USER MOD reduce.3.24.130724 H: found=0, std=0, add=1866, rem=0, adj=81 USER MOD reduce.3.24.130724 removed 1864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 74 SER OG : rot 89:sc= 1.87 USER MOD Set 1.2: B 78 LYS NZ :NH3+ -151:sc= 0.133! (180deg=-0.575!) USER MOD Set 2.1: B 56 HIS : no HD1:sc= 0.195 K(o=0.29,f=-1.6) USER MOD Set 2.2: B 60 CYS SG : rot -126:sc= -0.989 USER MOD Set 2.3: B 97 MET CE :methyl -154:sc= -0.386 (180deg=-0.684) USER MOD Set 2.4: B 100 THR OG1 : rot -73:sc= 1.47 USER MOD Set 3.1: B 32 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.08) USER MOD Set 3.2: B 36 LYS NZ :NH3+ 151:sc= 1.3 (180deg=1.21) USER MOD Set 4.1: A 56 HIS : no HD1:sc= 0 X(o=0.64,f=0.56) USER MOD Set 4.2: A 60 CYS SG : rot -133:sc= -0.294 USER MOD Set 4.3: A 97 MET CE :methyl -151:sc= -0.351 (180deg=-0.61) USER MOD Set 4.4: A 100 THR OG1 : rot -79:sc= 1.29 USER MOD Set 5.1: A 18 TYR OH : rot 166:sc= 0.0338 USER MOD Set 5.2: A 38 SER OG : rot -80:sc= 0.535 USER MOD Set 5.3: A 112 LYS NZ :NH3+ 180:sc= 1.54 (180deg=1.02) USER MOD Set 6.1: A 32 LYS NZ :NH3+ -154:sc= 2.34 (180deg=1.93) USER MOD Set 6.2: A 36 LYS NZ :NH3+ 153:sc= 1.29 (180deg=1.08) USER MOD Set 7.1: A 12 LYS NZ :NH3+ -179:sc= 1.19 (180deg=-0.0126) USER MOD Set 7.2: A 62 SER OG : rot -99:sc= 1.05 USER MOD Set 8.1: A 10 HIS : +bothHN:sc= 1.04 K(o=-1.3,f=-6.8!) USER MOD Set 8.2: A 64 ASN : amide:sc= -2.35! K(o=-1.3!,f=-6.8) USER MOD Set 9.1: A 7 GLN : amide:sc= 0 K(o=-0.035,f=-1.1) USER MOD Set 9.2: B 76 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=-0.085) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= 0.00327 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -3:sc= 1.23 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0645 USER MOD Single : A 13 MET CE :methyl 164:sc= 0 (180deg=-0.687) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00303 USER MOD Single : A 19 THR OG1 : rot 158:sc= -3.24! USER MOD Single : A 24 GLN : amide:sc= -0.782 K(o=-0.78,f=-2.6!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00439 USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= 1.18 (180deg=1.08) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.7 K(o=0.7,f=-1.2) USER MOD Single : A 46 TYR OH : rot -124:sc= 1.18 USER MOD Single : A 48 SER OG : rot -170:sc= -0.0405 USER MOD Single : A 49 THR OG1 : rot -61:sc= 1.17 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.235 F(o=-4.2!,f=-0.23) USER MOD Single : A 58 SER OG : rot 61:sc= 1.21 USER MOD Single : A 59 SER OG : rot 73:sc= 0.044 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 176:sc= 0.349 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0.888 (180deg=0.682) USER MOD Single : A 74 SER OG : rot -44:sc= 0.218 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 78 LYS NZ :NH3+ 150:sc= 0.0568 (180deg=-1.19) USER MOD Single : A 80 TYR OH : rot -165:sc= 0.694 USER MOD Single : A 82 TYR OH : rot -135:sc= 1.11 USER MOD Single : A 89 ASN : amide:sc= -0.0635 K(o=-0.063,f=-1.7!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.373 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.17) USER MOD Single : A 114 THR OG1 : rot 165:sc= 0.407 USER MOD Single : A 115 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.53) USER MOD Single : A 116 MET CE :methyl 160:sc= 0 (180deg=-0.533) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 80:sc= 0.407 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 139:sc= 0.0345 (180deg=0) USER MOD Single : B 5 CYS SG : rot 180:sc= 0 USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 7 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : B 10 HIS : no HE2:sc= 0.00113 X(o=0.0011,f=-0.034) USER MOD Single : B 11 SER OG : rot 180:sc= 0.0187 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot -10:sc= 0.907 USER MOD Single : B 18 TYR OH : rot -92:sc= 1.34 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0.0558 USER MOD Single : B 24 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.37) USER MOD Single : B 27 SER OG : rot 180:sc= 0.00955 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 SER OG : rot 50:sc= 0.387 USER MOD Single : B 40 TYR OH : rot 180:sc= 0 USER MOD Single : B 43 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.23) USER MOD Single : B 46 TYR OH : rot -103:sc= 0.581 USER MOD Single : B 48 SER OG : rot -129:sc= 0.675 USER MOD Single : B 49 THR OG1 : rot 180:sc= -0.559 USER MOD Single : B 51 GLN :FLIP amide:sc= -0.505 F(o=-1.3,f=-0.5) USER MOD Single : B 58 SER OG : rot 68:sc= 1.19 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 64 ASN : amide:sc= -1.75! X(o=-1.7!,f=-1.4) USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 CYS SG : rot -50:sc= -2.81! USER MOD Single : B 72 LYS NZ :NH3+ 134:sc= 1.06 (180deg=-0.0438) USER MOD Single : B 80 TYR OH : rot -143:sc= 1.19 USER MOD Single : B 82 TYR OH : rot -130:sc= 1.29 USER MOD Single : B 89 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : B 90 SER OG : rot 180:sc= 0 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -163:sc= 1.05 (180deg=0.903) USER MOD Single : B 112 LYS NZ :NH3+ 145:sc= -0.241 (180deg=-1.31!) USER MOD Single : B 114 THR OG1 : rot 0:sc= -2.4! USER MOD Single : B 115 ASN : amide:sc= -0.426 K(o=-0.43,f=-2.4!) USER MOD Single : B 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 120 SER OG : rot 31:sc= 0.165 USER MOD Single : B 121 SER OG : rot 46:sc= 0.172 USER MOD Single : B 122 THR OG1 : rot 46:sc= 0.278 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.176 21.045 7.925 1.00 11.44 N ATOM 2 CA ALA A 1 2.044 20.150 8.138 1.00 23.41 C ATOM 3 C ALA A 1 1.026 20.283 7.014 1.00 4.21 C ATOM 4 O ALA A 1 0.873 19.377 6.196 1.00 70.33 O ATOM 5 CB ALA A 1 1.402 20.405 9.488 1.00 33.43 C ATOM 0 H1 ALA A 1 3.856 20.936 8.704 1.00 11.44 H new ATOM 0 H2 ALA A 1 3.640 20.809 7.025 1.00 11.44 H new ATOM 0 H3 ALA A 1 2.840 22.029 7.894 1.00 11.44 H new ATOM 0 HA ALA A 1 2.417 19.126 8.131 1.00 23.41 H new ATOM 0 HB1 ALA A 1 0.560 19.726 9.625 1.00 33.43 H new ATOM 0 HB2 ALA A 1 2.135 20.237 10.277 1.00 33.43 H new ATOM 0 HB3 ALA A 1 1.048 21.435 9.534 1.00 33.43 H new ATOM 13 N ILE A 2 0.344 21.406 6.951 1.00 35.31 N ATOM 14 CA ILE A 2 -0.652 21.608 5.928 1.00 65.21 C ATOM 15 C ILE A 2 -0.069 22.340 4.726 1.00 43.14 C ATOM 16 O ILE A 2 0.306 23.518 4.803 1.00 41.02 O ATOM 17 CB ILE A 2 -1.941 22.315 6.458 1.00 73.31 C ATOM 18 CG1 ILE A 2 -1.611 23.658 7.150 1.00 11.51 C ATOM 19 CG2 ILE A 2 -2.705 21.387 7.400 1.00 71.23 C ATOM 20 CD1 ILE A 2 -2.825 24.430 7.633 1.00 75.44 C ATOM 0 H ILE A 2 0.462 22.189 7.594 1.00 35.31 H new ATOM 0 HA ILE A 2 -0.963 20.615 5.603 1.00 65.21 H new ATOM 0 HB ILE A 2 -2.576 22.541 5.602 1.00 73.31 H new ATOM 0 HG12 ILE A 2 -0.957 23.463 8.000 1.00 11.51 H new ATOM 0 HG13 ILE A 2 -1.051 24.283 6.454 1.00 11.51 H new ATOM 0 HG21 ILE A 2 -3.600 21.892 7.762 1.00 71.23 H new ATOM 0 HG22 ILE A 2 -2.991 20.481 6.866 1.00 71.23 H new ATOM 0 HG23 ILE A 2 -2.070 21.124 8.246 1.00 71.23 H new ATOM 0 HD11 ILE A 2 -2.502 25.358 8.105 1.00 75.44 H new ATOM 0 HD12 ILE A 2 -3.471 24.660 6.786 1.00 75.44 H new ATOM 0 HD13 ILE A 2 -3.375 23.828 8.356 1.00 75.44 H new ATOM 32 N ALA A 3 0.046 21.630 3.641 1.00 50.23 N ATOM 33 CA ALA A 3 0.560 22.165 2.419 1.00 15.01 C ATOM 34 C ALA A 3 -0.228 21.580 1.275 1.00 75.42 C ATOM 35 O ALA A 3 -0.529 20.380 1.290 1.00 23.23 O ATOM 36 CB ALA A 3 2.041 21.825 2.268 1.00 4.14 C ATOM 0 H ALA A 3 -0.220 20.647 3.582 1.00 50.23 H new ATOM 0 HA ALA A 3 0.464 23.251 2.422 1.00 15.01 H new ATOM 0 HB1 ALA A 3 2.416 22.240 1.332 1.00 4.14 H new ATOM 0 HB2 ALA A 3 2.599 22.250 3.103 1.00 4.14 H new ATOM 0 HB3 ALA A 3 2.167 20.742 2.261 1.00 4.14 H new ATOM 42 N PRO A 4 -0.619 22.405 0.288 1.00 11.30 N ATOM 43 CA PRO A 4 -1.347 21.932 -0.880 1.00 70.40 C ATOM 44 C PRO A 4 -0.519 20.934 -1.675 1.00 13.42 C ATOM 45 O PRO A 4 0.498 21.289 -2.277 1.00 5.12 O ATOM 46 CB PRO A 4 -1.598 23.200 -1.711 1.00 34.14 C ATOM 47 CG PRO A 4 -1.410 24.328 -0.759 1.00 42.34 C ATOM 48 CD PRO A 4 -0.393 23.861 0.237 1.00 12.22 C ATOM 0 HA PRO A 4 -2.268 21.416 -0.607 1.00 70.40 H new ATOM 0 HB2 PRO A 4 -0.901 23.269 -2.547 1.00 34.14 H new ATOM 0 HB3 PRO A 4 -2.603 23.203 -2.133 1.00 34.14 H new ATOM 0 HG2 PRO A 4 -1.066 25.223 -1.277 1.00 42.34 H new ATOM 0 HG3 PRO A 4 -2.348 24.585 -0.268 1.00 42.34 H new ATOM 0 HD2 PRO A 4 0.622 24.101 -0.081 1.00 12.22 H new ATOM 0 HD3 PRO A 4 -0.540 24.326 1.212 1.00 12.22 H new ATOM 56 N CYS A 5 -0.920 19.697 -1.627 1.00 40.34 N ATOM 57 CA CYS A 5 -0.244 18.649 -2.344 1.00 63.02 C ATOM 58 C CYS A 5 -1.196 18.011 -3.336 1.00 52.55 C ATOM 59 O CYS A 5 -0.900 16.978 -3.946 1.00 41.12 O ATOM 60 CB CYS A 5 0.332 17.619 -1.361 1.00 73.53 C ATOM 61 SG CYS A 5 -0.873 16.918 -0.201 1.00 35.21 S ATOM 0 H CYS A 5 -1.727 19.383 -1.089 1.00 40.34 H new ATOM 0 HA CYS A 5 0.592 19.069 -2.904 1.00 63.02 H new ATOM 0 HB2 CYS A 5 0.782 16.806 -1.931 1.00 73.53 H new ATOM 0 HB3 CYS A 5 1.133 18.090 -0.791 1.00 73.53 H new ATOM 0 HG CYS A 5 -0.279 16.062 0.577 1.00 35.21 H new ATOM 67 N MET A 6 -2.330 18.643 -3.512 1.00 43.00 N ATOM 68 CA MET A 6 -3.316 18.151 -4.420 1.00 72.01 C ATOM 69 C MET A 6 -3.221 18.871 -5.738 1.00 11.42 C ATOM 70 O MET A 6 -2.732 20.011 -5.814 1.00 13.02 O ATOM 71 CB MET A 6 -4.754 18.250 -3.825 1.00 63.42 C ATOM 72 CG MET A 6 -5.292 19.669 -3.532 1.00 34.40 C ATOM 73 SD MET A 6 -5.666 20.652 -5.012 1.00 2.11 S ATOM 74 CE MET A 6 -6.209 22.190 -4.275 1.00 4.34 C ATOM 0 H MET A 6 -2.587 19.505 -3.031 1.00 43.00 H new ATOM 0 HA MET A 6 -3.115 17.093 -4.589 1.00 72.01 H new ATOM 0 HB2 MET A 6 -5.442 17.762 -4.516 1.00 63.42 H new ATOM 0 HB3 MET A 6 -4.777 17.680 -2.896 1.00 63.42 H new ATOM 0 HG2 MET A 6 -6.196 19.584 -2.930 1.00 34.40 H new ATOM 0 HG3 MET A 6 -4.558 20.205 -2.931 1.00 34.40 H new ATOM 0 HE1 MET A 6 -6.474 22.897 -5.061 1.00 4.34 H new ATOM 0 HE2 MET A 6 -7.079 22.004 -3.645 1.00 4.34 H new ATOM 0 HE3 MET A 6 -5.405 22.607 -3.669 1.00 4.34 H new ATOM 84 N GLN A 7 -3.648 18.206 -6.754 1.00 30.30 N ATOM 85 CA GLN A 7 -3.754 18.744 -8.069 1.00 55.02 C ATOM 86 C GLN A 7 -5.120 18.329 -8.553 1.00 2.23 C ATOM 87 O GLN A 7 -5.335 17.158 -8.822 1.00 45.32 O ATOM 88 CB GLN A 7 -2.644 18.202 -8.986 1.00 12.02 C ATOM 89 CG GLN A 7 -1.229 18.480 -8.477 1.00 65.33 C ATOM 90 CD GLN A 7 -0.145 17.983 -9.413 1.00 2.14 C ATOM 91 OE1 GLN A 7 -0.324 17.941 -10.625 1.00 44.42 O ATOM 92 NE2 GLN A 7 0.980 17.611 -8.865 1.00 12.04 N ATOM 0 H GLN A 7 -3.946 17.232 -6.691 1.00 30.30 H new ATOM 0 HA GLN A 7 -3.635 19.827 -8.075 1.00 55.02 H new ATOM 0 HB2 GLN A 7 -2.774 17.126 -9.100 1.00 12.02 H new ATOM 0 HB3 GLN A 7 -2.757 18.643 -9.976 1.00 12.02 H new ATOM 0 HG2 GLN A 7 -1.108 19.553 -8.330 1.00 65.33 H new ATOM 0 HG3 GLN A 7 -1.102 18.008 -7.503 1.00 65.33 H new ATOM 0 HE21 GLN A 7 1.095 17.659 -7.853 1.00 12.04 H new ATOM 0 HE22 GLN A 7 1.744 17.272 -9.449 1.00 12.04 H new ATOM 101 N THR A 8 -6.030 19.296 -8.597 1.00 42.15 N ATOM 102 CA THR A 8 -7.477 19.122 -8.852 1.00 63.41 C ATOM 103 C THR A 8 -8.170 18.462 -7.644 1.00 24.02 C ATOM 104 O THR A 8 -7.914 17.306 -7.320 1.00 24.44 O ATOM 105 CB THR A 8 -7.868 18.426 -10.227 1.00 63.11 C ATOM 106 OG1 THR A 8 -7.356 17.087 -10.332 1.00 32.32 O ATOM 107 CG2 THR A 8 -7.367 19.247 -11.401 1.00 45.00 C ATOM 0 H THR A 8 -5.779 20.274 -8.450 1.00 42.15 H new ATOM 0 HA THR A 8 -7.859 20.135 -8.976 1.00 63.41 H new ATOM 0 HB THR A 8 -8.956 18.371 -10.248 1.00 63.11 H new ATOM 0 HG1 THR A 8 -6.813 16.881 -9.542 1.00 32.32 H new ATOM 0 HG21 THR A 8 -7.644 18.755 -12.333 1.00 45.00 H new ATOM 0 HG22 THR A 8 -7.815 20.240 -11.368 1.00 45.00 H new ATOM 0 HG23 THR A 8 -6.282 19.336 -11.346 1.00 45.00 H new ATOM 115 N THR A 9 -9.016 19.225 -6.971 1.00 21.52 N ATOM 116 CA THR A 9 -9.708 18.772 -5.775 1.00 34.22 C ATOM 117 C THR A 9 -10.565 17.522 -6.063 1.00 54.43 C ATOM 118 O THR A 9 -11.286 17.466 -7.069 1.00 65.12 O ATOM 119 CB THR A 9 -10.617 19.903 -5.236 1.00 70.10 C ATOM 120 OG1 THR A 9 -9.830 21.090 -4.992 1.00 43.02 O ATOM 121 CG2 THR A 9 -11.312 19.492 -3.949 1.00 22.53 C ATOM 0 H THR A 9 -9.243 20.182 -7.241 1.00 21.52 H new ATOM 0 HA THR A 9 -8.956 18.511 -5.030 1.00 34.22 H new ATOM 0 HB THR A 9 -11.378 20.106 -5.989 1.00 70.10 H new ATOM 0 HG1 THR A 9 -10.410 21.803 -4.653 1.00 43.02 H new ATOM 0 HG21 THR A 9 -11.942 20.310 -3.599 1.00 22.53 H new ATOM 0 HG22 THR A 9 -11.929 18.612 -4.133 1.00 22.53 H new ATOM 0 HG23 THR A 9 -10.565 19.259 -3.190 1.00 22.53 H new ATOM 129 N HIS A 10 -10.464 16.528 -5.199 1.00 41.44 N ATOM 130 CA HIS A 10 -11.250 15.317 -5.339 1.00 52.20 C ATOM 131 C HIS A 10 -12.650 15.579 -4.792 1.00 24.30 C ATOM 132 O HIS A 10 -12.794 16.059 -3.670 1.00 41.34 O ATOM 133 CB HIS A 10 -10.580 14.162 -4.584 1.00 53.32 C ATOM 134 CG HIS A 10 -11.267 12.837 -4.739 1.00 74.13 C ATOM 135 ND1 HIS A 10 -12.040 12.271 -3.760 1.00 52.41 N ATOM 136 CD2 HIS A 10 -11.264 11.959 -5.763 1.00 70.23 C ATOM 137 CE1 HIS A 10 -12.481 11.105 -4.170 1.00 61.40 C ATOM 138 NE2 HIS A 10 -12.027 10.892 -5.381 1.00 74.42 N ATOM 0 H HIS A 10 -9.843 16.537 -4.390 1.00 41.44 H new ATOM 0 HA HIS A 10 -11.318 15.036 -6.390 1.00 52.20 H new ATOM 0 HB2 HIS A 10 -9.551 14.066 -4.931 1.00 53.32 H new ATOM 0 HB3 HIS A 10 -10.537 14.413 -3.524 1.00 53.32 H new ATOM 0 HD1 HIS A 10 -12.242 12.691 -2.853 1.00 52.41 H new ATOM 0 HD2 HIS A 10 -10.754 12.077 -6.708 1.00 70.23 H new ATOM 0 HE1 HIS A 10 -13.111 10.434 -3.605 1.00 61.40 H new ATOM 0 HE2 HIS A 10 -12.213 10.064 -5.947 1.00 74.42 H new ATOM 147 N SER A 11 -13.657 15.269 -5.578 1.00 62.03 N ATOM 148 CA SER A 11 -15.026 15.546 -5.202 1.00 1.14 C ATOM 149 C SER A 11 -15.530 14.567 -4.118 1.00 64.22 C ATOM 150 O SER A 11 -14.897 13.516 -3.855 1.00 32.32 O ATOM 151 CB SER A 11 -15.922 15.521 -6.446 1.00 54.30 C ATOM 152 OG SER A 11 -17.257 15.895 -6.148 1.00 73.54 O ATOM 0 H SER A 11 -13.552 14.821 -6.489 1.00 62.03 H new ATOM 0 HA SER A 11 -15.069 16.543 -4.764 1.00 1.14 H new ATOM 0 HB2 SER A 11 -15.516 16.197 -7.199 1.00 54.30 H new ATOM 0 HB3 SER A 11 -15.914 14.520 -6.878 1.00 54.30 H new ATOM 0 HG SER A 11 -17.795 15.868 -6.967 1.00 73.54 H new ATOM 158 N LYS A 12 -16.681 14.918 -3.517 1.00 13.14 N ATOM 159 CA LYS A 12 -17.309 14.207 -2.393 1.00 53.44 C ATOM 160 C LYS A 12 -16.472 14.330 -1.125 1.00 74.14 C ATOM 161 O LYS A 12 -16.839 15.048 -0.185 1.00 21.34 O ATOM 162 CB LYS A 12 -17.637 12.731 -2.701 1.00 64.04 C ATOM 163 CG LYS A 12 -18.653 12.512 -3.813 1.00 32.41 C ATOM 164 CD LYS A 12 -19.026 11.040 -3.912 1.00 1.11 C ATOM 165 CE LYS A 12 -20.077 10.773 -4.984 1.00 12.03 C ATOM 166 NZ LYS A 12 -19.582 11.047 -6.349 1.00 31.44 N ATOM 0 H LYS A 12 -17.217 15.734 -3.812 1.00 13.14 H new ATOM 0 HA LYS A 12 -18.267 14.700 -2.227 1.00 53.44 H new ATOM 0 HB2 LYS A 12 -16.713 12.218 -2.968 1.00 64.04 H new ATOM 0 HB3 LYS A 12 -18.011 12.261 -1.791 1.00 64.04 H new ATOM 0 HG2 LYS A 12 -19.546 13.107 -3.620 1.00 32.41 H new ATOM 0 HG3 LYS A 12 -18.241 12.853 -4.763 1.00 32.41 H new ATOM 0 HD2 LYS A 12 -18.132 10.456 -4.131 1.00 1.11 H new ATOM 0 HD3 LYS A 12 -19.401 10.698 -2.947 1.00 1.11 H new ATOM 0 HE2 LYS A 12 -20.399 9.734 -4.921 1.00 12.03 H new ATOM 0 HE3 LYS A 12 -20.954 11.391 -4.789 1.00 12.03 H new ATOM 0 HZ1 LYS A 12 -20.341 10.866 -7.036 1.00 31.44 H new ATOM 0 HZ2 LYS A 12 -19.284 12.041 -6.417 1.00 31.44 H new ATOM 0 HZ3 LYS A 12 -18.772 10.428 -6.556 1.00 31.44 H new ATOM 180 N MET A 13 -15.354 13.672 -1.105 1.00 40.23 N ATOM 181 CA MET A 13 -14.463 13.730 0.011 1.00 0.40 C ATOM 182 C MET A 13 -13.110 14.145 -0.512 1.00 10.40 C ATOM 183 O MET A 13 -12.541 13.479 -1.391 1.00 74.15 O ATOM 184 CB MET A 13 -14.407 12.384 0.740 1.00 23.11 C ATOM 185 CG MET A 13 -13.604 12.419 2.022 1.00 51.33 C ATOM 186 SD MET A 13 -13.641 10.856 2.919 1.00 72.54 S ATOM 187 CE MET A 13 -12.661 11.301 4.351 1.00 50.01 C ATOM 0 H MET A 13 -15.033 13.076 -1.868 1.00 40.23 H new ATOM 0 HA MET A 13 -14.812 14.456 0.745 1.00 0.40 H new ATOM 0 HB2 MET A 13 -15.423 12.061 0.967 1.00 23.11 H new ATOM 0 HB3 MET A 13 -13.977 11.637 0.073 1.00 23.11 H new ATOM 0 HG2 MET A 13 -12.570 12.674 1.790 1.00 51.33 H new ATOM 0 HG3 MET A 13 -13.991 13.210 2.665 1.00 51.33 H new ATOM 0 HE1 MET A 13 -12.811 10.562 5.138 1.00 50.01 H new ATOM 0 HE2 MET A 13 -11.607 11.329 4.076 1.00 50.01 H new ATOM 0 HE3 MET A 13 -12.968 12.283 4.711 1.00 50.01 H new ATOM 197 N THR A 14 -12.615 15.244 -0.012 1.00 2.52 N ATOM 198 CA THR A 14 -11.400 15.833 -0.519 1.00 53.55 C ATOM 199 C THR A 14 -10.151 15.136 -0.008 1.00 22.32 C ATOM 200 O THR A 14 -9.128 15.108 -0.688 1.00 53.42 O ATOM 201 CB THR A 14 -11.344 17.325 -0.156 1.00 41.11 C ATOM 202 OG1 THR A 14 -11.495 17.469 1.263 1.00 12.10 O ATOM 203 CG2 THR A 14 -12.455 18.089 -0.851 1.00 62.44 C ATOM 0 H THR A 14 -13.041 15.759 0.759 1.00 2.52 H new ATOM 0 HA THR A 14 -11.419 15.711 -1.602 1.00 53.55 H new ATOM 0 HB THR A 14 -10.384 17.728 -0.480 1.00 41.11 H new ATOM 0 HG1 THR A 14 -11.458 18.419 1.501 1.00 12.10 H new ATOM 0 HG21 THR A 14 -12.397 19.143 -0.580 1.00 62.44 H new ATOM 0 HG22 THR A 14 -12.347 17.986 -1.931 1.00 62.44 H new ATOM 0 HG23 THR A 14 -13.420 17.688 -0.542 1.00 62.44 H new ATOM 211 N ALA A 15 -10.230 14.577 1.165 1.00 40.54 N ATOM 212 CA ALA A 15 -9.086 13.961 1.767 1.00 51.34 C ATOM 213 C ALA A 15 -9.389 12.540 2.188 1.00 42.14 C ATOM 214 O ALA A 15 -10.393 11.962 1.793 1.00 52.44 O ATOM 215 CB ALA A 15 -8.623 14.790 2.951 1.00 50.14 C ATOM 0 H ALA A 15 -11.081 14.536 1.726 1.00 40.54 H new ATOM 0 HA ALA A 15 -8.284 13.918 1.030 1.00 51.34 H new ATOM 0 HB1 ALA A 15 -7.752 14.319 3.407 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -8.358 15.792 2.612 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -9.426 14.856 3.685 1.00 50.14 H new ATOM 221 N GLY A 16 -8.507 11.994 2.967 1.00 11.13 N ATOM 222 CA GLY A 16 -8.618 10.658 3.449 1.00 74.42 C ATOM 223 C GLY A 16 -7.292 10.267 3.995 1.00 63.40 C ATOM 224 O GLY A 16 -6.613 11.129 4.578 1.00 74.24 O ATOM 0 H GLY A 16 -7.671 12.480 3.291 1.00 11.13 H new ATOM 0 HA2 GLY A 16 -9.385 10.592 4.221 1.00 74.42 H new ATOM 0 HA3 GLY A 16 -8.915 9.984 2.645 1.00 74.42 H new ATOM 228 N ALA A 17 -6.916 9.011 3.813 1.00 12.41 N ATOM 229 CA ALA A 17 -5.589 8.486 4.196 1.00 33.31 C ATOM 230 C ALA A 17 -5.412 8.327 5.681 1.00 23.45 C ATOM 231 O ALA A 17 -6.027 9.038 6.487 1.00 13.21 O ATOM 232 CB ALA A 17 -4.443 9.322 3.604 1.00 20.13 C ATOM 0 H ALA A 17 -7.523 8.308 3.391 1.00 12.41 H new ATOM 0 HA ALA A 17 -5.545 7.486 3.764 1.00 33.31 H new ATOM 0 HB1 ALA A 17 -3.487 8.899 3.912 1.00 20.13 H new ATOM 0 HB2 ALA A 17 -4.510 9.313 2.516 1.00 20.13 H new ATOM 0 HB3 ALA A 17 -4.518 10.348 3.963 1.00 20.13 H new ATOM 238 N TYR A 18 -4.582 7.383 6.042 1.00 35.03 N ATOM 239 CA TYR A 18 -4.232 7.166 7.406 1.00 34.24 C ATOM 240 C TYR A 18 -2.953 7.946 7.635 1.00 52.34 C ATOM 241 O TYR A 18 -2.606 8.830 6.856 1.00 31.25 O ATOM 242 CB TYR A 18 -3.917 5.687 7.665 1.00 71.53 C ATOM 243 CG TYR A 18 -4.964 4.671 7.264 1.00 1.43 C ATOM 244 CD1 TYR A 18 -6.184 4.578 7.923 1.00 22.45 C ATOM 245 CD2 TYR A 18 -4.703 3.771 6.243 1.00 74.30 C ATOM 246 CE1 TYR A 18 -7.113 3.613 7.569 1.00 1.34 C ATOM 247 CE2 TYR A 18 -5.614 2.803 5.892 1.00 5.44 C ATOM 248 CZ TYR A 18 -6.813 2.726 6.553 1.00 53.13 C ATOM 249 OH TYR A 18 -7.702 1.738 6.216 1.00 13.41 O ATOM 0 H TYR A 18 -4.132 6.744 5.387 1.00 35.03 H new ATOM 0 HA TYR A 18 -5.052 7.469 8.057 1.00 34.24 H new ATOM 0 HB2 TYR A 18 -2.993 5.443 7.141 1.00 71.53 H new ATOM 0 HB3 TYR A 18 -3.721 5.566 8.730 1.00 71.53 H new ATOM 0 HD1 TYR A 18 -6.411 5.268 8.722 1.00 22.45 H new ATOM 0 HD2 TYR A 18 -3.764 3.831 5.712 1.00 74.30 H new ATOM 0 HE1 TYR A 18 -8.062 3.555 8.082 1.00 1.34 H new ATOM 0 HE2 TYR A 18 -5.386 2.106 5.099 1.00 5.44 H new ATOM 0 HH TYR A 18 -7.443 1.344 5.357 1.00 13.41 H new ATOM 259 N THR A 19 -2.267 7.659 8.688 1.00 61.21 N ATOM 260 CA THR A 19 -0.986 8.218 8.867 1.00 64.24 C ATOM 261 C THR A 19 0.028 7.099 8.736 1.00 31.51 C ATOM 262 O THR A 19 0.487 6.519 9.735 1.00 2.14 O ATOM 263 CB THR A 19 -0.857 8.919 10.223 1.00 30.30 C ATOM 264 OG1 THR A 19 -1.936 9.870 10.343 1.00 71.52 O ATOM 265 CG2 THR A 19 0.479 9.652 10.328 1.00 25.13 C ATOM 0 H THR A 19 -2.579 7.039 9.435 1.00 61.21 H new ATOM 0 HA THR A 19 -0.810 8.982 8.110 1.00 64.24 H new ATOM 0 HB THR A 19 -0.904 8.178 11.021 1.00 30.30 H new ATOM 0 HG1 THR A 19 -2.094 10.068 11.290 1.00 71.52 H new ATOM 0 HG21 THR A 19 0.549 10.143 11.299 1.00 25.13 H new ATOM 0 HG22 THR A 19 1.295 8.937 10.222 1.00 25.13 H new ATOM 0 HG23 THR A 19 0.547 10.400 9.538 1.00 25.13 H new ATOM 273 N GLU A 20 0.252 6.686 7.515 1.00 71.53 N ATOM 274 CA GLU A 20 1.206 5.669 7.259 1.00 44.25 C ATOM 275 C GLU A 20 2.517 6.246 6.759 1.00 44.34 C ATOM 276 O GLU A 20 2.637 6.640 5.622 1.00 33.13 O ATOM 277 CB GLU A 20 0.657 4.513 6.364 1.00 43.04 C ATOM 278 CG GLU A 20 0.199 4.878 4.948 1.00 61.13 C ATOM 279 CD GLU A 20 -1.006 5.792 4.874 1.00 22.14 C ATOM 280 OE1 GLU A 20 -0.824 7.009 4.919 1.00 35.02 O ATOM 281 OE2 GLU A 20 -2.143 5.290 4.738 1.00 22.52 O ATOM 0 H GLU A 20 -0.222 7.048 6.687 1.00 71.53 H new ATOM 0 HA GLU A 20 1.419 5.195 8.217 1.00 44.25 H new ATOM 0 HB2 GLU A 20 1.433 3.752 6.282 1.00 43.04 H new ATOM 0 HB3 GLU A 20 -0.185 4.055 6.883 1.00 43.04 H new ATOM 0 HG2 GLU A 20 1.029 5.355 4.427 1.00 61.13 H new ATOM 0 HG3 GLU A 20 -0.029 3.958 4.409 1.00 61.13 H new ATOM 288 N GLY A 21 3.484 6.311 7.649 1.00 63.31 N ATOM 289 CA GLY A 21 4.804 6.813 7.313 1.00 53.32 C ATOM 290 C GLY A 21 4.852 8.332 7.152 1.00 61.04 C ATOM 291 O GLY A 21 4.352 9.054 8.005 1.00 54.12 O ATOM 0 H GLY A 21 3.381 6.020 8.621 1.00 63.31 H new ATOM 0 HA2 GLY A 21 5.507 6.515 8.091 1.00 53.32 H new ATOM 0 HA3 GLY A 21 5.137 6.346 6.386 1.00 53.32 H new ATOM 295 N PRO A 22 5.480 8.825 6.057 1.00 3.32 N ATOM 296 CA PRO A 22 5.638 10.274 5.764 1.00 3.24 C ATOM 297 C PRO A 22 4.338 11.157 5.765 1.00 64.40 C ATOM 298 O PRO A 22 4.415 12.303 6.244 1.00 1.40 O ATOM 299 CB PRO A 22 6.320 10.298 4.394 1.00 4.30 C ATOM 300 CG PRO A 22 7.025 8.994 4.320 1.00 34.04 C ATOM 301 CD PRO A 22 6.134 8.005 5.018 1.00 33.11 C ATOM 0 HA PRO A 22 6.204 10.735 6.573 1.00 3.24 H new ATOM 0 HB2 PRO A 22 5.594 10.405 3.588 1.00 4.30 H new ATOM 0 HB3 PRO A 22 7.015 11.133 4.309 1.00 4.30 H new ATOM 0 HG2 PRO A 22 7.198 8.701 3.284 1.00 34.04 H new ATOM 0 HG3 PRO A 22 8.001 9.049 4.803 1.00 34.04 H new ATOM 0 HD2 PRO A 22 5.408 7.564 4.335 1.00 33.11 H new ATOM 0 HD3 PRO A 22 6.704 7.183 5.451 1.00 33.11 H new ATOM 309 N PRO A 23 3.150 10.691 5.182 1.00 44.21 N ATOM 310 CA PRO A 23 1.875 11.460 5.203 1.00 74.11 C ATOM 311 C PRO A 23 1.567 12.113 6.558 1.00 10.43 C ATOM 312 O PRO A 23 1.944 11.600 7.615 1.00 4.11 O ATOM 313 CB PRO A 23 0.835 10.397 4.882 1.00 54.05 C ATOM 314 CG PRO A 23 1.538 9.484 3.951 1.00 75.11 C ATOM 315 CD PRO A 23 2.968 9.423 4.432 1.00 53.33 C ATOM 0 HA PRO A 23 1.905 12.297 4.506 1.00 74.11 H new ATOM 0 HB2 PRO A 23 0.505 9.876 5.781 1.00 54.05 H new ATOM 0 HB3 PRO A 23 -0.052 10.832 4.422 1.00 54.05 H new ATOM 0 HG2 PRO A 23 1.082 8.494 3.956 1.00 75.11 H new ATOM 0 HG3 PRO A 23 1.486 9.854 2.927 1.00 75.11 H new ATOM 0 HD2 PRO A 23 3.138 8.555 5.069 1.00 53.33 H new ATOM 0 HD3 PRO A 23 3.666 9.349 3.599 1.00 53.33 H new ATOM 323 N GLN A 24 0.856 13.219 6.521 1.00 1.43 N ATOM 324 CA GLN A 24 0.601 13.996 7.712 1.00 74.14 C ATOM 325 C GLN A 24 -0.470 13.369 8.583 1.00 21.45 C ATOM 326 O GLN A 24 -1.501 12.896 8.079 1.00 32.25 O ATOM 327 CB GLN A 24 0.267 15.439 7.350 1.00 32.42 C ATOM 328 CG GLN A 24 1.442 16.162 6.737 1.00 12.30 C ATOM 329 CD GLN A 24 2.569 16.353 7.729 1.00 1.12 C ATOM 330 OE1 GLN A 24 2.339 16.509 8.930 1.00 71.34 O ATOM 331 NE2 GLN A 24 3.785 16.311 7.251 1.00 54.04 N ATOM 0 H GLN A 24 0.442 13.602 5.671 1.00 1.43 H new ATOM 0 HA GLN A 24 1.515 14.002 8.306 1.00 74.14 H new ATOM 0 HB2 GLN A 24 -0.569 15.452 6.651 1.00 32.42 H new ATOM 0 HB3 GLN A 24 -0.057 15.970 8.245 1.00 32.42 H new ATOM 0 HG2 GLN A 24 1.806 15.599 5.878 1.00 12.30 H new ATOM 0 HG3 GLN A 24 1.117 17.134 6.366 1.00 12.30 H new ATOM 0 HE21 GLN A 24 3.936 16.180 6.251 1.00 54.04 H new ATOM 0 HE22 GLN A 24 4.583 16.409 7.878 1.00 54.04 H new ATOM 340 N PRO A 25 -0.229 13.351 9.901 1.00 40.53 N ATOM 341 CA PRO A 25 -1.126 12.737 10.863 1.00 61.25 C ATOM 342 C PRO A 25 -2.500 13.395 10.923 1.00 43.22 C ATOM 343 O PRO A 25 -2.630 14.625 10.983 1.00 1.11 O ATOM 344 CB PRO A 25 -0.393 12.876 12.206 1.00 32.23 C ATOM 345 CG PRO A 25 0.588 13.975 12.000 1.00 32.41 C ATOM 346 CD PRO A 25 0.962 13.934 10.551 1.00 45.41 C ATOM 0 HA PRO A 25 -1.338 11.704 10.589 1.00 61.25 H new ATOM 0 HB2 PRO A 25 -1.088 13.114 13.012 1.00 32.23 H new ATOM 0 HB3 PRO A 25 0.107 11.947 12.480 1.00 32.23 H new ATOM 0 HG2 PRO A 25 0.153 14.939 12.263 1.00 32.41 H new ATOM 0 HG3 PRO A 25 1.465 13.838 12.633 1.00 32.41 H new ATOM 0 HD2 PRO A 25 1.182 14.930 10.165 1.00 45.41 H new ATOM 0 HD3 PRO A 25 1.849 13.324 10.383 1.00 45.41 H new ATOM 354 N LEU A 26 -3.508 12.575 10.886 1.00 45.32 N ATOM 355 CA LEU A 26 -4.868 13.029 10.994 1.00 30.23 C ATOM 356 C LEU A 26 -5.540 12.487 12.240 1.00 25.02 C ATOM 357 O LEU A 26 -4.970 11.650 12.949 1.00 53.21 O ATOM 358 CB LEU A 26 -5.723 12.836 9.681 1.00 32.14 C ATOM 359 CG LEU A 26 -5.751 11.455 8.955 1.00 13.14 C ATOM 360 CD1 LEU A 26 -4.421 11.121 8.331 1.00 3.11 C ATOM 361 CD2 LEU A 26 -6.193 10.334 9.870 1.00 54.31 C ATOM 0 H LEU A 26 -3.412 11.565 10.779 1.00 45.32 H new ATOM 0 HA LEU A 26 -4.815 14.112 11.109 1.00 30.23 H new ATOM 0 HB2 LEU A 26 -6.754 13.092 9.927 1.00 32.14 H new ATOM 0 HB3 LEU A 26 -5.375 13.574 8.958 1.00 32.14 H new ATOM 0 HG LEU A 26 -6.490 11.549 8.159 1.00 13.14 H new ATOM 0 HD11 LEU A 26 -4.484 10.152 7.836 1.00 3.11 H new ATOM 0 HD12 LEU A 26 -4.160 11.886 7.599 1.00 3.11 H new ATOM 0 HD13 LEU A 26 -3.655 11.084 9.105 1.00 3.11 H new ATOM 0 HD21 LEU A 26 -6.196 9.394 9.318 1.00 54.31 H new ATOM 0 HD22 LEU A 26 -5.505 10.259 10.712 1.00 54.31 H new ATOM 0 HD23 LEU A 26 -7.197 10.541 10.240 1.00 54.31 H new ATOM 373 N SER A 27 -6.718 12.968 12.503 1.00 22.24 N ATOM 374 CA SER A 27 -7.454 12.619 13.689 1.00 4.32 C ATOM 375 C SER A 27 -8.018 11.202 13.628 1.00 33.11 C ATOM 376 O SER A 27 -8.344 10.685 12.549 1.00 41.20 O ATOM 377 CB SER A 27 -8.589 13.630 13.916 1.00 73.53 C ATOM 378 OG SER A 27 -9.340 13.324 15.084 1.00 20.13 O ATOM 0 H SER A 27 -7.205 13.624 11.893 1.00 22.24 H new ATOM 0 HA SER A 27 -6.757 12.652 14.526 1.00 4.32 H new ATOM 0 HB2 SER A 27 -8.171 14.633 14.005 1.00 73.53 H new ATOM 0 HB3 SER A 27 -9.250 13.636 13.049 1.00 73.53 H new ATOM 0 HG SER A 27 -10.052 13.988 15.198 1.00 20.13 H new ATOM 384 N ALA A 28 -8.073 10.578 14.797 1.00 61.43 N ATOM 385 CA ALA A 28 -8.726 9.286 15.012 1.00 53.22 C ATOM 386 C ALA A 28 -10.130 9.263 14.390 1.00 42.45 C ATOM 387 O ALA A 28 -10.564 8.241 13.876 1.00 50.14 O ATOM 388 CB ALA A 28 -8.815 9.000 16.497 1.00 14.40 C ATOM 0 H ALA A 28 -7.656 10.962 15.645 1.00 61.43 H new ATOM 0 HA ALA A 28 -8.128 8.515 14.526 1.00 53.22 H new ATOM 0 HB1 ALA A 28 -9.302 8.037 16.654 1.00 14.40 H new ATOM 0 HB2 ALA A 28 -7.812 8.973 16.923 1.00 14.40 H new ATOM 0 HB3 ALA A 28 -9.395 9.783 16.984 1.00 14.40 H new ATOM 394 N GLU A 29 -10.805 10.403 14.412 1.00 4.53 N ATOM 395 CA GLU A 29 -12.130 10.567 13.810 1.00 11.32 C ATOM 396 C GLU A 29 -12.043 10.265 12.310 1.00 23.40 C ATOM 397 O GLU A 29 -12.859 9.514 11.779 1.00 31.13 O ATOM 398 CB GLU A 29 -12.570 12.010 14.017 1.00 13.00 C ATOM 399 CG GLU A 29 -13.927 12.380 13.462 1.00 40.23 C ATOM 400 CD GLU A 29 -15.079 11.905 14.268 1.00 21.23 C ATOM 401 OE1 GLU A 29 -15.024 11.949 15.514 1.00 41.35 O ATOM 402 OE2 GLU A 29 -16.067 11.465 13.672 1.00 52.10 O ATOM 0 H GLU A 29 -10.449 11.252 14.852 1.00 4.53 H new ATOM 0 HA GLU A 29 -12.847 9.887 14.270 1.00 11.32 H new ATOM 0 HB2 GLU A 29 -12.569 12.218 15.087 1.00 13.00 H new ATOM 0 HB3 GLU A 29 -11.825 12.664 13.564 1.00 13.00 H new ATOM 0 HG2 GLU A 29 -13.985 13.465 13.375 1.00 40.23 H new ATOM 0 HG3 GLU A 29 -14.015 11.974 12.454 1.00 40.23 H new ATOM 409 N GLU A 30 -11.040 10.835 11.642 1.00 70.23 N ATOM 410 CA GLU A 30 -10.826 10.572 10.226 1.00 44.33 C ATOM 411 C GLU A 30 -10.485 9.131 9.988 1.00 14.33 C ATOM 412 O GLU A 30 -11.017 8.527 9.073 1.00 40.30 O ATOM 413 CB GLU A 30 -9.747 11.465 9.598 1.00 75.41 C ATOM 414 CG GLU A 30 -10.177 12.875 9.244 1.00 3.35 C ATOM 415 CD GLU A 30 -10.590 13.714 10.410 1.00 23.41 C ATOM 416 OE1 GLU A 30 -9.746 14.391 10.972 1.00 11.40 O ATOM 417 OE2 GLU A 30 -11.764 13.734 10.759 1.00 75.32 O ATOM 0 H GLU A 30 -10.368 11.478 12.060 1.00 70.23 H new ATOM 0 HA GLU A 30 -11.771 10.811 9.738 1.00 44.33 H new ATOM 0 HB2 GLU A 30 -8.906 11.525 10.288 1.00 75.41 H new ATOM 0 HB3 GLU A 30 -9.382 10.979 8.693 1.00 75.41 H new ATOM 0 HG2 GLU A 30 -9.355 13.372 8.729 1.00 3.35 H new ATOM 0 HG3 GLU A 30 -11.008 12.821 8.540 1.00 3.35 H new ATOM 424 N LYS A 31 -9.637 8.566 10.855 1.00 32.24 N ATOM 425 CA LYS A 31 -9.196 7.175 10.708 1.00 51.00 C ATOM 426 C LYS A 31 -10.394 6.259 10.788 1.00 75.31 C ATOM 427 O LYS A 31 -10.539 5.322 10.016 1.00 10.13 O ATOM 428 CB LYS A 31 -8.201 6.774 11.813 1.00 5.55 C ATOM 429 CG LYS A 31 -6.896 7.542 11.827 1.00 23.54 C ATOM 430 CD LYS A 31 -5.981 7.038 12.936 1.00 61.43 C ATOM 431 CE LYS A 31 -4.658 7.784 12.955 1.00 44.41 C ATOM 432 NZ LYS A 31 -3.764 7.298 14.027 1.00 42.12 N ATOM 0 H LYS A 31 -9.244 9.049 11.663 1.00 32.24 H new ATOM 0 HA LYS A 31 -8.699 7.085 9.742 1.00 51.00 H new ATOM 0 HB2 LYS A 31 -8.688 6.902 12.780 1.00 5.55 H new ATOM 0 HB3 LYS A 31 -7.976 5.713 11.707 1.00 5.55 H new ATOM 0 HG2 LYS A 31 -6.398 7.438 10.863 1.00 23.54 H new ATOM 0 HG3 LYS A 31 -7.096 8.604 11.969 1.00 23.54 H new ATOM 0 HD2 LYS A 31 -6.478 7.154 13.899 1.00 61.43 H new ATOM 0 HD3 LYS A 31 -5.796 5.973 12.799 1.00 61.43 H new ATOM 0 HE2 LYS A 31 -4.163 7.669 11.991 1.00 44.41 H new ATOM 0 HE3 LYS A 31 -4.844 8.849 13.093 1.00 44.41 H new ATOM 0 HZ1 LYS A 31 -2.808 7.682 13.883 1.00 42.12 H new ATOM 0 HZ2 LYS A 31 -4.127 7.611 14.950 1.00 42.12 H new ATOM 0 HZ3 LYS A 31 -3.727 6.259 14.004 1.00 42.12 H new ATOM 446 N LYS A 32 -11.262 6.570 11.720 1.00 74.12 N ATOM 447 CA LYS A 32 -12.406 5.842 11.973 1.00 43.04 C ATOM 448 C LYS A 32 -13.462 5.991 10.858 1.00 72.44 C ATOM 449 O LYS A 32 -14.119 5.019 10.499 1.00 63.54 O ATOM 450 CB LYS A 32 -12.852 6.213 13.387 1.00 11.01 C ATOM 451 CG LYS A 32 -14.178 5.738 13.829 1.00 73.41 C ATOM 452 CD LYS A 32 -15.253 6.630 13.309 1.00 32.01 C ATOM 453 CE LYS A 32 -15.037 8.036 13.729 1.00 11.40 C ATOM 454 NZ LYS A 32 -16.296 8.817 13.667 1.00 25.44 N ATOM 0 H LYS A 32 -11.153 7.380 12.331 1.00 74.12 H new ATOM 0 HA LYS A 32 -12.224 4.768 11.949 1.00 43.04 H new ATOM 0 HB2 LYS A 32 -12.108 5.831 14.086 1.00 11.01 H new ATOM 0 HB3 LYS A 32 -12.839 7.300 13.470 1.00 11.01 H new ATOM 0 HG2 LYS A 32 -14.341 4.719 13.478 1.00 73.41 H new ATOM 0 HG3 LYS A 32 -14.216 5.710 14.918 1.00 73.41 H new ATOM 0 HD2 LYS A 32 -15.281 6.573 12.221 1.00 32.01 H new ATOM 0 HD3 LYS A 32 -16.222 6.285 13.671 1.00 32.01 H new ATOM 0 HE2 LYS A 32 -14.643 8.058 14.745 1.00 11.40 H new ATOM 0 HE3 LYS A 32 -14.288 8.499 13.087 1.00 11.40 H new ATOM 0 HZ1 LYS A 32 -16.074 9.823 13.528 1.00 25.44 H new ATOM 0 HZ2 LYS A 32 -16.876 8.478 12.873 1.00 25.44 H new ATOM 0 HZ3 LYS A 32 -16.822 8.698 14.556 1.00 25.44 H new ATOM 468 N GLU A 33 -13.590 7.191 10.295 1.00 34.25 N ATOM 469 CA GLU A 33 -14.546 7.429 9.206 1.00 71.33 C ATOM 470 C GLU A 33 -14.112 6.766 7.901 1.00 24.21 C ATOM 471 O GLU A 33 -14.912 6.126 7.238 1.00 21.15 O ATOM 472 CB GLU A 33 -14.804 8.922 8.982 1.00 33.41 C ATOM 473 CG GLU A 33 -15.597 9.590 10.088 1.00 22.13 C ATOM 474 CD GLU A 33 -16.982 8.995 10.234 1.00 45.53 C ATOM 475 OE1 GLU A 33 -17.855 9.277 9.379 1.00 74.34 O ATOM 476 OE2 GLU A 33 -17.212 8.227 11.200 1.00 23.50 O ATOM 0 H GLU A 33 -13.049 8.011 10.570 1.00 34.25 H new ATOM 0 HA GLU A 33 -15.481 6.967 9.522 1.00 71.33 H new ATOM 0 HB2 GLU A 33 -13.847 9.433 8.878 1.00 33.41 H new ATOM 0 HB3 GLU A 33 -15.338 9.049 8.040 1.00 33.41 H new ATOM 0 HG2 GLU A 33 -15.059 9.490 11.031 1.00 22.13 H new ATOM 0 HG3 GLU A 33 -15.681 10.657 9.880 1.00 22.13 H new ATOM 483 N ILE A 34 -12.840 6.893 7.570 1.00 2.34 N ATOM 484 CA ILE A 34 -12.318 6.344 6.309 1.00 4.22 C ATOM 485 C ILE A 34 -12.346 4.823 6.308 1.00 2.30 C ATOM 486 O ILE A 34 -12.636 4.190 5.289 1.00 23.12 O ATOM 487 CB ILE A 34 -10.917 6.887 5.933 1.00 32.13 C ATOM 488 CG1 ILE A 34 -9.902 6.616 7.042 1.00 2.43 C ATOM 489 CG2 ILE A 34 -10.998 8.380 5.629 1.00 14.44 C ATOM 490 CD1 ILE A 34 -8.531 7.163 6.763 1.00 63.00 C ATOM 0 H ILE A 34 -12.144 7.367 8.146 1.00 2.34 H new ATOM 0 HA ILE A 34 -12.993 6.695 5.529 1.00 4.22 H new ATOM 0 HB ILE A 34 -10.577 6.364 5.039 1.00 32.13 H new ATOM 0 HG12 ILE A 34 -10.272 7.048 7.972 1.00 2.43 H new ATOM 0 HG13 ILE A 34 -9.828 5.540 7.197 1.00 2.43 H new ATOM 0 HG21 ILE A 34 -10.008 8.752 5.366 1.00 14.44 H new ATOM 0 HG22 ILE A 34 -11.681 8.545 4.796 1.00 14.44 H new ATOM 0 HG23 ILE A 34 -11.363 8.911 6.508 1.00 14.44 H new ATOM 0 HD11 ILE A 34 -7.869 6.929 7.597 1.00 63.00 H new ATOM 0 HD12 ILE A 34 -8.138 6.713 5.851 1.00 63.00 H new ATOM 0 HD13 ILE A 34 -8.589 8.244 6.638 1.00 63.00 H new ATOM 502 N ASP A 35 -12.104 4.242 7.467 1.00 14.24 N ATOM 503 CA ASP A 35 -12.104 2.794 7.622 1.00 12.25 C ATOM 504 C ASP A 35 -13.532 2.235 7.465 1.00 63.22 C ATOM 505 O ASP A 35 -13.725 1.095 7.091 1.00 23.43 O ATOM 506 CB ASP A 35 -11.496 2.417 8.973 1.00 41.14 C ATOM 507 CG ASP A 35 -11.458 0.931 9.227 1.00 53.30 C ATOM 508 OD1 ASP A 35 -10.708 0.219 8.557 1.00 74.03 O ATOM 509 OD2 ASP A 35 -12.161 0.469 10.134 1.00 50.23 O ATOM 0 H ASP A 35 -11.902 4.754 8.326 1.00 14.24 H new ATOM 0 HA ASP A 35 -11.491 2.348 6.839 1.00 12.25 H new ATOM 0 HB2 ASP A 35 -10.482 2.812 9.028 1.00 41.14 H new ATOM 0 HB3 ASP A 35 -12.069 2.898 9.766 1.00 41.14 H new ATOM 514 N LYS A 36 -14.522 3.084 7.718 1.00 72.53 N ATOM 515 CA LYS A 36 -15.934 2.711 7.537 1.00 24.03 C ATOM 516 C LYS A 36 -16.318 2.753 6.066 1.00 2.10 C ATOM 517 O LYS A 36 -17.168 1.995 5.609 1.00 75.31 O ATOM 518 CB LYS A 36 -16.867 3.696 8.224 1.00 34.22 C ATOM 519 CG LYS A 36 -16.829 3.775 9.718 1.00 15.33 C ATOM 520 CD LYS A 36 -17.770 4.883 10.140 1.00 20.53 C ATOM 521 CE LYS A 36 -17.893 5.019 11.627 1.00 1.14 C ATOM 522 NZ LYS A 36 -18.759 6.170 11.978 1.00 52.40 N ATOM 0 H LYS A 36 -14.380 4.038 8.050 1.00 72.53 H new ATOM 0 HA LYS A 36 -16.035 1.711 7.959 1.00 24.03 H new ATOM 0 HB2 LYS A 36 -16.651 4.690 7.832 1.00 34.22 H new ATOM 0 HB3 LYS A 36 -17.887 3.451 7.928 1.00 34.22 H new ATOM 0 HG2 LYS A 36 -17.132 2.826 10.160 1.00 15.33 H new ATOM 0 HG3 LYS A 36 -15.816 3.979 10.065 1.00 15.33 H new ATOM 0 HD2 LYS A 36 -17.419 5.827 9.723 1.00 20.53 H new ATOM 0 HD3 LYS A 36 -18.756 4.694 9.716 1.00 20.53 H new ATOM 0 HE2 LYS A 36 -18.308 4.103 12.048 1.00 1.14 H new ATOM 0 HE3 LYS A 36 -16.905 5.153 12.068 1.00 1.14 H new ATOM 0 HZ1 LYS A 36 -19.202 6.002 12.904 1.00 52.40 H new ATOM 0 HZ2 LYS A 36 -18.185 7.036 12.021 1.00 52.40 H new ATOM 0 HZ3 LYS A 36 -19.499 6.281 11.255 1.00 52.40 H new ATOM 536 N ARG A 37 -15.694 3.656 5.335 1.00 51.52 N ATOM 537 CA ARG A 37 -16.074 3.957 3.954 1.00 52.52 C ATOM 538 C ARG A 37 -15.241 3.154 2.989 1.00 43.30 C ATOM 539 O ARG A 37 -15.249 3.387 1.784 1.00 71.35 O ATOM 540 CB ARG A 37 -15.878 5.444 3.703 1.00 33.22 C ATOM 541 CG ARG A 37 -16.627 6.304 4.691 1.00 70.14 C ATOM 542 CD ARG A 37 -16.332 7.771 4.519 1.00 65.13 C ATOM 543 NE ARG A 37 -16.912 8.548 5.618 1.00 1.52 N ATOM 544 CZ ARG A 37 -16.842 9.866 5.745 1.00 0.01 C ATOM 545 NH1 ARG A 37 -16.289 10.599 4.785 1.00 25.30 N ATOM 546 NH2 ARG A 37 -17.328 10.452 6.834 1.00 32.45 N ATOM 0 H ARG A 37 -14.906 4.207 5.676 1.00 51.52 H new ATOM 0 HA ARG A 37 -17.120 3.691 3.801 1.00 52.52 H new ATOM 0 HB2 ARG A 37 -14.815 5.680 3.754 1.00 33.22 H new ATOM 0 HB3 ARG A 37 -16.210 5.685 2.693 1.00 33.22 H new ATOM 0 HG2 ARG A 37 -17.698 6.136 4.575 1.00 70.14 H new ATOM 0 HG3 ARG A 37 -16.364 6.000 5.704 1.00 70.14 H new ATOM 0 HD2 ARG A 37 -15.254 7.929 4.485 1.00 65.13 H new ATOM 0 HD3 ARG A 37 -16.735 8.119 3.568 1.00 65.13 H new ATOM 0 HE ARG A 37 -17.410 8.033 6.344 1.00 1.52 H new ATOM 0 HH11 ARG A 37 -15.918 10.148 3.949 1.00 25.30 H new ATOM 0 HH12 ARG A 37 -16.236 11.613 4.884 1.00 25.30 H new ATOM 0 HH21 ARG A 37 -17.754 9.888 7.570 1.00 32.45 H new ATOM 0 HH22 ARG A 37 -17.275 11.466 6.934 1.00 32.45 H new ATOM 560 N SER A 38 -14.534 2.226 3.514 1.00 32.14 N ATOM 561 CA SER A 38 -13.734 1.385 2.729 1.00 3.24 C ATOM 562 C SER A 38 -14.254 -0.048 2.725 1.00 61.01 C ATOM 563 O SER A 38 -15.147 -0.408 3.507 1.00 53.23 O ATOM 564 CB SER A 38 -12.283 1.522 3.151 1.00 42.25 C ATOM 565 OG SER A 38 -12.139 1.429 4.546 1.00 0.12 O ATOM 0 H SER A 38 -14.498 2.031 4.515 1.00 32.14 H new ATOM 0 HA SER A 38 -13.789 1.696 1.686 1.00 3.24 H new ATOM 0 HB2 SER A 38 -11.689 0.745 2.671 1.00 42.25 H new ATOM 0 HB3 SER A 38 -11.892 2.480 2.807 1.00 42.25 H new ATOM 0 HG SER A 38 -12.375 2.287 4.957 1.00 0.12 H new ATOM 571 N VAL A 39 -13.708 -0.855 1.859 1.00 75.55 N ATOM 572 CA VAL A 39 -14.172 -2.209 1.686 1.00 71.43 C ATOM 573 C VAL A 39 -13.017 -3.165 1.604 1.00 51.32 C ATOM 574 O VAL A 39 -11.898 -2.771 1.274 1.00 62.04 O ATOM 575 CB VAL A 39 -15.058 -2.386 0.410 1.00 33.43 C ATOM 576 CG1 VAL A 39 -16.339 -1.582 0.507 1.00 62.15 C ATOM 577 CG2 VAL A 39 -14.290 -2.001 -0.844 1.00 4.33 C ATOM 0 H VAL A 39 -12.930 -0.596 1.252 1.00 75.55 H new ATOM 0 HA VAL A 39 -14.783 -2.430 2.561 1.00 71.43 H new ATOM 0 HB VAL A 39 -15.325 -3.441 0.345 1.00 33.43 H new ATOM 0 HG11 VAL A 39 -16.930 -1.729 -0.397 1.00 62.15 H new ATOM 0 HG12 VAL A 39 -16.912 -1.913 1.373 1.00 62.15 H new ATOM 0 HG13 VAL A 39 -16.098 -0.525 0.615 1.00 62.15 H new ATOM 0 HG21 VAL A 39 -14.929 -2.133 -1.717 1.00 4.33 H new ATOM 0 HG22 VAL A 39 -13.981 -0.958 -0.775 1.00 4.33 H new ATOM 0 HG23 VAL A 39 -13.409 -2.635 -0.940 1.00 4.33 H new ATOM 587 N TYR A 40 -13.307 -4.399 1.882 1.00 43.01 N ATOM 588 CA TYR A 40 -12.374 -5.506 1.785 1.00 24.11 C ATOM 589 C TYR A 40 -12.611 -6.221 0.489 1.00 74.50 C ATOM 590 O TYR A 40 -13.717 -6.670 0.237 1.00 13.01 O ATOM 591 CB TYR A 40 -12.618 -6.501 2.931 1.00 52.03 C ATOM 592 CG TYR A 40 -11.942 -7.878 2.752 1.00 33.40 C ATOM 593 CD1 TYR A 40 -10.591 -8.074 2.992 1.00 1.54 C ATOM 594 CD2 TYR A 40 -12.692 -8.978 2.337 1.00 62.50 C ATOM 595 CE1 TYR A 40 -10.009 -9.319 2.826 1.00 23.14 C ATOM 596 CE2 TYR A 40 -12.129 -10.218 2.171 1.00 74.44 C ATOM 597 CZ TYR A 40 -10.783 -10.388 2.417 1.00 11.40 C ATOM 598 OH TYR A 40 -10.206 -11.633 2.251 1.00 31.24 O ATOM 0 H TYR A 40 -14.234 -4.685 2.196 1.00 43.01 H new ATOM 0 HA TYR A 40 -11.355 -5.122 1.840 1.00 24.11 H new ATOM 0 HB2 TYR A 40 -12.263 -6.056 3.861 1.00 52.03 H new ATOM 0 HB3 TYR A 40 -13.692 -6.651 3.040 1.00 52.03 H new ATOM 0 HD1 TYR A 40 -9.982 -7.242 3.314 1.00 1.54 H new ATOM 0 HD2 TYR A 40 -13.746 -8.850 2.141 1.00 62.50 H new ATOM 0 HE1 TYR A 40 -8.954 -9.454 3.015 1.00 23.14 H new ATOM 0 HE2 TYR A 40 -12.734 -11.053 1.851 1.00 74.44 H new ATOM 0 HH TYR A 40 -10.888 -12.274 1.961 1.00 31.24 H new ATOM 608 N VAL A 41 -11.610 -6.306 -0.326 1.00 4.33 N ATOM 609 CA VAL A 41 -11.666 -7.062 -1.547 1.00 33.10 C ATOM 610 C VAL A 41 -10.675 -8.208 -1.425 1.00 33.00 C ATOM 611 O VAL A 41 -9.479 -7.979 -1.339 1.00 71.35 O ATOM 612 CB VAL A 41 -11.268 -6.183 -2.749 1.00 10.24 C ATOM 613 CG1 VAL A 41 -11.338 -6.964 -4.058 1.00 22.22 C ATOM 614 CG2 VAL A 41 -12.144 -4.947 -2.814 1.00 62.43 C ATOM 0 H VAL A 41 -10.714 -5.847 -0.165 1.00 4.33 H new ATOM 0 HA VAL A 41 -12.680 -7.428 -1.707 1.00 33.10 H new ATOM 0 HB VAL A 41 -10.234 -5.870 -2.607 1.00 10.24 H new ATOM 0 HG11 VAL A 41 -11.051 -6.314 -4.885 1.00 22.22 H new ATOM 0 HG12 VAL A 41 -10.657 -7.814 -4.011 1.00 22.22 H new ATOM 0 HG13 VAL A 41 -12.356 -7.322 -4.214 1.00 22.22 H new ATOM 0 HG21 VAL A 41 -11.850 -4.337 -3.668 1.00 62.43 H new ATOM 0 HG22 VAL A 41 -13.187 -5.245 -2.923 1.00 62.43 H new ATOM 0 HG23 VAL A 41 -12.026 -4.369 -1.898 1.00 62.43 H new ATOM 624 N GLY A 42 -11.159 -9.419 -1.386 1.00 41.53 N ATOM 625 CA GLY A 42 -10.274 -10.546 -1.210 1.00 41.31 C ATOM 626 C GLY A 42 -10.140 -11.417 -2.445 1.00 10.14 C ATOM 627 O GLY A 42 -10.910 -11.267 -3.408 1.00 5.34 O ATOM 0 H GLY A 42 -12.148 -9.653 -1.472 1.00 41.53 H new ATOM 0 HA2 GLY A 42 -9.287 -10.180 -0.926 1.00 41.31 H new ATOM 0 HA3 GLY A 42 -10.638 -11.157 -0.384 1.00 41.31 H new ATOM 631 N ASN A 43 -9.170 -12.346 -2.372 1.00 3.33 N ATOM 632 CA ASN A 43 -8.812 -13.337 -3.427 1.00 30.13 C ATOM 633 C ASN A 43 -8.175 -12.674 -4.670 1.00 21.01 C ATOM 634 O ASN A 43 -8.130 -13.244 -5.754 1.00 33.34 O ATOM 635 CB ASN A 43 -10.026 -14.216 -3.819 1.00 14.20 C ATOM 636 CG ASN A 43 -9.636 -15.402 -4.711 1.00 41.31 C ATOM 637 OD1 ASN A 43 -8.527 -15.945 -4.603 1.00 61.54 O ATOM 638 ND2 ASN A 43 -10.517 -15.797 -5.586 1.00 25.10 N ATOM 0 H ASN A 43 -8.583 -12.438 -1.543 1.00 3.33 H new ATOM 0 HA ASN A 43 -8.054 -13.989 -2.994 1.00 30.13 H new ATOM 0 HB2 ASN A 43 -10.506 -14.590 -2.914 1.00 14.20 H new ATOM 0 HB3 ASN A 43 -10.761 -13.602 -4.339 1.00 14.20 H new ATOM 0 HD21 ASN A 43 -10.303 -16.576 -6.209 1.00 25.10 H new ATOM 0 HD22 ASN A 43 -11.420 -15.327 -5.648 1.00 25.10 H new ATOM 645 N VAL A 44 -7.646 -11.505 -4.505 1.00 4.24 N ATOM 646 CA VAL A 44 -6.999 -10.851 -5.611 1.00 4.24 C ATOM 647 C VAL A 44 -5.495 -11.184 -5.646 1.00 12.11 C ATOM 648 O VAL A 44 -4.710 -10.665 -4.885 1.00 5.51 O ATOM 649 CB VAL A 44 -7.285 -9.304 -5.663 1.00 71.11 C ATOM 650 CG1 VAL A 44 -6.839 -8.578 -4.410 1.00 13.14 C ATOM 651 CG2 VAL A 44 -6.662 -8.675 -6.888 1.00 24.21 C ATOM 0 H VAL A 44 -7.645 -10.983 -3.629 1.00 4.24 H new ATOM 0 HA VAL A 44 -7.440 -11.251 -6.524 1.00 4.24 H new ATOM 0 HB VAL A 44 -8.368 -9.197 -5.723 1.00 71.11 H new ATOM 0 HG11 VAL A 44 -7.063 -7.516 -4.506 1.00 13.14 H new ATOM 0 HG12 VAL A 44 -7.367 -8.984 -3.547 1.00 13.14 H new ATOM 0 HG13 VAL A 44 -5.766 -8.712 -4.274 1.00 13.14 H new ATOM 0 HG21 VAL A 44 -6.876 -7.606 -6.897 1.00 24.21 H new ATOM 0 HG22 VAL A 44 -5.583 -8.829 -6.867 1.00 24.21 H new ATOM 0 HG23 VAL A 44 -7.077 -9.136 -7.784 1.00 24.21 H new ATOM 661 N ASP A 45 -5.114 -12.059 -6.549 1.00 22.55 N ATOM 662 CA ASP A 45 -3.723 -12.480 -6.687 1.00 44.41 C ATOM 663 C ASP A 45 -3.026 -11.516 -7.593 1.00 61.41 C ATOM 664 O ASP A 45 -3.707 -10.707 -8.280 1.00 63.44 O ATOM 665 CB ASP A 45 -3.626 -13.883 -7.332 1.00 12.32 C ATOM 666 CG ASP A 45 -3.946 -15.044 -6.421 1.00 4.22 C ATOM 667 OD1 ASP A 45 -5.135 -15.341 -6.186 1.00 62.24 O ATOM 668 OD2 ASP A 45 -2.994 -15.723 -5.967 1.00 51.20 O ATOM 0 H ASP A 45 -5.751 -12.502 -7.210 1.00 22.55 H new ATOM 0 HA ASP A 45 -3.270 -12.508 -5.696 1.00 44.41 H new ATOM 0 HB2 ASP A 45 -4.302 -13.918 -8.186 1.00 12.32 H new ATOM 0 HB3 ASP A 45 -2.616 -14.016 -7.719 1.00 12.32 H new ATOM 673 N TYR A 46 -1.690 -11.570 -7.629 1.00 62.35 N ATOM 674 CA TYR A 46 -0.915 -10.762 -8.552 1.00 72.41 C ATOM 675 C TYR A 46 -1.457 -10.930 -9.967 1.00 62.01 C ATOM 676 O TYR A 46 -1.719 -12.050 -10.413 1.00 64.45 O ATOM 677 CB TYR A 46 0.570 -11.172 -8.519 1.00 30.22 C ATOM 678 CG TYR A 46 1.317 -10.871 -7.248 1.00 25.44 C ATOM 679 CD1 TYR A 46 1.361 -9.588 -6.732 1.00 4.42 C ATOM 680 CD2 TYR A 46 1.999 -11.866 -6.576 1.00 14.21 C ATOM 681 CE1 TYR A 46 2.068 -9.310 -5.582 1.00 12.45 C ATOM 682 CE2 TYR A 46 2.712 -11.588 -5.433 1.00 14.20 C ATOM 683 CZ TYR A 46 2.743 -10.313 -4.942 1.00 73.13 C ATOM 684 OH TYR A 46 3.463 -10.039 -3.809 1.00 14.44 O ATOM 0 H TYR A 46 -1.129 -12.170 -7.024 1.00 62.35 H new ATOM 0 HA TYR A 46 -0.998 -9.718 -8.249 1.00 72.41 H new ATOM 0 HB2 TYR A 46 0.633 -12.244 -8.707 1.00 30.22 H new ATOM 0 HB3 TYR A 46 1.081 -10.673 -9.342 1.00 30.22 H new ATOM 0 HD1 TYR A 46 0.834 -8.793 -7.238 1.00 4.42 H new ATOM 0 HD2 TYR A 46 1.972 -12.878 -6.953 1.00 14.21 H new ATOM 0 HE1 TYR A 46 2.089 -8.305 -5.188 1.00 12.45 H new ATOM 0 HE2 TYR A 46 3.247 -12.376 -4.924 1.00 14.20 H new ATOM 0 HH TYR A 46 4.392 -10.326 -3.934 1.00 14.44 H new ATOM 694 N GLY A 47 -1.664 -9.841 -10.638 1.00 64.14 N ATOM 695 CA GLY A 47 -2.218 -9.889 -11.952 1.00 13.04 C ATOM 696 C GLY A 47 -3.234 -8.812 -12.119 1.00 75.32 C ATOM 697 O GLY A 47 -3.325 -8.196 -13.176 1.00 13.43 O ATOM 0 H GLY A 47 -1.456 -8.903 -10.294 1.00 64.14 H new ATOM 0 HA2 GLY A 47 -1.427 -9.772 -12.693 1.00 13.04 H new ATOM 0 HA3 GLY A 47 -2.676 -10.862 -12.126 1.00 13.04 H new ATOM 701 N SER A 48 -4.003 -8.571 -11.079 1.00 23.13 N ATOM 702 CA SER A 48 -4.954 -7.506 -11.116 1.00 50.13 C ATOM 703 C SER A 48 -4.240 -6.224 -10.746 1.00 40.35 C ATOM 704 O SER A 48 -3.471 -6.190 -9.776 1.00 73.53 O ATOM 705 CB SER A 48 -6.088 -7.789 -10.148 1.00 41.42 C ATOM 706 OG SER A 48 -6.706 -9.037 -10.454 1.00 74.33 O ATOM 0 H SER A 48 -3.981 -9.100 -10.207 1.00 23.13 H new ATOM 0 HA SER A 48 -5.383 -7.413 -12.114 1.00 50.13 H new ATOM 0 HB2 SER A 48 -5.707 -7.806 -9.127 1.00 41.42 H new ATOM 0 HB3 SER A 48 -6.826 -6.989 -10.199 1.00 41.42 H new ATOM 0 HG SER A 48 -7.528 -9.133 -9.929 1.00 74.33 H new ATOM 712 N THR A 49 -4.447 -5.209 -11.519 1.00 44.40 N ATOM 713 CA THR A 49 -3.816 -3.962 -11.281 1.00 31.31 C ATOM 714 C THR A 49 -4.716 -3.090 -10.474 1.00 24.13 C ATOM 715 O THR A 49 -5.925 -3.332 -10.398 1.00 2.33 O ATOM 716 CB THR A 49 -3.448 -3.246 -12.594 1.00 33.31 C ATOM 717 OG1 THR A 49 -4.619 -3.038 -13.422 1.00 40.54 O ATOM 718 CG2 THR A 49 -2.402 -4.028 -13.361 1.00 72.25 C ATOM 0 H THR A 49 -5.060 -5.226 -12.334 1.00 44.40 H new ATOM 0 HA THR A 49 -2.893 -4.156 -10.735 1.00 31.31 H new ATOM 0 HB THR A 49 -3.034 -2.272 -12.332 1.00 33.31 H new ATOM 0 HG1 THR A 49 -5.016 -3.904 -13.651 1.00 40.54 H new ATOM 0 HG21 THR A 49 -2.159 -3.502 -14.284 1.00 72.25 H new ATOM 0 HG22 THR A 49 -1.503 -4.127 -12.752 1.00 72.25 H new ATOM 0 HG23 THR A 49 -2.790 -5.018 -13.599 1.00 72.25 H new ATOM 726 N ALA A 50 -4.163 -2.074 -9.892 1.00 20.31 N ATOM 727 CA ALA A 50 -4.911 -1.169 -9.105 1.00 44.41 C ATOM 728 C ALA A 50 -5.907 -0.408 -9.989 1.00 71.33 C ATOM 729 O ALA A 50 -7.064 -0.215 -9.608 1.00 14.32 O ATOM 730 CB ALA A 50 -3.943 -0.238 -8.382 1.00 40.43 C ATOM 0 H ALA A 50 -3.169 -1.854 -9.955 1.00 20.31 H new ATOM 0 HA ALA A 50 -5.497 -1.700 -8.355 1.00 44.41 H new ATOM 0 HB1 ALA A 50 -4.505 0.467 -7.770 1.00 40.43 H new ATOM 0 HB2 ALA A 50 -3.281 -0.825 -7.745 1.00 40.43 H new ATOM 0 HB3 ALA A 50 -3.350 0.310 -9.114 1.00 40.43 H new ATOM 736 N GLN A 51 -5.459 0.009 -11.188 1.00 31.20 N ATOM 737 CA GLN A 51 -6.357 0.722 -12.105 1.00 51.34 C ATOM 738 C GLN A 51 -7.561 -0.127 -12.513 1.00 1.15 C ATOM 739 O GLN A 51 -8.674 0.405 -12.652 1.00 4.41 O ATOM 740 CB GLN A 51 -5.598 1.358 -13.324 1.00 41.43 C ATOM 741 CG GLN A 51 -5.343 0.517 -14.583 1.00 24.21 C ATOM 742 CD GLN A 51 -6.485 0.422 -15.611 1.00 4.34 C ATOM 743 OE1 GLN A 51 -7.376 -0.499 -15.467 1.00 63.11 O flip ATOM 744 NE2 GLN A 51 -6.546 1.209 -16.526 1.00 51.54 N flip ATOM 0 H GLN A 51 -4.510 -0.131 -11.534 1.00 31.20 H new ATOM 0 HA GLN A 51 -6.765 1.566 -11.549 1.00 51.34 H new ATOM 0 HB2 GLN A 51 -6.157 2.242 -13.630 1.00 41.43 H new ATOM 0 HB3 GLN A 51 -4.630 1.703 -12.961 1.00 41.43 H new ATOM 0 HG2 GLN A 51 -4.467 0.923 -15.088 1.00 24.21 H new ATOM 0 HG3 GLN A 51 -5.088 -0.495 -14.267 1.00 24.21 H new ATOM 0 HE21 GLN A 51 -5.833 1.932 -16.626 1.00 51.54 H new ATOM 0 HE22 GLN A 51 -7.310 1.151 -17.199 1.00 51.54 H new ATOM 753 N ASP A 52 -7.357 -1.451 -12.708 1.00 23.34 N ATOM 754 CA ASP A 52 -8.498 -2.313 -13.077 1.00 35.15 C ATOM 755 C ASP A 52 -9.407 -2.542 -11.889 1.00 62.21 C ATOM 756 O ASP A 52 -10.629 -2.709 -12.041 1.00 2.41 O ATOM 757 CB ASP A 52 -8.149 -3.608 -13.865 1.00 63.43 C ATOM 758 CG ASP A 52 -7.498 -4.722 -13.112 1.00 15.21 C ATOM 759 OD1 ASP A 52 -8.138 -5.379 -12.307 1.00 1.40 O ATOM 760 OD2 ASP A 52 -6.324 -4.982 -13.379 1.00 5.31 O ATOM 0 H ASP A 52 -6.458 -1.925 -12.621 1.00 23.34 H new ATOM 0 HA ASP A 52 -9.057 -1.748 -13.823 1.00 35.15 H new ATOM 0 HB2 ASP A 52 -9.070 -3.992 -14.304 1.00 63.43 H new ATOM 0 HB3 ASP A 52 -7.493 -3.332 -14.691 1.00 63.43 H new ATOM 765 N LEU A 53 -8.816 -2.488 -10.699 1.00 23.10 N ATOM 766 CA LEU A 53 -9.567 -2.527 -9.461 1.00 14.32 C ATOM 767 C LEU A 53 -10.481 -1.325 -9.370 1.00 65.30 C ATOM 768 O LEU A 53 -11.676 -1.465 -9.043 1.00 64.25 O ATOM 769 CB LEU A 53 -8.627 -2.609 -8.248 1.00 3.41 C ATOM 770 CG LEU A 53 -8.138 -3.999 -7.891 1.00 32.11 C ATOM 771 CD1 LEU A 53 -6.988 -3.909 -6.900 1.00 71.13 C ATOM 772 CD2 LEU A 53 -9.299 -4.765 -7.263 1.00 51.32 C ATOM 0 H LEU A 53 -7.806 -2.416 -10.572 1.00 23.10 H new ATOM 0 HA LEU A 53 -10.183 -3.426 -9.455 1.00 14.32 H new ATOM 0 HB2 LEU A 53 -7.760 -1.976 -8.439 1.00 3.41 H new ATOM 0 HB3 LEU A 53 -9.142 -2.191 -7.383 1.00 3.41 H new ATOM 0 HG LEU A 53 -7.784 -4.511 -8.786 1.00 32.11 H new ATOM 0 HD11 LEU A 53 -6.644 -4.913 -6.650 1.00 71.13 H new ATOM 0 HD12 LEU A 53 -6.168 -3.344 -7.344 1.00 71.13 H new ATOM 0 HD13 LEU A 53 -7.327 -3.405 -5.995 1.00 71.13 H new ATOM 0 HD21 LEU A 53 -8.971 -5.770 -6.997 1.00 51.32 H new ATOM 0 HD22 LEU A 53 -9.636 -4.244 -6.367 1.00 51.32 H new ATOM 0 HD23 LEU A 53 -10.121 -4.829 -7.976 1.00 51.32 H new ATOM 784 N GLU A 54 -9.945 -0.126 -9.673 1.00 11.25 N ATOM 785 CA GLU A 54 -10.772 1.060 -9.701 1.00 12.44 C ATOM 786 C GLU A 54 -11.904 0.957 -10.666 1.00 24.43 C ATOM 787 O GLU A 54 -12.994 1.269 -10.309 1.00 21.15 O ATOM 788 CB GLU A 54 -10.033 2.322 -10.059 1.00 0.00 C ATOM 789 CG GLU A 54 -9.063 2.869 -9.070 1.00 72.44 C ATOM 790 CD GLU A 54 -8.732 4.286 -9.461 1.00 24.43 C ATOM 791 OE1 GLU A 54 -9.483 5.192 -9.078 1.00 54.43 O ATOM 792 OE2 GLU A 54 -7.764 4.516 -10.223 1.00 50.31 O ATOM 0 H GLU A 54 -8.962 0.029 -9.895 1.00 11.25 H new ATOM 0 HA GLU A 54 -11.132 1.121 -8.674 1.00 12.44 H new ATOM 0 HB2 GLU A 54 -9.495 2.141 -10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.773 3.096 -10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.489 2.842 -8.067 1.00 72.44 H new ATOM 0 HG3 GLU A 54 -8.159 2.260 -9.049 1.00 72.44 H new ATOM 799 N ALA A 55 -11.642 0.521 -11.881 1.00 61.31 N ATOM 800 CA ALA A 55 -12.688 0.476 -12.915 1.00 42.44 C ATOM 801 C ALA A 55 -13.903 -0.317 -12.433 1.00 75.41 C ATOM 802 O ALA A 55 -15.071 0.177 -12.493 1.00 21.32 O ATOM 803 CB ALA A 55 -12.133 -0.123 -14.201 1.00 61.33 C ATOM 0 H ALA A 55 -10.726 0.193 -12.188 1.00 61.31 H new ATOM 0 HA ALA A 55 -13.013 1.497 -13.116 1.00 42.44 H new ATOM 0 HB1 ALA A 55 -12.917 -0.150 -14.958 1.00 61.33 H new ATOM 0 HB2 ALA A 55 -11.304 0.488 -14.559 1.00 61.33 H new ATOM 0 HB3 ALA A 55 -11.780 -1.136 -14.008 1.00 61.33 H new ATOM 809 N HIS A 56 -13.628 -1.478 -11.874 1.00 62.34 N ATOM 810 CA HIS A 56 -14.666 -2.349 -11.381 1.00 35.54 C ATOM 811 C HIS A 56 -15.425 -1.691 -10.221 1.00 12.12 C ATOM 812 O HIS A 56 -16.642 -1.746 -10.166 1.00 62.20 O ATOM 813 CB HIS A 56 -14.078 -3.725 -10.985 1.00 53.14 C ATOM 814 CG HIS A 56 -15.091 -4.749 -10.519 1.00 43.33 C ATOM 815 ND1 HIS A 56 -16.067 -5.267 -11.333 1.00 73.42 N ATOM 816 CD2 HIS A 56 -15.260 -5.353 -9.314 1.00 33.01 C ATOM 817 CE1 HIS A 56 -16.792 -6.133 -10.664 1.00 74.53 C ATOM 818 NE2 HIS A 56 -16.327 -6.214 -9.435 1.00 54.25 N ATOM 0 H HIS A 56 -12.682 -1.840 -11.751 1.00 62.34 H new ATOM 0 HA HIS A 56 -15.388 -2.521 -12.180 1.00 35.54 H new ATOM 0 HB2 HIS A 56 -13.541 -4.133 -11.841 1.00 53.14 H new ATOM 0 HB3 HIS A 56 -13.346 -3.575 -10.192 1.00 53.14 H new ATOM 0 HD2 HIS A 56 -14.667 -5.188 -8.426 1.00 33.01 H new ATOM 0 HE1 HIS A 56 -17.631 -6.688 -11.057 1.00 74.53 H new ATOM 0 HE2 HIS A 56 -16.695 -6.814 -8.697 1.00 54.25 H new ATOM 827 N PHE A 57 -14.703 -1.060 -9.313 1.00 25.21 N ATOM 828 CA PHE A 57 -15.312 -0.417 -8.155 1.00 2.12 C ATOM 829 C PHE A 57 -15.875 0.989 -8.384 1.00 64.33 C ATOM 830 O PHE A 57 -16.794 1.403 -7.690 1.00 31.53 O ATOM 831 CB PHE A 57 -14.425 -0.497 -6.937 1.00 11.32 C ATOM 832 CG PHE A 57 -14.448 -1.859 -6.337 1.00 33.34 C ATOM 833 CD1 PHE A 57 -15.512 -2.223 -5.561 1.00 54.40 C ATOM 834 CD2 PHE A 57 -13.443 -2.779 -6.567 1.00 25.43 C ATOM 835 CE1 PHE A 57 -15.593 -3.468 -5.005 1.00 71.33 C ATOM 836 CE2 PHE A 57 -13.523 -4.043 -6.009 1.00 33.34 C ATOM 837 CZ PHE A 57 -14.600 -4.378 -5.230 1.00 61.14 C ATOM 0 H PHE A 57 -13.687 -0.977 -9.353 1.00 25.21 H new ATOM 0 HA PHE A 57 -16.206 -1.011 -7.964 1.00 2.12 H new ATOM 0 HB2 PHE A 57 -13.403 -0.236 -7.212 1.00 11.32 H new ATOM 0 HB3 PHE A 57 -14.753 0.234 -6.198 1.00 11.32 H new ATOM 0 HD1 PHE A 57 -16.305 -1.512 -5.384 1.00 54.40 H new ATOM 0 HD2 PHE A 57 -12.596 -2.512 -7.182 1.00 25.43 H new ATOM 0 HE1 PHE A 57 -16.440 -3.732 -4.389 1.00 71.33 H new ATOM 0 HE2 PHE A 57 -12.739 -4.764 -6.187 1.00 33.34 H new ATOM 0 HZ PHE A 57 -14.663 -5.364 -4.793 1.00 61.14 H new ATOM 847 N SER A 58 -15.348 1.696 -9.359 1.00 12.42 N ATOM 848 CA SER A 58 -15.759 3.073 -9.625 1.00 33.44 C ATOM 849 C SER A 58 -17.150 3.119 -10.175 1.00 61.40 C ATOM 850 O SER A 58 -17.871 4.109 -9.992 1.00 41.05 O ATOM 851 CB SER A 58 -14.783 3.795 -10.548 1.00 51.22 C ATOM 852 OG SER A 58 -13.491 3.866 -9.958 1.00 23.32 O ATOM 0 H SER A 58 -14.628 1.344 -9.990 1.00 12.42 H new ATOM 0 HA SER A 58 -15.749 3.601 -8.672 1.00 33.44 H new ATOM 0 HB2 SER A 58 -14.724 3.273 -11.503 1.00 51.22 H new ATOM 0 HB3 SER A 58 -15.148 4.800 -10.757 1.00 51.22 H new ATOM 0 HG SER A 58 -13.150 2.960 -9.807 1.00 23.32 H new ATOM 858 N SER A 59 -17.551 2.052 -10.854 1.00 52.34 N ATOM 859 CA SER A 59 -18.916 1.939 -11.293 1.00 72.32 C ATOM 860 C SER A 59 -19.890 1.982 -10.087 1.00 44.21 C ATOM 861 O SER A 59 -21.038 2.385 -10.222 1.00 0.33 O ATOM 862 CB SER A 59 -19.086 0.644 -12.070 1.00 75.41 C ATOM 863 OG SER A 59 -18.219 0.618 -13.208 1.00 44.14 O ATOM 0 H SER A 59 -16.951 1.266 -11.105 1.00 52.34 H new ATOM 0 HA SER A 59 -19.153 2.783 -11.940 1.00 72.32 H new ATOM 0 HB2 SER A 59 -18.869 -0.205 -11.422 1.00 75.41 H new ATOM 0 HB3 SER A 59 -20.122 0.542 -12.394 1.00 75.41 H new ATOM 0 HG SER A 59 -17.294 0.484 -12.912 1.00 44.14 H new ATOM 869 N CYS A 60 -19.412 1.572 -8.918 1.00 13.31 N ATOM 870 CA CYS A 60 -20.223 1.562 -7.720 1.00 4.24 C ATOM 871 C CYS A 60 -19.857 2.690 -6.735 1.00 54.01 C ATOM 872 O CYS A 60 -20.370 2.727 -5.614 1.00 71.50 O ATOM 873 CB CYS A 60 -20.112 0.210 -7.042 1.00 61.35 C ATOM 874 SG CYS A 60 -20.636 -1.170 -8.080 1.00 13.32 S ATOM 0 H CYS A 60 -18.457 1.240 -8.780 1.00 13.31 H new ATOM 0 HA CYS A 60 -21.254 1.743 -8.025 1.00 4.24 H new ATOM 0 HB2 CYS A 60 -19.078 0.051 -6.737 1.00 61.35 H new ATOM 0 HB3 CYS A 60 -20.715 0.219 -6.134 1.00 61.35 H new ATOM 0 HG CYS A 60 -21.425 -1.949 -7.401 1.00 13.32 H new ATOM 880 N GLY A 61 -19.018 3.620 -7.147 1.00 62.21 N ATOM 881 CA GLY A 61 -18.673 4.686 -6.228 1.00 30.01 C ATOM 882 C GLY A 61 -17.450 5.480 -6.589 1.00 34.24 C ATOM 883 O GLY A 61 -16.760 5.188 -7.553 1.00 71.35 O ATOM 0 H GLY A 61 -18.580 3.662 -8.067 1.00 62.21 H new ATOM 0 HA2 GLY A 61 -19.520 5.368 -6.156 1.00 30.01 H new ATOM 0 HA3 GLY A 61 -18.526 4.255 -5.238 1.00 30.01 H new ATOM 887 N SER A 62 -17.185 6.489 -5.791 1.00 53.14 N ATOM 888 CA SER A 62 -16.066 7.370 -5.998 1.00 75.21 C ATOM 889 C SER A 62 -14.922 6.991 -5.067 1.00 71.15 C ATOM 890 O SER A 62 -15.051 7.063 -3.835 1.00 53.21 O ATOM 891 CB SER A 62 -16.510 8.795 -5.745 1.00 1.35 C ATOM 892 OG SER A 62 -17.625 9.109 -6.570 1.00 3.20 O ATOM 0 H SER A 62 -17.748 6.721 -4.973 1.00 53.14 H new ATOM 0 HA SER A 62 -15.710 7.281 -7.024 1.00 75.21 H new ATOM 0 HB2 SER A 62 -16.776 8.921 -4.696 1.00 1.35 H new ATOM 0 HB3 SER A 62 -15.690 9.483 -5.951 1.00 1.35 H new ATOM 0 HG SER A 62 -17.320 9.608 -7.356 1.00 3.20 H new ATOM 898 N ILE A 63 -13.835 6.588 -5.656 1.00 24.25 N ATOM 899 CA ILE A 63 -12.672 6.115 -4.944 1.00 20.33 C ATOM 900 C ILE A 63 -11.752 7.258 -4.474 1.00 22.52 C ATOM 901 O ILE A 63 -11.387 8.146 -5.251 1.00 22.45 O ATOM 902 CB ILE A 63 -11.898 5.108 -5.836 1.00 3.44 C ATOM 903 CG1 ILE A 63 -12.769 3.860 -6.078 1.00 14.31 C ATOM 904 CG2 ILE A 63 -10.540 4.750 -5.253 1.00 2.12 C ATOM 905 CD1 ILE A 63 -12.141 2.815 -6.965 1.00 21.51 C ATOM 0 H ILE A 63 -13.724 6.577 -6.670 1.00 24.25 H new ATOM 0 HA ILE A 63 -13.016 5.616 -4.038 1.00 20.33 H new ATOM 0 HB ILE A 63 -11.693 5.583 -6.796 1.00 3.44 H new ATOM 0 HG12 ILE A 63 -13.004 3.406 -5.115 1.00 14.31 H new ATOM 0 HG13 ILE A 63 -13.714 4.174 -6.522 1.00 14.31 H new ATOM 0 HG21 ILE A 63 -10.036 4.043 -5.912 1.00 2.12 H new ATOM 0 HG22 ILE A 63 -9.935 5.652 -5.158 1.00 2.12 H new ATOM 0 HG23 ILE A 63 -10.674 4.298 -4.270 1.00 2.12 H new ATOM 0 HD11 ILE A 63 -12.826 1.975 -7.078 1.00 21.51 H new ATOM 0 HD12 ILE A 63 -11.931 3.247 -7.944 1.00 21.51 H new ATOM 0 HD13 ILE A 63 -11.211 2.467 -6.515 1.00 21.51 H new ATOM 917 N ASN A 64 -11.425 7.234 -3.188 1.00 24.41 N ATOM 918 CA ASN A 64 -10.486 8.191 -2.589 1.00 71.11 C ATOM 919 C ASN A 64 -9.081 7.677 -2.733 1.00 3.53 C ATOM 920 O ASN A 64 -8.162 8.400 -3.132 1.00 62.24 O ATOM 921 CB ASN A 64 -10.726 8.373 -1.077 1.00 64.04 C ATOM 922 CG ASN A 64 -12.046 8.980 -0.698 1.00 14.22 C ATOM 923 OD1 ASN A 64 -12.625 9.764 -1.439 1.00 54.24 O ATOM 924 ND2 ASN A 64 -12.522 8.629 0.472 1.00 74.03 N ATOM 0 H ASN A 64 -11.799 6.554 -2.526 1.00 24.41 H new ATOM 0 HA ASN A 64 -10.637 9.139 -3.105 1.00 71.11 H new ATOM 0 HB2 ASN A 64 -10.642 7.399 -0.594 1.00 64.04 H new ATOM 0 HB3 ASN A 64 -9.930 8.998 -0.674 1.00 64.04 H new ATOM 0 HD21 ASN A 64 -13.409 9.013 0.798 1.00 74.03 H new ATOM 0 HD22 ASN A 64 -12.005 7.972 1.057 1.00 74.03 H new ATOM 931 N ARG A 65 -8.932 6.408 -2.426 1.00 52.02 N ATOM 932 CA ARG A 65 -7.643 5.736 -2.351 1.00 52.01 C ATOM 933 C ARG A 65 -7.900 4.265 -2.488 1.00 21.30 C ATOM 934 O ARG A 65 -9.048 3.821 -2.335 1.00 60.21 O ATOM 935 CB ARG A 65 -6.981 5.937 -0.962 1.00 2.20 C ATOM 936 CG ARG A 65 -6.806 7.371 -0.502 1.00 70.14 C ATOM 937 CD ARG A 65 -6.278 7.440 0.917 1.00 64.31 C ATOM 938 NE ARG A 65 -4.885 6.968 1.092 1.00 62.11 N ATOM 939 CZ ARG A 65 -4.493 6.156 2.105 1.00 53.13 C ATOM 940 NH1 ARG A 65 -5.378 5.384 2.729 1.00 75.15 N ATOM 941 NH2 ARG A 65 -3.220 6.074 2.433 1.00 71.45 N ATOM 0 H ARG A 65 -9.720 5.795 -2.215 1.00 52.02 H new ATOM 0 HA ARG A 65 -6.992 6.138 -3.127 1.00 52.01 H new ATOM 0 HB2 ARG A 65 -7.579 5.410 -0.219 1.00 2.20 H new ATOM 0 HB3 ARG A 65 -6.001 5.461 -0.978 1.00 2.20 H new ATOM 0 HG2 ARG A 65 -6.119 7.888 -1.172 1.00 70.14 H new ATOM 0 HG3 ARG A 65 -7.762 7.892 -0.561 1.00 70.14 H new ATOM 0 HD2 ARG A 65 -6.342 8.472 1.262 1.00 64.31 H new ATOM 0 HD3 ARG A 65 -6.929 6.848 1.560 1.00 64.31 H new ATOM 0 HE ARG A 65 -4.184 7.269 0.415 1.00 62.11 H new ATOM 0 HH11 ARG A 65 -6.358 5.400 2.446 1.00 75.15 H new ATOM 0 HH12 ARG A 65 -5.077 4.775 3.490 1.00 75.15 H new ATOM 0 HH21 ARG A 65 -2.526 6.622 1.925 1.00 71.45 H new ATOM 0 HH22 ARG A 65 -2.928 5.462 3.195 1.00 71.45 H new ATOM 955 N ILE A 66 -6.867 3.515 -2.728 1.00 22.32 N ATOM 956 CA ILE A 66 -6.953 2.080 -2.771 1.00 23.20 C ATOM 957 C ILE A 66 -5.671 1.520 -2.247 1.00 60.21 C ATOM 958 O ILE A 66 -4.594 2.069 -2.491 1.00 72.23 O ATOM 959 CB ILE A 66 -7.295 1.436 -4.169 1.00 2.34 C ATOM 960 CG1 ILE A 66 -6.244 1.707 -5.230 1.00 32.32 C ATOM 961 CG2 ILE A 66 -8.662 1.848 -4.670 1.00 33.54 C ATOM 962 CD1 ILE A 66 -6.617 1.135 -6.582 1.00 75.03 C ATOM 0 H ILE A 66 -5.931 3.882 -2.901 1.00 22.32 H new ATOM 0 HA ILE A 66 -7.811 1.818 -2.152 1.00 23.20 H new ATOM 0 HB ILE A 66 -7.302 0.361 -3.989 1.00 2.34 H new ATOM 0 HG12 ILE A 66 -6.097 2.783 -5.323 1.00 32.32 H new ATOM 0 HG13 ILE A 66 -5.293 1.282 -4.910 1.00 32.32 H new ATOM 0 HG21 ILE A 66 -8.852 1.379 -5.636 1.00 33.54 H new ATOM 0 HG22 ILE A 66 -9.422 1.530 -3.956 1.00 33.54 H new ATOM 0 HG23 ILE A 66 -8.698 2.932 -4.779 1.00 33.54 H new ATOM 0 HD11 ILE A 66 -5.829 1.359 -7.302 1.00 75.03 H new ATOM 0 HD12 ILE A 66 -6.737 0.055 -6.500 1.00 75.03 H new ATOM 0 HD13 ILE A 66 -7.554 1.579 -6.919 1.00 75.03 H new ATOM 974 N THR A 67 -5.782 0.476 -1.535 1.00 51.53 N ATOM 975 CA THR A 67 -4.670 -0.158 -0.926 1.00 3.34 C ATOM 976 C THR A 67 -4.683 -1.597 -1.364 1.00 52.10 C ATOM 977 O THR A 67 -5.689 -2.266 -1.210 1.00 61.51 O ATOM 978 CB THR A 67 -4.788 -0.060 0.613 1.00 62.15 C ATOM 979 OG1 THR A 67 -4.870 1.323 0.994 1.00 51.45 O ATOM 980 CG2 THR A 67 -3.596 -0.699 1.302 1.00 25.31 C ATOM 0 H THR A 67 -6.673 0.016 -1.348 1.00 51.53 H new ATOM 0 HA THR A 67 -3.736 0.321 -1.221 1.00 3.34 H new ATOM 0 HB THR A 67 -5.687 -0.594 0.921 1.00 62.15 H new ATOM 0 HG1 THR A 67 -4.947 1.390 1.969 1.00 51.45 H new ATOM 0 HG21 THR A 67 -3.711 -0.613 2.382 1.00 25.31 H new ATOM 0 HG22 THR A 67 -3.538 -1.752 1.026 1.00 25.31 H new ATOM 0 HG23 THR A 67 -2.682 -0.192 0.993 1.00 25.31 H new ATOM 988 N ILE A 68 -3.611 -2.072 -1.920 1.00 5.02 N ATOM 989 CA ILE A 68 -3.573 -3.431 -2.370 1.00 24.13 C ATOM 990 C ILE A 68 -2.453 -4.075 -1.609 1.00 74.24 C ATOM 991 O ILE A 68 -1.313 -3.653 -1.726 1.00 34.14 O ATOM 992 CB ILE A 68 -3.277 -3.607 -3.906 1.00 1.04 C ATOM 993 CG1 ILE A 68 -4.008 -2.588 -4.801 1.00 14.04 C ATOM 994 CG2 ILE A 68 -3.649 -5.013 -4.355 1.00 52.04 C ATOM 995 CD1 ILE A 68 -3.300 -1.254 -4.910 1.00 22.24 C ATOM 0 H ILE A 68 -2.753 -1.542 -2.073 1.00 5.02 H new ATOM 0 HA ILE A 68 -4.556 -3.872 -2.203 1.00 24.13 H new ATOM 0 HB ILE A 68 -2.208 -3.430 -4.024 1.00 1.04 H new ATOM 0 HG12 ILE A 68 -4.122 -3.011 -5.799 1.00 14.04 H new ATOM 0 HG13 ILE A 68 -5.011 -2.426 -4.407 1.00 14.04 H new ATOM 0 HG21 ILE A 68 -3.440 -5.122 -5.419 1.00 52.04 H new ATOM 0 HG22 ILE A 68 -3.064 -5.741 -3.793 1.00 52.04 H new ATOM 0 HG23 ILE A 68 -4.710 -5.184 -4.175 1.00 52.04 H new ATOM 0 HD11 ILE A 68 -3.874 -0.589 -5.556 1.00 22.24 H new ATOM 0 HD12 ILE A 68 -3.209 -0.808 -3.919 1.00 22.24 H new ATOM 0 HD13 ILE A 68 -2.307 -1.403 -5.333 1.00 22.24 H new ATOM 1007 N LEU A 69 -2.759 -5.023 -0.800 1.00 50.34 N ATOM 1008 CA LEU A 69 -1.740 -5.664 -0.013 1.00 53.32 C ATOM 1009 C LEU A 69 -1.666 -7.142 -0.279 1.00 23.22 C ATOM 1010 O LEU A 69 -2.681 -7.839 -0.273 1.00 31.14 O ATOM 1011 CB LEU A 69 -1.778 -5.314 1.501 1.00 32.54 C ATOM 1012 CG LEU A 69 -3.070 -5.549 2.303 1.00 13.13 C ATOM 1013 CD1 LEU A 69 -2.781 -5.319 3.771 1.00 4.13 C ATOM 1014 CD2 LEU A 69 -4.162 -4.585 1.875 1.00 22.04 C ATOM 0 H LEU A 69 -3.703 -5.381 -0.657 1.00 50.34 H new ATOM 0 HA LEU A 69 -0.799 -5.234 -0.357 1.00 53.32 H new ATOM 0 HB2 LEU A 69 -0.985 -5.882 1.987 1.00 32.54 H new ATOM 0 HB3 LEU A 69 -1.521 -4.259 1.599 1.00 32.54 H new ATOM 0 HG LEU A 69 -3.408 -6.569 2.122 1.00 13.13 H new ATOM 0 HD11 LEU A 69 -3.689 -5.483 4.351 1.00 4.13 H new ATOM 0 HD12 LEU A 69 -2.009 -6.013 4.103 1.00 4.13 H new ATOM 0 HD13 LEU A 69 -2.436 -4.295 3.918 1.00 4.13 H new ATOM 0 HD21 LEU A 69 -5.063 -4.774 2.458 1.00 22.04 H new ATOM 0 HD22 LEU A 69 -3.829 -3.561 2.043 1.00 22.04 H new ATOM 0 HD23 LEU A 69 -4.379 -4.727 0.816 1.00 22.04 H new ATOM 1026 N CYS A 70 -0.489 -7.607 -0.555 1.00 51.11 N ATOM 1027 CA CYS A 70 -0.263 -8.991 -0.847 1.00 64.43 C ATOM 1028 C CYS A 70 0.658 -9.594 0.200 1.00 1.34 C ATOM 1029 O CYS A 70 1.667 -8.979 0.560 1.00 52.52 O ATOM 1030 CB CYS A 70 0.346 -9.122 -2.240 1.00 63.33 C ATOM 1031 SG CYS A 70 -0.674 -8.398 -3.549 1.00 40.44 S ATOM 0 H CYS A 70 0.353 -7.032 -0.585 1.00 51.11 H new ATOM 0 HA CYS A 70 -1.210 -9.531 -0.825 1.00 64.43 H new ATOM 0 HB2 CYS A 70 1.325 -8.642 -2.246 1.00 63.33 H new ATOM 0 HB3 CYS A 70 0.508 -10.178 -2.459 1.00 63.33 H new ATOM 0 HG CYS A 70 -0.046 -8.480 -4.684 1.00 40.44 H new ATOM 1037 N ASP A 71 0.314 -10.763 0.719 1.00 45.24 N ATOM 1038 CA ASP A 71 1.169 -11.411 1.702 1.00 62.03 C ATOM 1039 C ASP A 71 1.653 -12.734 1.194 1.00 50.41 C ATOM 1040 O ASP A 71 0.943 -13.426 0.467 1.00 64.51 O ATOM 1041 CB ASP A 71 0.472 -11.627 3.058 1.00 52.30 C ATOM 1042 CG ASP A 71 -0.647 -12.652 3.043 1.00 61.50 C ATOM 1043 OD1 ASP A 71 -0.383 -13.850 3.204 1.00 4.11 O ATOM 1044 OD2 ASP A 71 -1.795 -12.275 2.936 1.00 53.44 O ATOM 0 H ASP A 71 -0.536 -11.275 0.482 1.00 45.24 H new ATOM 0 HA ASP A 71 2.009 -10.734 1.859 1.00 62.03 H new ATOM 0 HB2 ASP A 71 1.219 -11.936 3.789 1.00 52.30 H new ATOM 0 HB3 ASP A 71 0.068 -10.674 3.399 1.00 52.30 H new ATOM 1049 N LYS A 72 2.873 -13.074 1.540 1.00 64.32 N ATOM 1050 CA LYS A 72 3.419 -14.368 1.211 1.00 51.33 C ATOM 1051 C LYS A 72 3.617 -15.207 2.448 1.00 35.10 C ATOM 1052 O LYS A 72 4.242 -16.271 2.407 1.00 33.31 O ATOM 1053 CB LYS A 72 4.694 -14.244 0.403 1.00 35.45 C ATOM 1054 CG LYS A 72 4.450 -13.709 -0.984 1.00 33.23 C ATOM 1055 CD LYS A 72 5.714 -13.646 -1.792 1.00 21.03 C ATOM 1056 CE LYS A 72 5.396 -13.291 -3.215 1.00 40.23 C ATOM 1057 NZ LYS A 72 6.592 -13.253 -4.066 1.00 50.22 N ATOM 0 H LYS A 72 3.510 -12.465 2.054 1.00 64.32 H new ATOM 0 HA LYS A 72 2.693 -14.884 0.582 1.00 51.33 H new ATOM 0 HB2 LYS A 72 5.389 -13.586 0.925 1.00 35.45 H new ATOM 0 HB3 LYS A 72 5.172 -15.221 0.333 1.00 35.45 H new ATOM 0 HG2 LYS A 72 3.724 -14.342 -1.495 1.00 33.23 H new ATOM 0 HG3 LYS A 72 4.012 -12.713 -0.917 1.00 33.23 H new ATOM 0 HD2 LYS A 72 6.391 -12.905 -1.366 1.00 21.03 H new ATOM 0 HD3 LYS A 72 6.228 -14.607 -1.754 1.00 21.03 H new ATOM 0 HE2 LYS A 72 4.690 -14.017 -3.618 1.00 40.23 H new ATOM 0 HE3 LYS A 72 4.904 -12.319 -3.242 1.00 40.23 H new ATOM 0 HZ1 LYS A 72 6.337 -12.889 -5.007 1.00 50.22 H new ATOM 0 HZ2 LYS A 72 7.305 -12.630 -3.635 1.00 50.22 H new ATOM 0 HZ3 LYS A 72 6.982 -14.213 -4.160 1.00 50.22 H new ATOM 1071 N PHE A 73 3.048 -14.746 3.549 1.00 15.11 N ATOM 1072 CA PHE A 73 3.064 -15.494 4.798 1.00 10.42 C ATOM 1073 C PHE A 73 2.245 -16.763 4.689 1.00 41.23 C ATOM 1074 O PHE A 73 2.431 -17.713 5.446 1.00 31.03 O ATOM 1075 CB PHE A 73 2.555 -14.659 5.957 1.00 24.12 C ATOM 1076 CG PHE A 73 3.545 -13.724 6.565 1.00 43.54 C ATOM 1077 CD1 PHE A 73 4.644 -14.225 7.244 1.00 2.10 C ATOM 1078 CD2 PHE A 73 3.368 -12.365 6.503 1.00 13.53 C ATOM 1079 CE1 PHE A 73 5.545 -13.382 7.846 1.00 43.23 C ATOM 1080 CE2 PHE A 73 4.264 -11.514 7.113 1.00 75.31 C ATOM 1081 CZ PHE A 73 5.354 -12.026 7.785 1.00 11.33 C ATOM 0 H PHE A 73 2.565 -13.849 3.604 1.00 15.11 H new ATOM 0 HA PHE A 73 4.103 -15.759 4.992 1.00 10.42 H new ATOM 0 HB2 PHE A 73 1.698 -14.079 5.614 1.00 24.12 H new ATOM 0 HB3 PHE A 73 2.194 -15.332 6.734 1.00 24.12 H new ATOM 0 HD1 PHE A 73 4.794 -15.293 7.300 1.00 2.10 H new ATOM 0 HD2 PHE A 73 2.520 -11.959 5.972 1.00 13.53 H new ATOM 0 HE1 PHE A 73 6.401 -13.786 8.366 1.00 43.23 H new ATOM 0 HE2 PHE A 73 4.113 -10.446 7.065 1.00 75.31 H new ATOM 0 HZ PHE A 73 6.056 -11.359 8.263 1.00 11.33 H new ATOM 1091 N SER A 74 1.361 -16.783 3.738 1.00 12.12 N ATOM 1092 CA SER A 74 0.523 -17.923 3.512 1.00 54.33 C ATOM 1093 C SER A 74 1.254 -18.933 2.594 1.00 31.24 C ATOM 1094 O SER A 74 0.697 -19.957 2.198 1.00 65.13 O ATOM 1095 CB SER A 74 -0.788 -17.444 2.878 1.00 42.42 C ATOM 1096 OG SER A 74 -1.755 -18.475 2.795 1.00 13.42 O ATOM 0 H SER A 74 1.199 -16.008 3.095 1.00 12.12 H new ATOM 0 HA SER A 74 0.300 -18.428 4.452 1.00 54.33 H new ATOM 0 HB2 SER A 74 -1.191 -16.618 3.464 1.00 42.42 H new ATOM 0 HB3 SER A 74 -0.586 -17.058 1.879 1.00 42.42 H new ATOM 0 HG SER A 74 -1.329 -19.299 2.479 1.00 13.42 H new ATOM 1102 N GLY A 75 2.508 -18.623 2.256 1.00 14.15 N ATOM 1103 CA GLY A 75 3.296 -19.465 1.372 1.00 44.23 C ATOM 1104 C GLY A 75 3.044 -19.090 -0.060 1.00 12.53 C ATOM 1105 O GLY A 75 3.961 -18.953 -0.866 1.00 63.35 O ATOM 0 H GLY A 75 2.995 -17.790 2.586 1.00 14.15 H new ATOM 0 HA2 GLY A 75 4.356 -19.356 1.603 1.00 44.23 H new ATOM 0 HA3 GLY A 75 3.041 -20.513 1.532 1.00 44.23 H new ATOM 1109 N HIS A 76 1.797 -18.903 -0.342 1.00 2.34 N ATOM 1110 CA HIS A 76 1.339 -18.480 -1.630 1.00 45.34 C ATOM 1111 C HIS A 76 1.159 -16.998 -1.535 1.00 73.44 C ATOM 1112 O HIS A 76 0.817 -16.505 -0.447 1.00 43.20 O ATOM 1113 CB HIS A 76 -0.010 -19.116 -1.986 1.00 54.03 C ATOM 1114 CG HIS A 76 -0.006 -20.604 -2.036 1.00 15.43 C ATOM 1115 ND1 HIS A 76 -0.684 -21.380 -1.130 1.00 21.43 N ATOM 1116 CD2 HIS A 76 0.558 -21.456 -2.910 1.00 62.24 C ATOM 1117 CE1 HIS A 76 -0.540 -22.645 -1.444 1.00 13.33 C ATOM 1118 NE2 HIS A 76 0.209 -22.726 -2.525 1.00 63.21 N ATOM 0 H HIS A 76 1.046 -19.043 0.334 1.00 2.34 H new ATOM 0 HA HIS A 76 2.054 -18.775 -2.399 1.00 45.34 H new ATOM 0 HB2 HIS A 76 -0.752 -18.793 -1.255 1.00 54.03 H new ATOM 0 HB3 HIS A 76 -0.331 -18.735 -2.956 1.00 54.03 H new ATOM 0 HD2 HIS A 76 1.172 -21.190 -3.758 1.00 62.24 H new ATOM 0 HE1 HIS A 76 -0.964 -23.480 -0.907 1.00 13.33 H new ATOM 0 HE2 HIS A 76 0.483 -23.588 -2.996 1.00 63.21 H new ATOM 1127 N PRO A 77 1.383 -16.243 -2.600 1.00 64.40 N ATOM 1128 CA PRO A 77 1.141 -14.833 -2.540 1.00 45.13 C ATOM 1129 C PRO A 77 -0.344 -14.593 -2.597 1.00 31.35 C ATOM 1130 O PRO A 77 -0.997 -14.936 -3.592 1.00 55.23 O ATOM 1131 CB PRO A 77 1.832 -14.271 -3.809 1.00 30.35 C ATOM 1132 CG PRO A 77 2.420 -15.447 -4.537 1.00 31.42 C ATOM 1133 CD PRO A 77 1.861 -16.694 -3.911 1.00 54.53 C ATOM 0 HA PRO A 77 1.517 -14.364 -1.631 1.00 45.13 H new ATOM 0 HB2 PRO A 77 1.115 -13.745 -4.439 1.00 30.35 H new ATOM 0 HB3 PRO A 77 2.608 -13.554 -3.542 1.00 30.35 H new ATOM 0 HG2 PRO A 77 2.170 -15.405 -5.597 1.00 31.42 H new ATOM 0 HG3 PRO A 77 3.508 -15.437 -4.466 1.00 31.42 H new ATOM 0 HD2 PRO A 77 1.052 -17.114 -4.509 1.00 54.53 H new ATOM 0 HD3 PRO A 77 2.622 -17.469 -3.815 1.00 54.53 H new ATOM 1141 N LYS A 78 -0.892 -14.040 -1.555 1.00 43.20 N ATOM 1142 CA LYS A 78 -2.300 -13.750 -1.541 1.00 14.42 C ATOM 1143 C LYS A 78 -2.457 -12.301 -1.647 1.00 44.25 C ATOM 1144 O LYS A 78 -1.552 -11.567 -1.296 1.00 70.23 O ATOM 1145 CB LYS A 78 -2.983 -14.158 -0.234 1.00 73.33 C ATOM 1146 CG LYS A 78 -2.711 -15.553 0.269 1.00 15.53 C ATOM 1147 CD LYS A 78 -3.815 -16.007 1.245 1.00 63.12 C ATOM 1148 CE LYS A 78 -4.114 -14.987 2.358 1.00 54.12 C ATOM 1149 NZ LYS A 78 -2.980 -14.748 3.263 1.00 35.12 N ATOM 0 H LYS A 78 -0.390 -13.781 -0.706 1.00 43.20 H new ATOM 0 HA LYS A 78 -2.753 -14.306 -2.362 1.00 14.42 H new ATOM 0 HB2 LYS A 78 -2.682 -13.453 0.541 1.00 73.33 H new ATOM 0 HB3 LYS A 78 -4.060 -14.048 -0.365 1.00 73.33 H new ATOM 0 HG2 LYS A 78 -2.656 -16.244 -0.572 1.00 15.53 H new ATOM 0 HG3 LYS A 78 -1.743 -15.582 0.769 1.00 15.53 H new ATOM 0 HD2 LYS A 78 -4.729 -16.197 0.683 1.00 63.12 H new ATOM 0 HD3 LYS A 78 -3.519 -16.952 1.700 1.00 63.12 H new ATOM 0 HE2 LYS A 78 -4.409 -14.042 1.902 1.00 54.12 H new ATOM 0 HE3 LYS A 78 -4.965 -15.339 2.941 1.00 54.12 H new ATOM 0 HZ1 LYS A 78 -3.025 -13.775 3.627 1.00 35.12 H new ATOM 0 HZ2 LYS A 78 -3.023 -15.417 4.058 1.00 35.12 H new ATOM 0 HZ3 LYS A 78 -2.088 -14.883 2.745 1.00 35.12 H new ATOM 1163 N GLY A 79 -3.573 -11.876 -2.099 1.00 42.04 N ATOM 1164 CA GLY A 79 -3.804 -10.501 -2.157 1.00 21.55 C ATOM 1165 C GLY A 79 -5.163 -10.140 -1.685 1.00 32.02 C ATOM 1166 O GLY A 79 -6.138 -10.892 -1.880 1.00 61.21 O ATOM 0 H GLY A 79 -4.336 -12.465 -2.432 1.00 42.04 H new ATOM 0 HA2 GLY A 79 -3.061 -9.984 -1.550 1.00 21.55 H new ATOM 0 HA3 GLY A 79 -3.674 -10.156 -3.183 1.00 21.55 H new ATOM 1170 N TYR A 80 -5.227 -9.023 -1.066 1.00 72.42 N ATOM 1171 CA TYR A 80 -6.440 -8.440 -0.645 1.00 52.43 C ATOM 1172 C TYR A 80 -6.306 -6.955 -0.743 1.00 31.03 C ATOM 1173 O TYR A 80 -5.226 -6.405 -0.526 1.00 24.12 O ATOM 1174 CB TYR A 80 -6.965 -8.968 0.729 1.00 73.33 C ATOM 1175 CG TYR A 80 -6.054 -8.866 1.950 1.00 50.33 C ATOM 1176 CD1 TYR A 80 -5.044 -9.796 2.170 1.00 5.34 C ATOM 1177 CD2 TYR A 80 -6.246 -7.877 2.907 1.00 14.11 C ATOM 1178 CE1 TYR A 80 -4.245 -9.734 3.297 1.00 23.24 C ATOM 1179 CE2 TYR A 80 -5.455 -7.812 4.050 1.00 74.31 C ATOM 1180 CZ TYR A 80 -4.459 -8.739 4.237 1.00 41.43 C ATOM 1181 OH TYR A 80 -3.675 -8.682 5.382 1.00 60.41 O ATOM 0 H TYR A 80 -4.404 -8.469 -0.830 1.00 72.42 H new ATOM 0 HA TYR A 80 -7.239 -8.756 -1.316 1.00 52.43 H new ATOM 0 HB2 TYR A 80 -7.886 -8.433 0.958 1.00 73.33 H new ATOM 0 HB3 TYR A 80 -7.229 -10.018 0.601 1.00 73.33 H new ATOM 0 HD1 TYR A 80 -4.880 -10.582 1.447 1.00 5.34 H new ATOM 0 HD2 TYR A 80 -7.025 -7.144 2.761 1.00 14.11 H new ATOM 0 HE1 TYR A 80 -3.457 -10.458 3.444 1.00 23.24 H new ATOM 0 HE2 TYR A 80 -5.623 -7.038 4.785 1.00 74.31 H new ATOM 0 HH TYR A 80 -4.094 -8.085 6.036 1.00 60.41 H new ATOM 1191 N ALA A 81 -7.348 -6.308 -1.110 1.00 63.44 N ATOM 1192 CA ALA A 81 -7.285 -4.913 -1.376 1.00 63.12 C ATOM 1193 C ALA A 81 -8.366 -4.195 -0.655 1.00 63.21 C ATOM 1194 O ALA A 81 -9.454 -4.717 -0.482 1.00 60.34 O ATOM 1195 CB ALA A 81 -7.379 -4.655 -2.873 1.00 10.11 C ATOM 0 H ALA A 81 -8.270 -6.726 -1.236 1.00 63.44 H new ATOM 0 HA ALA A 81 -6.327 -4.536 -1.019 1.00 63.12 H new ATOM 0 HB1 ALA A 81 -7.329 -3.583 -3.061 1.00 10.11 H new ATOM 0 HB2 ALA A 81 -6.552 -5.151 -3.380 1.00 10.11 H new ATOM 0 HB3 ALA A 81 -8.323 -5.046 -3.251 1.00 10.11 H new ATOM 1201 N TYR A 82 -8.067 -3.032 -0.214 1.00 22.24 N ATOM 1202 CA TYR A 82 -9.012 -2.217 0.441 1.00 12.32 C ATOM 1203 C TYR A 82 -9.255 -0.988 -0.364 1.00 1.33 C ATOM 1204 O TYR A 82 -8.350 -0.186 -0.593 1.00 41.23 O ATOM 1205 CB TYR A 82 -8.564 -1.899 1.855 1.00 54.32 C ATOM 1206 CG TYR A 82 -8.480 -3.136 2.708 1.00 3.23 C ATOM 1207 CD1 TYR A 82 -9.617 -3.816 3.026 1.00 74.41 C ATOM 1208 CD2 TYR A 82 -7.277 -3.625 3.173 1.00 63.41 C ATOM 1209 CE1 TYR A 82 -9.592 -4.938 3.782 1.00 51.41 C ATOM 1210 CE2 TYR A 82 -7.239 -4.773 3.941 1.00 4.13 C ATOM 1211 CZ TYR A 82 -8.417 -5.420 4.242 1.00 1.44 C ATOM 1212 OH TYR A 82 -8.416 -6.570 4.987 1.00 21.42 O ATOM 0 H TYR A 82 -7.141 -2.613 -0.301 1.00 22.24 H new ATOM 0 HA TYR A 82 -9.956 -2.754 0.527 1.00 12.32 H new ATOM 0 HB2 TYR A 82 -7.590 -1.411 1.826 1.00 54.32 H new ATOM 0 HB3 TYR A 82 -9.261 -1.193 2.307 1.00 54.32 H new ATOM 0 HD1 TYR A 82 -10.566 -3.449 2.664 1.00 74.41 H new ATOM 0 HD2 TYR A 82 -6.359 -3.107 2.935 1.00 63.41 H new ATOM 0 HE1 TYR A 82 -10.514 -5.449 4.018 1.00 51.41 H new ATOM 0 HE2 TYR A 82 -6.297 -5.158 4.301 1.00 4.13 H new ATOM 0 HH TYR A 82 -7.839 -6.452 5.771 1.00 21.42 H new ATOM 1222 N ILE A 83 -10.456 -0.861 -0.832 1.00 12.43 N ATOM 1223 CA ILE A 83 -10.839 0.236 -1.678 1.00 53.44 C ATOM 1224 C ILE A 83 -11.564 1.261 -0.807 1.00 24.11 C ATOM 1225 O ILE A 83 -12.572 0.927 -0.184 1.00 64.03 O ATOM 1226 CB ILE A 83 -11.823 -0.281 -2.782 1.00 73.14 C ATOM 1227 CG1 ILE A 83 -11.268 -1.539 -3.499 1.00 0.32 C ATOM 1228 CG2 ILE A 83 -12.152 0.797 -3.794 1.00 21.54 C ATOM 1229 CD1 ILE A 83 -9.938 -1.358 -4.204 1.00 60.30 C ATOM 0 H ILE A 83 -11.210 -1.520 -0.638 1.00 12.43 H new ATOM 0 HA ILE A 83 -9.964 0.678 -2.153 1.00 53.44 H new ATOM 0 HB ILE A 83 -12.745 -0.557 -2.271 1.00 73.14 H new ATOM 0 HG12 ILE A 83 -11.164 -2.338 -2.764 1.00 0.32 H new ATOM 0 HG13 ILE A 83 -12.004 -1.873 -4.230 1.00 0.32 H new ATOM 0 HG21 ILE A 83 -12.837 0.397 -4.542 1.00 21.54 H new ATOM 0 HG22 ILE A 83 -12.620 1.641 -3.287 1.00 21.54 H new ATOM 0 HG23 ILE A 83 -11.236 1.130 -4.282 1.00 21.54 H new ATOM 0 HD11 ILE A 83 -9.643 -2.298 -4.671 1.00 60.30 H new ATOM 0 HD12 ILE A 83 -10.033 -0.587 -4.969 1.00 60.30 H new ATOM 0 HD13 ILE A 83 -9.180 -1.059 -3.480 1.00 60.30 H new ATOM 1241 N GLU A 84 -11.046 2.473 -0.719 1.00 63.54 N ATOM 1242 CA GLU A 84 -11.683 3.499 0.096 1.00 42.33 C ATOM 1243 C GLU A 84 -12.570 4.379 -0.755 1.00 32.40 C ATOM 1244 O GLU A 84 -12.102 5.022 -1.707 1.00 35.41 O ATOM 1245 CB GLU A 84 -10.652 4.374 0.818 1.00 43.32 C ATOM 1246 CG GLU A 84 -9.695 3.627 1.734 1.00 75.03 C ATOM 1247 CD GLU A 84 -8.796 4.566 2.486 1.00 51.31 C ATOM 1248 OE1 GLU A 84 -7.811 5.030 1.906 1.00 71.12 O ATOM 1249 OE2 GLU A 84 -9.075 4.859 3.649 1.00 1.43 O ATOM 0 H GLU A 84 -10.195 2.772 -1.195 1.00 63.54 H new ATOM 0 HA GLU A 84 -12.284 2.983 0.845 1.00 42.33 H new ATOM 0 HB2 GLU A 84 -10.069 4.912 0.070 1.00 43.32 H new ATOM 0 HB3 GLU A 84 -11.183 5.122 1.406 1.00 43.32 H new ATOM 0 HG2 GLU A 84 -10.265 3.025 2.441 1.00 75.03 H new ATOM 0 HG3 GLU A 84 -9.090 2.939 1.144 1.00 75.03 H new ATOM 1256 N PHE A 85 -13.833 4.405 -0.436 1.00 0.41 N ATOM 1257 CA PHE A 85 -14.768 5.236 -1.134 1.00 41.21 C ATOM 1258 C PHE A 85 -15.033 6.495 -0.346 1.00 45.41 C ATOM 1259 O PHE A 85 -14.886 6.523 0.871 1.00 44.11 O ATOM 1260 CB PHE A 85 -16.084 4.508 -1.371 1.00 31.31 C ATOM 1261 CG PHE A 85 -15.979 3.287 -2.232 1.00 50.14 C ATOM 1262 CD1 PHE A 85 -16.040 3.393 -3.610 1.00 23.24 C ATOM 1263 CD2 PHE A 85 -15.836 2.035 -1.667 1.00 42.22 C ATOM 1264 CE1 PHE A 85 -15.956 2.274 -4.406 1.00 35.02 C ATOM 1265 CE2 PHE A 85 -15.755 0.916 -2.455 1.00 52.21 C ATOM 1266 CZ PHE A 85 -15.814 1.034 -3.825 1.00 53.44 C ATOM 0 H PHE A 85 -14.242 3.850 0.316 1.00 0.41 H new ATOM 0 HA PHE A 85 -14.330 5.489 -2.100 1.00 41.21 H new ATOM 0 HB2 PHE A 85 -16.503 4.221 -0.407 1.00 31.31 H new ATOM 0 HB3 PHE A 85 -16.789 5.201 -1.831 1.00 31.31 H new ATOM 0 HD1 PHE A 85 -16.155 4.365 -4.066 1.00 23.24 H new ATOM 0 HD2 PHE A 85 -15.787 1.936 -0.593 1.00 42.22 H new ATOM 0 HE1 PHE A 85 -16.001 2.368 -5.481 1.00 35.02 H new ATOM 0 HE2 PHE A 85 -15.645 -0.058 -2.001 1.00 52.21 H new ATOM 0 HZ PHE A 85 -15.749 0.152 -4.445 1.00 53.44 H new ATOM 1276 N ALA A 86 -15.393 7.537 -1.048 1.00 70.11 N ATOM 1277 CA ALA A 86 -15.740 8.805 -0.430 1.00 53.21 C ATOM 1278 C ALA A 86 -16.984 8.680 0.442 1.00 42.35 C ATOM 1279 O ALA A 86 -17.076 9.294 1.509 1.00 41.32 O ATOM 1280 CB ALA A 86 -15.951 9.857 -1.502 1.00 12.33 C ATOM 0 H ALA A 86 -15.456 7.538 -2.066 1.00 70.11 H new ATOM 0 HA ALA A 86 -14.915 9.106 0.215 1.00 53.21 H new ATOM 0 HB1 ALA A 86 -16.211 10.806 -1.034 1.00 12.33 H new ATOM 0 HB2 ALA A 86 -15.035 9.976 -2.080 1.00 12.33 H new ATOM 0 HB3 ALA A 86 -16.759 9.545 -2.164 1.00 12.33 H new ATOM 1286 N GLU A 87 -17.916 7.881 -0.016 1.00 63.14 N ATOM 1287 CA GLU A 87 -19.191 7.714 0.644 1.00 12.04 C ATOM 1288 C GLU A 87 -19.419 6.293 1.142 1.00 12.34 C ATOM 1289 O GLU A 87 -19.008 5.316 0.504 1.00 31.23 O ATOM 1290 CB GLU A 87 -20.304 8.076 -0.339 1.00 10.32 C ATOM 1291 CG GLU A 87 -20.415 9.553 -0.666 1.00 11.23 C ATOM 1292 CD GLU A 87 -20.938 10.356 0.498 1.00 55.13 C ATOM 1293 OE1 GLU A 87 -22.163 10.298 0.761 1.00 23.13 O ATOM 1294 OE2 GLU A 87 -20.159 11.043 1.166 1.00 33.42 O ATOM 0 H GLU A 87 -17.812 7.323 -0.864 1.00 63.14 H new ATOM 0 HA GLU A 87 -19.196 8.369 1.515 1.00 12.04 H new ATOM 0 HB2 GLU A 87 -20.143 7.525 -1.266 1.00 10.32 H new ATOM 0 HB3 GLU A 87 -21.255 7.738 0.072 1.00 10.32 H new ATOM 0 HG2 GLU A 87 -19.436 9.934 -0.957 1.00 11.23 H new ATOM 0 HG3 GLU A 87 -21.076 9.685 -1.523 1.00 11.23 H new ATOM 1301 N ARG A 88 -20.101 6.190 2.279 1.00 35.30 N ATOM 1302 CA ARG A 88 -20.578 4.921 2.824 1.00 61.30 C ATOM 1303 C ARG A 88 -21.560 4.295 1.862 1.00 10.11 C ATOM 1304 O ARG A 88 -21.631 3.085 1.728 1.00 13.34 O ATOM 1305 CB ARG A 88 -21.280 5.154 4.164 1.00 51.11 C ATOM 1306 CG ARG A 88 -20.371 5.237 5.366 1.00 51.23 C ATOM 1307 CD ARG A 88 -19.822 3.862 5.686 1.00 42.34 C ATOM 1308 NE ARG A 88 -20.924 2.917 5.935 1.00 34.02 N ATOM 1309 CZ ARG A 88 -20.823 1.585 6.048 1.00 41.21 C ATOM 1310 NH1 ARG A 88 -19.648 0.978 5.966 1.00 75.44 N ATOM 1311 NH2 ARG A 88 -21.914 0.868 6.244 1.00 35.31 N ATOM 0 H ARG A 88 -20.342 6.996 2.856 1.00 35.30 H new ATOM 0 HA ARG A 88 -19.724 4.259 2.971 1.00 61.30 H new ATOM 0 HB2 ARG A 88 -21.853 6.079 4.099 1.00 51.11 H new ATOM 0 HB3 ARG A 88 -21.995 4.347 4.325 1.00 51.11 H new ATOM 0 HG2 ARG A 88 -19.552 5.929 5.168 1.00 51.23 H new ATOM 0 HG3 ARG A 88 -20.920 5.629 6.223 1.00 51.23 H new ATOM 0 HD2 ARG A 88 -19.209 3.506 4.858 1.00 42.34 H new ATOM 0 HD3 ARG A 88 -19.175 3.916 6.562 1.00 42.34 H new ATOM 0 HE ARG A 88 -21.858 3.316 6.031 1.00 34.02 H new ATOM 0 HH11 ARG A 88 -18.801 1.525 5.814 1.00 75.44 H new ATOM 0 HH12 ARG A 88 -19.591 -0.037 6.054 1.00 75.44 H new ATOM 0 HH21 ARG A 88 -22.822 1.328 6.308 1.00 35.31 H new ATOM 0 HH22 ARG A 88 -21.849 -0.146 6.331 1.00 35.31 H new ATOM 1325 N ASN A 89 -22.296 5.143 1.184 1.00 44.50 N ATOM 1326 CA ASN A 89 -23.282 4.715 0.200 1.00 21.03 C ATOM 1327 C ASN A 89 -22.610 3.987 -0.937 1.00 30.44 C ATOM 1328 O ASN A 89 -23.178 3.059 -1.516 1.00 70.12 O ATOM 1329 CB ASN A 89 -24.052 5.910 -0.352 1.00 42.42 C ATOM 1330 CG ASN A 89 -24.920 6.636 0.675 1.00 60.32 C ATOM 1331 OD1 ASN A 89 -24.654 6.620 1.876 1.00 72.41 O ATOM 1332 ND2 ASN A 89 -25.918 7.323 0.208 1.00 35.40 N ATOM 0 H ASN A 89 -22.233 6.155 1.294 1.00 44.50 H new ATOM 0 HA ASN A 89 -23.980 4.043 0.698 1.00 21.03 H new ATOM 0 HB2 ASN A 89 -23.341 6.620 -0.774 1.00 42.42 H new ATOM 0 HB3 ASN A 89 -24.687 5.570 -1.170 1.00 42.42 H new ATOM 0 HD21 ASN A 89 -26.504 7.867 0.842 1.00 35.40 H new ATOM 0 HD22 ASN A 89 -26.116 7.319 -0.793 1.00 35.40 H new ATOM 1339 N SER A 90 -21.382 4.382 -1.259 1.00 11.42 N ATOM 1340 CA SER A 90 -20.646 3.759 -2.309 1.00 44.12 C ATOM 1341 C SER A 90 -20.280 2.328 -1.930 1.00 61.33 C ATOM 1342 O SER A 90 -20.298 1.436 -2.779 1.00 15.21 O ATOM 1343 CB SER A 90 -19.393 4.569 -2.595 1.00 31.24 C ATOM 1344 OG SER A 90 -19.712 5.914 -2.947 1.00 11.53 O ATOM 0 H SER A 90 -20.887 5.141 -0.791 1.00 11.42 H new ATOM 0 HA SER A 90 -21.264 3.723 -3.206 1.00 44.12 H new ATOM 0 HB2 SER A 90 -18.747 4.564 -1.717 1.00 31.24 H new ATOM 0 HB3 SER A 90 -18.833 4.102 -3.405 1.00 31.24 H new ATOM 0 HG SER A 90 -18.886 6.411 -3.124 1.00 11.53 H new ATOM 1350 N VAL A 91 -19.962 2.100 -0.644 1.00 73.23 N ATOM 1351 CA VAL A 91 -19.595 0.765 -0.223 1.00 15.14 C ATOM 1352 C VAL A 91 -20.773 -0.163 -0.377 1.00 20.34 C ATOM 1353 O VAL A 91 -20.608 -1.278 -0.823 1.00 63.42 O ATOM 1354 CB VAL A 91 -18.972 0.649 1.219 1.00 52.44 C ATOM 1355 CG1 VAL A 91 -17.958 1.731 1.469 1.00 52.33 C ATOM 1356 CG2 VAL A 91 -20.002 0.563 2.347 1.00 41.10 C ATOM 0 H VAL A 91 -19.955 2.807 0.091 1.00 73.23 H new ATOM 0 HA VAL A 91 -18.783 0.469 -0.887 1.00 15.14 H new ATOM 0 HB VAL A 91 -18.458 -0.312 1.235 1.00 52.44 H new ATOM 0 HG11 VAL A 91 -17.548 1.621 2.473 1.00 52.33 H new ATOM 0 HG12 VAL A 91 -17.153 1.651 0.738 1.00 52.33 H new ATOM 0 HG13 VAL A 91 -18.436 2.706 1.377 1.00 52.33 H new ATOM 0 HG21 VAL A 91 -19.487 0.486 3.305 1.00 41.10 H new ATOM 0 HG22 VAL A 91 -20.624 1.458 2.341 1.00 41.10 H new ATOM 0 HG23 VAL A 91 -20.630 -0.316 2.200 1.00 41.10 H new ATOM 1366 N ASP A 92 -21.983 0.334 -0.053 1.00 50.15 N ATOM 1367 CA ASP A 92 -23.204 -0.464 -0.206 1.00 75.51 C ATOM 1368 C ASP A 92 -23.426 -0.882 -1.631 1.00 33.23 C ATOM 1369 O ASP A 92 -23.887 -1.989 -1.900 1.00 24.34 O ATOM 1370 CB ASP A 92 -24.448 0.260 0.298 1.00 41.15 C ATOM 1371 CG ASP A 92 -24.726 0.108 1.765 1.00 12.32 C ATOM 1372 OD1 ASP A 92 -24.527 -0.975 2.324 1.00 64.53 O ATOM 1373 OD2 ASP A 92 -25.171 1.086 2.383 1.00 11.13 O ATOM 0 H ASP A 92 -22.135 1.274 0.312 1.00 50.15 H new ATOM 0 HA ASP A 92 -23.047 -1.350 0.409 1.00 75.51 H new ATOM 0 HB2 ASP A 92 -24.348 1.322 0.072 1.00 41.15 H new ATOM 0 HB3 ASP A 92 -25.311 -0.104 -0.259 1.00 41.15 H new ATOM 1378 N ALA A 93 -23.084 -0.014 -2.549 1.00 3.11 N ATOM 1379 CA ALA A 93 -23.245 -0.312 -3.948 1.00 41.23 C ATOM 1380 C ALA A 93 -22.187 -1.315 -4.401 1.00 54.23 C ATOM 1381 O ALA A 93 -22.458 -2.201 -5.206 1.00 53.21 O ATOM 1382 CB ALA A 93 -23.186 0.961 -4.777 1.00 4.32 C ATOM 0 H ALA A 93 -22.692 0.907 -2.351 1.00 3.11 H new ATOM 0 HA ALA A 93 -24.226 -0.762 -4.099 1.00 41.23 H new ATOM 0 HB1 ALA A 93 -23.310 0.715 -5.832 1.00 4.32 H new ATOM 0 HB2 ALA A 93 -23.984 1.635 -4.466 1.00 4.32 H new ATOM 0 HB3 ALA A 93 -22.222 1.447 -4.629 1.00 4.32 H new ATOM 1388 N ALA A 94 -20.990 -1.180 -3.852 1.00 52.34 N ATOM 1389 CA ALA A 94 -19.869 -2.039 -4.217 1.00 11.50 C ATOM 1390 C ALA A 94 -20.030 -3.444 -3.646 1.00 52.34 C ATOM 1391 O ALA A 94 -19.811 -4.425 -4.339 1.00 43.51 O ATOM 1392 CB ALA A 94 -18.562 -1.424 -3.746 1.00 34.52 C ATOM 0 H ALA A 94 -20.767 -0.478 -3.146 1.00 52.34 H new ATOM 0 HA ALA A 94 -19.853 -2.123 -5.304 1.00 11.50 H new ATOM 0 HB1 ALA A 94 -17.733 -2.074 -4.024 1.00 34.52 H new ATOM 0 HB2 ALA A 94 -18.430 -0.448 -4.213 1.00 34.52 H new ATOM 0 HB3 ALA A 94 -18.584 -1.308 -2.662 1.00 34.52 H new ATOM 1398 N VAL A 95 -20.409 -3.519 -2.373 1.00 25.41 N ATOM 1399 CA VAL A 95 -20.653 -4.804 -1.679 1.00 52.13 C ATOM 1400 C VAL A 95 -21.675 -5.687 -2.394 1.00 50.31 C ATOM 1401 O VAL A 95 -21.706 -6.893 -2.191 1.00 74.20 O ATOM 1402 CB VAL A 95 -21.010 -4.655 -0.181 1.00 74.52 C ATOM 1403 CG1 VAL A 95 -19.918 -3.905 0.552 1.00 14.23 C ATOM 1404 CG2 VAL A 95 -22.357 -3.992 0.018 1.00 52.04 C ATOM 0 H VAL A 95 -20.558 -2.699 -1.785 1.00 25.41 H new ATOM 0 HA VAL A 95 -19.689 -5.311 -1.721 1.00 52.13 H new ATOM 0 HB VAL A 95 -21.085 -5.657 0.241 1.00 74.52 H new ATOM 0 HG11 VAL A 95 -20.186 -3.809 1.604 1.00 14.23 H new ATOM 0 HG12 VAL A 95 -18.979 -4.452 0.465 1.00 14.23 H new ATOM 0 HG13 VAL A 95 -19.802 -2.913 0.116 1.00 14.23 H new ATOM 0 HG21 VAL A 95 -22.567 -3.908 1.084 1.00 52.04 H new ATOM 0 HG22 VAL A 95 -22.343 -2.998 -0.429 1.00 52.04 H new ATOM 0 HG23 VAL A 95 -23.132 -4.593 -0.458 1.00 52.04 H new ATOM 1414 N ALA A 96 -22.513 -5.077 -3.226 1.00 74.33 N ATOM 1415 CA ALA A 96 -23.490 -5.817 -4.023 1.00 52.41 C ATOM 1416 C ALA A 96 -22.779 -6.707 -5.053 1.00 75.32 C ATOM 1417 O ALA A 96 -23.347 -7.666 -5.567 1.00 12.04 O ATOM 1418 CB ALA A 96 -24.434 -4.859 -4.716 1.00 44.35 C ATOM 0 H ALA A 96 -22.536 -4.067 -3.367 1.00 74.33 H new ATOM 0 HA ALA A 96 -24.069 -6.456 -3.357 1.00 52.41 H new ATOM 0 HB1 ALA A 96 -25.156 -5.423 -5.306 1.00 44.35 H new ATOM 0 HB2 ALA A 96 -24.961 -4.264 -3.970 1.00 44.35 H new ATOM 0 HB3 ALA A 96 -23.866 -4.199 -5.372 1.00 44.35 H new ATOM 1424 N MET A 97 -21.522 -6.382 -5.322 1.00 42.53 N ATOM 1425 CA MET A 97 -20.705 -7.132 -6.261 1.00 63.10 C ATOM 1426 C MET A 97 -19.854 -8.141 -5.522 1.00 24.34 C ATOM 1427 O MET A 97 -18.941 -8.719 -6.121 1.00 20.23 O ATOM 1428 CB MET A 97 -19.752 -6.213 -7.048 1.00 62.43 C ATOM 1429 CG MET A 97 -20.403 -5.109 -7.850 1.00 24.24 C ATOM 1430 SD MET A 97 -19.203 -4.210 -8.867 1.00 13.43 S ATOM 1431 CE MET A 97 -18.021 -3.639 -7.635 1.00 41.34 C ATOM 0 H MET A 97 -21.041 -5.590 -4.894 1.00 42.53 H new ATOM 0 HA MET A 97 -21.390 -7.625 -6.951 1.00 63.10 H new ATOM 0 HB2 MET A 97 -19.054 -5.760 -6.344 1.00 62.43 H new ATOM 0 HB3 MET A 97 -19.164 -6.830 -7.728 1.00 62.43 H new ATOM 0 HG2 MET A 97 -21.175 -5.534 -8.491 1.00 24.24 H new ATOM 0 HG3 MET A 97 -20.898 -4.413 -7.173 1.00 24.24 H new ATOM 0 HE1 MET A 97 -17.563 -2.710 -7.974 1.00 41.34 H new ATOM 0 HE2 MET A 97 -18.535 -3.466 -6.690 1.00 41.34 H new ATOM 0 HE3 MET A 97 -17.248 -4.395 -7.495 1.00 41.34 H new ATOM 1441 N ASP A 98 -20.118 -8.326 -4.199 1.00 1.12 N ATOM 1442 CA ASP A 98 -19.353 -9.271 -3.347 1.00 11.14 C ATOM 1443 C ASP A 98 -19.069 -10.568 -4.031 1.00 73.33 C ATOM 1444 O ASP A 98 -17.991 -11.093 -3.882 1.00 23.44 O ATOM 1445 CB ASP A 98 -19.986 -9.518 -1.971 1.00 22.40 C ATOM 1446 CG ASP A 98 -21.139 -10.476 -1.975 1.00 4.13 C ATOM 1447 OD1 ASP A 98 -22.215 -10.130 -2.481 1.00 42.15 O ATOM 1448 OD2 ASP A 98 -20.959 -11.602 -1.478 1.00 60.43 O ATOM 0 H ASP A 98 -20.858 -7.830 -3.701 1.00 1.12 H new ATOM 0 HA ASP A 98 -18.403 -8.765 -3.173 1.00 11.14 H new ATOM 0 HB2 ASP A 98 -19.219 -9.897 -1.296 1.00 22.40 H new ATOM 0 HB3 ASP A 98 -20.325 -8.565 -1.566 1.00 22.40 H new ATOM 1453 N GLU A 99 -20.022 -11.121 -4.750 1.00 33.23 N ATOM 1454 CA GLU A 99 -19.723 -12.233 -5.573 1.00 63.55 C ATOM 1455 C GLU A 99 -19.607 -11.779 -7.018 1.00 14.53 C ATOM 1456 O GLU A 99 -20.611 -11.501 -7.683 1.00 23.34 O ATOM 1457 CB GLU A 99 -20.768 -13.332 -5.438 1.00 41.15 C ATOM 1458 CG GLU A 99 -20.429 -14.571 -6.242 1.00 13.24 C ATOM 1459 CD GLU A 99 -21.462 -15.643 -6.121 1.00 12.52 C ATOM 1460 OE1 GLU A 99 -21.450 -16.376 -5.108 1.00 4.14 O ATOM 1461 OE2 GLU A 99 -22.295 -15.777 -7.046 1.00 51.43 O ATOM 0 H GLU A 99 -20.994 -10.811 -4.770 1.00 33.23 H new ATOM 0 HA GLU A 99 -18.771 -12.653 -5.247 1.00 63.55 H new ATOM 0 HB2 GLU A 99 -20.869 -13.603 -4.387 1.00 41.15 H new ATOM 0 HB3 GLU A 99 -21.735 -12.948 -5.762 1.00 41.15 H new ATOM 0 HG2 GLU A 99 -20.317 -14.298 -7.291 1.00 13.24 H new ATOM 0 HG3 GLU A 99 -19.467 -14.961 -5.910 1.00 13.24 H new ATOM 1468 N THR A 100 -18.395 -11.642 -7.460 1.00 61.34 N ATOM 1469 CA THR A 100 -18.088 -11.328 -8.836 1.00 61.04 C ATOM 1470 C THR A 100 -16.886 -12.104 -9.292 1.00 51.24 C ATOM 1471 O THR A 100 -15.988 -12.400 -8.494 1.00 44.24 O ATOM 1472 CB THR A 100 -17.923 -9.796 -9.138 1.00 12.05 C ATOM 1473 OG1 THR A 100 -17.150 -9.126 -8.122 1.00 33.14 O ATOM 1474 CG2 THR A 100 -19.264 -9.102 -9.343 1.00 45.23 C ATOM 0 H THR A 100 -17.570 -11.746 -6.869 1.00 61.34 H new ATOM 0 HA THR A 100 -18.962 -11.633 -9.412 1.00 61.04 H new ATOM 0 HB THR A 100 -17.371 -9.728 -10.075 1.00 12.05 H new ATOM 0 HG1 THR A 100 -17.718 -8.948 -7.343 1.00 33.14 H new ATOM 0 HG21 THR A 100 -19.099 -8.044 -9.549 1.00 45.23 H new ATOM 0 HG22 THR A 100 -19.785 -9.558 -10.185 1.00 45.23 H new ATOM 0 HG23 THR A 100 -19.869 -9.206 -8.442 1.00 45.23 H new ATOM 1482 N VAL A 101 -16.859 -12.438 -10.546 1.00 15.13 N ATOM 1483 CA VAL A 101 -15.791 -13.194 -11.096 1.00 51.44 C ATOM 1484 C VAL A 101 -15.030 -12.327 -12.086 1.00 23.12 C ATOM 1485 O VAL A 101 -15.384 -12.188 -13.269 1.00 4.15 O ATOM 1486 CB VAL A 101 -16.269 -14.557 -11.688 1.00 22.05 C ATOM 1487 CG1 VAL A 101 -17.402 -14.370 -12.679 1.00 33.52 C ATOM 1488 CG2 VAL A 101 -15.116 -15.323 -12.316 1.00 62.31 C ATOM 0 H VAL A 101 -17.586 -12.189 -11.216 1.00 15.13 H new ATOM 0 HA VAL A 101 -15.101 -13.478 -10.301 1.00 51.44 H new ATOM 0 HB VAL A 101 -16.652 -15.151 -10.859 1.00 22.05 H new ATOM 0 HG11 VAL A 101 -17.708 -15.341 -13.070 1.00 33.52 H new ATOM 0 HG12 VAL A 101 -18.248 -13.897 -12.180 1.00 33.52 H new ATOM 0 HG13 VAL A 101 -17.066 -13.738 -13.501 1.00 33.52 H new ATOM 0 HG21 VAL A 101 -15.483 -16.267 -12.719 1.00 62.31 H new ATOM 0 HG22 VAL A 101 -14.681 -14.730 -13.120 1.00 62.31 H new ATOM 0 HG23 VAL A 101 -14.357 -15.522 -11.560 1.00 62.31 H new ATOM 1498 N PHE A 102 -14.022 -11.709 -11.576 1.00 22.15 N ATOM 1499 CA PHE A 102 -13.267 -10.750 -12.300 1.00 74.42 C ATOM 1500 C PHE A 102 -11.890 -11.332 -12.529 1.00 2.33 C ATOM 1501 O PHE A 102 -11.265 -11.819 -11.597 1.00 11.55 O ATOM 1502 CB PHE A 102 -13.227 -9.458 -11.465 1.00 73.22 C ATOM 1503 CG PHE A 102 -12.668 -8.249 -12.149 1.00 54.54 C ATOM 1504 CD1 PHE A 102 -13.347 -7.663 -13.206 1.00 65.03 C ATOM 1505 CD2 PHE A 102 -11.482 -7.684 -11.728 1.00 4.12 C ATOM 1506 CE1 PHE A 102 -12.850 -6.540 -13.832 1.00 42.32 C ATOM 1507 CE2 PHE A 102 -10.983 -6.558 -12.347 1.00 24.02 C ATOM 1508 CZ PHE A 102 -11.666 -5.985 -13.400 1.00 11.21 C ATOM 0 H PHE A 102 -13.693 -11.861 -10.622 1.00 22.15 H new ATOM 0 HA PHE A 102 -13.702 -10.512 -13.270 1.00 74.42 H new ATOM 0 HB2 PHE A 102 -14.241 -9.229 -11.138 1.00 73.22 H new ATOM 0 HB3 PHE A 102 -12.638 -9.648 -10.568 1.00 73.22 H new ATOM 0 HD1 PHE A 102 -14.279 -8.092 -13.544 1.00 65.03 H new ATOM 0 HD2 PHE A 102 -10.940 -8.128 -10.906 1.00 4.12 H new ATOM 0 HE1 PHE A 102 -13.387 -6.097 -14.658 1.00 42.32 H new ATOM 0 HE2 PHE A 102 -10.055 -6.123 -12.007 1.00 24.02 H new ATOM 0 HZ PHE A 102 -11.273 -5.103 -13.884 1.00 11.21 H new ATOM 1518 N ARG A 103 -11.441 -11.314 -13.776 1.00 53.51 N ATOM 1519 CA ARG A 103 -10.169 -11.920 -14.209 1.00 71.53 C ATOM 1520 C ARG A 103 -10.200 -13.449 -13.932 1.00 41.41 C ATOM 1521 O ARG A 103 -9.184 -14.081 -13.653 1.00 41.45 O ATOM 1522 CB ARG A 103 -8.975 -11.251 -13.501 1.00 42.33 C ATOM 1523 CG ARG A 103 -7.646 -11.519 -14.186 1.00 40.02 C ATOM 1524 CD ARG A 103 -6.482 -10.942 -13.417 1.00 32.10 C ATOM 1525 NE ARG A 103 -5.238 -11.054 -14.180 1.00 32.10 N ATOM 1526 CZ ARG A 103 -4.331 -12.023 -14.049 1.00 23.41 C ATOM 1527 NH1 ARG A 103 -4.574 -13.075 -13.268 1.00 14.43 N ATOM 1528 NH2 ARG A 103 -3.204 -11.963 -14.733 1.00 34.52 N ATOM 0 H ARG A 103 -11.954 -10.871 -14.538 1.00 53.51 H new ATOM 0 HA ARG A 103 -10.045 -11.761 -15.280 1.00 71.53 H new ATOM 0 HB2 ARG A 103 -9.143 -10.175 -13.457 1.00 42.33 H new ATOM 0 HB3 ARG A 103 -8.925 -11.608 -12.472 1.00 42.33 H new ATOM 0 HG2 ARG A 103 -7.508 -12.594 -14.299 1.00 40.02 H new ATOM 0 HG3 ARG A 103 -7.664 -11.093 -15.189 1.00 40.02 H new ATOM 0 HD2 ARG A 103 -6.678 -9.895 -13.187 1.00 32.10 H new ATOM 0 HD3 ARG A 103 -6.377 -11.463 -12.466 1.00 32.10 H new ATOM 0 HE ARG A 103 -5.048 -10.329 -14.871 1.00 32.10 H new ATOM 0 HH11 ARG A 103 -5.459 -13.143 -12.765 1.00 14.43 H new ATOM 0 HH12 ARG A 103 -3.875 -13.812 -13.173 1.00 14.43 H new ATOM 0 HH21 ARG A 103 -3.029 -11.177 -15.359 1.00 34.52 H new ATOM 0 HH22 ARG A 103 -2.508 -12.702 -14.635 1.00 34.52 H new ATOM 1542 N GLY A 104 -11.391 -14.010 -14.054 1.00 12.50 N ATOM 1543 CA GLY A 104 -11.602 -15.449 -13.893 1.00 44.54 C ATOM 1544 C GLY A 104 -11.623 -15.927 -12.445 1.00 1.23 C ATOM 1545 O GLY A 104 -11.847 -17.116 -12.174 1.00 75.15 O ATOM 0 H GLY A 104 -12.241 -13.487 -14.267 1.00 12.50 H new ATOM 0 HA2 GLY A 104 -12.546 -15.720 -14.366 1.00 44.54 H new ATOM 0 HA3 GLY A 104 -10.814 -15.981 -14.427 1.00 44.54 H new ATOM 1549 N ARG A 105 -11.407 -15.035 -11.519 1.00 14.32 N ATOM 1550 CA ARG A 105 -11.395 -15.405 -10.122 1.00 72.12 C ATOM 1551 C ARG A 105 -12.576 -14.769 -9.420 1.00 64.32 C ATOM 1552 O ARG A 105 -12.947 -13.630 -9.721 1.00 14.35 O ATOM 1553 CB ARG A 105 -10.078 -14.971 -9.455 1.00 11.51 C ATOM 1554 CG ARG A 105 -9.860 -13.469 -9.442 1.00 13.44 C ATOM 1555 CD ARG A 105 -8.544 -13.071 -8.821 1.00 73.31 C ATOM 1556 NE ARG A 105 -7.379 -13.567 -9.570 1.00 24.15 N ATOM 1557 CZ ARG A 105 -6.230 -12.903 -9.708 1.00 72.30 C ATOM 1558 NH1 ARG A 105 -6.143 -11.632 -9.320 1.00 64.31 N ATOM 1559 NH2 ARG A 105 -5.185 -13.495 -10.279 1.00 13.52 N ATOM 0 H ARG A 105 -11.236 -14.046 -11.701 1.00 14.32 H new ATOM 0 HA ARG A 105 -11.471 -16.489 -10.043 1.00 72.12 H new ATOM 0 HB2 ARG A 105 -10.063 -15.339 -8.429 1.00 11.51 H new ATOM 0 HB3 ARG A 105 -9.245 -15.444 -9.975 1.00 11.51 H new ATOM 0 HG2 ARG A 105 -9.902 -13.092 -10.464 1.00 13.44 H new ATOM 0 HG3 ARG A 105 -10.673 -12.994 -8.893 1.00 13.44 H new ATOM 0 HD2 ARG A 105 -8.492 -11.984 -8.759 1.00 73.31 H new ATOM 0 HD3 ARG A 105 -8.501 -13.451 -7.800 1.00 73.31 H new ATOM 0 HE ARG A 105 -7.455 -14.482 -10.015 1.00 24.15 H new ATOM 0 HH11 ARG A 105 -6.955 -11.165 -8.917 1.00 64.31 H new ATOM 0 HH12 ARG A 105 -5.264 -11.125 -9.426 1.00 64.31 H new ATOM 0 HH21 ARG A 105 -5.262 -14.456 -10.611 1.00 13.52 H new ATOM 0 HH22 ARG A 105 -4.306 -12.988 -10.385 1.00 13.52 H new ATOM 1573 N THR A 106 -13.177 -15.488 -8.525 1.00 74.34 N ATOM 1574 CA THR A 106 -14.262 -14.954 -7.774 1.00 43.02 C ATOM 1575 C THR A 106 -13.695 -14.171 -6.610 1.00 42.01 C ATOM 1576 O THR A 106 -12.993 -14.723 -5.758 1.00 54.02 O ATOM 1577 CB THR A 106 -15.162 -16.082 -7.249 1.00 4.25 C ATOM 1578 OG1 THR A 106 -15.555 -16.916 -8.349 1.00 62.02 O ATOM 1579 CG2 THR A 106 -16.409 -15.510 -6.577 1.00 22.13 C ATOM 0 H THR A 106 -12.931 -16.451 -8.298 1.00 74.34 H new ATOM 0 HA THR A 106 -14.864 -14.307 -8.412 1.00 43.02 H new ATOM 0 HB THR A 106 -14.607 -16.663 -6.513 1.00 4.25 H new ATOM 0 HG1 THR A 106 -16.129 -17.640 -8.022 1.00 62.02 H new ATOM 0 HG21 THR A 106 -17.033 -16.326 -6.212 1.00 22.13 H new ATOM 0 HG22 THR A 106 -16.113 -14.877 -5.740 1.00 22.13 H new ATOM 0 HG23 THR A 106 -16.972 -14.918 -7.298 1.00 22.13 H new ATOM 1587 N ILE A 107 -13.994 -12.922 -6.563 1.00 75.55 N ATOM 1588 CA ILE A 107 -13.499 -12.082 -5.514 1.00 51.54 C ATOM 1589 C ILE A 107 -14.576 -11.859 -4.498 1.00 43.04 C ATOM 1590 O ILE A 107 -15.712 -12.299 -4.690 1.00 34.20 O ATOM 1591 CB ILE A 107 -12.983 -10.710 -6.049 1.00 21.43 C ATOM 1592 CG1 ILE A 107 -14.106 -9.944 -6.779 1.00 63.43 C ATOM 1593 CG2 ILE A 107 -11.772 -10.908 -6.961 1.00 2.44 C ATOM 1594 CD1 ILE A 107 -13.698 -8.572 -7.292 1.00 21.35 C ATOM 0 H ILE A 107 -14.586 -12.448 -7.245 1.00 75.55 H new ATOM 0 HA ILE A 107 -12.651 -12.592 -5.056 1.00 51.54 H new ATOM 0 HB ILE A 107 -12.670 -10.108 -5.196 1.00 21.43 H new ATOM 0 HG12 ILE A 107 -14.452 -10.545 -7.620 1.00 63.43 H new ATOM 0 HG13 ILE A 107 -14.951 -9.828 -6.100 1.00 63.43 H new ATOM 0 HG21 ILE A 107 -11.427 -9.940 -7.324 1.00 2.44 H new ATOM 0 HG22 ILE A 107 -10.971 -11.392 -6.402 1.00 2.44 H new ATOM 0 HG23 ILE A 107 -12.053 -11.534 -7.808 1.00 2.44 H new ATOM 0 HD11 ILE A 107 -14.546 -8.103 -7.791 1.00 21.35 H new ATOM 0 HD12 ILE A 107 -13.381 -7.950 -6.455 1.00 21.35 H new ATOM 0 HD13 ILE A 107 -12.874 -8.678 -7.998 1.00 21.35 H new ATOM 1606 N LYS A 108 -14.219 -11.244 -3.410 1.00 12.11 N ATOM 1607 CA LYS A 108 -15.140 -10.984 -2.336 1.00 62.22 C ATOM 1608 C LYS A 108 -14.990 -9.556 -1.912 1.00 62.22 C ATOM 1609 O LYS A 108 -13.878 -9.093 -1.725 1.00 44.22 O ATOM 1610 CB LYS A 108 -14.846 -11.904 -1.132 1.00 41.51 C ATOM 1611 CG LYS A 108 -15.765 -11.684 0.083 1.00 50.24 C ATOM 1612 CD LYS A 108 -17.215 -12.026 -0.236 1.00 23.34 C ATOM 1613 CE LYS A 108 -18.143 -11.747 0.944 1.00 10.34 C ATOM 1614 NZ LYS A 108 -19.532 -12.227 0.693 1.00 1.13 N ATOM 0 H LYS A 108 -13.273 -10.904 -3.238 1.00 12.11 H new ATOM 0 HA LYS A 108 -16.156 -11.177 -2.681 1.00 62.22 H new ATOM 0 HB2 LYS A 108 -14.934 -12.941 -1.454 1.00 41.51 H new ATOM 0 HB3 LYS A 108 -13.812 -11.754 -0.821 1.00 41.51 H new ATOM 0 HG2 LYS A 108 -15.421 -12.298 0.915 1.00 50.24 H new ATOM 0 HG3 LYS A 108 -15.699 -10.645 0.405 1.00 50.24 H new ATOM 0 HD2 LYS A 108 -17.542 -11.447 -1.099 1.00 23.34 H new ATOM 0 HD3 LYS A 108 -17.287 -13.078 -0.512 1.00 23.34 H new ATOM 0 HE2 LYS A 108 -17.749 -12.232 1.837 1.00 10.34 H new ATOM 0 HE3 LYS A 108 -18.161 -10.676 1.145 1.00 10.34 H new ATOM 0 HZ1 LYS A 108 -20.185 -11.763 1.357 1.00 1.13 H new ATOM 0 HZ2 LYS A 108 -19.808 -11.996 -0.283 1.00 1.13 H new ATOM 0 HZ3 LYS A 108 -19.573 -13.257 0.829 1.00 1.13 H new ATOM 1628 N VAL A 109 -16.085 -8.866 -1.774 1.00 33.11 N ATOM 1629 CA VAL A 109 -16.057 -7.528 -1.285 1.00 41.42 C ATOM 1630 C VAL A 109 -17.026 -7.364 -0.134 1.00 31.20 C ATOM 1631 O VAL A 109 -18.218 -7.653 -0.271 1.00 41.30 O ATOM 1632 CB VAL A 109 -16.206 -6.405 -2.385 1.00 71.41 C ATOM 1633 CG1 VAL A 109 -17.422 -6.562 -3.254 1.00 5.11 C ATOM 1634 CG2 VAL A 109 -16.161 -5.023 -1.762 1.00 0.52 C ATOM 0 H VAL A 109 -17.016 -9.218 -1.998 1.00 33.11 H new ATOM 0 HA VAL A 109 -15.046 -7.368 -0.911 1.00 41.42 H new ATOM 0 HB VAL A 109 -15.349 -6.525 -3.047 1.00 71.41 H new ATOM 0 HG11 VAL A 109 -17.454 -5.753 -3.984 1.00 5.11 H new ATOM 0 HG12 VAL A 109 -17.376 -7.519 -3.774 1.00 5.11 H new ATOM 0 HG13 VAL A 109 -18.318 -6.528 -2.635 1.00 5.11 H new ATOM 0 HG21 VAL A 109 -16.266 -4.269 -2.542 1.00 0.52 H new ATOM 0 HG22 VAL A 109 -16.976 -4.920 -1.046 1.00 0.52 H new ATOM 0 HG23 VAL A 109 -15.209 -4.886 -1.250 1.00 0.52 H new ATOM 1644 N LEU A 110 -16.529 -6.928 1.003 1.00 41.12 N ATOM 1645 CA LEU A 110 -17.379 -6.739 2.139 1.00 10.52 C ATOM 1646 C LEU A 110 -16.935 -5.488 2.888 1.00 74.30 C ATOM 1647 O LEU A 110 -15.748 -5.163 2.869 1.00 13.14 O ATOM 1648 CB LEU A 110 -17.607 -8.071 2.997 1.00 42.35 C ATOM 1649 CG LEU A 110 -16.835 -8.479 4.308 1.00 70.20 C ATOM 1650 CD1 LEU A 110 -15.411 -8.865 4.104 1.00 35.34 C ATOM 1651 CD2 LEU A 110 -16.973 -7.469 5.419 1.00 24.21 C ATOM 0 H LEU A 110 -15.546 -6.701 1.157 1.00 41.12 H new ATOM 0 HA LEU A 110 -18.402 -6.542 1.817 1.00 10.52 H new ATOM 0 HB2 LEU A 110 -18.663 -8.068 3.268 1.00 42.35 H new ATOM 0 HB3 LEU A 110 -17.459 -8.897 2.301 1.00 42.35 H new ATOM 0 HG LEU A 110 -17.344 -9.390 4.624 1.00 70.20 H new ATOM 0 HD11 LEU A 110 -14.965 -9.129 5.063 1.00 35.34 H new ATOM 0 HD12 LEU A 110 -15.359 -9.721 3.431 1.00 35.34 H new ATOM 0 HD13 LEU A 110 -14.866 -8.028 3.668 1.00 35.34 H new ATOM 0 HD21 LEU A 110 -16.418 -7.811 6.292 1.00 24.21 H new ATOM 0 HD22 LEU A 110 -16.576 -6.509 5.089 1.00 24.21 H new ATOM 0 HD23 LEU A 110 -18.025 -7.356 5.679 1.00 24.21 H new ATOM 1663 N PRO A 111 -17.871 -4.742 3.508 1.00 52.10 N ATOM 1664 CA PRO A 111 -17.562 -3.446 4.099 1.00 64.45 C ATOM 1665 C PRO A 111 -16.666 -3.524 5.340 1.00 25.12 C ATOM 1666 O PRO A 111 -16.917 -4.301 6.279 1.00 72.24 O ATOM 1667 CB PRO A 111 -18.931 -2.837 4.414 1.00 63.12 C ATOM 1668 CG PRO A 111 -19.867 -3.992 4.521 1.00 71.31 C ATOM 1669 CD PRO A 111 -19.288 -5.118 3.707 1.00 71.42 C ATOM 0 HA PRO A 111 -16.975 -2.836 3.413 1.00 64.45 H new ATOM 0 HB2 PRO A 111 -18.903 -2.268 5.343 1.00 63.12 H new ATOM 0 HB3 PRO A 111 -19.245 -2.149 3.628 1.00 63.12 H new ATOM 0 HG2 PRO A 111 -19.987 -4.293 5.562 1.00 71.31 H new ATOM 0 HG3 PRO A 111 -20.856 -3.720 4.151 1.00 71.31 H new ATOM 0 HD2 PRO A 111 -19.376 -6.071 4.229 1.00 71.42 H new ATOM 0 HD3 PRO A 111 -19.807 -5.227 2.755 1.00 71.42 H new ATOM 1677 N LYS A 112 -15.639 -2.706 5.322 1.00 42.34 N ATOM 1678 CA LYS A 112 -14.635 -2.637 6.369 1.00 11.32 C ATOM 1679 C LYS A 112 -15.129 -1.907 7.611 1.00 22.51 C ATOM 1680 O LYS A 112 -16.032 -1.062 7.532 1.00 21.12 O ATOM 1681 CB LYS A 112 -13.431 -1.884 5.859 1.00 73.02 C ATOM 1682 CG LYS A 112 -12.462 -2.600 4.982 1.00 32.32 C ATOM 1683 CD LYS A 112 -11.353 -1.617 4.586 1.00 75.53 C ATOM 1684 CE LYS A 112 -10.666 -0.984 5.801 1.00 72.44 C ATOM 1685 NZ LYS A 112 -9.683 0.035 5.415 1.00 32.32 N ATOM 0 H LYS A 112 -15.471 -2.050 4.559 1.00 42.34 H new ATOM 0 HA LYS A 112 -14.394 -3.666 6.638 1.00 11.32 H new ATOM 0 HB2 LYS A 112 -13.792 -1.013 5.312 1.00 73.02 H new ATOM 0 HB3 LYS A 112 -12.882 -1.512 6.724 1.00 73.02 H new ATOM 0 HG2 LYS A 112 -12.040 -3.458 5.504 1.00 32.32 H new ATOM 0 HG3 LYS A 112 -12.965 -2.983 4.094 1.00 32.32 H new ATOM 0 HD2 LYS A 112 -10.609 -2.138 3.983 1.00 75.53 H new ATOM 0 HD3 LYS A 112 -11.776 -0.830 3.961 1.00 75.53 H new ATOM 0 HE2 LYS A 112 -11.419 -0.533 6.448 1.00 72.44 H new ATOM 0 HE3 LYS A 112 -10.171 -1.762 6.382 1.00 72.44 H new ATOM 0 HZ1 LYS A 112 -9.244 0.435 6.269 1.00 32.32 H new ATOM 0 HZ2 LYS A 112 -8.949 -0.399 4.819 1.00 32.32 H new ATOM 0 HZ3 LYS A 112 -10.158 0.792 4.883 1.00 32.32 H new ATOM 1699 N ARG A 113 -14.550 -2.265 8.758 1.00 44.43 N ATOM 1700 CA ARG A 113 -14.809 -1.576 10.013 1.00 52.23 C ATOM 1701 C ARG A 113 -13.817 -1.975 11.113 1.00 52.31 C ATOM 1702 O ARG A 113 -13.136 -3.012 11.017 1.00 4.33 O ATOM 1703 CB ARG A 113 -16.216 -1.865 10.521 1.00 53.22 C ATOM 1704 CG ARG A 113 -16.500 -3.335 10.777 1.00 33.53 C ATOM 1705 CD ARG A 113 -17.811 -3.493 11.490 1.00 42.01 C ATOM 1706 NE ARG A 113 -17.767 -2.825 12.796 1.00 12.22 N ATOM 1707 CZ ARG A 113 -18.817 -2.588 13.577 1.00 14.13 C ATOM 1708 NH1 ARG A 113 -20.025 -3.026 13.235 1.00 23.03 N ATOM 1709 NH2 ARG A 113 -18.658 -1.920 14.712 1.00 71.34 N ATOM 0 H ARG A 113 -13.891 -3.039 8.838 1.00 44.43 H new ATOM 0 HA ARG A 113 -14.695 -0.514 9.797 1.00 52.23 H new ATOM 0 HB2 ARG A 113 -16.377 -1.310 11.445 1.00 53.22 H new ATOM 0 HB3 ARG A 113 -16.936 -1.489 9.794 1.00 53.22 H new ATOM 0 HG2 ARG A 113 -16.524 -3.878 9.832 1.00 33.53 H new ATOM 0 HG3 ARG A 113 -15.698 -3.769 11.374 1.00 33.53 H new ATOM 0 HD2 ARG A 113 -18.614 -3.071 10.886 1.00 42.01 H new ATOM 0 HD3 ARG A 113 -18.035 -4.551 11.623 1.00 42.01 H new ATOM 0 HE ARG A 113 -16.855 -2.517 13.133 1.00 12.22 H new ATOM 0 HH11 ARG A 113 -20.152 -3.548 12.368 1.00 23.03 H new ATOM 0 HH12 ARG A 113 -20.825 -2.840 13.840 1.00 23.03 H new ATOM 0 HH21 ARG A 113 -17.732 -1.589 14.984 1.00 71.34 H new ATOM 0 HH22 ARG A 113 -19.462 -1.737 15.313 1.00 71.34 H new ATOM 1723 N THR A 114 -13.739 -1.117 12.131 1.00 15.22 N ATOM 1724 CA THR A 114 -13.039 -1.367 13.388 1.00 44.15 C ATOM 1725 C THR A 114 -11.478 -1.434 13.261 1.00 44.53 C ATOM 1726 O THR A 114 -10.776 -1.913 14.166 1.00 2.25 O ATOM 1727 CB THR A 114 -13.658 -2.621 14.097 1.00 60.54 C ATOM 1728 OG1 THR A 114 -15.098 -2.422 14.160 1.00 44.51 O ATOM 1729 CG2 THR A 114 -13.159 -2.766 15.542 1.00 70.14 C ATOM 0 H THR A 114 -14.178 -0.197 12.100 1.00 15.22 H new ATOM 0 HA THR A 114 -13.197 -0.496 14.023 1.00 44.15 H new ATOM 0 HB THR A 114 -13.373 -3.510 13.535 1.00 60.54 H new ATOM 0 HG1 THR A 114 -15.537 -3.272 14.371 1.00 44.51 H new ATOM 0 HG21 THR A 114 -13.612 -3.647 15.997 1.00 70.14 H new ATOM 0 HG22 THR A 114 -12.074 -2.874 15.543 1.00 70.14 H new ATOM 0 HG23 THR A 114 -13.436 -1.880 16.113 1.00 70.14 H new ATOM 1737 N ASN A 115 -10.927 -0.916 12.197 1.00 52.42 N ATOM 1738 CA ASN A 115 -9.480 -0.845 12.127 1.00 1.32 C ATOM 1739 C ASN A 115 -9.048 0.536 12.529 1.00 74.12 C ATOM 1740 O ASN A 115 -9.491 1.532 11.950 1.00 64.24 O ATOM 1741 CB ASN A 115 -8.912 -1.168 10.747 1.00 75.43 C ATOM 1742 CG ASN A 115 -7.376 -1.117 10.734 1.00 23.42 C ATOM 1743 OD1 ASN A 115 -6.714 -1.439 11.733 1.00 45.54 O ATOM 1744 ND2 ASN A 115 -6.806 -0.686 9.640 1.00 31.54 N ATOM 0 H ASN A 115 -11.430 -0.547 11.390 1.00 52.42 H new ATOM 0 HA ASN A 115 -9.090 -1.605 12.805 1.00 1.32 H new ATOM 0 HB2 ASN A 115 -9.245 -2.159 10.440 1.00 75.43 H new ATOM 0 HB3 ASN A 115 -9.305 -0.460 10.018 1.00 75.43 H new ATOM 0 HD21 ASN A 115 -5.790 -0.607 9.591 1.00 31.54 H new ATOM 0 HD22 ASN A 115 -7.377 -0.429 8.835 1.00 31.54 H new ATOM 1751 N MET A 116 -8.229 0.616 13.523 1.00 75.23 N ATOM 1752 CA MET A 116 -7.726 1.878 13.948 1.00 70.44 C ATOM 1753 C MET A 116 -6.217 1.848 13.900 1.00 31.14 C ATOM 1754 O MET A 116 -5.570 1.316 14.807 1.00 63.54 O ATOM 1755 CB MET A 116 -8.228 2.235 15.349 1.00 41.31 C ATOM 1756 CG MET A 116 -7.793 3.604 15.829 1.00 23.34 C ATOM 1757 SD MET A 116 -8.419 3.982 17.473 1.00 21.13 S ATOM 1758 CE MET A 116 -7.786 5.645 17.680 1.00 2.52 C ATOM 0 H MET A 116 -7.892 -0.183 14.059 1.00 75.23 H new ATOM 0 HA MET A 116 -8.092 2.653 13.274 1.00 70.44 H new ATOM 0 HB2 MET A 116 -9.317 2.188 15.357 1.00 41.31 H new ATOM 0 HB3 MET A 116 -7.871 1.484 16.054 1.00 41.31 H new ATOM 0 HG2 MET A 116 -6.704 3.655 15.837 1.00 23.34 H new ATOM 0 HG3 MET A 116 -8.142 4.361 15.127 1.00 23.34 H new ATOM 0 HE1 MET A 116 -8.355 6.157 18.457 1.00 2.52 H new ATOM 0 HE2 MET A 116 -6.736 5.601 17.968 1.00 2.52 H new ATOM 0 HE3 MET A 116 -7.882 6.190 16.741 1.00 2.52 H new ATOM 1768 N PRO A 117 -5.639 2.331 12.794 1.00 24.41 N ATOM 1769 CA PRO A 117 -4.196 2.402 12.628 1.00 12.52 C ATOM 1770 C PRO A 117 -3.547 3.245 13.713 1.00 20.33 C ATOM 1771 O PRO A 117 -3.754 4.472 13.791 1.00 22.54 O ATOM 1772 CB PRO A 117 -4.022 3.045 11.255 1.00 55.35 C ATOM 1773 CG PRO A 117 -5.280 2.718 10.553 1.00 44.20 C ATOM 1774 CD PRO A 117 -6.342 2.812 11.596 1.00 12.32 C ATOM 0 HA PRO A 117 -3.720 1.424 12.703 1.00 12.52 H new ATOM 0 HB2 PRO A 117 -3.875 4.122 11.333 1.00 55.35 H new ATOM 0 HB3 PRO A 117 -3.155 2.642 10.731 1.00 55.35 H new ATOM 0 HG2 PRO A 117 -5.468 3.414 9.735 1.00 44.20 H new ATOM 0 HG3 PRO A 117 -5.241 1.719 10.119 1.00 44.20 H new ATOM 0 HD2 PRO A 117 -6.704 3.833 11.718 1.00 12.32 H new ATOM 0 HD3 PRO A 117 -7.207 2.194 11.355 1.00 12.32 H new ATOM 1782 N GLY A 118 -2.812 2.580 14.552 1.00 71.12 N ATOM 1783 CA GLY A 118 -2.150 3.219 15.649 1.00 4.21 C ATOM 1784 C GLY A 118 -1.089 2.329 16.226 1.00 75.34 C ATOM 1785 O GLY A 118 -0.183 2.799 16.933 1.00 22.31 O ATOM 0 H GLY A 118 -2.654 1.574 14.495 1.00 71.12 H new ATOM 0 HA2 GLY A 118 -1.703 4.155 15.314 1.00 4.21 H new ATOM 0 HA3 GLY A 118 -2.877 3.472 16.420 1.00 4.21 H new ATOM 1789 N ILE A 119 -1.216 1.013 15.954 1.00 24.03 N ATOM 1790 CA ILE A 119 -0.226 0.009 16.358 1.00 74.53 C ATOM 1791 C ILE A 119 -0.289 -0.304 17.886 1.00 1.32 C ATOM 1792 O ILE A 119 0.250 -1.310 18.340 1.00 40.44 O ATOM 1793 CB ILE A 119 1.266 0.400 15.870 1.00 64.03 C ATOM 1794 CG1 ILE A 119 1.444 0.303 14.322 1.00 51.34 C ATOM 1795 CG2 ILE A 119 2.362 -0.390 16.565 1.00 72.33 C ATOM 1796 CD1 ILE A 119 0.670 1.313 13.495 1.00 52.23 C ATOM 0 H ILE A 119 -2.011 0.623 15.447 1.00 24.03 H new ATOM 0 HA ILE A 119 -0.490 -0.916 15.846 1.00 74.53 H new ATOM 0 HB ILE A 119 1.376 1.444 16.164 1.00 64.03 H new ATOM 0 HG12 ILE A 119 2.504 0.411 14.091 1.00 51.34 H new ATOM 0 HG13 ILE A 119 1.149 -0.697 14.005 1.00 51.34 H new ATOM 0 HG21 ILE A 119 3.334 -0.074 16.187 1.00 72.33 H new ATOM 0 HG22 ILE A 119 2.315 -0.211 17.639 1.00 72.33 H new ATOM 0 HG23 ILE A 119 2.225 -1.453 16.368 1.00 72.33 H new ATOM 0 HD11 ILE A 119 0.872 1.148 12.437 1.00 52.23 H new ATOM 0 HD12 ILE A 119 -0.397 1.196 13.683 1.00 52.23 H new ATOM 0 HD13 ILE A 119 0.978 2.322 13.771 1.00 52.23 H new ATOM 1808 N SER A 120 -1.035 0.521 18.636 1.00 14.32 N ATOM 1809 CA SER A 120 -1.054 0.463 20.095 1.00 14.40 C ATOM 1810 C SER A 120 0.378 0.654 20.602 1.00 60.22 C ATOM 1811 O SER A 120 1.044 -0.282 21.081 1.00 14.32 O ATOM 1812 CB SER A 120 -1.689 -0.847 20.622 1.00 60.11 C ATOM 1813 OG SER A 120 -3.030 -1.002 20.135 1.00 43.21 O ATOM 0 H SER A 120 -1.639 1.244 18.244 1.00 14.32 H new ATOM 0 HA SER A 120 -1.686 1.263 20.480 1.00 14.40 H new ATOM 0 HB2 SER A 120 -1.085 -1.699 20.311 1.00 60.11 H new ATOM 0 HB3 SER A 120 -1.693 -0.840 21.712 1.00 60.11 H new ATOM 0 HG SER A 120 -3.409 -1.837 20.480 1.00 43.21 H new ATOM 1819 N SER A 121 0.864 1.858 20.427 1.00 74.15 N ATOM 1820 CA SER A 121 2.233 2.153 20.687 1.00 70.33 C ATOM 1821 C SER A 121 2.484 2.673 22.090 1.00 15.12 C ATOM 1822 O SER A 121 2.178 3.820 22.407 1.00 13.32 O ATOM 1823 CB SER A 121 2.766 3.148 19.651 1.00 11.33 C ATOM 1824 OG SER A 121 2.663 2.628 18.323 1.00 44.41 O ATOM 0 H SER A 121 0.315 2.653 20.101 1.00 74.15 H new ATOM 0 HA SER A 121 2.772 1.209 20.608 1.00 70.33 H new ATOM 0 HB2 SER A 121 2.208 4.082 19.721 1.00 11.33 H new ATOM 0 HB3 SER A 121 3.808 3.381 19.872 1.00 11.33 H new ATOM 0 HG SER A 121 1.744 2.734 18.001 1.00 44.41 H new ATOM 1830 N THR A 122 3.006 1.814 22.931 1.00 64.51 N ATOM 1831 CA THR A 122 3.512 2.231 24.222 1.00 32.25 C ATOM 1832 C THR A 122 5.009 2.524 24.005 1.00 74.45 C ATOM 1833 O THR A 122 5.688 3.191 24.790 1.00 41.40 O ATOM 1834 CB THR A 122 3.361 1.079 25.228 1.00 43.42 C ATOM 1835 OG1 THR A 122 2.017 0.588 25.163 1.00 14.31 O ATOM 1836 CG2 THR A 122 3.644 1.553 26.648 1.00 70.02 C ATOM 0 H THR A 122 3.093 0.815 22.746 1.00 64.51 H new ATOM 0 HA THR A 122 2.976 3.098 24.609 1.00 32.25 H new ATOM 0 HB THR A 122 4.075 0.295 24.975 1.00 43.42 H new ATOM 0 HG1 THR A 122 1.907 -0.149 25.799 1.00 14.31 H new ATOM 0 HG21 THR A 122 3.530 0.718 27.340 1.00 70.02 H new ATOM 0 HG22 THR A 122 4.662 1.937 26.707 1.00 70.02 H new ATOM 0 HG23 THR A 122 2.942 2.343 26.914 1.00 70.02 H new ATOM 1844 N ASP A 123 5.464 2.000 22.888 1.00 52.13 N ATOM 1845 CA ASP A 123 6.816 2.082 22.378 1.00 2.34 C ATOM 1846 C ASP A 123 7.267 3.511 22.144 1.00 14.22 C ATOM 1847 O ASP A 123 6.571 4.296 21.482 1.00 51.04 O ATOM 1848 CB ASP A 123 6.850 1.318 21.053 1.00 52.20 C ATOM 1849 CG ASP A 123 8.165 1.404 20.339 1.00 75.10 C ATOM 1850 OD1 ASP A 123 9.070 0.619 20.650 1.00 35.42 O ATOM 1851 OD2 ASP A 123 8.291 2.254 19.433 1.00 25.10 O ATOM 0 H ASP A 123 4.855 1.467 22.267 1.00 52.13 H new ATOM 0 HA ASP A 123 7.495 1.655 23.116 1.00 2.34 H new ATOM 0 HB2 ASP A 123 6.618 0.270 21.243 1.00 52.20 H new ATOM 0 HB3 ASP A 123 6.067 1.705 20.401 1.00 52.20 H new ATOM 1856 N ARG A 124 8.415 3.849 22.686 1.00 45.25 N ATOM 1857 CA ARG A 124 9.019 5.153 22.464 1.00 44.21 C ATOM 1858 C ARG A 124 10.361 4.979 21.794 1.00 32.34 C ATOM 1859 O ARG A 124 10.916 3.861 21.773 1.00 0.23 O ATOM 1860 CB ARG A 124 9.201 5.945 23.771 1.00 64.13 C ATOM 1861 CG ARG A 124 7.916 6.263 24.519 1.00 52.34 C ATOM 1862 CD ARG A 124 6.927 7.029 23.649 1.00 54.45 C ATOM 1863 NE ARG A 124 7.479 8.287 23.100 1.00 22.34 N ATOM 1864 CZ ARG A 124 6.764 9.175 22.388 1.00 33.04 C ATOM 1865 NH1 ARG A 124 5.468 8.987 22.194 1.00 31.40 N ATOM 1866 NH2 ARG A 124 7.347 10.255 21.895 1.00 30.43 N ATOM 0 H ARG A 124 8.958 3.234 23.292 1.00 45.25 H new ATOM 0 HA ARG A 124 8.343 5.722 21.826 1.00 44.21 H new ATOM 0 HB2 ARG A 124 9.857 5.378 24.432 1.00 64.13 H new ATOM 0 HB3 ARG A 124 9.711 6.881 23.542 1.00 64.13 H new ATOM 0 HG2 ARG A 124 7.456 5.336 24.861 1.00 52.34 H new ATOM 0 HG3 ARG A 124 8.149 6.850 25.407 1.00 52.34 H new ATOM 0 HD2 ARG A 124 6.609 6.390 22.825 1.00 54.45 H new ATOM 0 HD3 ARG A 124 6.038 7.257 24.237 1.00 54.45 H new ATOM 0 HE ARG A 124 8.463 8.493 23.272 1.00 22.34 H new ATOM 0 HH11 ARG A 124 5.008 8.165 22.586 1.00 31.40 H new ATOM 0 HH12 ARG A 124 4.930 9.664 21.653 1.00 31.40 H new ATOM 0 HH21 ARG A 124 8.342 10.416 22.055 1.00 30.43 H new ATOM 0 HH22 ARG A 124 6.802 10.927 21.355 1.00 30.43 H new TER 1880 ARG A 124 ATOM 1881 N ALA B 1 -11.834 0.641 42.760 1.00 2.42 N ATOM 1882 CA ALA B 1 -10.684 1.151 43.471 1.00 24.34 C ATOM 1883 C ALA B 1 -9.741 1.837 42.498 1.00 52.13 C ATOM 1884 O ALA B 1 -9.545 1.362 41.373 1.00 40.30 O ATOM 1885 CB ALA B 1 -9.972 0.021 44.198 1.00 42.43 C ATOM 0 H1 ALA B 1 -12.080 -0.300 43.128 1.00 2.42 H new ATOM 0 H2 ALA B 1 -12.639 1.286 42.893 1.00 2.42 H new ATOM 0 H3 ALA B 1 -11.612 0.569 41.747 1.00 2.42 H new ATOM 0 HA ALA B 1 -11.016 1.879 44.211 1.00 24.34 H new ATOM 0 HB1 ALA B 1 -9.107 0.418 44.730 1.00 42.43 H new ATOM 0 HB2 ALA B 1 -10.655 -0.441 44.910 1.00 42.43 H new ATOM 0 HB3 ALA B 1 -9.642 -0.726 43.476 1.00 42.43 H new ATOM 1891 N ILE B 2 -9.171 2.942 42.910 1.00 71.35 N ATOM 1892 CA ILE B 2 -8.276 3.688 42.058 1.00 61.03 C ATOM 1893 C ILE B 2 -6.821 3.294 42.296 1.00 4.32 C ATOM 1894 O ILE B 2 -6.305 3.383 43.420 1.00 30.43 O ATOM 1895 CB ILE B 2 -8.459 5.233 42.197 1.00 52.53 C ATOM 1896 CG1 ILE B 2 -8.272 5.696 43.658 1.00 33.34 C ATOM 1897 CG2 ILE B 2 -9.825 5.659 41.659 1.00 74.22 C ATOM 1898 CD1 ILE B 2 -8.373 7.196 43.854 1.00 1.23 C ATOM 0 H ILE B 2 -9.311 3.347 43.835 1.00 71.35 H new ATOM 0 HA ILE B 2 -8.541 3.425 41.034 1.00 61.03 H new ATOM 0 HB ILE B 2 -7.686 5.717 41.601 1.00 52.53 H new ATOM 0 HG12 ILE B 2 -9.022 5.209 44.280 1.00 33.34 H new ATOM 0 HG13 ILE B 2 -7.297 5.360 44.012 1.00 33.34 H new ATOM 0 HG21 ILE B 2 -9.937 6.738 41.763 1.00 74.22 H new ATOM 0 HG22 ILE B 2 -9.903 5.386 40.607 1.00 74.22 H new ATOM 0 HG23 ILE B 2 -10.611 5.157 42.223 1.00 74.22 H new ATOM 0 HD11 ILE B 2 -8.230 7.436 44.908 1.00 1.23 H new ATOM 0 HD12 ILE B 2 -7.605 7.693 43.261 1.00 1.23 H new ATOM 0 HD13 ILE B 2 -9.357 7.539 43.534 1.00 1.23 H new ATOM 1910 N ALA B 3 -6.184 2.822 41.256 1.00 63.12 N ATOM 1911 CA ALA B 3 -4.797 2.441 41.297 1.00 62.22 C ATOM 1912 C ALA B 3 -4.248 2.422 39.888 1.00 73.14 C ATOM 1913 O ALA B 3 -4.951 2.038 38.958 1.00 31.41 O ATOM 1914 CB ALA B 3 -4.635 1.069 41.940 1.00 44.52 C ATOM 0 H ALA B 3 -6.621 2.690 40.344 1.00 63.12 H new ATOM 0 HA ALA B 3 -4.245 3.164 41.898 1.00 62.22 H new ATOM 0 HB1 ALA B 3 -3.579 0.800 41.961 1.00 44.52 H new ATOM 0 HB2 ALA B 3 -5.023 1.096 42.958 1.00 44.52 H new ATOM 0 HB3 ALA B 3 -5.187 0.328 41.361 1.00 44.52 H new ATOM 1920 N PRO B 4 -2.997 2.846 39.692 1.00 4.34 N ATOM 1921 CA PRO B 4 -2.362 2.847 38.373 1.00 32.23 C ATOM 1922 C PRO B 4 -1.795 1.469 37.999 1.00 73.25 C ATOM 1923 O PRO B 4 -1.060 1.330 37.016 1.00 23.42 O ATOM 1924 CB PRO B 4 -1.225 3.854 38.548 1.00 24.33 C ATOM 1925 CG PRO B 4 -0.827 3.710 39.981 1.00 32.33 C ATOM 1926 CD PRO B 4 -2.091 3.392 40.738 1.00 20.22 C ATOM 0 HA PRO B 4 -3.063 3.094 37.576 1.00 32.23 H new ATOM 0 HB2 PRO B 4 -0.392 3.635 37.879 1.00 24.33 H new ATOM 0 HB3 PRO B 4 -1.554 4.869 38.326 1.00 24.33 H new ATOM 0 HG2 PRO B 4 -0.090 2.916 40.103 1.00 32.33 H new ATOM 0 HG3 PRO B 4 -0.371 4.628 40.353 1.00 32.33 H new ATOM 0 HD2 PRO B 4 -1.911 2.666 41.531 1.00 20.22 H new ATOM 0 HD3 PRO B 4 -2.511 4.281 41.208 1.00 20.22 H new ATOM 1934 N CYS B 5 -2.150 0.463 38.763 1.00 11.32 N ATOM 1935 CA CYS B 5 -1.639 -0.857 38.547 1.00 3.14 C ATOM 1936 C CYS B 5 -2.578 -1.709 37.700 1.00 74.02 C ATOM 1937 O CYS B 5 -3.599 -2.220 38.184 1.00 63.23 O ATOM 1938 CB CYS B 5 -1.334 -1.550 39.873 1.00 3.13 C ATOM 1939 SG CYS B 5 -0.645 -3.207 39.703 1.00 31.52 S ATOM 0 H CYS B 5 -2.798 0.542 39.546 1.00 11.32 H new ATOM 0 HA CYS B 5 -0.709 -0.748 37.989 1.00 3.14 H new ATOM 0 HB2 CYS B 5 -0.634 -0.935 40.439 1.00 3.13 H new ATOM 0 HB3 CYS B 5 -2.252 -1.609 40.458 1.00 3.13 H new ATOM 0 HG CYS B 5 -0.420 -3.707 40.882 1.00 31.52 H new ATOM 1945 N MET B 6 -2.250 -1.820 36.444 1.00 10.34 N ATOM 1946 CA MET B 6 -2.923 -2.712 35.536 1.00 62.32 C ATOM 1947 C MET B 6 -1.832 -3.438 34.815 1.00 64.12 C ATOM 1948 O MET B 6 -1.172 -2.868 33.939 1.00 51.24 O ATOM 1949 CB MET B 6 -3.834 -1.937 34.548 1.00 2.51 C ATOM 1950 CG MET B 6 -4.728 -2.805 33.627 1.00 3.01 C ATOM 1951 SD MET B 6 -3.829 -3.823 32.424 1.00 51.34 S ATOM 1952 CE MET B 6 -5.192 -4.665 31.614 1.00 24.13 C ATOM 0 H MET B 6 -1.496 -1.286 36.013 1.00 10.34 H new ATOM 0 HA MET B 6 -3.584 -3.399 36.065 1.00 62.32 H new ATOM 0 HB2 MET B 6 -4.477 -1.271 35.123 1.00 2.51 H new ATOM 0 HB3 MET B 6 -3.203 -1.307 33.921 1.00 2.51 H new ATOM 0 HG2 MET B 6 -5.338 -3.459 34.250 1.00 3.01 H new ATOM 0 HG3 MET B 6 -5.412 -2.150 33.087 1.00 3.01 H new ATOM 0 HE1 MET B 6 -4.802 -5.331 30.844 1.00 24.13 H new ATOM 0 HE2 MET B 6 -5.749 -5.246 32.349 1.00 24.13 H new ATOM 0 HE3 MET B 6 -5.854 -3.930 31.156 1.00 24.13 H new ATOM 1962 N GLN B 7 -1.576 -4.655 35.224 1.00 3.31 N ATOM 1963 CA GLN B 7 -0.478 -5.403 34.664 1.00 44.12 C ATOM 1964 C GLN B 7 -0.872 -6.832 34.402 1.00 24.04 C ATOM 1965 O GLN B 7 -0.947 -7.644 35.329 1.00 34.23 O ATOM 1966 CB GLN B 7 0.741 -5.387 35.595 1.00 53.44 C ATOM 1967 CG GLN B 7 1.295 -4.006 35.924 1.00 63.34 C ATOM 1968 CD GLN B 7 2.516 -4.066 36.824 1.00 32.31 C ATOM 1969 OE1 GLN B 7 3.300 -5.111 36.691 1.00 24.51 O flip ATOM 1970 NE2 GLN B 7 2.765 -3.161 37.626 1.00 10.51 N flip ATOM 0 H GLN B 7 -2.110 -5.148 35.940 1.00 3.31 H new ATOM 0 HA GLN B 7 -0.216 -4.921 33.722 1.00 44.12 H new ATOM 0 HB2 GLN B 7 0.471 -5.883 36.527 1.00 53.44 H new ATOM 0 HB3 GLN B 7 1.534 -5.978 35.137 1.00 53.44 H new ATOM 0 HG2 GLN B 7 1.556 -3.493 34.998 1.00 63.34 H new ATOM 0 HG3 GLN B 7 0.519 -3.414 36.409 1.00 63.34 H new ATOM 0 HE21 GLN B 7 2.136 -2.362 37.705 1.00 10.51 H new ATOM 0 HE22 GLN B 7 3.600 -3.212 38.209 1.00 10.51 H new ATOM 1979 N THR B 8 -1.160 -7.125 33.175 1.00 4.22 N ATOM 1980 CA THR B 8 -1.442 -8.461 32.756 1.00 3.12 C ATOM 1981 C THR B 8 -0.495 -8.804 31.601 1.00 14.44 C ATOM 1982 O THR B 8 -0.831 -8.669 30.430 1.00 64.24 O ATOM 1983 CB THR B 8 -2.933 -8.616 32.351 1.00 11.44 C ATOM 1984 OG1 THR B 8 -3.752 -8.192 33.462 1.00 34.44 O ATOM 1985 CG2 THR B 8 -3.267 -10.061 32.012 1.00 32.03 C ATOM 0 H THR B 8 -1.207 -6.435 32.426 1.00 4.22 H new ATOM 0 HA THR B 8 -1.277 -9.158 33.578 1.00 3.12 H new ATOM 0 HB THR B 8 -3.123 -8.007 31.467 1.00 11.44 H new ATOM 0 HG1 THR B 8 -4.698 -8.281 33.224 1.00 34.44 H new ATOM 0 HG21 THR B 8 -4.318 -10.136 31.733 1.00 32.03 H new ATOM 0 HG22 THR B 8 -2.646 -10.392 31.180 1.00 32.03 H new ATOM 0 HG23 THR B 8 -3.077 -10.692 32.880 1.00 32.03 H new ATOM 1993 N THR B 9 0.714 -9.176 31.951 1.00 53.02 N ATOM 1994 CA THR B 9 1.751 -9.386 30.980 1.00 42.40 C ATOM 1995 C THR B 9 1.789 -10.793 30.402 1.00 62.04 C ATOM 1996 O THR B 9 2.376 -11.710 30.977 1.00 44.21 O ATOM 1997 CB THR B 9 3.120 -8.957 31.526 1.00 71.32 C ATOM 1998 OG1 THR B 9 3.280 -9.465 32.864 1.00 22.33 O ATOM 1999 CG2 THR B 9 3.249 -7.440 31.534 1.00 34.41 C ATOM 0 H THR B 9 1.002 -9.340 32.916 1.00 53.02 H new ATOM 0 HA THR B 9 1.499 -8.741 30.138 1.00 42.40 H new ATOM 0 HB THR B 9 3.898 -9.364 30.880 1.00 71.32 H new ATOM 0 HG1 THR B 9 4.154 -9.194 33.214 1.00 22.33 H new ATOM 0 HG21 THR B 9 4.227 -7.160 31.925 1.00 34.41 H new ATOM 0 HG22 THR B 9 3.142 -7.060 30.518 1.00 34.41 H new ATOM 0 HG23 THR B 9 2.470 -7.012 32.165 1.00 34.41 H new ATOM 2007 N HIS B 10 1.085 -10.942 29.295 1.00 63.32 N ATOM 2008 CA HIS B 10 1.035 -12.143 28.469 1.00 4.24 C ATOM 2009 C HIS B 10 0.035 -11.891 27.376 1.00 75.40 C ATOM 2010 O HIS B 10 -0.901 -11.103 27.569 1.00 42.43 O ATOM 2011 CB HIS B 10 0.665 -13.438 29.251 1.00 43.43 C ATOM 2012 CG HIS B 10 -0.681 -13.443 29.911 1.00 25.23 C ATOM 2013 ND1 HIS B 10 -1.792 -14.029 29.355 1.00 1.54 N ATOM 2014 CD2 HIS B 10 -1.076 -12.957 31.103 1.00 75.33 C ATOM 2015 CE1 HIS B 10 -2.804 -13.901 30.178 1.00 54.25 C ATOM 2016 NE2 HIS B 10 -2.397 -13.257 31.246 1.00 73.41 N ATOM 0 H HIS B 10 0.501 -10.192 28.925 1.00 63.32 H new ATOM 0 HA HIS B 10 2.035 -12.327 28.076 1.00 4.24 H new ATOM 0 HB2 HIS B 10 0.713 -14.281 28.562 1.00 43.43 H new ATOM 0 HB3 HIS B 10 1.424 -13.607 30.015 1.00 43.43 H new ATOM 0 HD1 HIS B 10 -1.824 -14.490 28.446 1.00 1.54 H new ATOM 0 HD2 HIS B 10 -0.459 -12.427 31.814 1.00 75.33 H new ATOM 0 HE1 HIS B 10 -3.806 -14.265 30.006 1.00 54.25 H new ATOM 2025 N SER B 11 0.218 -12.517 26.257 1.00 34.23 N ATOM 2026 CA SER B 11 -0.668 -12.341 25.150 1.00 52.41 C ATOM 2027 C SER B 11 -2.012 -13.018 25.403 1.00 13.32 C ATOM 2028 O SER B 11 -2.095 -14.028 26.121 1.00 42.41 O ATOM 2029 CB SER B 11 0.001 -12.848 23.872 1.00 65.32 C ATOM 2030 OG SER B 11 0.522 -14.152 24.061 1.00 64.33 O ATOM 0 H SER B 11 0.986 -13.165 26.085 1.00 34.23 H new ATOM 0 HA SER B 11 -0.877 -11.278 25.026 1.00 52.41 H new ATOM 0 HB2 SER B 11 -0.721 -12.855 23.056 1.00 65.32 H new ATOM 0 HB3 SER B 11 0.803 -12.169 23.582 1.00 65.32 H new ATOM 0 HG SER B 11 0.944 -14.459 23.232 1.00 64.33 H new ATOM 2036 N LYS B 12 -3.052 -12.445 24.859 1.00 52.21 N ATOM 2037 CA LYS B 12 -4.376 -12.978 25.007 1.00 32.20 C ATOM 2038 C LYS B 12 -4.839 -13.598 23.703 1.00 5.05 C ATOM 2039 O LYS B 12 -4.180 -13.433 22.654 1.00 72.20 O ATOM 2040 CB LYS B 12 -5.348 -11.897 25.496 1.00 25.11 C ATOM 2041 CG LYS B 12 -5.444 -10.665 24.613 1.00 42.13 C ATOM 2042 CD LYS B 12 -6.402 -9.650 25.213 1.00 62.31 C ATOM 2043 CE LYS B 12 -6.501 -8.407 24.360 1.00 35.30 C ATOM 2044 NZ LYS B 12 -7.440 -7.412 24.932 1.00 52.31 N ATOM 0 H LYS B 12 -3.003 -11.593 24.300 1.00 52.21 H new ATOM 0 HA LYS B 12 -4.357 -13.762 25.764 1.00 32.20 H new ATOM 0 HB2 LYS B 12 -6.341 -12.338 25.586 1.00 25.11 H new ATOM 0 HB3 LYS B 12 -5.046 -11.585 26.496 1.00 25.11 H new ATOM 0 HG2 LYS B 12 -4.457 -10.217 24.496 1.00 42.13 H new ATOM 0 HG3 LYS B 12 -5.784 -10.950 23.618 1.00 42.13 H new ATOM 0 HD2 LYS B 12 -7.390 -10.099 25.319 1.00 62.31 H new ATOM 0 HD3 LYS B 12 -6.066 -9.379 26.214 1.00 62.31 H new ATOM 0 HE2 LYS B 12 -5.513 -7.957 24.260 1.00 35.30 H new ATOM 0 HE3 LYS B 12 -6.830 -8.681 23.358 1.00 35.30 H new ATOM 0 HZ1 LYS B 12 -7.477 -6.575 24.315 1.00 52.31 H new ATOM 0 HZ2 LYS B 12 -8.389 -7.832 25.004 1.00 52.31 H new ATOM 0 HZ3 LYS B 12 -7.113 -7.130 25.878 1.00 52.31 H new ATOM 2058 N MET B 13 -5.948 -14.300 23.744 1.00 33.12 N ATOM 2059 CA MET B 13 -6.451 -14.996 22.575 1.00 43.55 C ATOM 2060 C MET B 13 -7.168 -14.063 21.613 1.00 24.14 C ATOM 2061 O MET B 13 -8.392 -13.943 21.623 1.00 62.42 O ATOM 2062 CB MET B 13 -7.327 -16.218 22.934 1.00 73.34 C ATOM 2063 CG MET B 13 -6.591 -17.383 23.613 1.00 45.11 C ATOM 2064 SD MET B 13 -5.843 -16.963 25.206 1.00 31.43 S ATOM 2065 CE MET B 13 -5.094 -18.533 25.646 1.00 31.24 C ATOM 0 H MET B 13 -6.525 -14.406 24.579 1.00 33.12 H new ATOM 0 HA MET B 13 -5.571 -15.382 22.060 1.00 43.55 H new ATOM 0 HB2 MET B 13 -8.131 -15.886 23.592 1.00 73.34 H new ATOM 0 HB3 MET B 13 -7.794 -16.589 22.022 1.00 73.34 H new ATOM 0 HG2 MET B 13 -7.292 -18.205 23.759 1.00 45.11 H new ATOM 0 HG3 MET B 13 -5.811 -17.745 22.943 1.00 45.11 H new ATOM 0 HE1 MET B 13 -4.591 -18.439 26.608 1.00 31.24 H new ATOM 0 HE2 MET B 13 -5.867 -19.299 25.714 1.00 31.24 H new ATOM 0 HE3 MET B 13 -4.369 -18.816 24.883 1.00 31.24 H new ATOM 2075 N THR B 14 -6.389 -13.349 20.850 1.00 24.21 N ATOM 2076 CA THR B 14 -6.865 -12.457 19.826 1.00 73.20 C ATOM 2077 C THR B 14 -5.749 -12.242 18.817 1.00 4.41 C ATOM 2078 O THR B 14 -4.785 -11.515 19.091 1.00 54.31 O ATOM 2079 CB THR B 14 -7.323 -11.075 20.399 1.00 14.44 C ATOM 2080 OG1 THR B 14 -8.365 -11.271 21.372 1.00 52.23 O ATOM 2081 CG2 THR B 14 -7.850 -10.174 19.286 1.00 44.42 C ATOM 0 H THR B 14 -5.372 -13.371 20.925 1.00 24.21 H new ATOM 0 HA THR B 14 -7.737 -12.914 19.359 1.00 73.20 H new ATOM 0 HB THR B 14 -6.460 -10.599 20.865 1.00 14.44 H new ATOM 0 HG1 THR B 14 -8.671 -12.202 21.341 1.00 52.23 H new ATOM 0 HG21 THR B 14 -8.162 -9.219 19.708 1.00 44.42 H new ATOM 0 HG22 THR B 14 -7.063 -10.006 18.551 1.00 44.42 H new ATOM 0 HG23 THR B 14 -8.702 -10.653 18.803 1.00 44.42 H new ATOM 2089 N ALA B 15 -5.842 -12.934 17.706 1.00 40.03 N ATOM 2090 CA ALA B 15 -4.899 -12.807 16.614 1.00 71.03 C ATOM 2091 C ALA B 15 -5.496 -13.426 15.404 1.00 14.43 C ATOM 2092 O ALA B 15 -6.276 -14.381 15.512 1.00 34.14 O ATOM 2093 CB ALA B 15 -3.578 -13.493 16.918 1.00 23.11 C ATOM 0 H ALA B 15 -6.584 -13.611 17.530 1.00 40.03 H new ATOM 0 HA ALA B 15 -4.695 -11.747 16.460 1.00 71.03 H new ATOM 0 HB1 ALA B 15 -2.902 -13.372 16.072 1.00 23.11 H new ATOM 0 HB2 ALA B 15 -3.131 -13.045 17.806 1.00 23.11 H new ATOM 0 HB3 ALA B 15 -3.751 -14.554 17.095 1.00 23.11 H new ATOM 2099 N GLY B 16 -5.171 -12.902 14.275 1.00 14.34 N ATOM 2100 CA GLY B 16 -5.667 -13.430 13.059 1.00 74.20 C ATOM 2101 C GLY B 16 -4.647 -13.353 11.991 1.00 33.23 C ATOM 2102 O GLY B 16 -3.442 -13.210 12.271 1.00 45.43 O ATOM 0 H GLY B 16 -4.554 -12.096 14.171 1.00 14.34 H new ATOM 0 HA2 GLY B 16 -5.968 -14.467 13.205 1.00 74.20 H new ATOM 0 HA3 GLY B 16 -6.558 -12.880 12.756 1.00 74.20 H new ATOM 2106 N ALA B 17 -5.099 -13.400 10.787 1.00 2.35 N ATOM 2107 CA ALA B 17 -4.233 -13.399 9.644 1.00 22.02 C ATOM 2108 C ALA B 17 -3.805 -12.000 9.222 1.00 24.53 C ATOM 2109 O ALA B 17 -4.238 -11.476 8.187 1.00 31.52 O ATOM 2110 CB ALA B 17 -4.830 -14.179 8.492 1.00 2.44 C ATOM 0 H ALA B 17 -6.092 -13.441 10.558 1.00 2.35 H new ATOM 0 HA ALA B 17 -3.321 -13.911 9.951 1.00 22.02 H new ATOM 0 HB1 ALA B 17 -4.146 -14.156 7.644 1.00 2.44 H new ATOM 0 HB2 ALA B 17 -4.994 -15.212 8.798 1.00 2.44 H new ATOM 0 HB3 ALA B 17 -5.781 -13.731 8.203 1.00 2.44 H new ATOM 2116 N TYR B 18 -2.998 -11.393 10.075 1.00 2.13 N ATOM 2117 CA TYR B 18 -2.347 -10.114 9.832 1.00 62.22 C ATOM 2118 C TYR B 18 -3.276 -8.904 9.924 1.00 24.43 C ATOM 2119 O TYR B 18 -4.341 -8.986 10.535 1.00 1.41 O ATOM 2120 CB TYR B 18 -1.466 -10.173 8.584 1.00 52.12 C ATOM 2121 CG TYR B 18 -0.411 -11.234 8.781 1.00 74.30 C ATOM 2122 CD1 TYR B 18 0.742 -10.965 9.504 1.00 23.03 C ATOM 2123 CD2 TYR B 18 -0.600 -12.522 8.307 1.00 64.12 C ATOM 2124 CE1 TYR B 18 1.675 -11.947 9.737 1.00 51.32 C ATOM 2125 CE2 TYR B 18 0.318 -13.509 8.545 1.00 31.42 C ATOM 2126 CZ TYR B 18 1.454 -13.220 9.258 1.00 32.10 C ATOM 2127 OH TYR B 18 2.371 -14.208 9.503 1.00 44.33 O ATOM 0 H TYR B 18 -2.769 -11.789 10.987 1.00 2.13 H new ATOM 0 HA TYR B 18 -1.669 -9.936 10.667 1.00 62.22 H new ATOM 0 HB2 TYR B 18 -2.071 -10.401 7.706 1.00 52.12 H new ATOM 0 HB3 TYR B 18 -0.998 -9.205 8.406 1.00 52.12 H new ATOM 0 HD1 TYR B 18 0.909 -9.970 9.889 1.00 23.03 H new ATOM 0 HD2 TYR B 18 -1.489 -12.752 7.739 1.00 64.12 H new ATOM 0 HE1 TYR B 18 2.574 -11.723 10.291 1.00 51.32 H new ATOM 0 HE2 TYR B 18 0.149 -14.509 8.174 1.00 31.42 H new ATOM 0 HH TYR B 18 3.016 -14.245 8.767 1.00 44.33 H new ATOM 2137 N THR B 19 -2.864 -7.786 9.357 1.00 53.35 N ATOM 2138 CA THR B 19 -3.511 -6.535 9.661 1.00 43.13 C ATOM 2139 C THR B 19 -4.655 -6.169 8.683 1.00 2.43 C ATOM 2140 O THR B 19 -4.805 -6.774 7.607 1.00 62.13 O ATOM 2141 CB THR B 19 -2.473 -5.362 9.746 1.00 41.01 C ATOM 2142 OG1 THR B 19 -3.057 -4.236 10.435 1.00 33.24 O ATOM 2143 CG2 THR B 19 -2.066 -4.910 8.350 1.00 52.35 C ATOM 0 H THR B 19 -2.093 -7.723 8.692 1.00 53.35 H new ATOM 0 HA THR B 19 -3.972 -6.679 10.638 1.00 43.13 H new ATOM 0 HB THR B 19 -1.598 -5.722 10.287 1.00 41.01 H new ATOM 0 HG1 THR B 19 -2.403 -3.508 10.486 1.00 33.24 H new ATOM 0 HG21 THR B 19 -1.346 -4.096 8.427 1.00 52.35 H new ATOM 0 HG22 THR B 19 -1.614 -5.745 7.815 1.00 52.35 H new ATOM 0 HG23 THR B 19 -2.947 -4.565 7.808 1.00 52.35 H new ATOM 2151 N GLU B 20 -5.365 -5.116 9.100 1.00 53.20 N ATOM 2152 CA GLU B 20 -6.515 -4.461 8.479 1.00 63.22 C ATOM 2153 C GLU B 20 -7.669 -5.347 7.986 1.00 42.34 C ATOM 2154 O GLU B 20 -7.484 -6.421 7.434 1.00 62.34 O ATOM 2155 CB GLU B 20 -6.106 -3.386 7.455 1.00 14.31 C ATOM 2156 CG GLU B 20 -7.281 -2.522 7.005 1.00 73.02 C ATOM 2157 CD GLU B 20 -6.893 -1.345 6.171 1.00 50.03 C ATOM 2158 OE1 GLU B 20 -6.158 -0.484 6.670 1.00 74.30 O ATOM 2159 OE2 GLU B 20 -7.390 -1.217 5.055 1.00 60.32 O ATOM 0 H GLU B 20 -5.119 -4.654 9.976 1.00 53.20 H new ATOM 0 HA GLU B 20 -6.973 -3.963 9.334 1.00 63.22 H new ATOM 0 HB2 GLU B 20 -5.338 -2.748 7.892 1.00 14.31 H new ATOM 0 HB3 GLU B 20 -5.662 -3.870 6.585 1.00 14.31 H new ATOM 0 HG2 GLU B 20 -7.976 -3.141 6.438 1.00 73.02 H new ATOM 0 HG3 GLU B 20 -7.815 -2.168 7.887 1.00 73.02 H new ATOM 2166 N GLY B 21 -8.868 -4.837 8.209 1.00 2.14 N ATOM 2167 CA GLY B 21 -10.096 -5.435 7.729 1.00 10.40 C ATOM 2168 C GLY B 21 -10.561 -6.611 8.538 1.00 50.53 C ATOM 2169 O GLY B 21 -10.402 -6.632 9.772 1.00 24.33 O ATOM 0 H GLY B 21 -9.015 -3.978 8.740 1.00 2.14 H new ATOM 0 HA2 GLY B 21 -10.880 -4.677 7.725 1.00 10.40 H new ATOM 0 HA3 GLY B 21 -9.954 -5.752 6.696 1.00 10.40 H new ATOM 2173 N PRO B 22 -11.180 -7.596 7.860 1.00 2.31 N ATOM 2174 CA PRO B 22 -11.675 -8.837 8.470 1.00 22.31 C ATOM 2175 C PRO B 22 -10.651 -9.596 9.357 1.00 31.44 C ATOM 2176 O PRO B 22 -11.047 -10.070 10.427 1.00 74.41 O ATOM 2177 CB PRO B 22 -12.100 -9.691 7.267 1.00 40.45 C ATOM 2178 CG PRO B 22 -12.444 -8.696 6.229 1.00 63.51 C ATOM 2179 CD PRO B 22 -11.479 -7.560 6.415 1.00 43.35 C ATOM 0 HA PRO B 22 -12.479 -8.613 9.171 1.00 22.31 H new ATOM 0 HB2 PRO B 22 -11.295 -10.348 6.939 1.00 40.45 H new ATOM 0 HB3 PRO B 22 -12.952 -10.327 7.509 1.00 40.45 H new ATOM 0 HG2 PRO B 22 -12.355 -9.125 5.231 1.00 63.51 H new ATOM 0 HG3 PRO B 22 -13.474 -8.356 6.339 1.00 63.51 H new ATOM 0 HD2 PRO B 22 -10.579 -7.695 5.815 1.00 43.35 H new ATOM 0 HD3 PRO B 22 -11.919 -6.607 6.120 1.00 43.35 H new ATOM 2187 N PRO B 23 -9.335 -9.769 8.926 1.00 55.24 N ATOM 2188 CA PRO B 23 -8.324 -10.441 9.747 1.00 32.35 C ATOM 2189 C PRO B 23 -8.317 -9.961 11.188 1.00 13.14 C ATOM 2190 O PRO B 23 -8.344 -8.743 11.459 1.00 34.41 O ATOM 2191 CB PRO B 23 -7.018 -10.065 9.072 1.00 4.33 C ATOM 2192 CG PRO B 23 -7.370 -9.943 7.647 1.00 22.32 C ATOM 2193 CD PRO B 23 -8.750 -9.359 7.619 1.00 72.53 C ATOM 0 HA PRO B 23 -8.508 -11.514 9.806 1.00 32.35 H new ATOM 0 HB2 PRO B 23 -6.621 -9.129 9.466 1.00 4.33 H new ATOM 0 HB3 PRO B 23 -6.254 -10.827 9.230 1.00 4.33 H new ATOM 0 HG2 PRO B 23 -6.662 -9.301 7.122 1.00 22.32 H new ATOM 0 HG3 PRO B 23 -7.346 -10.914 7.153 1.00 22.32 H new ATOM 0 HD2 PRO B 23 -8.723 -8.274 7.515 1.00 72.53 H new ATOM 0 HD3 PRO B 23 -9.331 -9.745 6.782 1.00 72.53 H new ATOM 2201 N GLN B 24 -8.286 -10.901 12.104 1.00 40.42 N ATOM 2202 CA GLN B 24 -8.293 -10.573 13.507 1.00 30.34 C ATOM 2203 C GLN B 24 -7.023 -9.847 13.900 1.00 1.24 C ATOM 2204 O GLN B 24 -5.925 -10.183 13.429 1.00 54.40 O ATOM 2205 CB GLN B 24 -8.520 -11.798 14.387 1.00 52.14 C ATOM 2206 CG GLN B 24 -9.874 -12.439 14.218 1.00 63.30 C ATOM 2207 CD GLN B 24 -11.007 -11.498 14.553 1.00 12.33 C ATOM 2208 OE1 GLN B 24 -11.533 -10.807 13.685 1.00 31.31 O ATOM 2209 NE2 GLN B 24 -11.367 -11.436 15.806 1.00 62.30 N ATOM 0 H GLN B 24 -8.256 -11.900 11.900 1.00 40.42 H new ATOM 0 HA GLN B 24 -9.137 -9.903 13.674 1.00 30.34 H new ATOM 0 HB2 GLN B 24 -7.750 -12.538 14.166 1.00 52.14 H new ATOM 0 HB3 GLN B 24 -8.395 -11.510 15.431 1.00 52.14 H new ATOM 0 HG2 GLN B 24 -9.984 -12.782 13.189 1.00 63.30 H new ATOM 0 HG3 GLN B 24 -9.937 -13.320 14.857 1.00 63.30 H new ATOM 0 HE21 GLN B 24 -10.906 -12.026 16.499 1.00 62.30 H new ATOM 0 HE22 GLN B 24 -12.109 -10.797 16.092 1.00 62.30 H new ATOM 2218 N PRO B 25 -7.158 -8.846 14.760 1.00 3.03 N ATOM 2219 CA PRO B 25 -6.050 -8.010 15.168 1.00 74.11 C ATOM 2220 C PRO B 25 -4.962 -8.773 15.910 1.00 42.24 C ATOM 2221 O PRO B 25 -5.198 -9.369 16.966 1.00 72.31 O ATOM 2222 CB PRO B 25 -6.687 -6.947 16.066 1.00 62.23 C ATOM 2223 CG PRO B 25 -8.002 -7.504 16.478 1.00 30.42 C ATOM 2224 CD PRO B 25 -8.425 -8.454 15.403 1.00 21.54 C ATOM 0 HA PRO B 25 -5.539 -7.590 14.302 1.00 74.11 H new ATOM 0 HB2 PRO B 25 -6.060 -6.741 16.933 1.00 62.23 H new ATOM 0 HB3 PRO B 25 -6.811 -6.006 15.531 1.00 62.23 H new ATOM 0 HG2 PRO B 25 -7.922 -8.016 17.437 1.00 30.42 H new ATOM 0 HG3 PRO B 25 -8.737 -6.709 16.602 1.00 30.42 H new ATOM 0 HD2 PRO B 25 -8.948 -9.317 15.815 1.00 21.54 H new ATOM 0 HD3 PRO B 25 -9.103 -7.979 14.694 1.00 21.54 H new ATOM 2232 N LEU B 26 -3.780 -8.751 15.339 1.00 32.23 N ATOM 2233 CA LEU B 26 -2.613 -9.373 15.922 1.00 60.52 C ATOM 2234 C LEU B 26 -2.012 -8.468 17.017 1.00 25.24 C ATOM 2235 O LEU B 26 -2.507 -7.350 17.229 1.00 30.31 O ATOM 2236 CB LEU B 26 -1.580 -9.850 14.823 1.00 54.43 C ATOM 2237 CG LEU B 26 -0.963 -8.831 13.798 1.00 35.52 C ATOM 2238 CD1 LEU B 26 -1.992 -8.099 12.969 1.00 62.11 C ATOM 2239 CD2 LEU B 26 -0.042 -7.865 14.462 1.00 2.24 C ATOM 0 H LEU B 26 -3.599 -8.295 14.445 1.00 32.23 H new ATOM 0 HA LEU B 26 -2.915 -10.293 16.421 1.00 60.52 H new ATOM 0 HB2 LEU B 26 -0.748 -10.318 15.349 1.00 54.43 H new ATOM 0 HB3 LEU B 26 -2.070 -10.631 14.242 1.00 54.43 H new ATOM 0 HG LEU B 26 -0.387 -9.443 13.104 1.00 35.52 H new ATOM 0 HD11 LEU B 26 -1.489 -7.414 12.286 1.00 62.11 H new ATOM 0 HD12 LEU B 26 -2.577 -8.819 12.396 1.00 62.11 H new ATOM 0 HD13 LEU B 26 -2.654 -7.535 13.626 1.00 62.11 H new ATOM 0 HD21 LEU B 26 0.363 -7.178 13.718 1.00 2.24 H new ATOM 0 HD22 LEU B 26 -0.589 -7.301 15.217 1.00 2.24 H new ATOM 0 HD23 LEU B 26 0.775 -8.409 14.937 1.00 2.24 H new ATOM 2251 N SER B 27 -0.986 -8.934 17.701 1.00 42.42 N ATOM 2252 CA SER B 27 -0.440 -8.205 18.846 1.00 54.35 C ATOM 2253 C SER B 27 0.234 -6.890 18.449 1.00 42.25 C ATOM 2254 O SER B 27 0.847 -6.778 17.383 1.00 30.44 O ATOM 2255 CB SER B 27 0.555 -9.094 19.614 1.00 14.42 C ATOM 2256 OG SER B 27 1.170 -8.417 20.707 1.00 3.14 O ATOM 0 H SER B 27 -0.509 -9.811 17.491 1.00 42.42 H new ATOM 0 HA SER B 27 -1.283 -7.949 19.488 1.00 54.35 H new ATOM 0 HB2 SER B 27 0.035 -9.977 19.986 1.00 14.42 H new ATOM 0 HB3 SER B 27 1.327 -9.444 18.928 1.00 14.42 H new ATOM 0 HG SER B 27 1.790 -9.025 21.161 1.00 3.14 H new ATOM 2262 N ALA B 28 0.080 -5.907 19.330 1.00 40.13 N ATOM 2263 CA ALA B 28 0.738 -4.607 19.229 1.00 3.12 C ATOM 2264 C ALA B 28 2.238 -4.760 19.015 1.00 51.11 C ATOM 2265 O ALA B 28 2.851 -3.981 18.291 1.00 71.14 O ATOM 2266 CB ALA B 28 0.474 -3.789 20.472 1.00 50.42 C ATOM 0 H ALA B 28 -0.518 -5.993 20.152 1.00 40.13 H new ATOM 0 HA ALA B 28 0.324 -4.089 18.364 1.00 3.12 H new ATOM 0 HB1 ALA B 28 0.970 -2.822 20.384 1.00 50.42 H new ATOM 0 HB2 ALA B 28 -0.599 -3.637 20.586 1.00 50.42 H new ATOM 0 HB3 ALA B 28 0.861 -4.317 21.344 1.00 50.42 H new ATOM 2272 N GLU B 29 2.819 -5.774 19.632 1.00 4.43 N ATOM 2273 CA GLU B 29 4.233 -6.039 19.484 1.00 12.14 C ATOM 2274 C GLU B 29 4.563 -6.431 18.061 1.00 40.41 C ATOM 2275 O GLU B 29 5.518 -5.916 17.485 1.00 40.10 O ATOM 2276 CB GLU B 29 4.705 -7.078 20.485 1.00 3.13 C ATOM 2277 CG GLU B 29 6.193 -7.340 20.394 1.00 40.10 C ATOM 2278 CD GLU B 29 6.770 -7.868 21.645 1.00 52.14 C ATOM 2279 OE1 GLU B 29 6.894 -7.106 22.614 1.00 60.23 O ATOM 2280 OE2 GLU B 29 7.112 -9.043 21.685 1.00 25.42 O ATOM 0 H GLU B 29 2.328 -6.428 20.242 1.00 4.43 H new ATOM 0 HA GLU B 29 4.776 -5.119 19.701 1.00 12.14 H new ATOM 0 HB2 GLU B 29 4.460 -6.744 21.493 1.00 3.13 H new ATOM 0 HB3 GLU B 29 4.165 -8.010 20.318 1.00 3.13 H new ATOM 0 HG2 GLU B 29 6.381 -8.049 19.588 1.00 40.10 H new ATOM 0 HG3 GLU B 29 6.703 -6.413 20.130 1.00 40.10 H new ATOM 2287 N GLU B 30 3.763 -7.311 17.485 1.00 31.30 N ATOM 2288 CA GLU B 30 3.951 -7.688 16.096 1.00 24.04 C ATOM 2289 C GLU B 30 3.727 -6.510 15.182 1.00 50.11 C ATOM 2290 O GLU B 30 4.479 -6.319 14.242 1.00 42.02 O ATOM 2291 CB GLU B 30 3.061 -8.856 15.672 1.00 40.31 C ATOM 2292 CG GLU B 30 3.550 -10.242 16.047 1.00 50.15 C ATOM 2293 CD GLU B 30 3.730 -10.465 17.519 1.00 72.43 C ATOM 2294 OE1 GLU B 30 2.746 -10.619 18.218 1.00 45.03 O ATOM 2295 OE2 GLU B 30 4.864 -10.536 17.985 1.00 34.24 O ATOM 0 H GLU B 30 2.984 -7.774 17.953 1.00 31.30 H new ATOM 0 HA GLU B 30 4.985 -8.021 16.008 1.00 24.04 H new ATOM 0 HB2 GLU B 30 2.074 -8.711 16.110 1.00 40.31 H new ATOM 0 HB3 GLU B 30 2.938 -8.817 14.590 1.00 40.31 H new ATOM 0 HG2 GLU B 30 2.842 -10.978 15.666 1.00 50.15 H new ATOM 0 HG3 GLU B 30 4.501 -10.425 15.546 1.00 50.15 H new ATOM 2302 N LYS B 31 2.726 -5.675 15.510 1.00 2.13 N ATOM 2303 CA LYS B 31 2.403 -4.504 14.687 1.00 42.21 C ATOM 2304 C LYS B 31 3.588 -3.569 14.663 1.00 5.12 C ATOM 2305 O LYS B 31 3.961 -3.039 13.629 1.00 54.14 O ATOM 2306 CB LYS B 31 1.179 -3.733 15.224 1.00 2.12 C ATOM 2307 CG LYS B 31 -0.136 -4.491 15.218 1.00 75.14 C ATOM 2308 CD LYS B 31 -1.280 -3.604 15.703 1.00 53.15 C ATOM 2309 CE LYS B 31 -2.613 -4.338 15.676 1.00 73.15 C ATOM 2310 NZ LYS B 31 -3.736 -3.463 16.093 1.00 3.43 N ATOM 0 H LYS B 31 2.133 -5.790 16.332 1.00 2.13 H new ATOM 0 HA LYS B 31 2.166 -4.864 13.686 1.00 42.21 H new ATOM 0 HB2 LYS B 31 1.391 -3.420 16.246 1.00 2.12 H new ATOM 0 HB3 LYS B 31 1.056 -2.826 14.632 1.00 2.12 H new ATOM 0 HG2 LYS B 31 -0.350 -4.848 14.211 1.00 75.14 H new ATOM 0 HG3 LYS B 31 -0.056 -5.370 15.857 1.00 75.14 H new ATOM 0 HD2 LYS B 31 -1.072 -3.265 16.718 1.00 53.15 H new ATOM 0 HD3 LYS B 31 -1.342 -2.715 15.076 1.00 53.15 H new ATOM 0 HE2 LYS B 31 -2.800 -4.714 14.670 1.00 73.15 H new ATOM 0 HE3 LYS B 31 -2.564 -5.204 16.336 1.00 73.15 H new ATOM 0 HZ1 LYS B 31 -4.626 -4.001 16.061 1.00 3.43 H new ATOM 0 HZ2 LYS B 31 -3.571 -3.125 17.062 1.00 3.43 H new ATOM 0 HZ3 LYS B 31 -3.800 -2.649 15.448 1.00 3.43 H new ATOM 2324 N LYS B 32 4.193 -3.405 15.813 1.00 12.22 N ATOM 2325 CA LYS B 32 5.277 -2.563 15.992 1.00 60.40 C ATOM 2326 C LYS B 32 6.567 -3.114 15.352 1.00 11.12 C ATOM 2327 O LYS B 32 7.332 -2.364 14.770 1.00 34.43 O ATOM 2328 CB LYS B 32 5.337 -2.243 17.483 1.00 34.32 C ATOM 2329 CG LYS B 32 6.532 -1.519 17.975 1.00 11.34 C ATOM 2330 CD LYS B 32 7.652 -2.470 18.210 1.00 21.13 C ATOM 2331 CE LYS B 32 7.248 -3.515 19.174 1.00 72.04 C ATOM 2332 NZ LYS B 32 8.425 -4.143 19.816 1.00 65.40 N ATOM 0 H LYS B 32 3.908 -3.888 16.665 1.00 12.22 H new ATOM 0 HA LYS B 32 5.161 -1.622 15.454 1.00 60.40 H new ATOM 0 HB2 LYS B 32 4.457 -1.653 17.737 1.00 34.32 H new ATOM 0 HB3 LYS B 32 5.261 -3.181 18.033 1.00 34.32 H new ATOM 0 HG2 LYS B 32 6.833 -0.764 17.248 1.00 11.34 H new ATOM 0 HG3 LYS B 32 6.292 -0.994 18.899 1.00 11.34 H new ATOM 0 HD2 LYS B 32 7.950 -2.931 17.268 1.00 21.13 H new ATOM 0 HD3 LYS B 32 8.520 -1.932 18.590 1.00 21.13 H new ATOM 0 HE2 LYS B 32 6.605 -3.078 19.938 1.00 72.04 H new ATOM 0 HE3 LYS B 32 6.661 -4.277 18.662 1.00 72.04 H new ATOM 0 HZ1 LYS B 32 8.109 -4.773 20.581 1.00 65.40 H new ATOM 0 HZ2 LYS B 32 8.953 -4.694 19.110 1.00 65.40 H new ATOM 0 HZ3 LYS B 32 9.042 -3.404 20.209 1.00 65.40 H new ATOM 2346 N GLU B 33 6.778 -4.425 15.427 1.00 51.50 N ATOM 2347 CA GLU B 33 7.969 -5.050 14.829 1.00 62.14 C ATOM 2348 C GLU B 33 7.913 -5.062 13.303 1.00 60.40 C ATOM 2349 O GLU B 33 8.914 -4.790 12.634 1.00 64.40 O ATOM 2350 CB GLU B 33 8.189 -6.466 15.355 1.00 15.32 C ATOM 2351 CG GLU B 33 8.581 -6.538 16.816 1.00 13.30 C ATOM 2352 CD GLU B 33 9.894 -5.842 17.094 1.00 65.41 C ATOM 2353 OE1 GLU B 33 10.955 -6.422 16.787 1.00 73.11 O ATOM 2354 OE2 GLU B 33 9.882 -4.713 17.627 1.00 62.53 O ATOM 0 H GLU B 33 6.147 -5.078 15.892 1.00 51.50 H new ATOM 0 HA GLU B 33 8.816 -4.433 15.129 1.00 62.14 H new ATOM 0 HB2 GLU B 33 7.275 -7.041 15.208 1.00 15.32 H new ATOM 0 HB3 GLU B 33 8.966 -6.945 14.759 1.00 15.32 H new ATOM 0 HG2 GLU B 33 7.797 -6.085 17.423 1.00 13.30 H new ATOM 0 HG3 GLU B 33 8.655 -7.582 17.119 1.00 13.30 H new ATOM 2361 N ILE B 34 6.745 -5.358 12.761 1.00 3.13 N ATOM 2362 CA ILE B 34 6.589 -5.454 11.314 1.00 22.25 C ATOM 2363 C ILE B 34 6.696 -4.089 10.665 1.00 53.24 C ATOM 2364 O ILE B 34 7.287 -3.946 9.594 1.00 41.23 O ATOM 2365 CB ILE B 34 5.293 -6.197 10.865 1.00 70.13 C ATOM 2366 CG1 ILE B 34 4.017 -5.468 11.344 1.00 53.12 C ATOM 2367 CG2 ILE B 34 5.321 -7.652 11.314 1.00 41.11 C ATOM 2368 CD1 ILE B 34 2.724 -6.211 11.062 1.00 74.42 C ATOM 0 H ILE B 34 5.894 -5.536 13.294 1.00 3.13 H new ATOM 0 HA ILE B 34 7.415 -6.074 10.965 1.00 22.25 H new ATOM 0 HB ILE B 34 5.264 -6.188 9.775 1.00 70.13 H new ATOM 0 HG12 ILE B 34 4.095 -5.294 12.417 1.00 53.12 H new ATOM 0 HG13 ILE B 34 3.971 -4.490 10.865 1.00 53.12 H new ATOM 0 HG21 ILE B 34 4.407 -8.150 10.990 1.00 41.11 H new ATOM 0 HG22 ILE B 34 6.183 -8.152 10.873 1.00 41.11 H new ATOM 0 HG23 ILE B 34 5.392 -7.696 12.401 1.00 41.11 H new ATOM 0 HD11 ILE B 34 1.881 -5.627 11.431 1.00 74.42 H new ATOM 0 HD12 ILE B 34 2.618 -6.362 9.988 1.00 74.42 H new ATOM 0 HD13 ILE B 34 2.743 -7.178 11.564 1.00 74.42 H new ATOM 2380 N ASP B 35 6.191 -3.081 11.361 1.00 2.44 N ATOM 2381 CA ASP B 35 6.170 -1.712 10.862 1.00 13.15 C ATOM 2382 C ASP B 35 7.610 -1.162 10.816 1.00 44.31 C ATOM 2383 O ASP B 35 7.943 -0.329 9.983 1.00 75.00 O ATOM 2384 CB ASP B 35 5.263 -0.855 11.770 1.00 32.43 C ATOM 2385 CG ASP B 35 4.861 0.475 11.179 1.00 72.12 C ATOM 2386 OD1 ASP B 35 3.888 0.526 10.427 1.00 52.23 O ATOM 2387 OD2 ASP B 35 5.464 1.492 11.471 1.00 42.43 O ATOM 0 H ASP B 35 5.783 -3.189 12.290 1.00 2.44 H new ATOM 0 HA ASP B 35 5.765 -1.681 9.850 1.00 13.15 H new ATOM 0 HB2 ASP B 35 4.362 -1.423 12.001 1.00 32.43 H new ATOM 0 HB3 ASP B 35 5.779 -0.678 12.714 1.00 32.43 H new ATOM 2392 N LYS B 36 8.470 -1.704 11.702 1.00 42.02 N ATOM 2393 CA LYS B 36 9.904 -1.344 11.753 1.00 45.21 C ATOM 2394 C LYS B 36 10.645 -1.897 10.565 1.00 51.01 C ATOM 2395 O LYS B 36 11.592 -1.295 10.072 1.00 13.32 O ATOM 2396 CB LYS B 36 10.597 -1.920 12.976 1.00 44.03 C ATOM 2397 CG LYS B 36 10.211 -1.379 14.316 1.00 1.51 C ATOM 2398 CD LYS B 36 10.971 -2.155 15.367 1.00 42.31 C ATOM 2399 CE LYS B 36 10.735 -1.646 16.754 1.00 33.22 C ATOM 2400 NZ LYS B 36 11.414 -2.505 17.748 1.00 21.43 N ATOM 0 H LYS B 36 8.195 -2.398 12.397 1.00 42.02 H new ATOM 0 HA LYS B 36 9.927 -0.254 11.773 1.00 45.21 H new ATOM 0 HB2 LYS B 36 10.420 -2.996 12.986 1.00 44.03 H new ATOM 0 HB3 LYS B 36 11.670 -1.774 12.853 1.00 44.03 H new ATOM 0 HG2 LYS B 36 10.447 -0.317 14.381 1.00 1.51 H new ATOM 0 HG3 LYS B 36 9.137 -1.477 14.472 1.00 1.51 H new ATOM 0 HD2 LYS B 36 10.681 -3.204 15.317 1.00 42.31 H new ATOM 0 HD3 LYS B 36 12.037 -2.108 15.145 1.00 42.31 H new ATOM 0 HE2 LYS B 36 11.102 -0.623 16.839 1.00 33.22 H new ATOM 0 HE3 LYS B 36 9.665 -1.619 16.960 1.00 33.22 H new ATOM 0 HZ1 LYS B 36 11.670 -1.937 18.581 1.00 21.43 H new ATOM 0 HZ2 LYS B 36 10.776 -3.274 18.036 1.00 21.43 H new ATOM 0 HZ3 LYS B 36 12.275 -2.909 17.327 1.00 21.43 H new ATOM 2414 N ARG B 37 10.235 -3.053 10.113 1.00 31.34 N ATOM 2415 CA ARG B 37 10.930 -3.717 9.037 1.00 73.23 C ATOM 2416 C ARG B 37 10.207 -3.487 7.720 1.00 54.32 C ATOM 2417 O ARG B 37 10.416 -4.188 6.728 1.00 60.24 O ATOM 2418 CB ARG B 37 11.200 -5.203 9.377 1.00 34.44 C ATOM 2419 CG ARG B 37 9.977 -6.022 9.722 1.00 33.20 C ATOM 2420 CD ARG B 37 10.337 -7.401 10.243 1.00 2.42 C ATOM 2421 NE ARG B 37 11.025 -7.322 11.547 1.00 22.30 N ATOM 2422 CZ ARG B 37 11.220 -8.352 12.383 1.00 14.22 C ATOM 2423 NH1 ARG B 37 10.848 -9.580 12.040 1.00 45.41 N ATOM 2424 NH2 ARG B 37 11.801 -8.147 13.558 1.00 21.24 N ATOM 0 H ARG B 37 9.423 -3.556 10.472 1.00 31.34 H new ATOM 0 HA ARG B 37 11.919 -3.277 8.912 1.00 73.23 H new ATOM 0 HB2 ARG B 37 11.700 -5.668 8.527 1.00 34.44 H new ATOM 0 HB3 ARG B 37 11.894 -5.246 10.217 1.00 34.44 H new ATOM 0 HG2 ARG B 37 9.389 -5.494 10.473 1.00 33.20 H new ATOM 0 HG3 ARG B 37 9.348 -6.123 8.837 1.00 33.20 H new ATOM 0 HD2 ARG B 37 9.433 -8.001 10.343 1.00 2.42 H new ATOM 0 HD3 ARG B 37 10.978 -7.908 9.522 1.00 2.42 H new ATOM 0 HE ARG B 37 11.381 -6.410 11.835 1.00 22.30 H new ATOM 0 HH11 ARG B 37 10.410 -9.746 11.134 1.00 45.41 H new ATOM 0 HH12 ARG B 37 11.000 -10.357 12.683 1.00 45.41 H new ATOM 0 HH21 ARG B 37 12.098 -7.208 13.823 1.00 21.24 H new ATOM 0 HH22 ARG B 37 11.951 -8.928 14.196 1.00 21.24 H new ATOM 2438 N SER B 38 9.394 -2.459 7.726 1.00 75.31 N ATOM 2439 CA SER B 38 8.723 -1.984 6.556 1.00 0.33 C ATOM 2440 C SER B 38 9.531 -0.825 5.968 1.00 15.45 C ATOM 2441 O SER B 38 10.332 -0.180 6.667 1.00 40.34 O ATOM 2442 CB SER B 38 7.318 -1.476 6.929 1.00 12.12 C ATOM 2443 OG SER B 38 6.503 -2.500 7.465 1.00 51.30 O ATOM 0 H SER B 38 9.180 -1.922 8.567 1.00 75.31 H new ATOM 0 HA SER B 38 8.632 -2.793 5.831 1.00 0.33 H new ATOM 0 HB2 SER B 38 7.407 -0.668 7.655 1.00 12.12 H new ATOM 0 HB3 SER B 38 6.838 -1.058 6.044 1.00 12.12 H new ATOM 0 HG SER B 38 6.988 -2.964 8.179 1.00 51.30 H new ATOM 2449 N VAL B 39 9.329 -0.565 4.713 1.00 13.53 N ATOM 2450 CA VAL B 39 9.971 0.547 4.060 1.00 52.32 C ATOM 2451 C VAL B 39 8.956 1.325 3.290 1.00 12.25 C ATOM 2452 O VAL B 39 7.912 0.788 2.917 1.00 10.32 O ATOM 2453 CB VAL B 39 11.147 0.158 3.112 1.00 74.30 C ATOM 2454 CG1 VAL B 39 12.296 -0.464 3.875 1.00 4.55 C ATOM 2455 CG2 VAL B 39 10.680 -0.761 2.005 1.00 5.45 C ATOM 0 H VAL B 39 8.717 -1.113 4.109 1.00 13.53 H new ATOM 0 HA VAL B 39 10.414 1.143 4.858 1.00 52.32 H new ATOM 0 HB VAL B 39 11.510 1.079 2.657 1.00 74.30 H new ATOM 0 HG11 VAL B 39 13.096 -0.722 3.181 1.00 4.55 H new ATOM 0 HG12 VAL B 39 12.670 0.246 4.613 1.00 4.55 H new ATOM 0 HG13 VAL B 39 11.951 -1.365 4.382 1.00 4.55 H new ATOM 0 HG21 VAL B 39 11.523 -1.013 1.362 1.00 5.45 H new ATOM 0 HG22 VAL B 39 10.268 -1.673 2.438 1.00 5.45 H new ATOM 0 HG23 VAL B 39 9.912 -0.260 1.416 1.00 5.45 H new ATOM 2465 N TYR B 40 9.272 2.553 3.038 1.00 21.23 N ATOM 2466 CA TYR B 40 8.444 3.465 2.318 1.00 34.02 C ATOM 2467 C TYR B 40 9.000 3.609 0.951 1.00 21.24 C ATOM 2468 O TYR B 40 10.148 4.007 0.798 1.00 30.45 O ATOM 2469 CB TYR B 40 8.443 4.847 3.012 1.00 22.11 C ATOM 2470 CG TYR B 40 7.901 5.990 2.148 1.00 44.34 C ATOM 2471 CD1 TYR B 40 6.541 6.148 1.898 1.00 23.23 C ATOM 2472 CD2 TYR B 40 8.777 6.902 1.575 1.00 1.43 C ATOM 2473 CE1 TYR B 40 6.080 7.185 1.105 1.00 51.35 C ATOM 2474 CE2 TYR B 40 8.336 7.930 0.790 1.00 21.25 C ATOM 2475 CZ TYR B 40 6.980 8.073 0.553 1.00 71.05 C ATOM 2476 OH TYR B 40 6.526 9.104 -0.241 1.00 45.00 O ATOM 0 H TYR B 40 10.154 2.966 3.342 1.00 21.23 H new ATOM 0 HA TYR B 40 7.422 3.088 2.284 1.00 34.02 H new ATOM 0 HB2 TYR B 40 7.847 4.782 3.922 1.00 22.11 H new ATOM 0 HB3 TYR B 40 9.462 5.089 3.315 1.00 22.11 H new ATOM 0 HD1 TYR B 40 5.836 5.452 2.328 1.00 23.23 H new ATOM 0 HD2 TYR B 40 9.837 6.796 1.755 1.00 1.43 H new ATOM 0 HE1 TYR B 40 5.022 7.298 0.920 1.00 51.35 H new ATOM 0 HE2 TYR B 40 9.040 8.625 0.358 1.00 21.25 H new ATOM 0 HH TYR B 40 7.287 9.639 -0.550 1.00 45.00 H new ATOM 2486 N VAL B 41 8.237 3.258 -0.020 1.00 50.42 N ATOM 2487 CA VAL B 41 8.614 3.428 -1.379 1.00 40.02 C ATOM 2488 C VAL B 41 7.705 4.485 -1.973 1.00 74.30 C ATOM 2489 O VAL B 41 6.510 4.257 -2.131 1.00 35.14 O ATOM 2490 CB VAL B 41 8.454 2.105 -2.150 1.00 40.32 C ATOM 2491 CG1 VAL B 41 8.872 2.261 -3.611 1.00 32.13 C ATOM 2492 CG2 VAL B 41 9.258 1.006 -1.483 1.00 12.21 C ATOM 0 H VAL B 41 7.317 2.837 0.108 1.00 50.42 H new ATOM 0 HA VAL B 41 9.659 3.731 -1.448 1.00 40.02 H new ATOM 0 HB VAL B 41 7.399 1.830 -2.132 1.00 40.32 H new ATOM 0 HG11 VAL B 41 8.748 1.310 -4.129 1.00 32.13 H new ATOM 0 HG12 VAL B 41 8.250 3.018 -4.089 1.00 32.13 H new ATOM 0 HG13 VAL B 41 9.917 2.567 -3.660 1.00 32.13 H new ATOM 0 HG21 VAL B 41 9.135 0.077 -2.039 1.00 12.21 H new ATOM 0 HG22 VAL B 41 10.312 1.284 -1.469 1.00 12.21 H new ATOM 0 HG23 VAL B 41 8.906 0.867 -0.461 1.00 12.21 H new ATOM 2502 N GLY B 42 8.245 5.639 -2.257 1.00 62.24 N ATOM 2503 CA GLY B 42 7.441 6.720 -2.760 1.00 52.31 C ATOM 2504 C GLY B 42 7.778 7.085 -4.178 1.00 51.25 C ATOM 2505 O GLY B 42 8.737 6.561 -4.744 1.00 52.43 O ATOM 0 H GLY B 42 9.236 5.855 -2.149 1.00 62.24 H new ATOM 0 HA2 GLY B 42 6.389 6.442 -2.701 1.00 52.31 H new ATOM 0 HA3 GLY B 42 7.576 7.594 -2.123 1.00 52.31 H new ATOM 2509 N ASN B 43 6.976 7.998 -4.736 1.00 11.32 N ATOM 2510 CA ASN B 43 7.058 8.498 -6.145 1.00 31.40 C ATOM 2511 C ASN B 43 6.851 7.354 -7.167 1.00 11.22 C ATOM 2512 O ASN B 43 7.013 7.514 -8.370 1.00 44.04 O ATOM 2513 CB ASN B 43 8.358 9.317 -6.396 1.00 14.22 C ATOM 2514 CG ASN B 43 8.319 10.144 -7.703 1.00 31.42 C ATOM 2515 OD1 ASN B 43 7.820 11.274 -7.717 1.00 24.41 O ATOM 2516 ND2 ASN B 43 8.895 9.646 -8.758 1.00 45.03 N ATOM 0 H ASN B 43 6.218 8.436 -4.213 1.00 11.32 H new ATOM 0 HA ASN B 43 6.234 9.195 -6.297 1.00 31.40 H new ATOM 0 HB2 ASN B 43 8.524 9.989 -5.554 1.00 14.22 H new ATOM 0 HB3 ASN B 43 9.207 8.635 -6.431 1.00 14.22 H new ATOM 0 HD21 ASN B 43 8.941 10.191 -9.619 1.00 45.03 H new ATOM 0 HD22 ASN B 43 9.301 8.711 -8.724 1.00 45.03 H new ATOM 2523 N VAL B 44 6.464 6.216 -6.656 1.00 64.02 N ATOM 2524 CA VAL B 44 6.096 5.086 -7.455 1.00 23.40 C ATOM 2525 C VAL B 44 4.633 5.284 -7.832 1.00 25.25 C ATOM 2526 O VAL B 44 3.722 4.901 -7.115 1.00 34.23 O ATOM 2527 CB VAL B 44 6.376 3.731 -6.686 1.00 22.10 C ATOM 2528 CG1 VAL B 44 5.703 3.676 -5.316 1.00 72.45 C ATOM 2529 CG2 VAL B 44 5.995 2.536 -7.513 1.00 11.13 C ATOM 0 H VAL B 44 6.396 6.049 -5.652 1.00 64.02 H new ATOM 0 HA VAL B 44 6.696 5.014 -8.362 1.00 23.40 H new ATOM 0 HB VAL B 44 7.452 3.701 -6.514 1.00 22.10 H new ATOM 0 HG11 VAL B 44 5.931 2.724 -4.837 1.00 72.45 H new ATOM 0 HG12 VAL B 44 6.073 4.492 -4.696 1.00 72.45 H new ATOM 0 HG13 VAL B 44 4.624 3.772 -5.437 1.00 72.45 H new ATOM 0 HG21 VAL B 44 6.202 1.625 -6.952 1.00 11.13 H new ATOM 0 HG22 VAL B 44 4.932 2.582 -7.751 1.00 11.13 H new ATOM 0 HG23 VAL B 44 6.574 2.533 -8.436 1.00 11.13 H new ATOM 2539 N ASP B 45 4.407 5.925 -8.957 1.00 4.05 N ATOM 2540 CA ASP B 45 3.083 6.427 -9.231 1.00 53.32 C ATOM 2541 C ASP B 45 2.132 5.442 -9.779 1.00 20.12 C ATOM 2542 O ASP B 45 2.022 5.282 -10.973 1.00 25.24 O ATOM 2543 CB ASP B 45 3.070 7.701 -10.068 1.00 4.14 C ATOM 2544 CG ASP B 45 3.645 8.880 -9.348 1.00 2.20 C ATOM 2545 OD1 ASP B 45 2.996 9.375 -8.409 1.00 32.12 O ATOM 2546 OD2 ASP B 45 4.749 9.331 -9.710 1.00 14.22 O ATOM 0 H ASP B 45 5.104 6.107 -9.679 1.00 4.05 H new ATOM 0 HA ASP B 45 2.721 6.673 -8.233 1.00 53.32 H new ATOM 0 HB2 ASP B 45 3.634 7.532 -10.985 1.00 4.14 H new ATOM 0 HB3 ASP B 45 2.045 7.926 -10.361 1.00 4.14 H new ATOM 2551 N TYR B 46 1.535 4.734 -8.871 1.00 52.23 N ATOM 2552 CA TYR B 46 0.332 3.945 -9.099 1.00 61.21 C ATOM 2553 C TYR B 46 0.562 2.679 -9.977 1.00 25.02 C ATOM 2554 O TYR B 46 0.512 1.559 -9.479 1.00 30.35 O ATOM 2555 CB TYR B 46 -0.738 4.868 -9.749 1.00 42.25 C ATOM 2556 CG TYR B 46 -2.125 4.321 -9.760 1.00 73.34 C ATOM 2557 CD1 TYR B 46 -2.473 3.240 -10.541 1.00 51.21 C ATOM 2558 CD2 TYR B 46 -3.090 4.892 -8.967 1.00 61.51 C ATOM 2559 CE1 TYR B 46 -3.735 2.746 -10.525 1.00 61.31 C ATOM 2560 CE2 TYR B 46 -4.363 4.410 -8.944 1.00 50.24 C ATOM 2561 CZ TYR B 46 -4.680 3.326 -9.728 1.00 0.14 C ATOM 2562 OH TYR B 46 -5.932 2.810 -9.711 1.00 32.00 O ATOM 0 H TYR B 46 1.873 4.678 -7.910 1.00 52.23 H new ATOM 0 HA TYR B 46 -0.003 3.567 -8.133 1.00 61.21 H new ATOM 0 HB2 TYR B 46 -0.744 5.820 -9.218 1.00 42.25 H new ATOM 0 HB3 TYR B 46 -0.439 5.077 -10.776 1.00 42.25 H new ATOM 0 HD1 TYR B 46 -1.729 2.780 -11.175 1.00 51.21 H new ATOM 0 HD2 TYR B 46 -2.834 5.740 -8.349 1.00 61.51 H new ATOM 0 HE1 TYR B 46 -3.992 1.897 -11.140 1.00 61.31 H new ATOM 0 HE2 TYR B 46 -5.113 4.872 -8.319 1.00 50.24 H new ATOM 0 HH TYR B 46 -6.526 3.374 -10.249 1.00 32.00 H new ATOM 2572 N GLY B 47 0.837 2.895 -11.268 1.00 74.21 N ATOM 2573 CA GLY B 47 0.880 1.828 -12.275 1.00 44.01 C ATOM 2574 C GLY B 47 1.985 0.797 -12.121 1.00 14.32 C ATOM 2575 O GLY B 47 2.039 -0.166 -12.890 1.00 75.50 O ATOM 0 H GLY B 47 1.037 3.821 -11.646 1.00 74.21 H new ATOM 0 HA2 GLY B 47 -0.077 1.307 -12.262 1.00 44.01 H new ATOM 0 HA3 GLY B 47 0.978 2.290 -13.258 1.00 44.01 H new ATOM 2579 N SER B 48 2.861 0.977 -11.175 1.00 41.01 N ATOM 2580 CA SER B 48 3.907 0.018 -10.955 1.00 15.22 C ATOM 2581 C SER B 48 3.337 -1.269 -10.353 1.00 10.34 C ATOM 2582 O SER B 48 2.595 -1.232 -9.370 1.00 62.24 O ATOM 2583 CB SER B 48 4.961 0.605 -10.060 1.00 44.44 C ATOM 2584 OG SER B 48 5.587 1.744 -10.657 1.00 70.42 O ATOM 0 H SER B 48 2.873 1.778 -10.544 1.00 41.01 H new ATOM 0 HA SER B 48 4.364 -0.232 -11.912 1.00 15.22 H new ATOM 0 HB2 SER B 48 4.512 0.893 -9.109 1.00 44.44 H new ATOM 0 HB3 SER B 48 5.715 -0.151 -9.841 1.00 44.44 H new ATOM 0 HG SER B 48 6.561 1.639 -10.619 1.00 70.42 H new ATOM 2590 N THR B 49 3.691 -2.385 -10.936 1.00 53.13 N ATOM 2591 CA THR B 49 3.158 -3.651 -10.498 1.00 2.33 C ATOM 2592 C THR B 49 3.878 -4.162 -9.247 1.00 13.43 C ATOM 2593 O THR B 49 5.059 -3.868 -9.033 1.00 54.40 O ATOM 2594 CB THR B 49 3.194 -4.700 -11.625 1.00 35.23 C ATOM 2595 OG1 THR B 49 4.516 -4.796 -12.186 1.00 54.12 O ATOM 2596 CG2 THR B 49 2.193 -4.360 -12.719 1.00 33.22 C ATOM 0 H THR B 49 4.346 -2.444 -11.716 1.00 53.13 H new ATOM 0 HA THR B 49 2.114 -3.486 -10.234 1.00 2.33 H new ATOM 0 HB THR B 49 2.922 -5.662 -11.192 1.00 35.23 H new ATOM 0 HG1 THR B 49 4.521 -5.468 -12.899 1.00 54.12 H new ATOM 0 HG21 THR B 49 2.239 -5.117 -13.502 1.00 33.22 H new ATOM 0 HG22 THR B 49 1.188 -4.335 -12.298 1.00 33.22 H new ATOM 0 HG23 THR B 49 2.434 -3.385 -13.142 1.00 33.22 H new ATOM 2604 N ALA B 50 3.172 -4.937 -8.440 1.00 3.41 N ATOM 2605 CA ALA B 50 3.669 -5.433 -7.173 1.00 25.23 C ATOM 2606 C ALA B 50 4.787 -6.469 -7.371 1.00 31.14 C ATOM 2607 O ALA B 50 5.789 -6.457 -6.667 1.00 72.23 O ATOM 2608 CB ALA B 50 2.491 -5.999 -6.393 1.00 14.21 C ATOM 0 H ALA B 50 2.222 -5.242 -8.653 1.00 3.41 H new ATOM 0 HA ALA B 50 4.120 -4.619 -6.605 1.00 25.23 H new ATOM 0 HB1 ALA B 50 2.840 -6.380 -5.433 1.00 14.21 H new ATOM 0 HB2 ALA B 50 1.754 -5.213 -6.226 1.00 14.21 H new ATOM 0 HB3 ALA B 50 2.035 -6.810 -6.961 1.00 14.21 H new ATOM 2614 N GLN B 51 4.597 -7.342 -8.340 1.00 23.43 N ATOM 2615 CA GLN B 51 5.609 -8.336 -8.740 1.00 52.14 C ATOM 2616 C GLN B 51 6.925 -7.667 -9.150 1.00 54.24 C ATOM 2617 O GLN B 51 8.022 -8.133 -8.793 1.00 74.43 O ATOM 2618 CB GLN B 51 4.970 -9.222 -9.856 1.00 62.14 C ATOM 2619 CG GLN B 51 5.843 -10.136 -10.722 1.00 32.10 C ATOM 2620 CD GLN B 51 6.638 -9.467 -11.853 1.00 75.43 C ATOM 2621 OE1 GLN B 51 7.828 -9.019 -11.589 1.00 2.40 O flip ATOM 2622 NE2 GLN B 51 6.154 -9.368 -12.966 1.00 13.25 N flip ATOM 0 H GLN B 51 3.735 -7.393 -8.884 1.00 23.43 H new ATOM 0 HA GLN B 51 5.888 -8.976 -7.903 1.00 52.14 H new ATOM 0 HB2 GLN B 51 4.222 -9.853 -9.376 1.00 62.14 H new ATOM 0 HB3 GLN B 51 4.437 -8.553 -10.531 1.00 62.14 H new ATOM 0 HG2 GLN B 51 6.548 -10.650 -10.069 1.00 32.10 H new ATOM 0 HG3 GLN B 51 5.202 -10.900 -11.163 1.00 32.10 H new ATOM 0 HE21 GLN B 51 5.217 -9.728 -13.149 1.00 13.25 H new ATOM 0 HE22 GLN B 51 6.685 -8.925 -13.716 1.00 13.25 H new ATOM 2631 N ASP B 52 6.813 -6.593 -9.878 1.00 5.34 N ATOM 2632 CA ASP B 52 7.970 -5.812 -10.311 1.00 64.12 C ATOM 2633 C ASP B 52 8.630 -5.102 -9.122 1.00 25.33 C ATOM 2634 O ASP B 52 9.867 -4.979 -9.049 1.00 13.41 O ATOM 2635 CB ASP B 52 7.541 -4.885 -11.454 1.00 32.24 C ATOM 2636 CG ASP B 52 8.472 -3.788 -11.808 1.00 23.04 C ATOM 2637 OD1 ASP B 52 9.529 -4.069 -12.369 1.00 4.21 O ATOM 2638 OD2 ASP B 52 8.129 -2.620 -11.605 1.00 63.33 O ATOM 0 H ASP B 52 5.919 -6.220 -10.197 1.00 5.34 H new ATOM 0 HA ASP B 52 8.751 -6.461 -10.708 1.00 64.12 H new ATOM 0 HB2 ASP B 52 7.380 -5.494 -12.343 1.00 32.24 H new ATOM 0 HB3 ASP B 52 6.580 -4.444 -11.191 1.00 32.24 H new ATOM 2643 N LEU B 53 7.804 -4.688 -8.177 1.00 44.42 N ATOM 2644 CA LEU B 53 8.269 -4.138 -6.909 1.00 74.25 C ATOM 2645 C LEU B 53 9.081 -5.151 -6.124 1.00 41.32 C ATOM 2646 O LEU B 53 10.169 -4.817 -5.614 1.00 51.42 O ATOM 2647 CB LEU B 53 7.086 -3.609 -6.087 1.00 34.44 C ATOM 2648 CG LEU B 53 6.603 -2.220 -6.460 1.00 3.42 C ATOM 2649 CD1 LEU B 53 5.233 -1.961 -5.856 1.00 55.41 C ATOM 2650 CD2 LEU B 53 7.601 -1.205 -5.912 1.00 4.22 C ATOM 0 H LEU B 53 6.788 -4.723 -8.265 1.00 44.42 H new ATOM 0 HA LEU B 53 8.932 -3.301 -7.128 1.00 74.25 H new ATOM 0 HB2 LEU B 53 6.253 -4.305 -6.191 1.00 34.44 H new ATOM 0 HB3 LEU B 53 7.369 -3.606 -5.034 1.00 34.44 H new ATOM 0 HG LEU B 53 6.526 -2.134 -7.544 1.00 3.42 H new ATOM 0 HD11 LEU B 53 4.897 -0.961 -6.131 1.00 55.41 H new ATOM 0 HD12 LEU B 53 4.524 -2.698 -6.233 1.00 55.41 H new ATOM 0 HD13 LEU B 53 5.294 -2.038 -4.770 1.00 55.41 H new ATOM 0 HD21 LEU B 53 7.273 -0.198 -6.169 1.00 4.22 H new ATOM 0 HD22 LEU B 53 7.661 -1.302 -4.828 1.00 4.22 H new ATOM 0 HD23 LEU B 53 8.583 -1.389 -6.347 1.00 4.22 H new ATOM 2662 N GLU B 54 8.582 -6.388 -6.021 1.00 15.55 N ATOM 2663 CA GLU B 54 9.322 -7.429 -5.341 1.00 64.22 C ATOM 2664 C GLU B 54 10.665 -7.687 -5.933 1.00 33.32 C ATOM 2665 O GLU B 54 11.611 -7.763 -5.208 1.00 15.41 O ATOM 2666 CB GLU B 54 8.587 -8.751 -5.257 1.00 75.53 C ATOM 2667 CG GLU B 54 7.376 -8.764 -4.377 1.00 2.15 C ATOM 2668 CD GLU B 54 6.917 -10.165 -4.156 1.00 53.14 C ATOM 2669 OE1 GLU B 54 7.565 -10.894 -3.355 1.00 62.41 O ATOM 2670 OE2 GLU B 54 5.943 -10.599 -4.793 1.00 32.13 O ATOM 0 H GLU B 54 7.680 -6.679 -6.398 1.00 15.55 H new ATOM 0 HA GLU B 54 9.440 -7.025 -4.336 1.00 64.22 H new ATOM 0 HB2 GLU B 54 8.286 -9.043 -6.263 1.00 75.53 H new ATOM 0 HB3 GLU B 54 9.282 -9.510 -4.899 1.00 75.53 H new ATOM 0 HG2 GLU B 54 7.607 -8.294 -3.421 1.00 2.15 H new ATOM 0 HG3 GLU B 54 6.578 -8.180 -4.835 1.00 2.15 H new ATOM 2677 N ALA B 55 10.751 -7.814 -7.241 1.00 21.31 N ATOM 2678 CA ALA B 55 12.032 -8.140 -7.882 1.00 14.24 C ATOM 2679 C ALA B 55 13.126 -7.141 -7.476 1.00 45.13 C ATOM 2680 O ALA B 55 14.232 -7.543 -7.005 1.00 52.11 O ATOM 2681 CB ALA B 55 11.866 -8.168 -9.396 1.00 70.10 C ATOM 0 H ALA B 55 9.967 -7.701 -7.884 1.00 21.31 H new ATOM 0 HA ALA B 55 12.343 -9.128 -7.543 1.00 14.24 H new ATOM 0 HB1 ALA B 55 12.821 -8.410 -9.862 1.00 70.10 H new ATOM 0 HB2 ALA B 55 11.128 -8.923 -9.667 1.00 70.10 H new ATOM 0 HB3 ALA B 55 11.530 -7.191 -9.743 1.00 70.10 H new ATOM 2687 N HIS B 56 12.786 -5.866 -7.554 1.00 70.33 N ATOM 2688 CA HIS B 56 13.723 -4.809 -7.226 1.00 62.52 C ATOM 2689 C HIS B 56 14.117 -4.864 -5.747 1.00 30.30 C ATOM 2690 O HIS B 56 15.276 -4.697 -5.409 1.00 2.20 O ATOM 2691 CB HIS B 56 13.149 -3.426 -7.617 1.00 41.45 C ATOM 2692 CG HIS B 56 14.078 -2.247 -7.390 1.00 52.12 C ATOM 2693 ND1 HIS B 56 15.256 -2.071 -8.077 1.00 54.23 N ATOM 2694 CD2 HIS B 56 13.982 -1.182 -6.553 1.00 54.24 C ATOM 2695 CE1 HIS B 56 15.845 -0.966 -7.680 1.00 70.41 C ATOM 2696 NE2 HIS B 56 15.097 -0.398 -6.758 1.00 35.43 N ATOM 0 H HIS B 56 11.864 -5.538 -7.843 1.00 70.33 H new ATOM 0 HA HIS B 56 14.632 -4.963 -7.808 1.00 62.52 H new ATOM 0 HB2 HIS B 56 12.873 -3.451 -8.671 1.00 41.45 H new ATOM 0 HB3 HIS B 56 12.233 -3.259 -7.051 1.00 41.45 H new ATOM 0 HD2 HIS B 56 13.181 -0.986 -5.856 1.00 54.24 H new ATOM 0 HE1 HIS B 56 16.787 -0.587 -8.049 1.00 70.41 H new ATOM 0 HE2 HIS B 56 15.307 0.476 -6.276 1.00 35.43 H new ATOM 2705 N PHE B 57 13.153 -5.100 -4.879 1.00 53.14 N ATOM 2706 CA PHE B 57 13.410 -5.155 -3.448 1.00 0.13 C ATOM 2707 C PHE B 57 13.937 -6.487 -2.915 1.00 22.03 C ATOM 2708 O PHE B 57 14.629 -6.516 -1.901 1.00 23.24 O ATOM 2709 CB PHE B 57 12.253 -4.613 -2.640 1.00 31.55 C ATOM 2710 CG PHE B 57 12.211 -3.128 -2.686 1.00 32.12 C ATOM 2711 CD1 PHE B 57 13.069 -2.420 -1.896 1.00 13.10 C ATOM 2712 CD2 PHE B 57 11.352 -2.438 -3.520 1.00 22.22 C ATOM 2713 CE1 PHE B 57 13.084 -1.057 -1.911 1.00 41.43 C ATOM 2714 CE2 PHE B 57 11.365 -1.059 -3.540 1.00 52.43 C ATOM 2715 CZ PHE B 57 12.232 -0.376 -2.733 1.00 40.14 C ATOM 0 H PHE B 57 12.179 -5.258 -5.138 1.00 53.14 H new ATOM 0 HA PHE B 57 14.256 -4.482 -3.306 1.00 0.13 H new ATOM 0 HB2 PHE B 57 11.317 -5.018 -3.025 1.00 31.55 H new ATOM 0 HB3 PHE B 57 12.342 -4.945 -1.605 1.00 31.55 H new ATOM 0 HD1 PHE B 57 13.750 -2.950 -1.246 1.00 13.10 H new ATOM 0 HD2 PHE B 57 10.669 -2.980 -4.158 1.00 22.22 H new ATOM 0 HE1 PHE B 57 13.768 -0.517 -1.274 1.00 41.43 H new ATOM 0 HE2 PHE B 57 10.692 -0.520 -4.191 1.00 52.43 H new ATOM 0 HZ PHE B 57 12.243 0.704 -2.746 1.00 40.14 H new ATOM 2725 N SER B 58 13.639 -7.570 -3.601 1.00 41.23 N ATOM 2726 CA SER B 58 14.039 -8.899 -3.146 1.00 42.54 C ATOM 2727 C SER B 58 15.523 -9.072 -3.258 1.00 71.51 C ATOM 2728 O SER B 58 16.116 -9.878 -2.543 1.00 30.14 O ATOM 2729 CB SER B 58 13.297 -10.013 -3.887 1.00 15.14 C ATOM 2730 OG SER B 58 11.900 -9.927 -3.646 1.00 31.44 O ATOM 0 H SER B 58 13.120 -7.563 -4.479 1.00 41.23 H new ATOM 0 HA SER B 58 13.760 -8.979 -2.095 1.00 42.54 H new ATOM 0 HB2 SER B 58 13.493 -9.939 -4.957 1.00 15.14 H new ATOM 0 HB3 SER B 58 13.669 -10.985 -3.562 1.00 15.14 H new ATOM 0 HG SER B 58 11.544 -9.119 -4.071 1.00 31.44 H new ATOM 2736 N SER B 59 16.144 -8.319 -4.156 1.00 44.52 N ATOM 2737 CA SER B 59 17.583 -8.305 -4.227 1.00 13.34 C ATOM 2738 C SER B 59 18.200 -7.856 -2.865 1.00 72.12 C ATOM 2739 O SER B 59 19.318 -8.249 -2.509 1.00 62.22 O ATOM 2740 CB SER B 59 18.010 -7.363 -5.345 1.00 11.21 C ATOM 2741 OG SER B 59 17.379 -7.734 -6.566 1.00 33.31 O ATOM 0 H SER B 59 15.673 -7.720 -4.834 1.00 44.52 H new ATOM 0 HA SER B 59 17.946 -9.311 -4.438 1.00 13.34 H new ATOM 0 HB2 SER B 59 17.746 -6.337 -5.087 1.00 11.21 H new ATOM 0 HB3 SER B 59 19.093 -7.393 -5.463 1.00 11.21 H new ATOM 0 HG SER B 59 17.659 -7.121 -7.278 1.00 33.31 H new ATOM 2747 N CYS B 60 17.454 -7.063 -2.105 1.00 41.34 N ATOM 2748 CA CYS B 60 17.918 -6.557 -0.823 1.00 50.22 C ATOM 2749 C CYS B 60 17.367 -7.337 0.389 1.00 3.54 C ATOM 2750 O CYS B 60 17.607 -6.949 1.544 1.00 70.42 O ATOM 2751 CB CYS B 60 17.570 -5.087 -0.709 1.00 62.04 C ATOM 2752 SG CYS B 60 18.273 -4.078 -2.027 1.00 54.12 S ATOM 0 H CYS B 60 16.516 -6.755 -2.360 1.00 41.34 H new ATOM 0 HA CYS B 60 18.999 -6.696 -0.798 1.00 50.22 H new ATOM 0 HB2 CYS B 60 16.486 -4.977 -0.717 1.00 62.04 H new ATOM 0 HB3 CYS B 60 17.922 -4.712 0.252 1.00 62.04 H new ATOM 0 HG CYS B 60 18.948 -3.096 -1.508 1.00 54.12 H new ATOM 2758 N GLY B 61 16.681 -8.435 0.156 1.00 40.11 N ATOM 2759 CA GLY B 61 16.164 -9.174 1.290 1.00 71.51 C ATOM 2760 C GLY B 61 14.951 -10.011 1.009 1.00 42.13 C ATOM 2761 O GLY B 61 14.578 -10.223 -0.140 1.00 35.33 O ATOM 0 H GLY B 61 16.474 -8.824 -0.764 1.00 40.11 H new ATOM 0 HA2 GLY B 61 16.953 -9.823 1.670 1.00 71.51 H new ATOM 0 HA3 GLY B 61 15.922 -8.467 2.084 1.00 71.51 H new ATOM 2765 N SER B 62 14.339 -10.480 2.072 1.00 2.23 N ATOM 2766 CA SER B 62 13.201 -11.358 2.001 1.00 62.51 C ATOM 2767 C SER B 62 11.914 -10.572 2.259 1.00 13.01 C ATOM 2768 O SER B 62 11.758 -9.953 3.315 1.00 63.00 O ATOM 2769 CB SER B 62 13.361 -12.438 3.065 1.00 31.21 C ATOM 2770 OG SER B 62 14.648 -13.042 2.975 1.00 41.05 O ATOM 0 H SER B 62 14.625 -10.256 3.025 1.00 2.23 H new ATOM 0 HA SER B 62 13.142 -11.808 1.010 1.00 62.51 H new ATOM 0 HB2 SER B 62 13.225 -12.004 4.055 1.00 31.21 H new ATOM 0 HB3 SER B 62 12.588 -13.196 2.941 1.00 31.21 H new ATOM 0 HG SER B 62 14.735 -13.732 3.666 1.00 41.05 H new ATOM 2776 N ILE B 63 11.027 -10.588 1.306 1.00 30.32 N ATOM 2777 CA ILE B 63 9.754 -9.897 1.408 1.00 10.41 C ATOM 2778 C ILE B 63 8.675 -10.765 2.070 1.00 3.02 C ATOM 2779 O ILE B 63 8.423 -11.888 1.652 1.00 53.03 O ATOM 2780 CB ILE B 63 9.292 -9.408 0.011 1.00 11.33 C ATOM 2781 CG1 ILE B 63 10.248 -8.313 -0.494 1.00 3.23 C ATOM 2782 CG2 ILE B 63 7.834 -8.953 0.006 1.00 1.11 C ATOM 2783 CD1 ILE B 63 9.912 -7.765 -1.857 1.00 5.03 C ATOM 0 H ILE B 63 11.159 -11.083 0.424 1.00 30.32 H new ATOM 0 HA ILE B 63 9.902 -9.030 2.052 1.00 10.41 H new ATOM 0 HB ILE B 63 9.335 -10.250 -0.680 1.00 11.33 H new ATOM 0 HG12 ILE B 63 10.249 -7.492 0.223 1.00 3.23 H new ATOM 0 HG13 ILE B 63 11.260 -8.716 -0.519 1.00 3.23 H new ATOM 0 HG21 ILE B 63 7.560 -8.620 -0.995 1.00 1.11 H new ATOM 0 HG22 ILE B 63 7.193 -9.784 0.301 1.00 1.11 H new ATOM 0 HG23 ILE B 63 7.707 -8.130 0.709 1.00 1.11 H new ATOM 0 HD11 ILE B 63 10.638 -7.000 -2.131 1.00 5.03 H new ATOM 0 HD12 ILE B 63 9.940 -8.571 -2.590 1.00 5.03 H new ATOM 0 HD13 ILE B 63 8.914 -7.327 -1.837 1.00 5.03 H new ATOM 2795 N ASN B 64 8.071 -10.225 3.111 1.00 20.43 N ATOM 2796 CA ASN B 64 6.972 -10.894 3.819 1.00 45.33 C ATOM 2797 C ASN B 64 5.659 -10.594 3.139 1.00 12.24 C ATOM 2798 O ASN B 64 4.840 -11.486 2.870 1.00 75.13 O ATOM 2799 CB ASN B 64 6.838 -10.377 5.256 1.00 42.04 C ATOM 2800 CG ASN B 64 7.993 -10.670 6.179 1.00 13.13 C ATOM 2801 OD1 ASN B 64 8.703 -11.661 6.030 1.00 31.45 O ATOM 2802 ND2 ASN B 64 8.158 -9.825 7.175 1.00 13.33 N ATOM 0 H ASN B 64 8.320 -9.314 3.497 1.00 20.43 H new ATOM 0 HA ASN B 64 7.197 -11.960 3.814 1.00 45.33 H new ATOM 0 HB2 ASN B 64 6.694 -9.297 5.220 1.00 42.04 H new ATOM 0 HB3 ASN B 64 5.935 -10.805 5.691 1.00 42.04 H new ATOM 0 HD21 ASN B 64 8.898 -9.982 7.859 1.00 13.33 H new ATOM 0 HD22 ASN B 64 7.546 -9.014 7.262 1.00 13.33 H new ATOM 2809 N ARG B 65 5.481 -9.330 2.849 1.00 23.32 N ATOM 2810 CA ARG B 65 4.240 -8.782 2.329 1.00 2.14 C ATOM 2811 C ARG B 65 4.592 -7.488 1.653 1.00 30.05 C ATOM 2812 O ARG B 65 5.688 -6.949 1.877 1.00 11.11 O ATOM 2813 CB ARG B 65 3.242 -8.432 3.478 1.00 20.11 C ATOM 2814 CG ARG B 65 2.910 -9.552 4.468 1.00 65.41 C ATOM 2815 CD ARG B 65 2.036 -9.053 5.621 1.00 64.31 C ATOM 2816 NE ARG B 65 0.660 -8.675 5.249 1.00 64.42 N ATOM 2817 CZ ARG B 65 0.084 -7.528 5.625 1.00 11.04 C ATOM 2818 NH1 ARG B 65 0.832 -6.504 6.002 1.00 53.01 N ATOM 2819 NH2 ARG B 65 -1.230 -7.385 5.552 1.00 61.33 N ATOM 0 H ARG B 65 6.212 -8.629 2.969 1.00 23.32 H new ATOM 0 HA ARG B 65 3.777 -9.512 1.666 1.00 2.14 H new ATOM 0 HB2 ARG B 65 3.651 -7.592 4.040 1.00 20.11 H new ATOM 0 HB3 ARG B 65 2.311 -8.090 3.027 1.00 20.11 H new ATOM 0 HG2 ARG B 65 2.396 -10.358 3.945 1.00 65.41 H new ATOM 0 HG3 ARG B 65 3.834 -9.970 4.867 1.00 65.41 H new ATOM 0 HD2 ARG B 65 1.988 -9.831 6.383 1.00 64.31 H new ATOM 0 HD3 ARG B 65 2.522 -8.190 6.077 1.00 64.31 H new ATOM 0 HE ARG B 65 0.119 -9.322 4.675 1.00 64.42 H new ATOM 0 HH11 ARG B 65 1.848 -6.589 6.006 1.00 53.01 H new ATOM 0 HH12 ARG B 65 0.392 -5.629 6.289 1.00 53.01 H new ATOM 0 HH21 ARG B 65 -1.808 -8.152 5.208 1.00 61.33 H new ATOM 0 HH22 ARG B 65 -1.664 -6.508 5.840 1.00 61.33 H new ATOM 2833 N ILE B 66 3.691 -6.971 0.876 1.00 23.42 N ATOM 2834 CA ILE B 66 3.868 -5.683 0.253 1.00 20.31 C ATOM 2835 C ILE B 66 2.529 -5.021 0.163 1.00 24.31 C ATOM 2836 O ILE B 66 1.512 -5.677 -0.071 1.00 72.44 O ATOM 2837 CB ILE B 66 4.577 -5.669 -1.160 1.00 74.52 C ATOM 2838 CG1 ILE B 66 3.806 -6.413 -2.234 1.00 20.21 C ATOM 2839 CG2 ILE B 66 6.004 -6.170 -1.092 1.00 5.51 C ATOM 2840 CD1 ILE B 66 4.530 -6.434 -3.567 1.00 34.15 C ATOM 0 H ILE B 66 2.807 -7.427 0.651 1.00 23.42 H new ATOM 0 HA ILE B 66 4.565 -5.141 0.892 1.00 20.31 H new ATOM 0 HB ILE B 66 4.595 -4.619 -1.452 1.00 74.52 H new ATOM 0 HG12 ILE B 66 3.629 -7.437 -1.905 1.00 20.21 H new ATOM 0 HG13 ILE B 66 2.829 -5.947 -2.363 1.00 20.21 H new ATOM 0 HG21 ILE B 66 6.448 -6.141 -2.087 1.00 5.51 H new ATOM 0 HG22 ILE B 66 6.581 -5.535 -0.419 1.00 5.51 H new ATOM 0 HG23 ILE B 66 6.013 -7.195 -0.721 1.00 5.51 H new ATOM 0 HD11 ILE B 66 3.932 -6.979 -4.297 1.00 34.15 H new ATOM 0 HD12 ILE B 66 4.683 -5.412 -3.914 1.00 34.15 H new ATOM 0 HD13 ILE B 66 5.496 -6.926 -3.449 1.00 34.15 H new ATOM 2852 N THR B 67 2.525 -3.766 0.370 1.00 34.31 N ATOM 2853 CA THR B 67 1.337 -2.998 0.357 1.00 55.44 C ATOM 2854 C THR B 67 1.536 -1.880 -0.631 1.00 31.51 C ATOM 2855 O THR B 67 2.507 -1.151 -0.532 1.00 25.32 O ATOM 2856 CB THR B 67 1.058 -2.420 1.764 1.00 71.20 C ATOM 2857 OG1 THR B 67 0.967 -3.493 2.717 1.00 34.41 O ATOM 2858 CG2 THR B 67 -0.237 -1.625 1.781 1.00 72.11 C ATOM 0 H THR B 67 3.368 -3.224 0.559 1.00 34.31 H new ATOM 0 HA THR B 67 0.485 -3.616 0.074 1.00 55.44 H new ATOM 0 HB THR B 67 1.879 -1.753 2.028 1.00 71.20 H new ATOM 0 HG1 THR B 67 0.792 -3.125 3.608 1.00 34.41 H new ATOM 0 HG21 THR B 67 -0.408 -1.230 2.782 1.00 72.11 H new ATOM 0 HG22 THR B 67 -0.167 -0.800 1.073 1.00 72.11 H new ATOM 0 HG23 THR B 67 -1.066 -2.274 1.500 1.00 72.11 H new ATOM 2866 N ILE B 68 0.660 -1.744 -1.574 1.00 25.15 N ATOM 2867 CA ILE B 68 0.804 -0.709 -2.551 1.00 74.34 C ATOM 2868 C ILE B 68 -0.428 0.125 -2.421 1.00 21.43 C ATOM 2869 O ILE B 68 -1.524 -0.380 -2.589 1.00 60.34 O ATOM 2870 CB ILE B 68 0.889 -1.217 -4.041 1.00 41.11 C ATOM 2871 CG1 ILE B 68 1.749 -2.484 -4.208 1.00 13.21 C ATOM 2872 CG2 ILE B 68 1.442 -0.121 -4.943 1.00 41.33 C ATOM 2873 CD1 ILE B 68 1.009 -3.763 -3.885 1.00 14.33 C ATOM 0 H ILE B 68 -0.163 -2.335 -1.690 1.00 25.15 H new ATOM 0 HA ILE B 68 1.741 -0.185 -2.363 1.00 74.34 H new ATOM 0 HB ILE B 68 -0.130 -1.475 -4.328 1.00 41.11 H new ATOM 0 HG12 ILE B 68 2.113 -2.534 -5.234 1.00 13.21 H new ATOM 0 HG13 ILE B 68 2.624 -2.407 -3.563 1.00 13.21 H new ATOM 0 HG21 ILE B 68 1.495 -0.486 -5.969 1.00 41.33 H new ATOM 0 HG22 ILE B 68 0.787 0.750 -4.901 1.00 41.33 H new ATOM 0 HG23 ILE B 68 2.440 0.159 -4.606 1.00 41.33 H new ATOM 0 HD11 ILE B 68 1.676 -4.614 -4.024 1.00 14.33 H new ATOM 0 HD12 ILE B 68 0.668 -3.735 -2.850 1.00 14.33 H new ATOM 0 HD13 ILE B 68 0.149 -3.863 -4.548 1.00 14.33 H new ATOM 2885 N LEU B 69 -0.282 1.340 -2.057 1.00 62.21 N ATOM 2886 CA LEU B 69 -1.426 2.188 -1.891 1.00 73.13 C ATOM 2887 C LEU B 69 -1.363 3.398 -2.771 1.00 21.30 C ATOM 2888 O LEU B 69 -0.340 4.084 -2.843 1.00 41.45 O ATOM 2889 CB LEU B 69 -1.794 2.511 -0.420 1.00 42.23 C ATOM 2890 CG LEU B 69 -0.739 3.139 0.497 1.00 35.11 C ATOM 2891 CD1 LEU B 69 -1.394 3.523 1.798 1.00 2.13 C ATOM 2892 CD2 LEU B 69 0.383 2.159 0.795 1.00 33.53 C ATOM 0 H LEU B 69 0.616 1.784 -1.864 1.00 62.21 H new ATOM 0 HA LEU B 69 -2.271 1.592 -2.235 1.00 73.13 H new ATOM 0 HB2 LEU B 69 -2.654 3.181 -0.437 1.00 42.23 H new ATOM 0 HB3 LEU B 69 -2.123 1.582 0.047 1.00 42.23 H new ATOM 0 HG LEU B 69 -0.320 4.011 -0.006 1.00 35.11 H new ATOM 0 HD11 LEU B 69 -0.653 3.971 2.460 1.00 2.13 H new ATOM 0 HD12 LEU B 69 -2.191 4.241 1.606 1.00 2.13 H new ATOM 0 HD13 LEU B 69 -1.812 2.635 2.271 1.00 2.13 H new ATOM 0 HD21 LEU B 69 1.116 2.633 1.448 1.00 33.53 H new ATOM 0 HD22 LEU B 69 -0.026 1.277 1.288 1.00 33.53 H new ATOM 0 HD23 LEU B 69 0.865 1.863 -0.137 1.00 33.53 H new ATOM 2904 N CYS B 70 -2.415 3.629 -3.468 1.00 55.42 N ATOM 2905 CA CYS B 70 -2.498 4.731 -4.359 1.00 31.53 C ATOM 2906 C CYS B 70 -3.609 5.657 -3.913 1.00 43.03 C ATOM 2907 O CYS B 70 -4.717 5.192 -3.610 1.00 1.24 O ATOM 2908 CB CYS B 70 -2.753 4.214 -5.755 1.00 45.03 C ATOM 2909 SG CYS B 70 -1.500 3.042 -6.329 1.00 2.23 S ATOM 0 H CYS B 70 -3.255 3.051 -3.436 1.00 55.42 H new ATOM 0 HA CYS B 70 -1.563 5.292 -4.357 1.00 31.53 H new ATOM 0 HB2 CYS B 70 -3.730 3.732 -5.783 1.00 45.03 H new ATOM 0 HB3 CYS B 70 -2.794 5.057 -6.445 1.00 45.03 H new ATOM 0 HG CYS B 70 -0.316 3.544 -6.138 1.00 2.23 H new ATOM 2915 N ASP B 71 -3.339 6.941 -3.837 1.00 72.32 N ATOM 2916 CA ASP B 71 -4.367 7.863 -3.427 1.00 71.42 C ATOM 2917 C ASP B 71 -4.723 8.758 -4.566 1.00 2.21 C ATOM 2918 O ASP B 71 -3.853 9.201 -5.308 1.00 51.14 O ATOM 2919 CB ASP B 71 -3.946 8.710 -2.222 1.00 30.34 C ATOM 2920 CG ASP B 71 -2.922 9.768 -2.547 1.00 44.14 C ATOM 2921 OD1 ASP B 71 -1.747 9.462 -2.647 1.00 44.21 O ATOM 2922 OD2 ASP B 71 -3.300 10.933 -2.691 1.00 34.22 O ATOM 0 H ASP B 71 -2.434 7.362 -4.049 1.00 72.32 H new ATOM 0 HA ASP B 71 -5.232 7.272 -3.125 1.00 71.42 H new ATOM 0 HB2 ASP B 71 -4.829 9.190 -1.801 1.00 30.34 H new ATOM 0 HB3 ASP B 71 -3.543 8.053 -1.451 1.00 30.34 H new ATOM 2927 N LYS B 72 -5.988 9.003 -4.747 1.00 34.34 N ATOM 2928 CA LYS B 72 -6.392 9.901 -5.774 1.00 45.13 C ATOM 2929 C LYS B 72 -7.158 11.062 -5.145 1.00 72.30 C ATOM 2930 O LYS B 72 -7.789 11.861 -5.832 1.00 72.31 O ATOM 2931 CB LYS B 72 -7.238 9.181 -6.838 1.00 73.52 C ATOM 2932 CG LYS B 72 -7.398 9.989 -8.126 1.00 53.33 C ATOM 2933 CD LYS B 72 -8.332 9.334 -9.129 1.00 72.42 C ATOM 2934 CE LYS B 72 -7.832 7.970 -9.556 1.00 53.35 C ATOM 2935 NZ LYS B 72 -8.685 7.381 -10.591 1.00 3.43 N ATOM 0 H LYS B 72 -6.746 8.595 -4.200 1.00 34.34 H new ATOM 0 HA LYS B 72 -5.510 10.290 -6.282 1.00 45.13 H new ATOM 0 HB2 LYS B 72 -6.776 8.222 -7.073 1.00 73.52 H new ATOM 0 HB3 LYS B 72 -8.224 8.967 -6.426 1.00 73.52 H new ATOM 0 HG2 LYS B 72 -7.776 10.981 -7.881 1.00 53.33 H new ATOM 0 HG3 LYS B 72 -6.419 10.126 -8.586 1.00 53.33 H new ATOM 0 HD2 LYS B 72 -9.325 9.236 -8.691 1.00 72.42 H new ATOM 0 HD3 LYS B 72 -8.432 9.975 -10.005 1.00 72.42 H new ATOM 0 HE2 LYS B 72 -6.812 8.057 -9.931 1.00 53.35 H new ATOM 0 HE3 LYS B 72 -7.798 7.307 -8.691 1.00 53.35 H new ATOM 0 HZ1 LYS B 72 -8.091 6.992 -11.351 1.00 3.43 H new ATOM 0 HZ2 LYS B 72 -9.259 6.620 -10.176 1.00 3.43 H new ATOM 0 HZ3 LYS B 72 -9.312 8.113 -10.982 1.00 3.43 H new ATOM 2949 N PHE B 73 -7.090 11.176 -3.811 1.00 53.52 N ATOM 2950 CA PHE B 73 -7.728 12.309 -3.149 1.00 12.35 C ATOM 2951 C PHE B 73 -6.947 13.571 -3.492 1.00 33.40 C ATOM 2952 O PHE B 73 -7.469 14.675 -3.457 1.00 73.11 O ATOM 2953 CB PHE B 73 -7.874 12.123 -1.608 1.00 11.24 C ATOM 2954 CG PHE B 73 -6.596 12.147 -0.798 1.00 63.13 C ATOM 2955 CD1 PHE B 73 -6.050 13.354 -0.368 1.00 25.41 C ATOM 2956 CD2 PHE B 73 -5.961 10.980 -0.451 1.00 52.42 C ATOM 2957 CE1 PHE B 73 -4.895 13.382 0.386 1.00 24.44 C ATOM 2958 CE2 PHE B 73 -4.802 11.001 0.304 1.00 62.11 C ATOM 2959 CZ PHE B 73 -4.269 12.203 0.722 1.00 51.33 C ATOM 0 H PHE B 73 -6.615 10.519 -3.192 1.00 53.52 H new ATOM 0 HA PHE B 73 -8.750 12.389 -3.519 1.00 12.35 H new ATOM 0 HB2 PHE B 73 -8.531 12.907 -1.231 1.00 11.24 H new ATOM 0 HB3 PHE B 73 -8.375 11.172 -1.426 1.00 11.24 H new ATOM 0 HD1 PHE B 73 -6.538 14.282 -0.629 1.00 25.41 H new ATOM 0 HD2 PHE B 73 -6.372 10.034 -0.772 1.00 52.42 H new ATOM 0 HE1 PHE B 73 -4.483 14.326 0.712 1.00 24.44 H new ATOM 0 HE2 PHE B 73 -4.313 10.074 0.567 1.00 62.11 H new ATOM 0 HZ PHE B 73 -3.364 12.219 1.311 1.00 51.33 H new ATOM 2969 N SER B 74 -5.692 13.364 -3.867 1.00 53.14 N ATOM 2970 CA SER B 74 -4.820 14.425 -4.316 1.00 5.13 C ATOM 2971 C SER B 74 -5.189 14.852 -5.761 1.00 3.05 C ATOM 2972 O SER B 74 -4.500 15.663 -6.370 1.00 55.21 O ATOM 2973 CB SER B 74 -3.359 13.945 -4.275 1.00 41.43 C ATOM 2974 OG SER B 74 -2.988 13.504 -2.968 1.00 44.20 O ATOM 0 H SER B 74 -5.252 12.444 -3.866 1.00 53.14 H new ATOM 0 HA SER B 74 -4.941 15.283 -3.655 1.00 5.13 H new ATOM 0 HB2 SER B 74 -3.223 13.131 -4.987 1.00 41.43 H new ATOM 0 HB3 SER B 74 -2.700 14.755 -4.587 1.00 41.43 H new ATOM 0 HG SER B 74 -3.194 12.551 -2.874 1.00 44.20 H new ATOM 2980 N GLY B 75 -6.263 14.265 -6.306 1.00 43.34 N ATOM 2981 CA GLY B 75 -6.729 14.571 -7.655 1.00 25.44 C ATOM 2982 C GLY B 75 -5.977 13.763 -8.665 1.00 65.34 C ATOM 2983 O GLY B 75 -6.554 13.068 -9.498 1.00 54.32 O ATOM 0 H GLY B 75 -6.828 13.568 -5.822 1.00 43.34 H new ATOM 0 HA2 GLY B 75 -7.796 14.361 -7.734 1.00 25.44 H new ATOM 0 HA3 GLY B 75 -6.597 15.634 -7.859 1.00 25.44 H new ATOM 2987 N HIS B 76 -4.697 13.855 -8.573 1.00 11.25 N ATOM 2988 CA HIS B 76 -3.812 13.066 -9.370 1.00 25.30 C ATOM 2989 C HIS B 76 -3.436 11.872 -8.552 1.00 54.43 C ATOM 2990 O HIS B 76 -2.942 12.025 -7.433 1.00 24.45 O ATOM 2991 CB HIS B 76 -2.572 13.839 -9.824 1.00 65.10 C ATOM 2992 CG HIS B 76 -2.846 14.908 -10.847 1.00 11.42 C ATOM 2993 ND1 HIS B 76 -1.860 15.495 -11.595 1.00 25.31 N ATOM 2994 CD2 HIS B 76 -4.004 15.492 -11.242 1.00 21.23 C ATOM 2995 CE1 HIS B 76 -2.391 16.387 -12.404 1.00 72.00 C ATOM 2996 NE2 HIS B 76 -3.689 16.404 -12.208 1.00 51.11 N ATOM 0 H HIS B 76 -4.223 14.491 -7.932 1.00 11.25 H new ATOM 0 HA HIS B 76 -4.316 12.771 -10.290 1.00 25.30 H new ATOM 0 HB2 HIS B 76 -2.106 14.298 -8.952 1.00 65.10 H new ATOM 0 HB3 HIS B 76 -1.850 13.134 -10.237 1.00 65.10 H new ATOM 0 HD2 HIS B 76 -4.992 15.276 -10.863 1.00 21.23 H new ATOM 0 HE1 HIS B 76 -1.851 17.001 -13.109 1.00 72.00 H new ATOM 0 HE2 HIS B 76 -4.354 17.002 -12.698 1.00 51.11 H new ATOM 3005 N PRO B 77 -3.690 10.674 -9.058 1.00 32.41 N ATOM 3006 CA PRO B 77 -3.450 9.459 -8.312 1.00 55.31 C ATOM 3007 C PRO B 77 -1.963 9.208 -8.098 1.00 1.24 C ATOM 3008 O PRO B 77 -1.178 9.102 -9.058 1.00 13.04 O ATOM 3009 CB PRO B 77 -4.096 8.380 -9.179 1.00 33.34 C ATOM 3010 CG PRO B 77 -4.040 8.925 -10.559 1.00 12.11 C ATOM 3011 CD PRO B 77 -4.208 10.404 -10.412 1.00 13.34 C ATOM 0 HA PRO B 77 -3.864 9.492 -7.304 1.00 55.31 H new ATOM 0 HB2 PRO B 77 -3.557 7.436 -9.104 1.00 33.34 H new ATOM 0 HB3 PRO B 77 -5.123 8.186 -8.871 1.00 33.34 H new ATOM 0 HG2 PRO B 77 -3.091 8.684 -11.038 1.00 12.11 H new ATOM 0 HG3 PRO B 77 -4.828 8.500 -11.181 1.00 12.11 H new ATOM 0 HD2 PRO B 77 -3.649 10.949 -11.172 1.00 13.34 H new ATOM 0 HD3 PRO B 77 -5.252 10.701 -10.509 1.00 13.34 H new ATOM 3019 N LYS B 78 -1.574 9.153 -6.857 1.00 54.43 N ATOM 3020 CA LYS B 78 -0.199 8.945 -6.491 1.00 53.00 C ATOM 3021 C LYS B 78 -0.057 7.564 -5.990 1.00 25.45 C ATOM 3022 O LYS B 78 -1.043 6.931 -5.650 1.00 14.40 O ATOM 3023 CB LYS B 78 0.227 9.877 -5.353 1.00 12.35 C ATOM 3024 CG LYS B 78 -0.099 11.338 -5.548 1.00 72.33 C ATOM 3025 CD LYS B 78 0.737 12.236 -4.621 1.00 74.31 C ATOM 3026 CE LYS B 78 0.666 11.844 -3.137 1.00 43.10 C ATOM 3027 NZ LYS B 78 -0.693 11.916 -2.576 1.00 32.11 N ATOM 0 H LYS B 78 -2.206 9.252 -6.062 1.00 54.43 H new ATOM 0 HA LYS B 78 0.418 9.138 -7.369 1.00 53.00 H new ATOM 0 HB2 LYS B 78 -0.248 9.537 -4.433 1.00 12.35 H new ATOM 0 HB3 LYS B 78 1.303 9.779 -5.211 1.00 12.35 H new ATOM 0 HG2 LYS B 78 0.084 11.616 -6.586 1.00 72.33 H new ATOM 0 HG3 LYS B 78 -1.159 11.503 -5.356 1.00 72.33 H new ATOM 0 HD2 LYS B 78 1.777 12.205 -4.945 1.00 74.31 H new ATOM 0 HD3 LYS B 78 0.400 13.267 -4.730 1.00 74.31 H new ATOM 0 HE2 LYS B 78 1.046 10.829 -3.019 1.00 43.10 H new ATOM 0 HE3 LYS B 78 1.322 12.499 -2.564 1.00 43.10 H new ATOM 0 HZ1 LYS B 78 -0.638 12.129 -1.560 1.00 32.11 H new ATOM 0 HZ2 LYS B 78 -1.229 12.666 -3.059 1.00 32.11 H new ATOM 0 HZ3 LYS B 78 -1.174 11.004 -2.713 1.00 32.11 H new ATOM 3041 N GLY B 79 1.142 7.091 -5.937 1.00 13.24 N ATOM 3042 CA GLY B 79 1.360 5.816 -5.383 1.00 64.31 C ATOM 3043 C GLY B 79 2.512 5.805 -4.431 1.00 1.41 C ATOM 3044 O GLY B 79 3.503 6.540 -4.614 1.00 64.23 O ATOM 0 H GLY B 79 1.977 7.572 -6.271 1.00 13.24 H new ATOM 0 HA2 GLY B 79 0.459 5.488 -4.865 1.00 64.31 H new ATOM 0 HA3 GLY B 79 1.546 5.100 -6.184 1.00 64.31 H new ATOM 3048 N TYR B 80 2.367 5.021 -3.418 1.00 73.13 N ATOM 3049 CA TYR B 80 3.401 4.748 -2.481 1.00 54.24 C ATOM 3050 C TYR B 80 3.221 3.351 -1.962 1.00 52.20 C ATOM 3051 O TYR B 80 2.096 2.880 -1.810 1.00 60.34 O ATOM 3052 CB TYR B 80 3.576 5.840 -1.373 1.00 33.04 C ATOM 3053 CG TYR B 80 2.370 6.197 -0.505 1.00 75.03 C ATOM 3054 CD1 TYR B 80 1.384 7.063 -0.968 1.00 71.21 C ATOM 3055 CD2 TYR B 80 2.251 5.710 0.788 1.00 55.31 C ATOM 3056 CE1 TYR B 80 0.310 7.421 -0.170 1.00 32.11 C ATOM 3057 CE2 TYR B 80 1.180 6.069 1.599 1.00 14.23 C ATOM 3058 CZ TYR B 80 0.214 6.922 1.114 1.00 14.14 C ATOM 3059 OH TYR B 80 -0.855 7.288 1.918 1.00 24.51 O ATOM 0 H TYR B 80 1.494 4.535 -3.213 1.00 73.13 H new ATOM 0 HA TYR B 80 4.360 4.802 -2.996 1.00 54.24 H new ATOM 0 HB2 TYR B 80 4.377 5.514 -0.710 1.00 33.04 H new ATOM 0 HB3 TYR B 80 3.917 6.754 -1.859 1.00 33.04 H new ATOM 0 HD1 TYR B 80 1.458 7.463 -1.968 1.00 71.21 H new ATOM 0 HD2 TYR B 80 3.005 5.039 1.173 1.00 55.31 H new ATOM 0 HE1 TYR B 80 -0.449 8.088 -0.551 1.00 32.11 H new ATOM 0 HE2 TYR B 80 1.106 5.681 2.604 1.00 14.23 H new ATOM 0 HH TYR B 80 -0.548 7.393 2.843 1.00 24.51 H new ATOM 3069 N ALA B 81 4.290 2.675 -1.736 1.00 44.13 N ATOM 3070 CA ALA B 81 4.223 1.294 -1.391 1.00 21.01 C ATOM 3071 C ALA B 81 5.054 1.010 -0.186 1.00 35.11 C ATOM 3072 O ALA B 81 6.090 1.620 0.017 1.00 13.44 O ATOM 3073 CB ALA B 81 4.677 0.437 -2.567 1.00 4.11 C ATOM 0 H ALA B 81 5.234 3.058 -1.784 1.00 44.13 H new ATOM 0 HA ALA B 81 3.188 1.046 -1.155 1.00 21.01 H new ATOM 0 HB1 ALA B 81 4.622 -0.616 -2.292 1.00 4.11 H new ATOM 0 HB2 ALA B 81 4.030 0.623 -3.424 1.00 4.11 H new ATOM 0 HB3 ALA B 81 5.705 0.691 -2.827 1.00 4.11 H new ATOM 3079 N TYR B 82 4.590 0.116 0.619 1.00 0.24 N ATOM 3080 CA TYR B 82 5.303 -0.305 1.774 1.00 51.04 C ATOM 3081 C TYR B 82 5.674 -1.736 1.632 1.00 44.12 C ATOM 3082 O TYR B 82 4.814 -2.612 1.527 1.00 31.44 O ATOM 3083 CB TYR B 82 4.508 -0.038 3.049 1.00 65.51 C ATOM 3084 CG TYR B 82 4.292 1.430 3.256 1.00 0.42 C ATOM 3085 CD1 TYR B 82 5.358 2.238 3.558 1.00 63.44 C ATOM 3086 CD2 TYR B 82 3.052 2.016 3.106 1.00 35.40 C ATOM 3087 CE1 TYR B 82 5.214 3.578 3.718 1.00 52.34 C ATOM 3088 CE2 TYR B 82 2.898 3.378 3.255 1.00 70.50 C ATOM 3089 CZ TYR B 82 3.996 4.149 3.567 1.00 32.24 C ATOM 3090 OH TYR B 82 3.886 5.504 3.697 1.00 42.31 O ATOM 0 H TYR B 82 3.691 -0.349 0.490 1.00 0.24 H new ATOM 0 HA TYR B 82 6.219 0.279 1.860 1.00 51.04 H new ATOM 0 HB2 TYR B 82 3.545 -0.546 2.993 1.00 65.51 H new ATOM 0 HB3 TYR B 82 5.039 -0.454 3.905 1.00 65.51 H new ATOM 0 HD1 TYR B 82 6.337 1.797 3.671 1.00 63.44 H new ATOM 0 HD2 TYR B 82 2.195 1.403 2.870 1.00 35.40 H new ATOM 0 HE1 TYR B 82 6.070 4.188 3.966 1.00 52.34 H new ATOM 0 HE2 TYR B 82 1.928 3.835 3.129 1.00 70.50 H new ATOM 0 HH TYR B 82 3.152 5.715 4.311 1.00 42.31 H new ATOM 3100 N ILE B 83 6.941 -1.974 1.575 1.00 31.23 N ATOM 3101 CA ILE B 83 7.464 -3.299 1.385 1.00 62.21 C ATOM 3102 C ILE B 83 7.903 -3.819 2.755 1.00 4.44 C ATOM 3103 O ILE B 83 8.757 -3.203 3.398 1.00 12.01 O ATOM 3104 CB ILE B 83 8.711 -3.236 0.437 1.00 13.35 C ATOM 3105 CG1 ILE B 83 8.411 -2.431 -0.852 1.00 21.20 C ATOM 3106 CG2 ILE B 83 9.221 -4.617 0.081 1.00 70.23 C ATOM 3107 CD1 ILE B 83 7.290 -2.972 -1.716 1.00 3.40 C ATOM 0 H ILE B 83 7.656 -1.252 1.659 1.00 31.23 H new ATOM 0 HA ILE B 83 6.711 -3.951 0.942 1.00 62.21 H new ATOM 0 HB ILE B 83 9.493 -2.718 0.992 1.00 13.35 H new ATOM 0 HG12 ILE B 83 8.167 -1.407 -0.571 1.00 21.20 H new ATOM 0 HG13 ILE B 83 9.320 -2.388 -1.452 1.00 21.20 H new ATOM 0 HG21 ILE B 83 10.085 -4.527 -0.577 1.00 70.23 H new ATOM 0 HG22 ILE B 83 9.511 -5.144 0.990 1.00 70.23 H new ATOM 0 HG23 ILE B 83 8.435 -5.175 -0.427 1.00 70.23 H new ATOM 0 HD11 ILE B 83 7.164 -2.334 -2.591 1.00 3.40 H new ATOM 0 HD12 ILE B 83 7.535 -3.984 -2.037 1.00 3.40 H new ATOM 0 HD13 ILE B 83 6.363 -2.987 -1.142 1.00 3.40 H new ATOM 3119 N GLU B 84 7.306 -4.898 3.223 1.00 52.44 N ATOM 3120 CA GLU B 84 7.670 -5.443 4.521 1.00 24.12 C ATOM 3121 C GLU B 84 8.685 -6.546 4.360 1.00 13.11 C ATOM 3122 O GLU B 84 8.420 -7.564 3.699 1.00 40.43 O ATOM 3123 CB GLU B 84 6.447 -5.987 5.263 1.00 72.35 C ATOM 3124 CG GLU B 84 5.354 -4.967 5.512 1.00 71.43 C ATOM 3125 CD GLU B 84 4.204 -5.544 6.295 1.00 64.54 C ATOM 3126 OE1 GLU B 84 3.395 -6.267 5.713 1.00 31.32 O ATOM 3127 OE2 GLU B 84 4.099 -5.283 7.508 1.00 52.44 O ATOM 0 H GLU B 84 6.574 -5.412 2.732 1.00 52.44 H new ATOM 0 HA GLU B 84 8.099 -4.631 5.108 1.00 24.12 H new ATOM 0 HB2 GLU B 84 6.029 -6.815 4.690 1.00 72.35 H new ATOM 0 HB3 GLU B 84 6.771 -6.394 6.221 1.00 72.35 H new ATOM 0 HG2 GLU B 84 5.769 -4.117 6.053 1.00 71.43 H new ATOM 0 HG3 GLU B 84 4.988 -4.589 4.557 1.00 71.43 H new ATOM 3134 N PHE B 85 9.834 -6.360 4.937 1.00 31.43 N ATOM 3135 CA PHE B 85 10.867 -7.352 4.878 1.00 25.12 C ATOM 3136 C PHE B 85 10.869 -8.195 6.118 1.00 21.31 C ATOM 3137 O PHE B 85 10.422 -7.769 7.166 1.00 65.53 O ATOM 3138 CB PHE B 85 12.232 -6.714 4.706 1.00 5.11 C ATOM 3139 CG PHE B 85 12.414 -5.975 3.425 1.00 5.41 C ATOM 3140 CD1 PHE B 85 12.804 -6.644 2.280 1.00 54.25 C ATOM 3141 CD2 PHE B 85 12.205 -4.613 3.362 1.00 14.40 C ATOM 3142 CE1 PHE B 85 12.982 -5.968 1.097 1.00 53.03 C ATOM 3143 CE2 PHE B 85 12.382 -3.931 2.185 1.00 23.21 C ATOM 3144 CZ PHE B 85 12.770 -4.610 1.052 1.00 43.03 C ATOM 0 H PHE B 85 10.082 -5.520 5.460 1.00 31.43 H new ATOM 0 HA PHE B 85 10.660 -7.983 4.013 1.00 25.12 H new ATOM 0 HB2 PHE B 85 12.404 -6.027 5.534 1.00 5.11 H new ATOM 0 HB3 PHE B 85 12.993 -7.491 4.773 1.00 5.11 H new ATOM 0 HD1 PHE B 85 12.971 -7.710 2.316 1.00 54.25 H new ATOM 0 HD2 PHE B 85 11.899 -4.078 4.249 1.00 14.40 H new ATOM 0 HE1 PHE B 85 13.287 -6.500 0.208 1.00 53.03 H new ATOM 0 HE2 PHE B 85 12.217 -2.864 2.147 1.00 23.21 H new ATOM 0 HZ PHE B 85 12.908 -4.074 0.125 1.00 43.03 H new ATOM 3154 N ALA B 86 11.353 -9.404 5.977 1.00 73.02 N ATOM 3155 CA ALA B 86 11.487 -10.335 7.083 1.00 71.21 C ATOM 3156 C ALA B 86 12.420 -9.805 8.168 1.00 0.12 C ATOM 3157 O ALA B 86 12.258 -10.125 9.349 1.00 12.40 O ATOM 3158 CB ALA B 86 11.993 -11.675 6.572 1.00 21.24 C ATOM 0 H ALA B 86 11.670 -9.779 5.083 1.00 73.02 H new ATOM 0 HA ALA B 86 10.501 -10.459 7.531 1.00 71.21 H new ATOM 0 HB1 ALA B 86 12.091 -12.369 7.407 1.00 21.24 H new ATOM 0 HB2 ALA B 86 11.287 -12.078 5.846 1.00 21.24 H new ATOM 0 HB3 ALA B 86 12.964 -11.540 6.096 1.00 21.24 H new ATOM 3164 N GLU B 87 13.390 -9.011 7.762 1.00 42.24 N ATOM 3165 CA GLU B 87 14.379 -8.502 8.696 1.00 22.01 C ATOM 3166 C GLU B 87 14.578 -7.005 8.564 1.00 12.00 C ATOM 3167 O GLU B 87 14.317 -6.410 7.514 1.00 64.10 O ATOM 3168 CB GLU B 87 15.726 -9.162 8.424 1.00 15.25 C ATOM 3169 CG GLU B 87 15.755 -10.665 8.514 1.00 43.55 C ATOM 3170 CD GLU B 87 17.079 -11.206 8.047 1.00 74.21 C ATOM 3171 OE1 GLU B 87 17.217 -11.472 6.831 1.00 53.25 O ATOM 3172 OE2 GLU B 87 18.004 -11.351 8.867 1.00 41.42 O ATOM 0 H GLU B 87 13.516 -8.704 6.797 1.00 42.24 H new ATOM 0 HA GLU B 87 14.011 -8.727 9.697 1.00 22.01 H new ATOM 0 HB2 GLU B 87 16.056 -8.871 7.427 1.00 15.25 H new ATOM 0 HB3 GLU B 87 16.454 -8.761 9.130 1.00 15.25 H new ATOM 0 HG2 GLU B 87 15.574 -10.975 9.543 1.00 43.55 H new ATOM 0 HG3 GLU B 87 14.952 -11.085 7.908 1.00 43.55 H new ATOM 3179 N ARG B 88 15.081 -6.424 9.633 1.00 71.21 N ATOM 3180 CA ARG B 88 15.499 -5.041 9.676 1.00 20.33 C ATOM 3181 C ARG B 88 16.722 -4.845 8.810 1.00 74.31 C ATOM 3182 O ARG B 88 16.896 -3.803 8.195 1.00 52.03 O ATOM 3183 CB ARG B 88 15.809 -4.628 11.116 1.00 24.01 C ATOM 3184 CG ARG B 88 14.598 -4.268 11.956 1.00 50.25 C ATOM 3185 CD ARG B 88 14.043 -2.920 11.520 1.00 51.23 C ATOM 3186 NE ARG B 88 15.075 -1.881 11.658 1.00 2.43 N ATOM 3187 CZ ARG B 88 15.061 -0.641 11.152 1.00 34.12 C ATOM 3188 NH1 ARG B 88 13.992 -0.161 10.515 1.00 74.10 N ATOM 3189 NH2 ARG B 88 16.135 0.129 11.309 1.00 30.55 N ATOM 0 H ARG B 88 15.213 -6.914 10.518 1.00 71.21 H new ATOM 0 HA ARG B 88 14.690 -4.417 9.297 1.00 20.33 H new ATOM 0 HB2 ARG B 88 16.342 -5.444 11.605 1.00 24.01 H new ATOM 0 HB3 ARG B 88 16.485 -3.773 11.095 1.00 24.01 H new ATOM 0 HG2 ARG B 88 13.832 -5.036 11.852 1.00 50.25 H new ATOM 0 HG3 ARG B 88 14.874 -4.233 13.010 1.00 50.25 H new ATOM 0 HD2 ARG B 88 13.706 -2.974 10.485 1.00 51.23 H new ATOM 0 HD3 ARG B 88 13.174 -2.663 12.125 1.00 51.23 H new ATOM 0 HE ARG B 88 15.899 -2.135 12.204 1.00 2.43 H new ATOM 0 HH11 ARG B 88 13.161 -0.742 10.405 1.00 74.10 H new ATOM 0 HH12 ARG B 88 14.006 0.787 10.138 1.00 74.10 H new ATOM 0 HH21 ARG B 88 16.950 -0.228 11.808 1.00 30.55 H new ATOM 0 HH22 ARG B 88 16.143 1.076 10.931 1.00 30.55 H new ATOM 3203 N ASN B 89 17.563 -5.859 8.748 1.00 50.11 N ATOM 3204 CA ASN B 89 18.764 -5.785 7.931 1.00 72.11 C ATOM 3205 C ASN B 89 18.428 -5.687 6.463 1.00 43.22 C ATOM 3206 O ASN B 89 19.184 -5.099 5.686 1.00 2.31 O ATOM 3207 CB ASN B 89 19.728 -6.947 8.166 1.00 72.11 C ATOM 3208 CG ASN B 89 20.296 -6.999 9.570 1.00 73.12 C ATOM 3209 OD1 ASN B 89 20.371 -5.983 10.265 1.00 14.33 O ATOM 3210 ND2 ASN B 89 20.761 -8.155 9.971 1.00 45.41 N ATOM 0 H ASN B 89 17.441 -6.739 9.249 1.00 50.11 H new ATOM 0 HA ASN B 89 19.274 -4.874 8.245 1.00 72.11 H new ATOM 0 HB2 ASN B 89 19.210 -7.884 7.959 1.00 72.11 H new ATOM 0 HB3 ASN B 89 20.550 -6.874 7.454 1.00 72.11 H new ATOM 0 HD21 ASN B 89 21.204 -8.237 10.886 1.00 45.41 H new ATOM 0 HD22 ASN B 89 20.681 -8.974 9.368 1.00 45.41 H new ATOM 3217 N SER B 90 17.291 -6.241 6.062 1.00 10.33 N ATOM 3218 CA SER B 90 16.879 -6.176 4.691 1.00 45.33 C ATOM 3219 C SER B 90 16.511 -4.742 4.314 1.00 21.30 C ATOM 3220 O SER B 90 16.806 -4.291 3.211 1.00 0.42 O ATOM 3221 CB SER B 90 15.687 -7.092 4.474 1.00 31.14 C ATOM 3222 OG SER B 90 15.981 -8.428 4.849 1.00 14.21 O ATOM 0 H SER B 90 16.647 -6.738 6.677 1.00 10.33 H new ATOM 0 HA SER B 90 17.704 -6.500 4.057 1.00 45.33 H new ATOM 0 HB2 SER B 90 14.838 -6.729 5.053 1.00 31.14 H new ATOM 0 HB3 SER B 90 15.392 -7.064 3.425 1.00 31.14 H new ATOM 0 HG SER B 90 15.193 -8.991 4.699 1.00 14.21 H new ATOM 3228 N VAL B 91 15.887 -4.013 5.252 1.00 2.51 N ATOM 3229 CA VAL B 91 15.485 -2.641 4.972 1.00 52.24 C ATOM 3230 C VAL B 91 16.722 -1.800 4.775 1.00 60.01 C ATOM 3231 O VAL B 91 16.768 -0.967 3.894 1.00 45.44 O ATOM 3232 CB VAL B 91 14.558 -1.999 6.079 1.00 24.03 C ATOM 3233 CG1 VAL B 91 13.449 -2.925 6.490 1.00 40.32 C ATOM 3234 CG2 VAL B 91 15.290 -1.391 7.284 1.00 72.41 C ATOM 0 H VAL B 91 15.657 -4.347 6.188 1.00 2.51 H new ATOM 0 HA VAL B 91 14.880 -2.667 4.066 1.00 52.24 H new ATOM 0 HB VAL B 91 14.110 -1.136 5.586 1.00 24.03 H new ATOM 0 HG11 VAL B 91 12.837 -2.443 7.252 1.00 40.32 H new ATOM 0 HG12 VAL B 91 12.831 -3.160 5.623 1.00 40.32 H new ATOM 0 HG13 VAL B 91 13.873 -3.845 6.893 1.00 40.32 H new ATOM 0 HG21 VAL B 91 14.561 -0.979 7.982 1.00 72.41 H new ATOM 0 HG22 VAL B 91 15.874 -2.164 7.783 1.00 72.41 H new ATOM 0 HG23 VAL B 91 15.955 -0.598 6.943 1.00 72.41 H new ATOM 3244 N ASP B 92 17.751 -2.079 5.580 1.00 51.24 N ATOM 3245 CA ASP B 92 19.007 -1.344 5.564 1.00 45.14 C ATOM 3246 C ASP B 92 19.679 -1.514 4.199 1.00 72.14 C ATOM 3247 O ASP B 92 20.298 -0.595 3.670 1.00 63.41 O ATOM 3248 CB ASP B 92 19.899 -1.918 6.656 1.00 35.51 C ATOM 3249 CG ASP B 92 20.920 -0.961 7.181 1.00 73.34 C ATOM 3250 OD1 ASP B 92 20.593 -0.180 8.082 1.00 44.23 O ATOM 3251 OD2 ASP B 92 22.068 -0.999 6.740 1.00 72.23 O ATOM 0 H ASP B 92 17.729 -2.832 6.268 1.00 51.24 H new ATOM 0 HA ASP B 92 18.834 -0.282 5.739 1.00 45.14 H new ATOM 0 HB2 ASP B 92 19.272 -2.252 7.483 1.00 35.51 H new ATOM 0 HB3 ASP B 92 20.410 -2.799 6.267 1.00 35.51 H new ATOM 3256 N ALA B 93 19.531 -2.698 3.629 1.00 65.31 N ATOM 3257 CA ALA B 93 20.063 -2.992 2.310 1.00 24.33 C ATOM 3258 C ALA B 93 19.219 -2.320 1.218 1.00 11.21 C ATOM 3259 O ALA B 93 19.752 -1.821 0.227 1.00 41.34 O ATOM 3260 CB ALA B 93 20.133 -4.496 2.087 1.00 40.41 C ATOM 0 H ALA B 93 19.041 -3.479 4.065 1.00 65.31 H new ATOM 0 HA ALA B 93 21.074 -2.588 2.252 1.00 24.33 H new ATOM 0 HB1 ALA B 93 20.534 -4.698 1.094 1.00 40.41 H new ATOM 0 HB2 ALA B 93 20.782 -4.945 2.839 1.00 40.41 H new ATOM 0 HB3 ALA B 93 19.133 -4.923 2.169 1.00 40.41 H new ATOM 3266 N ALA B 94 17.904 -2.299 1.428 1.00 41.21 N ATOM 3267 CA ALA B 94 16.956 -1.758 0.449 1.00 42.12 C ATOM 3268 C ALA B 94 17.034 -0.242 0.371 1.00 51.32 C ATOM 3269 O ALA B 94 17.048 0.330 -0.713 1.00 41.34 O ATOM 3270 CB ALA B 94 15.542 -2.194 0.789 1.00 41.12 C ATOM 0 H ALA B 94 17.465 -2.654 2.277 1.00 41.21 H new ATOM 0 HA ALA B 94 17.228 -2.155 -0.529 1.00 42.12 H new ATOM 0 HB1 ALA B 94 14.849 -1.785 0.054 1.00 41.12 H new ATOM 0 HB2 ALA B 94 15.484 -3.282 0.777 1.00 41.12 H new ATOM 0 HB3 ALA B 94 15.277 -1.828 1.781 1.00 41.12 H new ATOM 3276 N VAL B 95 17.076 0.400 1.534 1.00 45.45 N ATOM 3277 CA VAL B 95 17.192 1.868 1.644 1.00 24.52 C ATOM 3278 C VAL B 95 18.394 2.437 0.883 1.00 44.53 C ATOM 3279 O VAL B 95 18.407 3.607 0.528 1.00 52.01 O ATOM 3280 CB VAL B 95 17.164 2.385 3.104 1.00 14.21 C ATOM 3281 CG1 VAL B 95 15.886 1.952 3.789 1.00 22.40 C ATOM 3282 CG2 VAL B 95 18.384 1.940 3.893 1.00 42.24 C ATOM 0 H VAL B 95 17.031 -0.076 2.435 1.00 45.45 H new ATOM 0 HA VAL B 95 16.292 2.246 1.158 1.00 24.52 H new ATOM 0 HB VAL B 95 17.192 3.474 3.069 1.00 14.21 H new ATOM 0 HG11 VAL B 95 15.879 2.322 4.814 1.00 22.40 H new ATOM 0 HG12 VAL B 95 15.029 2.358 3.251 1.00 22.40 H new ATOM 0 HG13 VAL B 95 15.828 0.864 3.796 1.00 22.40 H new ATOM 0 HG21 VAL B 95 18.320 2.326 4.910 1.00 42.24 H new ATOM 0 HG22 VAL B 95 18.422 0.851 3.920 1.00 42.24 H new ATOM 0 HG23 VAL B 95 19.286 2.323 3.415 1.00 42.24 H new ATOM 3292 N ALA B 96 19.388 1.593 0.625 1.00 63.13 N ATOM 3293 CA ALA B 96 20.574 1.990 -0.134 1.00 11.12 C ATOM 3294 C ALA B 96 20.219 2.249 -1.611 1.00 42.54 C ATOM 3295 O ALA B 96 21.014 2.807 -2.368 1.00 63.13 O ATOM 3296 CB ALA B 96 21.646 0.922 -0.035 1.00 3.41 C ATOM 0 H ALA B 96 19.397 0.621 0.933 1.00 63.13 H new ATOM 0 HA ALA B 96 20.957 2.916 0.295 1.00 11.12 H new ATOM 0 HB1 ALA B 96 22.522 1.232 -0.605 1.00 3.41 H new ATOM 0 HB2 ALA B 96 21.924 0.781 1.010 1.00 3.41 H new ATOM 0 HB3 ALA B 96 21.264 -0.016 -0.439 1.00 3.41 H new ATOM 3302 N MET B 97 19.022 1.839 -2.005 1.00 54.20 N ATOM 3303 CA MET B 97 18.542 2.033 -3.372 1.00 32.54 C ATOM 3304 C MET B 97 17.607 3.231 -3.449 1.00 31.21 C ATOM 3305 O MET B 97 16.933 3.423 -4.457 1.00 21.30 O ATOM 3306 CB MET B 97 17.766 0.806 -3.878 1.00 52.01 C ATOM 3307 CG MET B 97 18.532 -0.500 -3.911 1.00 30.22 C ATOM 3308 SD MET B 97 17.575 -1.831 -4.694 1.00 11.23 S ATOM 3309 CE MET B 97 16.090 -1.868 -3.678 1.00 23.31 C ATOM 0 H MET B 97 18.357 1.365 -1.393 1.00 54.20 H new ATOM 0 HA MET B 97 19.424 2.193 -3.992 1.00 32.54 H new ATOM 0 HB2 MET B 97 16.887 0.672 -3.248 1.00 52.01 H new ATOM 0 HB3 MET B 97 17.407 1.019 -4.885 1.00 52.01 H new ATOM 0 HG2 MET B 97 19.467 -0.358 -4.453 1.00 30.22 H new ATOM 0 HG3 MET B 97 18.794 -0.792 -2.894 1.00 30.22 H new ATOM 0 HE1 MET B 97 15.648 -2.864 -3.716 1.00 23.31 H new ATOM 0 HE2 MET B 97 16.348 -1.625 -2.647 1.00 23.31 H new ATOM 0 HE3 MET B 97 15.373 -1.138 -4.054 1.00 23.31 H new ATOM 3319 N ASP B 98 17.531 4.003 -2.379 1.00 62.14 N ATOM 3320 CA ASP B 98 16.634 5.169 -2.303 1.00 52.12 C ATOM 3321 C ASP B 98 16.660 6.102 -3.516 1.00 53.33 C ATOM 3322 O ASP B 98 15.654 6.684 -3.818 1.00 51.53 O ATOM 3323 CB ASP B 98 16.835 5.980 -1.016 1.00 60.54 C ATOM 3324 CG ASP B 98 18.031 6.901 -1.028 1.00 14.12 C ATOM 3325 OD1 ASP B 98 19.176 6.435 -0.923 1.00 31.34 O ATOM 3326 OD2 ASP B 98 17.823 8.126 -1.126 1.00 70.32 O ATOM 0 H ASP B 98 18.083 3.850 -1.535 1.00 62.14 H new ATOM 0 HA ASP B 98 15.643 4.715 -2.296 1.00 52.12 H new ATOM 0 HB2 ASP B 98 15.939 6.573 -0.834 1.00 60.54 H new ATOM 0 HB3 ASP B 98 16.935 5.288 -0.179 1.00 60.54 H new ATOM 3331 N GLU B 99 17.793 6.296 -4.173 1.00 63.12 N ATOM 3332 CA GLU B 99 17.828 7.169 -5.342 1.00 24.51 C ATOM 3333 C GLU B 99 17.804 6.349 -6.692 1.00 4.02 C ATOM 3334 O GLU B 99 18.317 6.810 -7.719 1.00 30.22 O ATOM 3335 CB GLU B 99 19.117 8.017 -5.231 1.00 74.32 C ATOM 3336 CG GLU B 99 19.211 9.208 -6.174 1.00 54.23 C ATOM 3337 CD GLU B 99 18.139 10.235 -5.916 1.00 53.14 C ATOM 3338 OE1 GLU B 99 18.359 11.143 -5.087 1.00 13.42 O ATOM 3339 OE2 GLU B 99 17.066 10.156 -6.537 1.00 3.15 O ATOM 0 H GLU B 99 18.686 5.871 -3.925 1.00 63.12 H new ATOM 0 HA GLU B 99 16.942 7.804 -5.362 1.00 24.51 H new ATOM 0 HB2 GLU B 99 19.203 8.381 -4.207 1.00 74.32 H new ATOM 0 HB3 GLU B 99 19.973 7.367 -5.411 1.00 74.32 H new ATOM 0 HG2 GLU B 99 20.190 9.675 -6.068 1.00 54.23 H new ATOM 0 HG3 GLU B 99 19.135 8.859 -7.204 1.00 54.23 H new ATOM 3346 N THR B 100 17.182 5.173 -6.699 1.00 63.15 N ATOM 3347 CA THR B 100 17.121 4.368 -7.933 1.00 14.32 C ATOM 3348 C THR B 100 15.894 4.721 -8.784 1.00 22.21 C ATOM 3349 O THR B 100 14.913 5.287 -8.280 1.00 73.12 O ATOM 3350 CB THR B 100 17.163 2.829 -7.666 1.00 31.52 C ATOM 3351 OG1 THR B 100 16.119 2.422 -6.742 1.00 63.43 O ATOM 3352 CG2 THR B 100 18.525 2.404 -7.133 1.00 4.11 C ATOM 0 H THR B 100 16.721 4.757 -5.890 1.00 63.15 H new ATOM 0 HA THR B 100 18.021 4.625 -8.491 1.00 14.32 H new ATOM 0 HB THR B 100 16.989 2.331 -8.620 1.00 31.52 H new ATOM 0 HG1 THR B 100 16.347 2.723 -5.838 1.00 63.43 H new ATOM 0 HG21 THR B 100 18.527 1.329 -6.956 1.00 4.11 H new ATOM 0 HG22 THR B 100 19.295 2.653 -7.863 1.00 4.11 H new ATOM 0 HG23 THR B 100 18.729 2.926 -6.198 1.00 4.11 H new ATOM 3360 N VAL B 101 15.940 4.381 -10.058 1.00 74.21 N ATOM 3361 CA VAL B 101 14.839 4.676 -10.953 1.00 71.14 C ATOM 3362 C VAL B 101 13.947 3.441 -11.088 1.00 54.24 C ATOM 3363 O VAL B 101 14.440 2.305 -11.139 1.00 34.13 O ATOM 3364 CB VAL B 101 15.338 5.178 -12.349 1.00 1.42 C ATOM 3365 CG1 VAL B 101 16.134 4.123 -13.090 1.00 10.34 C ATOM 3366 CG2 VAL B 101 14.199 5.699 -13.200 1.00 2.53 C ATOM 0 H VAL B 101 16.727 3.901 -10.495 1.00 74.21 H new ATOM 0 HA VAL B 101 14.255 5.491 -10.525 1.00 71.14 H new ATOM 0 HB VAL B 101 16.013 6.011 -12.152 1.00 1.42 H new ATOM 0 HG11 VAL B 101 16.457 4.520 -14.052 1.00 10.34 H new ATOM 0 HG12 VAL B 101 17.007 3.845 -12.500 1.00 10.34 H new ATOM 0 HG13 VAL B 101 15.511 3.244 -13.252 1.00 10.34 H new ATOM 0 HG21 VAL B 101 14.588 6.038 -14.160 1.00 2.53 H new ATOM 0 HG22 VAL B 101 13.473 4.903 -13.363 1.00 2.53 H new ATOM 0 HG23 VAL B 101 13.716 6.532 -12.690 1.00 2.53 H new ATOM 3376 N PHE B 102 12.659 3.647 -11.107 1.00 32.53 N ATOM 3377 CA PHE B 102 11.727 2.564 -11.152 1.00 4.24 C ATOM 3378 C PHE B 102 10.587 2.919 -12.118 1.00 24.23 C ATOM 3379 O PHE B 102 9.923 3.948 -11.955 1.00 73.21 O ATOM 3380 CB PHE B 102 11.185 2.375 -9.741 1.00 21.10 C ATOM 3381 CG PHE B 102 10.464 1.102 -9.486 1.00 45.33 C ATOM 3382 CD1 PHE B 102 9.178 0.905 -9.931 1.00 64.00 C ATOM 3383 CD2 PHE B 102 11.084 0.098 -8.772 1.00 71.34 C ATOM 3384 CE1 PHE B 102 8.528 -0.273 -9.674 1.00 62.20 C ATOM 3385 CE2 PHE B 102 10.441 -1.079 -8.512 1.00 73.03 C ATOM 3386 CZ PHE B 102 9.159 -1.267 -8.964 1.00 62.31 C ATOM 0 H PHE B 102 12.230 4.572 -11.092 1.00 32.53 H new ATOM 0 HA PHE B 102 12.200 1.646 -11.501 1.00 4.24 H new ATOM 0 HB2 PHE B 102 12.018 2.445 -9.041 1.00 21.10 H new ATOM 0 HB3 PHE B 102 10.511 3.202 -9.518 1.00 21.10 H new ATOM 0 HD1 PHE B 102 8.677 1.684 -10.487 1.00 64.00 H new ATOM 0 HD2 PHE B 102 12.092 0.244 -8.413 1.00 71.34 H new ATOM 0 HE1 PHE B 102 7.519 -0.421 -10.029 1.00 62.20 H new ATOM 0 HE2 PHE B 102 10.939 -1.858 -7.953 1.00 73.03 H new ATOM 0 HZ PHE B 102 8.646 -2.196 -8.762 1.00 62.31 H new ATOM 3396 N ARG B 103 10.389 2.074 -13.119 1.00 51.14 N ATOM 3397 CA ARG B 103 9.353 2.216 -14.164 1.00 52.01 C ATOM 3398 C ARG B 103 9.450 3.604 -14.874 1.00 2.33 C ATOM 3399 O ARG B 103 8.465 4.155 -15.373 1.00 25.23 O ATOM 3400 CB ARG B 103 7.950 1.974 -13.555 1.00 41.33 C ATOM 3401 CG ARG B 103 6.858 1.759 -14.600 1.00 5.54 C ATOM 3402 CD ARG B 103 5.497 1.505 -13.978 1.00 5.44 C ATOM 3403 NE ARG B 103 4.996 2.655 -13.224 1.00 74.32 N ATOM 3404 CZ ARG B 103 4.188 3.597 -13.738 1.00 72.05 C ATOM 3405 NH1 ARG B 103 3.906 3.600 -15.024 1.00 64.13 N ATOM 3406 NH2 ARG B 103 3.684 4.534 -12.974 1.00 3.05 N ATOM 0 H ARG B 103 10.959 1.237 -13.242 1.00 51.14 H new ATOM 0 HA ARG B 103 9.523 1.460 -14.931 1.00 52.01 H new ATOM 0 HB2 ARG B 103 7.992 1.103 -12.902 1.00 41.33 H new ATOM 0 HB3 ARG B 103 7.682 2.827 -12.932 1.00 41.33 H new ATOM 0 HG2 ARG B 103 6.800 2.635 -15.246 1.00 5.54 H new ATOM 0 HG3 ARG B 103 7.128 0.914 -15.233 1.00 5.54 H new ATOM 0 HD2 ARG B 103 4.785 1.253 -14.764 1.00 5.44 H new ATOM 0 HD3 ARG B 103 5.560 0.641 -13.316 1.00 5.44 H new ATOM 0 HE ARG B 103 5.278 2.747 -12.248 1.00 74.32 H new ATOM 0 HH11 ARG B 103 4.302 2.885 -15.635 1.00 64.13 H new ATOM 0 HH12 ARG B 103 3.292 4.317 -15.410 1.00 64.13 H new ATOM 0 HH21 ARG B 103 3.904 4.553 -11.978 1.00 3.05 H new ATOM 0 HH22 ARG B 103 3.072 5.244 -13.375 1.00 3.05 H new ATOM 3420 N GLY B 104 10.657 4.090 -14.974 1.00 4.41 N ATOM 3421 CA GLY B 104 10.927 5.318 -15.688 1.00 41.21 C ATOM 3422 C GLY B 104 11.037 6.553 -14.810 1.00 14.12 C ATOM 3423 O GLY B 104 11.426 7.618 -15.291 1.00 0.53 O ATOM 0 H GLY B 104 11.482 3.651 -14.566 1.00 4.41 H new ATOM 0 HA2 GLY B 104 11.857 5.201 -16.245 1.00 41.21 H new ATOM 0 HA3 GLY B 104 10.135 5.478 -16.419 1.00 41.21 H new ATOM 3427 N ARG B 105 10.732 6.431 -13.537 1.00 64.24 N ATOM 3428 CA ARG B 105 10.788 7.584 -12.649 1.00 4.31 C ATOM 3429 C ARG B 105 11.523 7.227 -11.373 1.00 21.25 C ATOM 3430 O ARG B 105 11.556 6.071 -10.983 1.00 73.41 O ATOM 3431 CB ARG B 105 9.380 8.150 -12.378 1.00 32.04 C ATOM 3432 CG ARG B 105 8.405 7.200 -11.696 1.00 73.14 C ATOM 3433 CD ARG B 105 7.009 7.811 -11.644 1.00 52.32 C ATOM 3434 NE ARG B 105 6.472 8.021 -13.000 1.00 52.13 N ATOM 3435 CZ ARG B 105 5.386 8.737 -13.322 1.00 14.04 C ATOM 3436 NH1 ARG B 105 4.679 9.365 -12.389 1.00 2.41 N ATOM 3437 NH2 ARG B 105 5.013 8.811 -14.589 1.00 74.23 N ATOM 0 H ARG B 105 10.445 5.559 -13.092 1.00 64.24 H new ATOM 0 HA ARG B 105 11.350 8.378 -13.140 1.00 4.31 H new ATOM 0 HB2 ARG B 105 9.480 9.043 -11.761 1.00 32.04 H new ATOM 0 HB3 ARG B 105 8.947 8.466 -13.327 1.00 32.04 H new ATOM 0 HG2 ARG B 105 8.374 6.253 -12.235 1.00 73.14 H new ATOM 0 HG3 ARG B 105 8.750 6.980 -10.686 1.00 73.14 H new ATOM 0 HD2 ARG B 105 6.343 7.156 -11.083 1.00 52.32 H new ATOM 0 HD3 ARG B 105 7.044 8.762 -11.112 1.00 52.32 H new ATOM 0 HE ARG B 105 6.976 7.578 -13.768 1.00 52.13 H new ATOM 0 HH11 ARG B 105 4.960 9.306 -11.410 1.00 2.41 H new ATOM 0 HH12 ARG B 105 3.855 9.906 -12.651 1.00 2.41 H new ATOM 0 HH21 ARG B 105 5.550 8.326 -15.308 1.00 74.23 H new ATOM 0 HH22 ARG B 105 4.188 9.353 -14.847 1.00 74.23 H new ATOM 3451 N THR B 106 12.107 8.192 -10.745 1.00 15.43 N ATOM 3452 CA THR B 106 12.921 7.946 -9.585 1.00 3.54 C ATOM 3453 C THR B 106 12.058 7.706 -8.353 1.00 2.33 C ATOM 3454 O THR B 106 11.200 8.506 -8.033 1.00 34.23 O ATOM 3455 CB THR B 106 13.860 9.124 -9.326 1.00 20.13 C ATOM 3456 OG1 THR B 106 14.649 9.379 -10.505 1.00 34.32 O ATOM 3457 CG2 THR B 106 14.784 8.812 -8.167 1.00 52.40 C ATOM 0 H THR B 106 12.039 9.173 -11.014 1.00 15.43 H new ATOM 0 HA THR B 106 13.512 7.051 -9.781 1.00 3.54 H new ATOM 0 HB THR B 106 13.263 10.003 -9.082 1.00 20.13 H new ATOM 0 HG1 THR B 106 15.250 10.135 -10.339 1.00 34.32 H new ATOM 0 HG21 THR B 106 15.448 9.659 -7.993 1.00 52.40 H new ATOM 0 HG22 THR B 106 14.193 8.624 -7.271 1.00 52.40 H new ATOM 0 HG23 THR B 106 15.377 7.928 -8.402 1.00 52.40 H new ATOM 3465 N ILE B 107 12.279 6.616 -7.680 1.00 44.51 N ATOM 3466 CA ILE B 107 11.531 6.332 -6.492 1.00 53.33 C ATOM 3467 C ILE B 107 12.344 6.610 -5.258 1.00 71.04 C ATOM 3468 O ILE B 107 13.511 6.950 -5.355 1.00 42.42 O ATOM 3469 CB ILE B 107 10.882 4.895 -6.488 1.00 43.51 C ATOM 3470 CG1 ILE B 107 11.902 3.731 -6.676 1.00 63.32 C ATOM 3471 CG2 ILE B 107 9.788 4.815 -7.540 1.00 31.23 C ATOM 3472 CD1 ILE B 107 12.802 3.420 -5.491 1.00 45.33 C ATOM 0 H ILE B 107 12.970 5.910 -7.933 1.00 44.51 H new ATOM 0 HA ILE B 107 10.684 7.019 -6.484 1.00 53.33 H new ATOM 0 HB ILE B 107 10.460 4.758 -5.493 1.00 43.51 H new ATOM 0 HG12 ILE B 107 11.346 2.828 -6.929 1.00 63.32 H new ATOM 0 HG13 ILE B 107 12.534 3.966 -7.532 1.00 63.32 H new ATOM 0 HG21 ILE B 107 9.346 3.819 -7.530 1.00 31.23 H new ATOM 0 HG22 ILE B 107 9.019 5.556 -7.322 1.00 31.23 H new ATOM 0 HG23 ILE B 107 10.214 5.013 -8.524 1.00 31.23 H new ATOM 0 HD11 ILE B 107 13.465 2.593 -5.745 1.00 45.33 H new ATOM 0 HD12 ILE B 107 13.397 4.300 -5.245 1.00 45.33 H new ATOM 0 HD13 ILE B 107 12.190 3.144 -4.632 1.00 45.33 H new ATOM 3484 N LYS B 108 11.714 6.529 -4.127 1.00 65.14 N ATOM 3485 CA LYS B 108 12.354 6.806 -2.866 1.00 1.30 C ATOM 3486 C LYS B 108 12.079 5.664 -1.925 1.00 44.34 C ATOM 3487 O LYS B 108 10.944 5.236 -1.819 1.00 1.23 O ATOM 3488 CB LYS B 108 11.795 8.120 -2.261 1.00 41.05 C ATOM 3489 CG LYS B 108 12.354 8.489 -0.876 1.00 52.42 C ATOM 3490 CD LYS B 108 13.845 8.755 -0.925 1.00 1.42 C ATOM 3491 CE LYS B 108 14.418 9.065 0.452 1.00 34.13 C ATOM 3492 NZ LYS B 108 15.853 9.441 0.378 1.00 30.11 N ATOM 0 H LYS B 108 10.732 6.267 -4.046 1.00 65.14 H new ATOM 0 HA LYS B 108 13.427 6.919 -3.018 1.00 1.30 H new ATOM 0 HB2 LYS B 108 12.005 8.938 -2.950 1.00 41.05 H new ATOM 0 HB3 LYS B 108 10.711 8.036 -2.188 1.00 41.05 H new ATOM 0 HG2 LYS B 108 11.839 9.373 -0.500 1.00 52.42 H new ATOM 0 HG3 LYS B 108 12.152 7.679 -0.175 1.00 52.42 H new ATOM 0 HD2 LYS B 108 14.354 7.886 -1.342 1.00 1.42 H new ATOM 0 HD3 LYS B 108 14.042 9.592 -1.596 1.00 1.42 H new ATOM 0 HE2 LYS B 108 13.852 9.878 0.907 1.00 34.13 H new ATOM 0 HE3 LYS B 108 14.303 8.195 1.098 1.00 34.13 H new ATOM 0 HZ1 LYS B 108 16.281 9.364 1.323 1.00 30.11 H new ATOM 0 HZ2 LYS B 108 16.346 8.802 -0.278 1.00 30.11 H new ATOM 0 HZ3 LYS B 108 15.938 10.420 0.038 1.00 30.11 H new ATOM 3506 N VAL B 109 13.099 5.175 -1.258 1.00 70.40 N ATOM 3507 CA VAL B 109 12.916 4.152 -0.265 1.00 43.12 C ATOM 3508 C VAL B 109 13.566 4.570 1.051 1.00 61.04 C ATOM 3509 O VAL B 109 14.734 4.959 1.100 1.00 72.44 O ATOM 3510 CB VAL B 109 13.252 2.695 -0.716 1.00 24.54 C ATOM 3511 CG1 VAL B 109 14.642 2.550 -1.259 1.00 3.21 C ATOM 3512 CG2 VAL B 109 12.990 1.709 0.410 1.00 30.31 C ATOM 0 H VAL B 109 14.066 5.473 -1.389 1.00 70.40 H new ATOM 0 HA VAL B 109 11.841 4.078 -0.101 1.00 43.12 H new ATOM 0 HB VAL B 109 12.583 2.463 -1.544 1.00 24.54 H new ATOM 0 HG11 VAL B 109 14.811 1.514 -1.554 1.00 3.21 H new ATOM 0 HG12 VAL B 109 14.763 3.199 -2.126 1.00 3.21 H new ATOM 0 HG13 VAL B 109 15.363 2.831 -0.492 1.00 3.21 H new ATOM 0 HG21 VAL B 109 13.231 0.700 0.074 1.00 30.31 H new ATOM 0 HG22 VAL B 109 13.612 1.963 1.268 1.00 30.31 H new ATOM 0 HG23 VAL B 109 11.939 1.755 0.697 1.00 30.31 H new ATOM 3522 N LEU B 110 12.791 4.516 2.075 1.00 23.03 N ATOM 3523 CA LEU B 110 13.099 5.076 3.369 1.00 3.30 C ATOM 3524 C LEU B 110 12.519 4.090 4.406 1.00 33.05 C ATOM 3525 O LEU B 110 11.427 3.596 4.206 1.00 72.45 O ATOM 3526 CB LEU B 110 12.316 6.406 3.293 1.00 72.44 C ATOM 3527 CG LEU B 110 12.180 7.462 4.387 1.00 2.44 C ATOM 3528 CD1 LEU B 110 11.068 8.386 3.957 1.00 1.12 C ATOM 3529 CD2 LEU B 110 11.908 6.915 5.762 1.00 41.44 C ATOM 0 H LEU B 110 11.878 4.061 2.046 1.00 23.03 H new ATOM 0 HA LEU B 110 14.145 5.234 3.631 1.00 3.30 H new ATOM 0 HB2 LEU B 110 12.728 6.934 2.433 1.00 72.44 H new ATOM 0 HB3 LEU B 110 11.295 6.125 3.036 1.00 72.44 H new ATOM 0 HG LEU B 110 13.137 7.973 4.488 1.00 2.44 H new ATOM 0 HD11 LEU B 110 10.930 9.163 4.709 1.00 1.12 H new ATOM 0 HD12 LEU B 110 11.325 8.846 3.003 1.00 1.12 H new ATOM 0 HD13 LEU B 110 10.144 7.818 3.848 1.00 1.12 H new ATOM 0 HD21 LEU B 110 11.827 7.738 6.472 1.00 41.44 H new ATOM 0 HD22 LEU B 110 10.975 6.352 5.752 1.00 41.44 H new ATOM 0 HD23 LEU B 110 12.725 6.258 6.060 1.00 41.44 H new ATOM 3541 N PRO B 111 13.242 3.769 5.496 1.00 72.15 N ATOM 3542 CA PRO B 111 12.763 2.800 6.479 1.00 3.23 C ATOM 3543 C PRO B 111 11.640 3.359 7.372 1.00 31.43 C ATOM 3544 O PRO B 111 11.708 4.501 7.859 1.00 31.11 O ATOM 3545 CB PRO B 111 14.010 2.462 7.287 1.00 65.41 C ATOM 3546 CG PRO B 111 14.886 3.662 7.177 1.00 62.53 C ATOM 3547 CD PRO B 111 14.562 4.323 5.863 1.00 35.11 C ATOM 0 HA PRO B 111 12.311 1.928 6.005 1.00 3.23 H new ATOM 0 HB2 PRO B 111 13.760 2.251 8.327 1.00 65.41 H new ATOM 0 HB3 PRO B 111 14.506 1.575 6.893 1.00 65.41 H new ATOM 0 HG2 PRO B 111 14.709 4.346 8.007 1.00 62.53 H new ATOM 0 HG3 PRO B 111 15.937 3.377 7.217 1.00 62.53 H new ATOM 0 HD2 PRO B 111 14.526 5.408 5.961 1.00 35.11 H new ATOM 0 HD3 PRO B 111 15.314 4.096 5.107 1.00 35.11 H new ATOM 3555 N LYS B 112 10.634 2.551 7.589 1.00 23.10 N ATOM 3556 CA LYS B 112 9.476 2.945 8.333 1.00 32.13 C ATOM 3557 C LYS B 112 9.642 2.577 9.803 1.00 73.43 C ATOM 3558 O LYS B 112 10.331 1.599 10.117 1.00 23.02 O ATOM 3559 CB LYS B 112 8.282 2.228 7.770 1.00 55.52 C ATOM 3560 CG LYS B 112 7.008 2.824 8.236 1.00 12.43 C ATOM 3561 CD LYS B 112 5.843 2.142 7.636 1.00 71.23 C ATOM 3562 CE LYS B 112 4.597 2.881 7.979 1.00 15.25 C ATOM 3563 NZ LYS B 112 4.371 2.980 9.434 1.00 0.30 N ATOM 0 H LYS B 112 10.600 1.590 7.248 1.00 23.10 H new ATOM 0 HA LYS B 112 9.343 4.024 8.257 1.00 32.13 H new ATOM 0 HB2 LYS B 112 8.320 2.259 6.681 1.00 55.52 H new ATOM 0 HB3 LYS B 112 8.319 1.178 8.060 1.00 55.52 H new ATOM 0 HG2 LYS B 112 6.950 2.759 9.322 1.00 12.43 H new ATOM 0 HG3 LYS B 112 6.984 3.883 7.978 1.00 12.43 H new ATOM 0 HD2 LYS B 112 5.959 2.088 6.554 1.00 71.23 H new ATOM 0 HD3 LYS B 112 5.782 1.117 8.002 1.00 71.23 H new ATOM 0 HE2 LYS B 112 4.647 3.884 7.555 1.00 15.25 H new ATOM 0 HE3 LYS B 112 3.745 2.382 7.517 1.00 15.25 H new ATOM 0 HZ1 LYS B 112 3.929 3.895 9.655 1.00 0.30 H new ATOM 0 HZ2 LYS B 112 3.743 2.210 9.741 1.00 0.30 H new ATOM 0 HZ3 LYS B 112 5.281 2.905 9.933 1.00 0.30 H new ATOM 3577 N ARG B 113 9.074 3.417 10.705 1.00 42.41 N ATOM 3578 CA ARG B 113 9.059 3.169 12.176 1.00 73.11 C ATOM 3579 C ARG B 113 10.486 2.946 12.688 1.00 54.31 C ATOM 3580 O ARG B 113 10.734 2.234 13.668 1.00 3.53 O ATOM 3581 CB ARG B 113 8.175 1.941 12.482 1.00 42.14 C ATOM 3582 CG ARG B 113 7.936 1.646 13.965 1.00 44.54 C ATOM 3583 CD ARG B 113 7.171 2.763 14.638 1.00 70.51 C ATOM 3584 NE ARG B 113 7.038 2.546 16.077 1.00 43.13 N ATOM 3585 CZ ARG B 113 5.921 2.744 16.786 1.00 70.41 C ATOM 3586 NH1 ARG B 113 4.762 3.014 16.174 1.00 32.33 N ATOM 3587 NH2 ARG B 113 5.958 2.647 18.104 1.00 23.30 N ATOM 0 H ARG B 113 8.613 4.286 10.437 1.00 42.41 H new ATOM 0 HA ARG B 113 8.645 4.039 12.686 1.00 73.11 H new ATOM 0 HB2 ARG B 113 7.208 2.083 11.999 1.00 42.14 H new ATOM 0 HB3 ARG B 113 8.634 1.064 12.026 1.00 42.14 H new ATOM 0 HG2 ARG B 113 7.382 0.713 14.066 1.00 44.54 H new ATOM 0 HG3 ARG B 113 8.893 1.505 14.467 1.00 44.54 H new ATOM 0 HD2 ARG B 113 7.680 3.710 14.460 1.00 70.51 H new ATOM 0 HD3 ARG B 113 6.180 2.845 14.191 1.00 70.51 H new ATOM 0 HE ARG B 113 7.862 2.218 16.581 1.00 43.13 H new ATOM 0 HH11 ARG B 113 4.724 3.071 15.156 1.00 32.33 H new ATOM 0 HH12 ARG B 113 3.917 3.163 16.725 1.00 32.33 H new ATOM 0 HH21 ARG B 113 6.835 2.422 18.574 1.00 23.30 H new ATOM 0 HH22 ARG B 113 5.110 2.797 18.650 1.00 23.30 H new ATOM 3601 N THR B 114 11.410 3.595 12.071 1.00 24.43 N ATOM 3602 CA THR B 114 12.754 3.395 12.404 1.00 64.02 C ATOM 3603 C THR B 114 13.173 4.155 13.645 1.00 62.24 C ATOM 3604 O THR B 114 13.611 5.307 13.597 1.00 10.25 O ATOM 3605 CB THR B 114 13.677 3.614 11.208 1.00 71.44 C ATOM 3606 OG1 THR B 114 13.291 2.667 10.203 1.00 1.23 O ATOM 3607 CG2 THR B 114 15.142 3.385 11.577 1.00 13.12 C ATOM 0 H THR B 114 11.245 4.273 11.327 1.00 24.43 H new ATOM 0 HA THR B 114 12.860 2.344 12.673 1.00 64.02 H new ATOM 0 HB THR B 114 13.585 4.642 10.859 1.00 71.44 H new ATOM 0 HG1 THR B 114 12.544 2.125 10.534 1.00 1.23 H new ATOM 0 HG21 THR B 114 15.768 3.550 10.700 1.00 13.12 H new ATOM 0 HG22 THR B 114 15.431 4.080 12.366 1.00 13.12 H new ATOM 0 HG23 THR B 114 15.273 2.362 11.929 1.00 13.12 H new ATOM 3615 N ASN B 115 12.910 3.533 14.750 1.00 64.02 N ATOM 3616 CA ASN B 115 13.409 3.945 16.007 1.00 63.33 C ATOM 3617 C ASN B 115 14.428 2.904 16.342 1.00 41.33 C ATOM 3618 O ASN B 115 14.102 1.833 16.833 1.00 23.35 O ATOM 3619 CB ASN B 115 12.300 4.001 17.063 1.00 25.33 C ATOM 3620 CG ASN B 115 12.765 4.579 18.396 1.00 63.35 C ATOM 3621 OD1 ASN B 115 13.929 4.447 18.800 1.00 74.45 O ATOM 3622 ND2 ASN B 115 11.875 5.230 19.073 1.00 12.40 N ATOM 0 H ASN B 115 12.323 2.700 14.795 1.00 64.02 H new ATOM 0 HA ASN B 115 13.827 4.951 15.981 1.00 63.33 H new ATOM 0 HB2 ASN B 115 11.475 4.603 16.682 1.00 25.33 H new ATOM 0 HB3 ASN B 115 11.912 2.996 17.226 1.00 25.33 H new ATOM 0 HD21 ASN B 115 12.123 5.653 19.967 1.00 12.40 H new ATOM 0 HD22 ASN B 115 10.925 5.320 18.712 1.00 12.40 H new ATOM 3629 N MET B 116 15.628 3.182 15.981 1.00 60.23 N ATOM 3630 CA MET B 116 16.688 2.216 16.028 1.00 12.14 C ATOM 3631 C MET B 116 17.790 2.683 16.925 1.00 51.12 C ATOM 3632 O MET B 116 18.097 3.871 16.942 1.00 73.10 O ATOM 3633 CB MET B 116 17.234 2.045 14.594 1.00 34.21 C ATOM 3634 CG MET B 116 18.449 1.140 14.454 1.00 74.31 C ATOM 3635 SD MET B 116 19.057 1.082 12.754 1.00 21.14 S ATOM 3636 CE MET B 116 20.495 0.026 12.945 1.00 51.21 C ATOM 0 H MET B 116 15.916 4.098 15.638 1.00 60.23 H new ATOM 0 HA MET B 116 16.308 1.272 16.419 1.00 12.14 H new ATOM 0 HB2 MET B 116 16.436 1.650 13.966 1.00 34.21 H new ATOM 0 HB3 MET B 116 17.490 3.030 14.203 1.00 34.21 H new ATOM 0 HG2 MET B 116 19.243 1.495 15.111 1.00 74.31 H new ATOM 0 HG3 MET B 116 18.191 0.133 14.781 1.00 74.31 H new ATOM 0 HE1 MET B 116 20.981 -0.106 11.978 1.00 51.21 H new ATOM 0 HE2 MET B 116 21.194 0.486 13.643 1.00 51.21 H new ATOM 0 HE3 MET B 116 20.185 -0.945 13.330 1.00 51.21 H new ATOM 3646 N PRO B 117 18.374 1.775 17.728 1.00 33.22 N ATOM 3647 CA PRO B 117 19.575 2.085 18.469 1.00 72.51 C ATOM 3648 C PRO B 117 20.713 2.260 17.474 1.00 72.53 C ATOM 3649 O PRO B 117 21.256 1.267 16.938 1.00 65.14 O ATOM 3650 CB PRO B 117 19.816 0.850 19.356 1.00 51.43 C ATOM 3651 CG PRO B 117 18.534 0.087 19.320 1.00 45.31 C ATOM 3652 CD PRO B 117 17.899 0.405 17.999 1.00 53.22 C ATOM 0 HA PRO B 117 19.501 2.995 19.065 1.00 72.51 H new ATOM 0 HB2 PRO B 117 20.643 0.249 18.978 1.00 51.43 H new ATOM 0 HB3 PRO B 117 20.073 1.141 20.375 1.00 51.43 H new ATOM 0 HG2 PRO B 117 18.714 -0.983 19.418 1.00 45.31 H new ATOM 0 HG3 PRO B 117 17.884 0.378 20.145 1.00 45.31 H new ATOM 0 HD2 PRO B 117 18.212 -0.292 17.222 1.00 53.22 H new ATOM 0 HD3 PRO B 117 16.811 0.357 18.051 1.00 53.22 H new ATOM 3660 N GLY B 118 21.013 3.502 17.175 1.00 52.34 N ATOM 3661 CA GLY B 118 21.983 3.828 16.175 1.00 20.42 C ATOM 3662 C GLY B 118 23.398 3.580 16.607 1.00 70.32 C ATOM 3663 O GLY B 118 23.647 3.091 17.718 1.00 73.34 O ATOM 0 H GLY B 118 20.586 4.312 17.624 1.00 52.34 H new ATOM 0 HA2 GLY B 118 21.778 3.244 15.278 1.00 20.42 H new ATOM 0 HA3 GLY B 118 21.874 4.878 15.903 1.00 20.42 H new ATOM 3667 N ILE B 119 24.318 3.935 15.726 1.00 41.33 N ATOM 3668 CA ILE B 119 25.744 3.762 15.923 1.00 3.43 C ATOM 3669 C ILE B 119 26.129 2.285 15.862 1.00 54.52 C ATOM 3670 O ILE B 119 25.799 1.487 16.757 1.00 5.12 O ATOM 3671 CB ILE B 119 26.327 4.452 17.227 1.00 34.53 C ATOM 3672 CG1 ILE B 119 26.276 6.008 17.154 1.00 32.43 C ATOM 3673 CG2 ILE B 119 27.761 3.999 17.489 1.00 12.31 C ATOM 3674 CD1 ILE B 119 24.892 6.632 17.131 1.00 70.11 C ATOM 0 H ILE B 119 24.085 4.363 14.830 1.00 41.33 H new ATOM 0 HA ILE B 119 26.211 4.292 15.093 1.00 3.43 H new ATOM 0 HB ILE B 119 25.689 4.136 18.052 1.00 34.53 H new ATOM 0 HG12 ILE B 119 26.819 6.409 18.010 1.00 32.43 H new ATOM 0 HG13 ILE B 119 26.811 6.327 16.259 1.00 32.43 H new ATOM 0 HG21 ILE B 119 28.138 4.486 18.388 1.00 12.31 H new ATOM 0 HG22 ILE B 119 27.782 2.918 17.626 1.00 12.31 H new ATOM 0 HG23 ILE B 119 28.389 4.269 16.640 1.00 12.31 H new ATOM 0 HD11 ILE B 119 24.983 7.717 17.080 1.00 70.11 H new ATOM 0 HD12 ILE B 119 24.345 6.272 16.260 1.00 70.11 H new ATOM 0 HD13 ILE B 119 24.353 6.356 18.037 1.00 70.11 H new ATOM 3686 N SER B 120 26.790 1.930 14.788 1.00 3.13 N ATOM 3687 CA SER B 120 27.267 0.596 14.577 1.00 10.05 C ATOM 3688 C SER B 120 28.266 0.226 15.658 1.00 20.32 C ATOM 3689 O SER B 120 29.160 1.023 15.980 1.00 63.42 O ATOM 3690 CB SER B 120 27.921 0.540 13.211 1.00 33.22 C ATOM 3691 OG SER B 120 28.912 1.559 13.103 1.00 15.54 O ATOM 0 H SER B 120 27.012 2.573 14.028 1.00 3.13 H new ATOM 0 HA SER B 120 26.441 -0.114 14.623 1.00 10.05 H new ATOM 0 HB2 SER B 120 28.375 -0.439 13.056 1.00 33.22 H new ATOM 0 HB3 SER B 120 27.169 0.669 12.433 1.00 33.22 H new ATOM 0 HG SER B 120 29.301 1.732 13.986 1.00 15.54 H new ATOM 3697 N SER B 121 28.119 -0.946 16.212 1.00 71.30 N ATOM 3698 CA SER B 121 28.997 -1.411 17.239 1.00 61.12 C ATOM 3699 C SER B 121 30.378 -1.762 16.670 1.00 32.21 C ATOM 3700 O SER B 121 30.581 -2.849 16.126 1.00 71.03 O ATOM 3701 CB SER B 121 28.343 -2.592 17.958 1.00 52.12 C ATOM 3702 OG SER B 121 27.883 -3.561 17.012 1.00 2.34 O ATOM 0 H SER B 121 27.382 -1.605 15.960 1.00 71.30 H new ATOM 0 HA SER B 121 29.164 -0.617 17.967 1.00 61.12 H new ATOM 0 HB2 SER B 121 29.058 -3.052 18.640 1.00 52.12 H new ATOM 0 HB3 SER B 121 27.507 -2.240 18.563 1.00 52.12 H new ATOM 0 HG SER B 121 28.579 -3.718 16.340 1.00 2.34 H new ATOM 3708 N THR B 122 31.295 -0.817 16.741 1.00 54.22 N ATOM 3709 CA THR B 122 32.628 -1.007 16.240 1.00 13.43 C ATOM 3710 C THR B 122 33.663 -0.633 17.293 1.00 4.21 C ATOM 3711 O THR B 122 33.918 0.553 17.554 1.00 55.55 O ATOM 3712 CB THR B 122 32.879 -0.214 14.918 1.00 41.10 C ATOM 3713 OG1 THR B 122 32.558 1.180 15.094 1.00 41.04 O ATOM 3714 CG2 THR B 122 32.055 -0.779 13.766 1.00 44.53 C ATOM 0 H THR B 122 31.129 0.103 17.150 1.00 54.22 H new ATOM 0 HA THR B 122 32.733 -2.067 16.008 1.00 13.43 H new ATOM 0 HB THR B 122 33.936 -0.316 14.674 1.00 41.10 H new ATOM 0 HG1 THR B 122 32.941 1.500 15.938 1.00 41.04 H new ATOM 0 HG21 THR B 122 32.253 -0.205 12.861 1.00 44.53 H new ATOM 0 HG22 THR B 122 32.327 -1.821 13.601 1.00 44.53 H new ATOM 0 HG23 THR B 122 30.995 -0.715 14.011 1.00 44.53 H new ATOM 3722 N ASP B 123 34.224 -1.626 17.920 1.00 71.10 N ATOM 3723 CA ASP B 123 35.241 -1.411 18.914 1.00 24.51 C ATOM 3724 C ASP B 123 36.560 -1.915 18.397 1.00 3.44 C ATOM 3725 O ASP B 123 36.667 -3.065 17.994 1.00 75.34 O ATOM 3726 CB ASP B 123 34.894 -2.097 20.229 1.00 24.24 C ATOM 3727 CG ASP B 123 35.940 -1.837 21.280 1.00 64.13 C ATOM 3728 OD1 ASP B 123 35.880 -0.778 21.935 1.00 70.12 O ATOM 3729 OD2 ASP B 123 36.837 -2.679 21.466 1.00 64.22 O ATOM 0 H ASP B 123 33.992 -2.606 17.759 1.00 71.10 H new ATOM 0 HA ASP B 123 35.307 -0.341 19.110 1.00 24.51 H new ATOM 0 HB2 ASP B 123 33.926 -1.741 20.582 1.00 24.24 H new ATOM 0 HB3 ASP B 123 34.799 -3.171 20.066 1.00 24.24 H new ATOM 3734 N ARG B 124 37.546 -1.057 18.372 1.00 35.21 N ATOM 3735 CA ARG B 124 38.850 -1.411 17.865 1.00 31.10 C ATOM 3736 C ARG B 124 39.933 -0.906 18.789 1.00 52.32 C ATOM 3737 O ARG B 124 40.490 -1.715 19.555 1.00 38.46 O ATOM 3738 CB ARG B 124 39.065 -0.873 16.453 1.00 61.31 C ATOM 3739 CG ARG B 124 38.103 -1.421 15.412 1.00 32.44 C ATOM 3740 CD ARG B 124 38.423 -0.853 14.054 1.00 52.50 C ATOM 3741 NE ARG B 124 39.795 -1.167 13.668 1.00 14.23 N ATOM 3742 CZ ARG B 124 40.509 -0.504 12.768 1.00 20.24 C ATOM 3743 NH1 ARG B 124 39.979 0.522 12.118 1.00 40.41 N ATOM 3744 NH2 ARG B 124 41.756 -0.871 12.530 1.00 72.20 N ATOM 3745 OXT ARG B 124 40.225 0.305 18.764 1.00 38.46 O ATOM 0 H ARG B 124 37.470 -0.095 18.701 1.00 35.21 H new ATOM 0 HA ARG B 124 38.903 -2.499 17.821 1.00 31.10 H new ATOM 0 HB2 ARG B 124 38.975 0.213 16.475 1.00 61.31 H new ATOM 0 HB3 ARG B 124 40.084 -1.102 16.143 1.00 61.31 H new ATOM 0 HG2 ARG B 124 38.168 -2.509 15.383 1.00 32.44 H new ATOM 0 HG3 ARG B 124 37.078 -1.170 15.686 1.00 32.44 H new ATOM 0 HD2 ARG B 124 37.732 -1.257 13.314 1.00 52.50 H new ATOM 0 HD3 ARG B 124 38.282 0.228 14.065 1.00 52.50 H new ATOM 0 HE ARG B 124 40.241 -1.961 14.128 1.00 14.23 H new ATOM 0 HH11 ARG B 124 39.018 0.805 12.309 1.00 40.41 H new ATOM 0 HH12 ARG B 124 40.532 1.029 11.427 1.00 40.41 H new ATOM 0 HH21 ARG B 124 42.162 -1.658 13.037 1.00 72.20 H new ATOM 0 HH22 ARG B 124 42.313 -0.367 11.840 1.00 72.20 H new TER 3759 ARG B 124