USER MOD reduce.3.24.130724 H: found=0, std=0, add=1752, rem=0, adj=59 USER MOD reduce.3.24.130724 removed 1754 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 16 HIS : no HE2:sc= 1.71 K(o=4.4,f=-16!) USER MOD Set 1.2: B 92 SER OG : rot -74:sc= 1.14 USER MOD Set 1.3: B 108 CYS SG : rot 130:sc= 1.56 USER MOD Set 2.1: B 88 MET CE :methyl 168:sc=-0.00702 (180deg=-0.158) USER MOD Set 2.2: B 90 THR OG1 : rot -179:sc= -0.767 USER MOD Set 2.3: B 110 ASN : amide:sc= -0.394 K(o=-1.2,f=-3.5) USER MOD Set 3.1: A 88 MET CE :methyl -138:sc= -0.838 (180deg=-1.13) USER MOD Set 3.2: A 90 THR OG1 : rot -99:sc= 1.11 USER MOD Set 3.3: A 110 ASN : amide:sc= 0.864 K(o=1.1,f=-3.5) USER MOD Set 4.1: A 35 TYR OH : rot 59:sc= 1.87 USER MOD Set 4.2: A 83 GLN : amide:sc= 0.683 K(o=2.6,f=0.77) USER MOD Set 5.1: A 16 HIS : no HE2:sc= 1.45 K(o=4.7,f=-16!) USER MOD Set 5.2: A 92 SER OG : rot -75:sc= 1.42 USER MOD Set 5.3: A 108 CYS SG : rot 129:sc= 1.81 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.88 K(o=-0.88,f=-4.9!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.099 USER MOD Single : A 14 SER OG : rot -73:sc= 1.19 USER MOD Single : A 17 ASN : amide:sc= 0.655 K(o=0.65,f=-6.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.4!) USER MOD Single : A 29 CYS SG : rot 88:sc= 1.21 USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.85 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0827 F(o=-1.8!,f=-0.083) USER MOD Single : A 38 GLN : amide:sc= 0.845 K(o=0.84,f=-6.2!) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= 0.929 (180deg=0.418) USER MOD Single : A 44 ASN : amide:sc= 0.55 K(o=0.55,f=-0.037) USER MOD Single : A 49 CYS SG : rot 82:sc= -0.657 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.575 F(o=-1.8,f=-0.57) USER MOD Single : A 54 GLN : amide:sc= 0.494 K(o=0.49,f=-0.46) USER MOD Single : A 55 GLN : amide:sc= -0.279 K(o=-0.28,f=-0.98) USER MOD Single : A 60 SER OG : rot 83:sc= 1.25 USER MOD Single : A 62 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.023) USER MOD Single : A 63 GLN : amide:sc= 0.628 K(o=0.63,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.15) USER MOD Single : A 70 GLN : amide:sc= 0.0463 K(o=0.046,f=-5.2!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -156:sc= -0.188 (180deg=-1.05) USER MOD Single : A 80 SER OG : rot 171:sc=-0.00389 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.22) USER MOD Single : A 82 ASN : amide:sc= 0.69 K(o=0.69,f=-0.28) USER MOD Single : A 91 SER OG : rot 178:sc= 1.76 USER MOD Single : A 94 THR OG1 : rot -128:sc= 0.984 USER MOD Single : A 96 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.38) USER MOD Single : A 97 ASN : amide:sc= 1.16 K(o=1.2,f=-1.1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0.897 USER MOD Single : A 109 THR OG1 : rot 75:sc= 0.287 USER MOD Single : A 111 THR OG1 : rot 108:sc= 0.274 USER MOD Single : A 112 ASN : amide:sc= -0.626! X(o=-0.63!,f=-0.96) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.777 K(o=0.78,f=-6.1!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : B 14 SER OG : rot -90:sc= 1.03 USER MOD Single : B 17 ASN : amide:sc= -0.164 K(o=-0.16,f=-9.2!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.044) USER MOD Single : B 29 CYS SG : rot 92:sc= 1.05 USER MOD Single : B 32 THR OG1 : rot 64:sc= 0.387 USER MOD Single : B 35 TYR OH : rot 120:sc= 0.956 USER MOD Single : B 36 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : B 38 GLN : amide:sc= 0.94 K(o=0.94,f=-6.6!) USER MOD Single : B 43 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.21) USER MOD Single : B 44 ASN : amide:sc= 0.457 X(o=0.46,f=0) USER MOD Single : B 49 CYS SG : rot 75:sc= 0.136 USER MOD Single : B 50 HIS : no HE2:sc= 0.25 K(o=0.25,f=-5.8!) USER MOD Single : B 54 GLN : amide:sc= -1.49! C(o=-1.5!,f=-2.8!) USER MOD Single : B 55 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.88) USER MOD Single : B 60 SER OG : rot 85:sc= 1.35 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.16 F(o=-0.94,f=-0.16) USER MOD Single : B 63 GLN : amide:sc= 0.18 X(o=0.18,f=0) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ -179:sc= 0.924 (180deg=0.924) USER MOD Single : B 70 GLN : amide:sc= 0.324 K(o=0.32,f=-0.26) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 75 MET CE :methyl 153:sc= 0 (180deg=-0.907) USER MOD Single : B 80 SER OG : rot 150:sc= -2.08! USER MOD Single : B 81 LYS NZ :NH3+ -147:sc= -0.15 (180deg=-0.496!) USER MOD Single : B 82 ASN : amide:sc= 1.19 K(o=1.2,f=-0.34) USER MOD Single : B 83 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.041) USER MOD Single : B 91 SER OG : rot 81:sc= 0.996 USER MOD Single : B 94 THR OG1 : rot -144:sc= 0.808 USER MOD Single : B 96 GLN : amide:sc= -0.985! C(o=-0.98!,f=-3.3!) USER MOD Single : B 97 ASN : amide:sc= -3.22! C(o=-3.2!,f=-4!) USER MOD Single : B 99 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot 180:sc= 0.967 USER MOD Single : B 109 THR OG1 : rot -82:sc= 1.21 USER MOD Single : B 111 THR OG1 : rot -110:sc= 0.907 USER MOD Single : B 112 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.048) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 7 5.384 -2.416 -14.550 1.00 15.60 N ATOM 2 CA CYS A 7 3.960 -2.805 -14.610 1.00 14.69 C ATOM 3 C CYS A 7 3.287 -2.514 -13.277 1.00 14.16 C ATOM 4 O CYS A 7 3.951 -2.448 -12.241 1.00 14.28 O ATOM 5 CB CYS A 7 3.835 -4.293 -14.951 1.00 14.54 C ATOM 6 SG CYS A 7 4.703 -4.775 -16.460 1.00 15.21 S ATOM 0 HA CYS A 7 3.466 -2.225 -15.389 1.00 14.69 H new ATOM 0 HB2 CYS A 7 4.222 -4.880 -14.118 1.00 14.54 H new ATOM 0 HB3 CYS A 7 2.779 -4.544 -15.055 1.00 14.54 H new ATOM 0 HG CYS A 7 4.542 -6.049 -16.665 1.00 15.21 H new ATOM 12 N GLN A 8 1.975 -2.328 -13.304 1.00 13.72 N ATOM 13 CA GLN A 8 1.224 -2.041 -12.092 1.00 13.30 C ATOM 14 C GLN A 8 1.073 -3.311 -11.257 1.00 12.74 C ATOM 15 O GLN A 8 0.686 -4.358 -11.775 1.00 12.41 O ATOM 16 CB GLN A 8 -0.156 -1.469 -12.434 1.00 13.55 C ATOM 17 CG GLN A 8 -0.138 -0.464 -13.574 1.00 14.28 C ATOM 18 CD GLN A 8 0.730 0.743 -13.283 1.00 14.71 C ATOM 19 OE1 GLN A 8 0.774 1.236 -12.157 1.00 14.83 O ATOM 20 NE2 GLN A 8 1.428 1.226 -14.294 1.00 15.08 N ATOM 0 H GLN A 8 1.410 -2.371 -14.152 1.00 13.72 H new ATOM 0 HA GLN A 8 1.772 -1.297 -11.514 1.00 13.30 H new ATOM 0 HB2 GLN A 8 -0.824 -2.289 -12.696 1.00 13.55 H new ATOM 0 HB3 GLN A 8 -0.571 -0.991 -11.547 1.00 13.55 H new ATOM 0 HG2 GLN A 8 0.222 -0.955 -14.478 1.00 14.28 H new ATOM 0 HG3 GLN A 8 -1.157 -0.132 -13.775 1.00 14.28 H new ATOM 0 HE21 GLN A 8 1.364 0.788 -15.213 1.00 15.08 H new ATOM 0 HE22 GLN A 8 2.031 2.037 -14.156 1.00 15.08 H new ATOM 29 N PRO A 9 1.422 -3.247 -9.967 1.00 12.79 N ATOM 30 CA PRO A 9 1.314 -4.393 -9.065 1.00 12.47 C ATOM 31 C PRO A 9 -0.126 -4.656 -8.631 1.00 11.53 C ATOM 32 O PRO A 9 -1.024 -3.852 -8.886 1.00 11.34 O ATOM 33 CB PRO A 9 2.166 -3.975 -7.865 1.00 12.83 C ATOM 34 CG PRO A 9 2.084 -2.489 -7.850 1.00 13.43 C ATOM 35 CD PRO A 9 1.972 -2.061 -9.290 1.00 13.37 C ATOM 0 HA PRO A 9 1.641 -5.319 -9.538 1.00 12.47 H new ATOM 0 HB2 PRO A 9 1.784 -4.403 -6.938 1.00 12.83 H new ATOM 0 HB3 PRO A 9 3.196 -4.315 -7.972 1.00 12.83 H new ATOM 0 HG2 PRO A 9 1.221 -2.152 -7.275 1.00 13.43 H new ATOM 0 HG3 PRO A 9 2.968 -2.055 -7.382 1.00 13.43 H new ATOM 0 HD2 PRO A 9 1.317 -1.197 -9.401 1.00 13.37 H new ATOM 0 HD3 PRO A 9 2.942 -1.780 -9.700 1.00 13.37 H new ATOM 43 N THR A 10 -0.336 -5.781 -7.966 1.00 11.09 N ATOM 44 CA THR A 10 -1.656 -6.161 -7.492 1.00 10.34 C ATOM 45 C THR A 10 -1.968 -5.506 -6.146 1.00 9.71 C ATOM 46 O THR A 10 -2.378 -6.170 -5.194 1.00 9.71 O ATOM 47 CB THR A 10 -1.760 -7.690 -7.366 1.00 10.40 C ATOM 48 OG1 THR A 10 -0.444 -8.261 -7.331 1.00 11.09 O ATOM 49 CG2 THR A 10 -2.549 -8.279 -8.528 1.00 10.67 C ATOM 0 H THR A 10 0.399 -6.452 -7.741 1.00 11.09 H new ATOM 0 HA THR A 10 -2.387 -5.812 -8.222 1.00 10.34 H new ATOM 0 HB THR A 10 -2.286 -7.926 -6.441 1.00 10.40 H new ATOM 0 HG1 THR A 10 -0.512 -9.235 -7.249 1.00 11.09 H new ATOM 0 HG21 THR A 10 -2.608 -9.362 -8.416 1.00 10.67 H new ATOM 0 HG22 THR A 10 -3.555 -7.859 -8.535 1.00 10.67 H new ATOM 0 HG23 THR A 10 -2.049 -8.038 -9.466 1.00 10.67 H new ATOM 57 N GLU A 11 -1.777 -4.198 -6.089 1.00 9.37 N ATOM 58 CA GLU A 11 -2.021 -3.426 -4.884 1.00 9.01 C ATOM 59 C GLU A 11 -2.350 -1.994 -5.271 1.00 8.63 C ATOM 60 O GLU A 11 -1.727 -1.441 -6.178 1.00 9.08 O ATOM 61 CB GLU A 11 -0.790 -3.461 -3.969 1.00 9.39 C ATOM 62 CG GLU A 11 -0.954 -2.678 -2.671 1.00 9.30 C ATOM 63 CD GLU A 11 -0.174 -1.376 -2.667 1.00 10.28 C ATOM 64 OE1 GLU A 11 1.047 -1.409 -2.938 1.00 10.48 O ATOM 65 OE2 GLU A 11 -0.779 -0.316 -2.408 1.00 10.59 O ATOM 0 H GLU A 11 -1.448 -3.642 -6.878 1.00 9.37 H new ATOM 0 HA GLU A 11 -2.861 -3.858 -4.340 1.00 9.01 H new ATOM 0 HB2 GLU A 11 -0.560 -4.499 -3.728 1.00 9.39 H new ATOM 0 HB3 GLU A 11 0.066 -3.063 -4.515 1.00 9.39 H new ATOM 0 HG2 GLU A 11 -2.011 -2.464 -2.512 1.00 9.30 H new ATOM 0 HG3 GLU A 11 -0.625 -3.296 -1.835 1.00 9.30 H new ATOM 72 N PHE A 12 -3.338 -1.413 -4.612 1.00 8.06 N ATOM 73 CA PHE A 12 -3.727 -0.042 -4.897 1.00 8.00 C ATOM 74 C PHE A 12 -4.360 0.609 -3.672 1.00 7.20 C ATOM 75 O PHE A 12 -5.079 -0.038 -2.907 1.00 6.96 O ATOM 76 CB PHE A 12 -4.670 0.024 -6.111 1.00 8.48 C ATOM 77 CG PHE A 12 -6.086 -0.419 -5.860 1.00 7.99 C ATOM 78 CD1 PHE A 12 -6.425 -1.758 -5.919 1.00 8.45 C ATOM 79 CD2 PHE A 12 -7.082 0.510 -5.596 1.00 7.85 C ATOM 80 CE1 PHE A 12 -7.728 -2.166 -5.714 1.00 8.74 C ATOM 81 CE2 PHE A 12 -8.387 0.108 -5.394 1.00 8.21 C ATOM 82 CZ PHE A 12 -8.711 -1.233 -5.454 1.00 8.93 C ATOM 0 H PHE A 12 -3.883 -1.867 -3.879 1.00 8.06 H new ATOM 0 HA PHE A 12 -2.826 0.519 -5.146 1.00 8.00 H new ATOM 0 HB2 PHE A 12 -4.689 1.050 -6.478 1.00 8.48 H new ATOM 0 HB3 PHE A 12 -4.252 -0.592 -6.907 1.00 8.48 H new ATOM 0 HD1 PHE A 12 -5.662 -2.493 -6.128 1.00 8.45 H new ATOM 0 HD2 PHE A 12 -6.833 1.560 -5.548 1.00 7.85 H new ATOM 0 HE1 PHE A 12 -7.978 -3.216 -5.757 1.00 8.74 H new ATOM 0 HE2 PHE A 12 -9.153 0.841 -5.189 1.00 8.21 H new ATOM 0 HZ PHE A 12 -9.731 -1.551 -5.298 1.00 8.93 H new ATOM 92 N ILE A 13 -4.074 1.890 -3.487 1.00 7.08 N ATOM 93 CA ILE A 13 -4.604 2.639 -2.362 1.00 6.69 C ATOM 94 C ILE A 13 -6.021 3.122 -2.644 1.00 5.92 C ATOM 95 O ILE A 13 -6.263 3.857 -3.602 1.00 5.90 O ATOM 96 CB ILE A 13 -3.717 3.853 -2.021 1.00 7.52 C ATOM 97 CG1 ILE A 13 -2.284 3.401 -1.730 1.00 8.17 C ATOM 98 CG2 ILE A 13 -4.290 4.622 -0.836 1.00 7.63 C ATOM 99 CD1 ILE A 13 -2.174 2.438 -0.566 1.00 8.66 C ATOM 0 H ILE A 13 -3.474 2.433 -4.107 1.00 7.08 H new ATOM 0 HA ILE A 13 -4.616 1.960 -1.509 1.00 6.69 H new ATOM 0 HB ILE A 13 -3.700 4.521 -2.882 1.00 7.52 H new ATOM 0 HG12 ILE A 13 -1.874 2.928 -2.622 1.00 8.17 H new ATOM 0 HG13 ILE A 13 -1.671 4.278 -1.524 1.00 8.17 H new ATOM 0 HG21 ILE A 13 -3.649 5.475 -0.612 1.00 7.63 H new ATOM 0 HG22 ILE A 13 -5.292 4.975 -1.081 1.00 7.63 H new ATOM 0 HG23 ILE A 13 -4.339 3.967 0.033 1.00 7.63 H new ATOM 0 HD11 ILE A 13 -1.130 2.162 -0.420 1.00 8.66 H new ATOM 0 HD12 ILE A 13 -2.553 2.915 0.338 1.00 8.66 H new ATOM 0 HD13 ILE A 13 -2.760 1.543 -0.777 1.00 8.66 H new ATOM 111 N SER A 14 -6.949 2.702 -1.809 1.00 5.60 N ATOM 112 CA SER A 14 -8.337 3.089 -1.951 1.00 5.30 C ATOM 113 C SER A 14 -8.700 4.163 -0.932 1.00 5.64 C ATOM 114 O SER A 14 -9.033 3.857 0.216 1.00 6.11 O ATOM 115 CB SER A 14 -9.229 1.865 -1.773 1.00 5.40 C ATOM 116 OG SER A 14 -8.647 0.726 -2.382 1.00 5.67 O ATOM 0 H SER A 14 -6.764 2.086 -1.017 1.00 5.60 H new ATOM 0 HA SER A 14 -8.490 3.501 -2.948 1.00 5.30 H new ATOM 0 HB2 SER A 14 -9.386 1.675 -0.711 1.00 5.40 H new ATOM 0 HB3 SER A 14 -10.209 2.056 -2.211 1.00 5.40 H new ATOM 0 HG SER A 14 -8.711 0.807 -3.357 1.00 5.67 H new ATOM 122 N ARG A 15 -8.610 5.422 -1.340 1.00 5.77 N ATOM 123 CA ARG A 15 -8.942 6.529 -0.456 1.00 6.44 C ATOM 124 C ARG A 15 -10.439 6.796 -0.520 1.00 6.84 C ATOM 125 O ARG A 15 -10.933 7.462 -1.434 1.00 7.10 O ATOM 126 CB ARG A 15 -8.152 7.787 -0.826 1.00 6.76 C ATOM 127 CG ARG A 15 -6.648 7.582 -0.801 1.00 7.07 C ATOM 128 CD ARG A 15 -5.911 8.749 -1.435 1.00 7.39 C ATOM 129 NE ARG A 15 -5.553 9.777 -0.458 1.00 8.02 N ATOM 130 CZ ARG A 15 -4.364 10.372 -0.411 1.00 8.40 C ATOM 131 NH1 ARG A 15 -3.437 10.070 -1.307 1.00 8.31 N ATOM 132 NH2 ARG A 15 -4.105 11.277 0.520 1.00 9.09 N ATOM 0 H ARG A 15 -8.311 5.701 -2.274 1.00 5.77 H new ATOM 0 HA ARG A 15 -8.668 6.259 0.564 1.00 6.44 H new ATOM 0 HB2 ARG A 15 -8.450 8.115 -1.822 1.00 6.76 H new ATOM 0 HB3 ARG A 15 -8.414 8.588 -0.135 1.00 6.76 H new ATOM 0 HG2 ARG A 15 -6.315 7.458 0.229 1.00 7.07 H new ATOM 0 HG3 ARG A 15 -6.397 6.663 -1.330 1.00 7.07 H new ATOM 0 HD2 ARG A 15 -5.007 8.383 -1.922 1.00 7.39 H new ATOM 0 HD3 ARG A 15 -6.535 9.191 -2.212 1.00 7.39 H new ATOM 0 HE ARG A 15 -6.256 10.054 0.227 1.00 8.02 H new ATOM 0 HH11 ARG A 15 -3.635 9.381 -2.033 1.00 8.31 H new ATOM 0 HH12 ARG A 15 -2.525 10.526 -1.271 1.00 8.31 H new ATOM 0 HH21 ARG A 15 -4.819 11.521 1.206 1.00 9.09 H new ATOM 0 HH22 ARG A 15 -3.192 11.730 0.551 1.00 9.09 H new ATOM 146 N HIS A 16 -11.160 6.248 0.442 1.00 7.25 N ATOM 147 CA HIS A 16 -12.604 6.404 0.496 1.00 8.00 C ATOM 148 C HIS A 16 -13.027 6.910 1.863 1.00 8.80 C ATOM 149 O HIS A 16 -12.334 6.681 2.854 1.00 9.25 O ATOM 150 CB HIS A 16 -13.303 5.074 0.182 1.00 7.87 C ATOM 151 CG HIS A 16 -13.055 3.986 1.186 1.00 8.55 C ATOM 152 ND1 HIS A 16 -13.657 3.945 2.427 1.00 8.91 N ATOM 153 CD2 HIS A 16 -12.270 2.886 1.120 1.00 9.13 C ATOM 154 CE1 HIS A 16 -13.254 2.869 3.074 1.00 9.65 C ATOM 155 NE2 HIS A 16 -12.412 2.209 2.305 1.00 9.79 N ATOM 0 H HIS A 16 -10.768 5.689 1.200 1.00 7.25 H new ATOM 0 HA HIS A 16 -12.900 7.135 -0.256 1.00 8.00 H new ATOM 0 HB2 HIS A 16 -14.377 5.250 0.114 1.00 7.87 H new ATOM 0 HB3 HIS A 16 -12.974 4.728 -0.798 1.00 7.87 H new ATOM 0 HD1 HIS A 16 -14.312 4.639 2.788 1.00 8.91 H new ATOM 0 HD2 HIS A 16 -11.646 2.594 0.288 1.00 9.13 H new ATOM 0 HE1 HIS A 16 -13.562 2.578 4.067 1.00 9.65 H new ATOM 164 N ASN A 17 -14.165 7.582 1.918 1.00 9.21 N ATOM 165 CA ASN A 17 -14.668 8.113 3.177 1.00 10.20 C ATOM 166 C ASN A 17 -15.212 6.984 4.053 1.00 10.40 C ATOM 167 O ASN A 17 -15.218 5.819 3.638 1.00 10.47 O ATOM 168 CB ASN A 17 -15.742 9.182 2.923 1.00 11.03 C ATOM 169 CG ASN A 17 -17.126 8.611 2.659 1.00 11.85 C ATOM 170 OD1 ASN A 17 -17.281 7.560 2.038 1.00 11.82 O ATOM 171 ND2 ASN A 17 -18.140 9.302 3.151 1.00 12.69 N ATOM 0 H ASN A 17 -14.757 7.773 1.110 1.00 9.21 H new ATOM 0 HA ASN A 17 -13.843 8.587 3.709 1.00 10.20 H new ATOM 0 HB2 ASN A 17 -15.792 9.846 3.786 1.00 11.03 H new ATOM 0 HB3 ASN A 17 -15.441 9.790 2.070 1.00 11.03 H new ATOM 0 HD21 ASN A 17 -19.095 8.968 3.022 1.00 12.69 H new ATOM 0 HD22 ASN A 17 -17.967 10.169 3.660 1.00 12.69 H new ATOM 178 N ILE A 18 -15.671 7.328 5.254 1.00 10.70 N ATOM 179 CA ILE A 18 -16.205 6.345 6.200 1.00 11.18 C ATOM 180 C ILE A 18 -17.362 5.527 5.617 1.00 11.08 C ATOM 181 O ILE A 18 -17.559 4.374 5.992 1.00 11.25 O ATOM 182 CB ILE A 18 -16.674 7.014 7.515 1.00 12.00 C ATOM 183 CG1 ILE A 18 -17.586 8.210 7.221 1.00 12.63 C ATOM 184 CG2 ILE A 18 -15.470 7.445 8.344 1.00 12.34 C ATOM 185 CD1 ILE A 18 -18.206 8.826 8.458 1.00 13.58 C ATOM 0 H ILE A 18 -15.685 8.288 5.599 1.00 10.70 H new ATOM 0 HA ILE A 18 -15.378 5.667 6.411 1.00 11.18 H new ATOM 0 HB ILE A 18 -17.248 6.286 8.088 1.00 12.00 H new ATOM 0 HG12 ILE A 18 -17.011 8.973 6.696 1.00 12.63 H new ATOM 0 HG13 ILE A 18 -18.382 7.891 6.548 1.00 12.63 H new ATOM 0 HG21 ILE A 18 -15.812 7.914 9.266 1.00 12.34 H new ATOM 0 HG22 ILE A 18 -14.863 6.572 8.585 1.00 12.34 H new ATOM 0 HG23 ILE A 18 -14.872 8.157 7.775 1.00 12.34 H new ATOM 0 HD11 ILE A 18 -18.838 9.666 8.169 1.00 13.58 H new ATOM 0 HD12 ILE A 18 -18.810 8.079 8.973 1.00 13.58 H new ATOM 0 HD13 ILE A 18 -17.418 9.177 9.124 1.00 13.58 H new ATOM 197 N GLU A 19 -18.112 6.114 4.689 1.00 10.98 N ATOM 198 CA GLU A 19 -19.245 5.424 4.078 1.00 11.15 C ATOM 199 C GLU A 19 -18.783 4.417 3.026 1.00 10.09 C ATOM 200 O GLU A 19 -19.541 3.536 2.618 1.00 10.09 O ATOM 201 CB GLU A 19 -20.201 6.434 3.451 1.00 12.03 C ATOM 202 CG GLU A 19 -20.819 7.384 4.461 1.00 13.15 C ATOM 203 CD GLU A 19 -21.540 8.540 3.808 1.00 13.37 C ATOM 204 OE1 GLU A 19 -20.868 9.374 3.164 1.00 13.50 O ATOM 205 OE2 GLU A 19 -22.778 8.627 3.944 1.00 13.85 O ATOM 0 H GLU A 19 -17.957 7.061 4.344 1.00 10.98 H new ATOM 0 HA GLU A 19 -19.765 4.876 4.863 1.00 11.15 H new ATOM 0 HB2 GLU A 19 -19.665 7.013 2.699 1.00 12.03 H new ATOM 0 HB3 GLU A 19 -20.996 5.898 2.933 1.00 12.03 H new ATOM 0 HG2 GLU A 19 -21.518 6.834 5.091 1.00 13.15 H new ATOM 0 HG3 GLU A 19 -20.038 7.771 5.115 1.00 13.15 H new ATOM 212 N GLY A 20 -17.546 4.559 2.577 1.00 9.38 N ATOM 213 CA GLY A 20 -17.012 3.647 1.588 1.00 8.49 C ATOM 214 C GLY A 20 -16.915 4.270 0.211 1.00 8.41 C ATOM 215 O GLY A 20 -16.413 3.639 -0.718 1.00 8.52 O ATOM 0 H GLY A 20 -16.902 5.290 2.880 1.00 9.38 H new ATOM 0 HA2 GLY A 20 -16.023 3.315 1.903 1.00 8.49 H new ATOM 0 HA3 GLY A 20 -17.645 2.761 1.538 1.00 8.49 H new ATOM 219 N ILE A 21 -17.382 5.507 0.088 1.00 8.47 N ATOM 220 CA ILE A 21 -17.349 6.225 -1.181 1.00 8.70 C ATOM 221 C ILE A 21 -15.924 6.626 -1.535 1.00 8.24 C ATOM 222 O ILE A 21 -15.282 7.392 -0.805 1.00 8.70 O ATOM 223 CB ILE A 21 -18.238 7.491 -1.136 1.00 9.49 C ATOM 224 CG1 ILE A 21 -19.712 7.102 -1.007 1.00 10.11 C ATOM 225 CG2 ILE A 21 -18.014 8.355 -2.373 1.00 9.59 C ATOM 226 CD1 ILE A 21 -20.317 6.541 -2.279 1.00 10.74 C ATOM 0 H ILE A 21 -17.791 6.037 0.858 1.00 8.47 H new ATOM 0 HA ILE A 21 -17.737 5.551 -1.944 1.00 8.70 H new ATOM 0 HB ILE A 21 -17.958 8.077 -0.261 1.00 9.49 H new ATOM 0 HG12 ILE A 21 -19.814 6.363 -0.212 1.00 10.11 H new ATOM 0 HG13 ILE A 21 -20.283 7.979 -0.702 1.00 10.11 H new ATOM 0 HG21 ILE A 21 -18.649 9.239 -2.319 1.00 9.59 H new ATOM 0 HG22 ILE A 21 -16.969 8.661 -2.418 1.00 9.59 H new ATOM 0 HG23 ILE A 21 -18.263 7.783 -3.267 1.00 9.59 H new ATOM 0 HD11 ILE A 21 -21.363 6.290 -2.104 1.00 10.74 H new ATOM 0 HD12 ILE A 21 -20.250 7.285 -3.073 1.00 10.74 H new ATOM 0 HD13 ILE A 21 -19.773 5.644 -2.576 1.00 10.74 H new ATOM 238 N PHE A 22 -15.426 6.095 -2.644 1.00 7.56 N ATOM 239 CA PHE A 22 -14.077 6.400 -3.099 1.00 7.35 C ATOM 240 C PHE A 22 -13.996 7.838 -3.584 1.00 7.07 C ATOM 241 O PHE A 22 -14.777 8.257 -4.439 1.00 7.53 O ATOM 242 CB PHE A 22 -13.655 5.462 -4.231 1.00 7.50 C ATOM 243 CG PHE A 22 -13.600 4.012 -3.850 1.00 8.14 C ATOM 244 CD1 PHE A 22 -12.469 3.479 -3.253 1.00 8.60 C ATOM 245 CD2 PHE A 22 -14.674 3.177 -4.106 1.00 8.51 C ATOM 246 CE1 PHE A 22 -12.417 2.141 -2.915 1.00 9.42 C ATOM 247 CE2 PHE A 22 -14.625 1.840 -3.772 1.00 9.27 C ATOM 248 CZ PHE A 22 -13.493 1.321 -3.177 1.00 9.73 C ATOM 0 H PHE A 22 -15.938 5.450 -3.246 1.00 7.56 H new ATOM 0 HA PHE A 22 -13.402 6.260 -2.255 1.00 7.35 H new ATOM 0 HB2 PHE A 22 -14.351 5.580 -5.062 1.00 7.50 H new ATOM 0 HB3 PHE A 22 -12.673 5.767 -4.592 1.00 7.50 H new ATOM 0 HD1 PHE A 22 -11.620 4.116 -3.050 1.00 8.60 H new ATOM 0 HD2 PHE A 22 -15.561 3.578 -4.573 1.00 8.51 H new ATOM 0 HE1 PHE A 22 -11.532 1.737 -2.445 1.00 9.42 H new ATOM 0 HE2 PHE A 22 -15.471 1.200 -3.976 1.00 9.27 H new ATOM 0 HZ PHE A 22 -13.451 0.274 -2.917 1.00 9.73 H new ATOM 258 N THR A 23 -13.064 8.591 -3.024 1.00 6.58 N ATOM 259 CA THR A 23 -12.876 9.978 -3.412 1.00 6.57 C ATOM 260 C THR A 23 -11.568 10.130 -4.188 1.00 5.83 C ATOM 261 O THR A 23 -11.378 11.084 -4.943 1.00 5.91 O ATOM 262 CB THR A 23 -12.878 10.898 -2.181 1.00 7.05 C ATOM 263 OG1 THR A 23 -13.789 10.375 -1.199 1.00 7.33 O ATOM 264 CG2 THR A 23 -13.295 12.310 -2.564 1.00 7.74 C ATOM 0 H THR A 23 -12.426 8.264 -2.299 1.00 6.58 H new ATOM 0 HA THR A 23 -13.706 10.272 -4.054 1.00 6.57 H new ATOM 0 HB THR A 23 -11.869 10.936 -1.769 1.00 7.05 H new ATOM 0 HG1 THR A 23 -13.792 10.958 -0.412 1.00 7.33 H new ATOM 0 HG21 THR A 23 -13.289 12.944 -1.677 1.00 7.74 H new ATOM 0 HG22 THR A 23 -12.597 12.709 -3.300 1.00 7.74 H new ATOM 0 HG23 THR A 23 -14.298 12.290 -2.990 1.00 7.74 H new ATOM 272 N PHE A 24 -10.672 9.171 -3.990 1.00 5.35 N ATOM 273 CA PHE A 24 -9.390 9.150 -4.675 1.00 4.99 C ATOM 274 C PHE A 24 -8.926 7.706 -4.808 1.00 4.39 C ATOM 275 O PHE A 24 -8.695 7.026 -3.808 1.00 4.25 O ATOM 276 CB PHE A 24 -8.348 9.980 -3.920 1.00 5.47 C ATOM 277 CG PHE A 24 -7.157 10.359 -4.760 1.00 5.80 C ATOM 278 CD1 PHE A 24 -6.064 9.514 -4.862 1.00 6.29 C ATOM 279 CD2 PHE A 24 -7.136 11.561 -5.450 1.00 5.92 C ATOM 280 CE1 PHE A 24 -4.972 9.860 -5.635 1.00 6.89 C ATOM 281 CE2 PHE A 24 -6.046 11.912 -6.225 1.00 6.43 C ATOM 282 CZ PHE A 24 -4.962 11.062 -6.317 1.00 6.92 C ATOM 0 H PHE A 24 -10.815 8.389 -3.351 1.00 5.35 H new ATOM 0 HA PHE A 24 -9.507 9.592 -5.664 1.00 4.99 H new ATOM 0 HB2 PHE A 24 -8.821 10.887 -3.544 1.00 5.47 H new ATOM 0 HB3 PHE A 24 -8.006 9.416 -3.052 1.00 5.47 H new ATOM 0 HD1 PHE A 24 -6.065 8.574 -4.331 1.00 6.29 H new ATOM 0 HD2 PHE A 24 -7.980 12.231 -5.382 1.00 5.92 H new ATOM 0 HE1 PHE A 24 -4.127 9.191 -5.706 1.00 6.89 H new ATOM 0 HE2 PHE A 24 -6.043 12.851 -6.758 1.00 6.43 H new ATOM 0 HZ PHE A 24 -4.109 11.336 -6.920 1.00 6.92 H new ATOM 292 N VAL A 25 -8.809 7.234 -6.035 1.00 4.43 N ATOM 293 CA VAL A 25 -8.397 5.864 -6.283 1.00 4.39 C ATOM 294 C VAL A 25 -6.997 5.817 -6.882 1.00 4.75 C ATOM 295 O VAL A 25 -6.551 6.772 -7.525 1.00 5.12 O ATOM 296 CB VAL A 25 -9.384 5.144 -7.228 1.00 5.05 C ATOM 297 CG1 VAL A 25 -9.223 3.632 -7.139 1.00 5.18 C ATOM 298 CG2 VAL A 25 -10.816 5.550 -6.915 1.00 6.02 C ATOM 0 H VAL A 25 -8.994 7.779 -6.877 1.00 4.43 H new ATOM 0 HA VAL A 25 -8.393 5.350 -5.322 1.00 4.39 H new ATOM 0 HB VAL A 25 -9.155 5.447 -8.250 1.00 5.05 H new ATOM 0 HG11 VAL A 25 -9.930 3.150 -7.815 1.00 5.18 H new ATOM 0 HG12 VAL A 25 -8.207 3.357 -7.421 1.00 5.18 H new ATOM 0 HG13 VAL A 25 -9.417 3.305 -6.117 1.00 5.18 H new ATOM 0 HG21 VAL A 25 -11.497 5.033 -7.591 1.00 6.02 H new ATOM 0 HG22 VAL A 25 -11.053 5.282 -5.885 1.00 6.02 H new ATOM 0 HG23 VAL A 25 -10.925 6.627 -7.044 1.00 6.02 H new ATOM 308 N ASP A 26 -6.305 4.713 -6.649 1.00 5.07 N ATOM 309 CA ASP A 26 -4.959 4.512 -7.164 1.00 5.85 C ATOM 310 C ASP A 26 -4.997 4.276 -8.671 1.00 6.77 C ATOM 311 O ASP A 26 -6.066 4.131 -9.259 1.00 6.87 O ATOM 312 CB ASP A 26 -4.318 3.313 -6.466 1.00 5.75 C ATOM 313 CG ASP A 26 -2.804 3.356 -6.443 1.00 6.66 C ATOM 314 OD1 ASP A 26 -2.178 3.211 -7.517 1.00 7.31 O ATOM 315 OD2 ASP A 26 -2.235 3.508 -5.344 1.00 6.95 O ATOM 0 H ASP A 26 -6.660 3.931 -6.098 1.00 5.07 H new ATOM 0 HA ASP A 26 -4.367 5.406 -6.967 1.00 5.85 H new ATOM 0 HB2 ASP A 26 -4.686 3.261 -5.441 1.00 5.75 H new ATOM 0 HB3 ASP A 26 -4.639 2.399 -6.966 1.00 5.75 H new ATOM 320 N HIS A 27 -3.832 4.231 -9.286 1.00 7.68 N ATOM 321 CA HIS A 27 -3.731 4.002 -10.719 1.00 8.77 C ATOM 322 C HIS A 27 -3.459 2.530 -10.988 1.00 9.47 C ATOM 323 O HIS A 27 -3.796 2.000 -12.047 1.00 9.87 O ATOM 324 CB HIS A 27 -2.597 4.838 -11.319 1.00 9.42 C ATOM 325 CG HIS A 27 -2.889 6.303 -11.423 1.00 10.21 C ATOM 326 ND1 HIS A 27 -1.906 7.248 -11.627 1.00 10.91 N ATOM 327 CD2 HIS A 27 -4.057 6.987 -11.367 1.00 10.62 C ATOM 328 CE1 HIS A 27 -2.456 8.446 -11.691 1.00 11.67 C ATOM 329 NE2 HIS A 27 -3.760 8.317 -11.538 1.00 11.51 N ATOM 0 H HIS A 27 -2.935 4.350 -8.815 1.00 7.68 H new ATOM 0 HA HIS A 27 -4.674 4.295 -11.181 1.00 8.77 H new ATOM 0 HB2 HIS A 27 -1.702 4.702 -10.711 1.00 9.42 H new ATOM 0 HB3 HIS A 27 -2.368 4.455 -12.314 1.00 9.42 H new ATOM 0 HD1 HIS A 27 -0.909 7.052 -11.715 1.00 10.91 H new ATOM 0 HD2 HIS A 27 -5.039 6.565 -11.216 1.00 10.62 H new ATOM 0 HE1 HIS A 27 -1.928 9.376 -11.843 1.00 11.67 H new ATOM 338 N ARG A 28 -2.869 1.869 -10.001 1.00 9.78 N ATOM 339 CA ARG A 28 -2.508 0.461 -10.117 1.00 10.59 C ATOM 340 C ARG A 28 -3.721 -0.465 -9.982 1.00 11.06 C ATOM 341 O ARG A 28 -3.602 -1.678 -10.172 1.00 11.12 O ATOM 342 CB ARG A 28 -1.463 0.116 -9.057 1.00 10.74 C ATOM 343 CG ARG A 28 -0.232 1.013 -9.110 1.00 11.22 C ATOM 344 CD ARG A 28 0.601 0.908 -7.842 1.00 11.69 C ATOM 345 NE ARG A 28 -0.083 1.476 -6.683 1.00 11.31 N ATOM 346 CZ ARG A 28 0.055 1.010 -5.442 1.00 11.44 C ATOM 347 NH1 ARG A 28 0.893 0.012 -5.190 1.00 11.91 N ATOM 348 NH2 ARG A 28 -0.629 1.560 -4.449 1.00 11.23 N ATOM 0 H ARG A 28 -2.628 2.289 -9.103 1.00 9.78 H new ATOM 0 HA ARG A 28 -2.097 0.304 -11.114 1.00 10.59 H new ATOM 0 HB2 ARG A 28 -1.918 0.193 -8.070 1.00 10.74 H new ATOM 0 HB3 ARG A 28 -1.154 -0.921 -9.185 1.00 10.74 H new ATOM 0 HG2 ARG A 28 0.380 0.740 -9.970 1.00 11.22 H new ATOM 0 HG3 ARG A 28 -0.543 2.048 -9.256 1.00 11.22 H new ATOM 0 HD2 ARG A 28 0.833 -0.139 -7.648 1.00 11.69 H new ATOM 0 HD3 ARG A 28 1.550 1.423 -7.990 1.00 11.69 H new ATOM 0 HE ARG A 28 -0.701 2.274 -6.832 1.00 11.31 H new ATOM 0 HH11 ARG A 28 1.435 -0.402 -5.948 1.00 11.91 H new ATOM 0 HH12 ARG A 28 0.995 -0.341 -4.238 1.00 11.91 H new ATOM 0 HH21 ARG A 28 -1.260 2.339 -4.635 1.00 11.23 H new ATOM 0 HH22 ARG A 28 -0.524 1.204 -3.499 1.00 11.23 H new ATOM 362 N CYS A 29 -4.888 0.111 -9.695 1.00 11.56 N ATOM 363 CA CYS A 29 -6.117 -0.668 -9.529 1.00 12.23 C ATOM 364 C CYS A 29 -6.454 -1.461 -10.792 1.00 12.88 C ATOM 365 O CYS A 29 -7.079 -2.527 -10.724 1.00 12.99 O ATOM 366 CB CYS A 29 -7.282 0.257 -9.172 1.00 12.60 C ATOM 367 SG CYS A 29 -7.618 1.524 -10.413 1.00 12.95 S ATOM 0 H CYS A 29 -5.009 1.116 -9.572 1.00 11.56 H new ATOM 0 HA CYS A 29 -5.953 -1.378 -8.718 1.00 12.23 H new ATOM 0 HB2 CYS A 29 -8.180 -0.344 -9.029 1.00 12.60 H new ATOM 0 HB3 CYS A 29 -7.069 0.743 -8.220 1.00 12.60 H new ATOM 0 HG CYS A 29 -8.443 1.054 -11.301 1.00 12.95 H new ATOM 373 N VAL A 30 -6.018 -0.946 -11.936 1.00 13.46 N ATOM 374 CA VAL A 30 -6.268 -1.589 -13.219 1.00 14.27 C ATOM 375 C VAL A 30 -5.609 -2.964 -13.277 1.00 14.13 C ATOM 376 O VAL A 30 -6.152 -3.898 -13.863 1.00 14.19 O ATOM 377 CB VAL A 30 -5.753 -0.726 -14.388 1.00 15.19 C ATOM 378 CG1 VAL A 30 -6.171 -1.325 -15.722 1.00 16.15 C ATOM 379 CG2 VAL A 30 -6.259 0.702 -14.256 1.00 15.20 C ATOM 0 H VAL A 30 -5.486 -0.078 -12.000 1.00 13.46 H new ATOM 0 HA VAL A 30 -7.348 -1.704 -13.316 1.00 14.27 H new ATOM 0 HB VAL A 30 -4.664 -0.709 -14.351 1.00 15.19 H new ATOM 0 HG11 VAL A 30 -5.798 -0.701 -16.534 1.00 16.15 H new ATOM 0 HG12 VAL A 30 -5.757 -2.329 -15.816 1.00 16.15 H new ATOM 0 HG13 VAL A 30 -7.259 -1.375 -15.774 1.00 16.15 H new ATOM 0 HG21 VAL A 30 -5.887 1.298 -15.089 1.00 15.20 H new ATOM 0 HG22 VAL A 30 -7.349 0.704 -14.267 1.00 15.20 H new ATOM 0 HG23 VAL A 30 -5.905 1.128 -13.318 1.00 15.20 H new ATOM 389 N ALA A 31 -4.452 -3.096 -12.651 1.00 14.12 N ATOM 390 CA ALA A 31 -3.741 -4.365 -12.646 1.00 14.20 C ATOM 391 C ALA A 31 -4.095 -5.184 -11.413 1.00 14.41 C ATOM 392 O ALA A 31 -3.672 -6.330 -11.274 1.00 15.07 O ATOM 393 CB ALA A 31 -2.247 -4.135 -12.724 1.00 14.19 C ATOM 0 H ALA A 31 -3.986 -2.345 -12.142 1.00 14.12 H new ATOM 0 HA ALA A 31 -4.050 -4.931 -13.525 1.00 14.20 H new ATOM 0 HB1 ALA A 31 -1.730 -5.095 -12.719 1.00 14.19 H new ATOM 0 HB2 ALA A 31 -2.009 -3.599 -13.643 1.00 14.19 H new ATOM 0 HB3 ALA A 31 -1.924 -3.545 -11.866 1.00 14.19 H new ATOM 399 N THR A 32 -4.857 -4.585 -10.510 1.00 13.95 N ATOM 400 CA THR A 32 -5.275 -5.274 -9.301 1.00 14.24 C ATOM 401 C THR A 32 -6.609 -5.977 -9.527 1.00 14.03 C ATOM 402 O THR A 32 -6.731 -7.188 -9.326 1.00 14.20 O ATOM 403 CB THR A 32 -5.407 -4.305 -8.112 1.00 14.27 C ATOM 404 OG1 THR A 32 -4.288 -3.411 -8.083 1.00 14.90 O ATOM 405 CG2 THR A 32 -5.486 -5.068 -6.797 1.00 14.04 C ATOM 0 H THR A 32 -5.197 -3.627 -10.592 1.00 13.95 H new ATOM 0 HA THR A 32 -4.506 -6.009 -9.063 1.00 14.24 H new ATOM 0 HB THR A 32 -6.327 -3.733 -8.238 1.00 14.27 H new ATOM 0 HG1 THR A 32 -4.330 -2.809 -8.856 1.00 14.90 H new ATOM 0 HG21 THR A 32 -5.579 -4.362 -5.972 1.00 14.04 H new ATOM 0 HG22 THR A 32 -6.354 -5.727 -6.810 1.00 14.04 H new ATOM 0 HG23 THR A 32 -4.582 -5.662 -6.666 1.00 14.04 H new ATOM 413 N VAL A 33 -7.607 -5.207 -9.954 1.00 13.80 N ATOM 414 CA VAL A 33 -8.936 -5.752 -10.208 1.00 13.77 C ATOM 415 C VAL A 33 -9.389 -5.472 -11.637 1.00 13.68 C ATOM 416 O VAL A 33 -10.275 -6.145 -12.154 1.00 13.84 O ATOM 417 CB VAL A 33 -9.987 -5.190 -9.227 1.00 13.66 C ATOM 418 CG1 VAL A 33 -9.858 -5.854 -7.867 1.00 13.80 C ATOM 419 CG2 VAL A 33 -9.862 -3.677 -9.101 1.00 13.68 C ATOM 0 H VAL A 33 -7.520 -4.206 -10.131 1.00 13.80 H new ATOM 0 HA VAL A 33 -8.858 -6.829 -10.059 1.00 13.77 H new ATOM 0 HB VAL A 33 -10.976 -5.414 -9.627 1.00 13.66 H new ATOM 0 HG11 VAL A 33 -10.607 -5.444 -7.190 1.00 13.80 H new ATOM 0 HG12 VAL A 33 -10.011 -6.928 -7.971 1.00 13.80 H new ATOM 0 HG13 VAL A 33 -8.863 -5.666 -7.463 1.00 13.80 H new ATOM 0 HG21 VAL A 33 -10.614 -3.307 -8.404 1.00 13.68 H new ATOM 0 HG22 VAL A 33 -8.868 -3.424 -8.731 1.00 13.68 H new ATOM 0 HG23 VAL A 33 -10.014 -3.217 -10.077 1.00 13.68 H new ATOM 429 N GLY A 34 -8.791 -4.471 -12.266 1.00 13.56 N ATOM 430 CA GLY A 34 -9.158 -4.137 -13.628 1.00 13.65 C ATOM 431 C GLY A 34 -10.066 -2.929 -13.694 1.00 13.54 C ATOM 432 O GLY A 34 -10.225 -2.318 -14.750 1.00 13.85 O ATOM 0 H GLY A 34 -8.061 -3.886 -11.860 1.00 13.56 H new ATOM 0 HA2 GLY A 34 -8.256 -3.944 -14.209 1.00 13.65 H new ATOM 0 HA3 GLY A 34 -9.657 -4.990 -14.088 1.00 13.65 H new ATOM 436 N TYR A 35 -10.670 -2.590 -12.561 1.00 13.21 N ATOM 437 CA TYR A 35 -11.566 -1.445 -12.482 1.00 13.20 C ATOM 438 C TYR A 35 -10.781 -0.145 -12.575 1.00 12.81 C ATOM 439 O TYR A 35 -9.713 -0.007 -11.972 1.00 12.67 O ATOM 440 CB TYR A 35 -12.358 -1.463 -11.173 1.00 13.25 C ATOM 441 CG TYR A 35 -13.589 -2.346 -11.201 1.00 15.79 C ATOM 442 CD1 TYR A 35 -14.479 -2.304 -12.266 1.00 16.05 C ATOM 443 CD2 TYR A 35 -13.868 -3.208 -10.149 1.00 16.35 C ATOM 444 CE1 TYR A 35 -15.610 -3.099 -12.283 1.00 16.85 C ATOM 445 CE2 TYR A 35 -14.996 -4.007 -10.162 1.00 17.14 C ATOM 446 CZ TYR A 35 -15.865 -3.948 -11.229 1.00 15.43 C ATOM 447 OH TYR A 35 -16.993 -4.740 -11.239 1.00 18.28 O ATOM 0 H TYR A 35 -10.554 -3.094 -11.682 1.00 13.21 H new ATOM 0 HA TYR A 35 -12.261 -1.509 -13.320 1.00 13.20 H new ATOM 0 HB2 TYR A 35 -11.702 -1.799 -10.370 1.00 13.25 H new ATOM 0 HB3 TYR A 35 -12.661 -0.444 -10.931 1.00 13.25 H new ATOM 0 HD1 TYR A 35 -14.285 -1.639 -13.095 1.00 16.05 H new ATOM 0 HD2 TYR A 35 -13.193 -3.255 -9.307 1.00 16.35 H new ATOM 0 HE1 TYR A 35 -16.291 -3.054 -13.120 1.00 16.85 H new ATOM 0 HE2 TYR A 35 -15.195 -4.676 -9.338 1.00 17.14 H new ATOM 0 HH TYR A 35 -16.976 -5.323 -12.026 1.00 18.28 H new ATOM 457 N GLN A 36 -11.304 0.796 -13.343 1.00 12.79 N ATOM 458 CA GLN A 36 -10.665 2.094 -13.502 1.00 12.57 C ATOM 459 C GLN A 36 -10.979 2.960 -12.286 1.00 11.54 C ATOM 460 O GLN A 36 -12.018 2.778 -11.655 1.00 11.22 O ATOM 461 CB GLN A 36 -11.159 2.785 -14.779 1.00 13.45 C ATOM 462 CG GLN A 36 -11.018 1.945 -16.039 1.00 14.56 C ATOM 463 CD GLN A 36 -9.586 1.540 -16.321 1.00 15.07 C ATOM 464 OE1 GLN A 36 -9.212 0.345 -15.896 1.00 15.22 O flip ATOM 465 NE2 GLN A 36 -8.826 2.291 -16.930 1.00 15.48 N flip ATOM 0 H GLN A 36 -12.172 0.686 -13.868 1.00 12.79 H new ATOM 0 HA GLN A 36 -9.587 1.953 -13.584 1.00 12.57 H new ATOM 0 HB2 GLN A 36 -12.208 3.053 -14.651 1.00 13.45 H new ATOM 0 HB3 GLN A 36 -10.606 3.715 -14.912 1.00 13.45 H new ATOM 0 HG2 GLN A 36 -11.631 1.049 -15.943 1.00 14.56 H new ATOM 0 HG3 GLN A 36 -11.405 2.507 -16.889 1.00 14.56 H new ATOM 0 HE21 GLN A 36 -9.154 3.206 -17.241 1.00 15.48 H new ATOM 0 HE22 GLN A 36 -7.868 1.999 -17.124 1.00 15.48 H new ATOM 474 N PRO A 37 -10.098 3.910 -11.939 1.00 11.14 N ATOM 475 CA PRO A 37 -10.307 4.795 -10.787 1.00 10.29 C ATOM 476 C PRO A 37 -11.654 5.510 -10.847 1.00 10.51 C ATOM 477 O PRO A 37 -12.340 5.663 -9.835 1.00 10.47 O ATOM 478 CB PRO A 37 -9.160 5.802 -10.892 1.00 10.16 C ATOM 479 CG PRO A 37 -8.105 5.095 -11.668 1.00 10.93 C ATOM 480 CD PRO A 37 -8.830 4.200 -12.633 1.00 11.63 C ATOM 0 HA PRO A 37 -10.317 4.244 -9.847 1.00 10.29 H new ATOM 0 HB2 PRO A 37 -9.479 6.714 -11.397 1.00 10.16 H new ATOM 0 HB3 PRO A 37 -8.798 6.094 -9.906 1.00 10.16 H new ATOM 0 HG2 PRO A 37 -7.468 5.804 -12.197 1.00 10.93 H new ATOM 0 HG3 PRO A 37 -7.458 4.516 -11.009 1.00 10.93 H new ATOM 0 HD2 PRO A 37 -8.999 4.693 -13.590 1.00 11.63 H new ATOM 0 HD3 PRO A 37 -8.267 3.290 -12.839 1.00 11.63 H new ATOM 488 N GLN A 38 -12.041 5.914 -12.050 1.00 10.92 N ATOM 489 CA GLN A 38 -13.295 6.622 -12.269 1.00 11.42 C ATOM 490 C GLN A 38 -14.503 5.715 -12.032 1.00 11.86 C ATOM 491 O GLN A 38 -15.626 6.196 -11.868 1.00 12.08 O ATOM 492 CB GLN A 38 -13.334 7.199 -13.686 1.00 12.31 C ATOM 493 CG GLN A 38 -12.199 8.174 -13.973 1.00 12.40 C ATOM 494 CD GLN A 38 -10.974 7.500 -14.569 1.00 12.97 C ATOM 495 OE1 GLN A 38 -10.759 6.299 -14.397 1.00 13.31 O ATOM 496 NE2 GLN A 38 -10.154 8.270 -15.261 1.00 13.23 N ATOM 0 H GLN A 38 -11.496 5.761 -12.899 1.00 10.92 H new ATOM 0 HA GLN A 38 -13.348 7.438 -11.548 1.00 11.42 H new ATOM 0 HB2 GLN A 38 -13.291 6.381 -14.405 1.00 12.31 H new ATOM 0 HB3 GLN A 38 -14.287 7.707 -13.838 1.00 12.31 H new ATOM 0 HG2 GLN A 38 -12.553 8.944 -14.659 1.00 12.40 H new ATOM 0 HG3 GLN A 38 -11.916 8.677 -13.048 1.00 12.40 H new ATOM 0 HE21 GLN A 38 -10.365 9.261 -15.382 1.00 13.23 H new ATOM 0 HE22 GLN A 38 -9.310 7.874 -15.674 1.00 13.23 H new ATOM 505 N GLU A 39 -14.273 4.407 -12.012 1.00 12.10 N ATOM 506 CA GLU A 39 -15.346 3.450 -11.773 1.00 12.60 C ATOM 507 C GLU A 39 -15.603 3.322 -10.278 1.00 12.14 C ATOM 508 O GLU A 39 -16.691 2.935 -9.853 1.00 12.03 O ATOM 509 CB GLU A 39 -15.002 2.078 -12.358 1.00 13.06 C ATOM 510 CG GLU A 39 -15.013 2.034 -13.875 1.00 14.17 C ATOM 511 CD GLU A 39 -14.801 0.635 -14.417 1.00 16.63 C ATOM 512 OE1 GLU A 39 -13.634 0.244 -14.614 1.00 16.43 O ATOM 513 OE2 GLU A 39 -15.800 -0.075 -14.662 1.00 17.34 O ATOM 0 H GLU A 39 -13.355 3.986 -12.158 1.00 12.10 H new ATOM 0 HA GLU A 39 -16.245 3.818 -12.268 1.00 12.60 H new ATOM 0 HB2 GLU A 39 -14.015 1.780 -12.003 1.00 13.06 H new ATOM 0 HB3 GLU A 39 -15.713 1.344 -11.978 1.00 13.06 H new ATOM 0 HG2 GLU A 39 -15.965 2.421 -14.239 1.00 14.17 H new ATOM 0 HG3 GLU A 39 -14.233 2.691 -14.260 1.00 14.17 H new ATOM 520 N LEU A 40 -14.591 3.653 -9.486 1.00 12.04 N ATOM 521 CA LEU A 40 -14.702 3.585 -8.038 1.00 11.75 C ATOM 522 C LEU A 40 -15.143 4.932 -7.478 1.00 11.42 C ATOM 523 O LEU A 40 -15.834 4.996 -6.464 1.00 11.04 O ATOM 524 CB LEU A 40 -13.370 3.173 -7.401 1.00 11.89 C ATOM 525 CG LEU A 40 -13.005 1.685 -7.504 1.00 12.41 C ATOM 526 CD1 LEU A 40 -14.237 0.807 -7.346 1.00 12.70 C ATOM 527 CD2 LEU A 40 -12.295 1.396 -8.817 1.00 13.25 C ATOM 0 H LEU A 40 -13.683 3.972 -9.825 1.00 12.04 H new ATOM 0 HA LEU A 40 -15.450 2.830 -7.795 1.00 11.75 H new ATOM 0 HB2 LEU A 40 -12.573 3.755 -7.865 1.00 11.89 H new ATOM 0 HB3 LEU A 40 -13.394 3.448 -6.347 1.00 11.89 H new ATOM 0 HG LEU A 40 -12.322 1.448 -6.689 1.00 12.41 H new ATOM 0 HD11 LEU A 40 -13.949 -0.241 -7.423 1.00 12.70 H new ATOM 0 HD12 LEU A 40 -14.690 0.988 -6.371 1.00 12.70 H new ATOM 0 HD13 LEU A 40 -14.956 1.044 -8.130 1.00 12.70 H new ATOM 0 HD21 LEU A 40 -12.045 0.336 -8.870 1.00 13.25 H new ATOM 0 HD22 LEU A 40 -12.949 1.657 -9.649 1.00 13.25 H new ATOM 0 HD23 LEU A 40 -11.381 1.988 -8.874 1.00 13.25 H new ATOM 539 N LEU A 41 -14.728 6.007 -8.144 1.00 11.77 N ATOM 540 CA LEU A 41 -15.075 7.363 -7.724 1.00 11.76 C ATOM 541 C LEU A 41 -16.586 7.539 -7.594 1.00 12.25 C ATOM 542 O LEU A 41 -17.326 7.374 -8.564 1.00 12.72 O ATOM 543 CB LEU A 41 -14.528 8.384 -8.726 1.00 12.25 C ATOM 544 CG LEU A 41 -13.004 8.520 -8.758 1.00 12.23 C ATOM 545 CD1 LEU A 41 -12.579 9.495 -9.847 1.00 12.99 C ATOM 546 CD2 LEU A 41 -12.486 8.977 -7.406 1.00 11.79 C ATOM 0 H LEU A 41 -14.148 5.965 -8.982 1.00 11.77 H new ATOM 0 HA LEU A 41 -14.624 7.530 -6.746 1.00 11.76 H new ATOM 0 HB2 LEU A 41 -14.872 8.110 -9.723 1.00 12.25 H new ATOM 0 HB3 LEU A 41 -14.958 9.359 -8.497 1.00 12.25 H new ATOM 0 HG LEU A 41 -12.574 7.544 -8.982 1.00 12.23 H new ATOM 0 HD11 LEU A 41 -11.492 9.580 -9.856 1.00 12.99 H new ATOM 0 HD12 LEU A 41 -12.922 9.131 -10.815 1.00 12.99 H new ATOM 0 HD13 LEU A 41 -13.018 10.473 -9.651 1.00 12.99 H new ATOM 0 HD21 LEU A 41 -11.401 9.069 -7.444 1.00 11.79 H new ATOM 0 HD22 LEU A 41 -12.924 9.944 -7.156 1.00 11.79 H new ATOM 0 HD23 LEU A 41 -12.761 8.247 -6.645 1.00 11.79 H new ATOM 558 N GLY A 42 -17.034 7.863 -6.389 1.00 12.24 N ATOM 559 CA GLY A 42 -18.451 8.063 -6.151 1.00 12.82 C ATOM 560 C GLY A 42 -19.189 6.772 -5.848 1.00 13.07 C ATOM 561 O GLY A 42 -20.413 6.766 -5.719 1.00 13.39 O ATOM 0 H GLY A 42 -16.440 7.991 -5.569 1.00 12.24 H new ATOM 0 HA2 GLY A 42 -18.580 8.753 -5.317 1.00 12.82 H new ATOM 0 HA3 GLY A 42 -18.898 8.534 -7.027 1.00 12.82 H new ATOM 565 N LYS A 43 -18.457 5.677 -5.739 1.00 13.04 N ATOM 566 CA LYS A 43 -19.059 4.383 -5.452 1.00 13.33 C ATOM 567 C LYS A 43 -18.603 3.871 -4.093 1.00 12.82 C ATOM 568 O LYS A 43 -17.567 4.295 -3.576 1.00 13.01 O ATOM 569 CB LYS A 43 -18.689 3.371 -6.540 1.00 13.98 C ATOM 570 CG LYS A 43 -19.422 3.580 -7.857 1.00 15.04 C ATOM 571 CD LYS A 43 -20.796 2.923 -7.851 1.00 15.77 C ATOM 572 CE LYS A 43 -21.864 3.854 -7.297 1.00 16.37 C ATOM 573 NZ LYS A 43 -23.170 3.162 -7.135 1.00 16.87 N ATOM 0 H LYS A 43 -17.443 5.656 -5.845 1.00 13.04 H new ATOM 0 HA LYS A 43 -20.142 4.506 -5.435 1.00 13.33 H new ATOM 0 HB2 LYS A 43 -17.616 3.425 -6.721 1.00 13.98 H new ATOM 0 HB3 LYS A 43 -18.901 2.366 -6.174 1.00 13.98 H new ATOM 0 HG2 LYS A 43 -19.531 4.648 -8.047 1.00 15.04 H new ATOM 0 HG3 LYS A 43 -18.827 3.170 -8.673 1.00 15.04 H new ATOM 0 HD2 LYS A 43 -21.062 2.627 -8.866 1.00 15.77 H new ATOM 0 HD3 LYS A 43 -20.761 2.013 -7.253 1.00 15.77 H new ATOM 0 HE2 LYS A 43 -21.539 4.247 -6.334 1.00 16.37 H new ATOM 0 HE3 LYS A 43 -21.985 4.707 -7.965 1.00 16.37 H new ATOM 0 HZ1 LYS A 43 -23.788 3.726 -6.517 1.00 16.87 H new ATOM 0 HZ2 LYS A 43 -23.621 3.049 -8.065 1.00 16.87 H new ATOM 0 HZ3 LYS A 43 -23.016 2.226 -6.709 1.00 16.87 H new ATOM 587 N ASN A 44 -19.383 2.973 -3.514 1.00 12.28 N ATOM 588 CA ASN A 44 -19.054 2.396 -2.220 1.00 11.87 C ATOM 589 C ASN A 44 -18.265 1.112 -2.418 1.00 11.67 C ATOM 590 O ASN A 44 -18.626 0.276 -3.244 1.00 11.82 O ATOM 591 CB ASN A 44 -20.319 2.092 -1.408 1.00 11.97 C ATOM 592 CG ASN A 44 -21.124 3.330 -1.065 1.00 12.28 C ATOM 593 OD1 ASN A 44 -21.967 3.768 -1.845 1.00 12.50 O ATOM 594 ND2 ASN A 44 -20.898 3.890 0.113 1.00 12.46 N ATOM 0 H ASN A 44 -20.252 2.626 -3.921 1.00 12.28 H new ATOM 0 HA ASN A 44 -18.456 3.122 -1.669 1.00 11.87 H new ATOM 0 HB2 ASN A 44 -20.948 1.403 -1.972 1.00 11.97 H new ATOM 0 HB3 ASN A 44 -20.037 1.584 -0.486 1.00 11.97 H new ATOM 0 HD21 ASN A 44 -21.431 4.711 0.398 1.00 12.46 H new ATOM 0 HD22 ASN A 44 -20.191 3.500 0.736 1.00 12.46 H new ATOM 601 N ILE A 45 -17.189 0.961 -1.661 1.00 11.52 N ATOM 602 CA ILE A 45 -16.346 -0.229 -1.739 1.00 11.55 C ATOM 603 C ILE A 45 -17.155 -1.507 -1.486 1.00 11.53 C ATOM 604 O ILE A 45 -16.866 -2.561 -2.049 1.00 11.49 O ATOM 605 CB ILE A 45 -15.169 -0.137 -0.734 1.00 11.20 C ATOM 606 CG1 ILE A 45 -14.349 -1.432 -0.728 1.00 11.40 C ATOM 607 CG2 ILE A 45 -15.682 0.190 0.660 1.00 11.02 C ATOM 608 CD1 ILE A 45 -13.066 -1.339 0.074 1.00 11.72 C ATOM 0 H ILE A 45 -16.875 1.652 -0.980 1.00 11.52 H new ATOM 0 HA ILE A 45 -15.943 -0.277 -2.750 1.00 11.55 H new ATOM 0 HB ILE A 45 -14.511 0.671 -1.053 1.00 11.20 H new ATOM 0 HG12 ILE A 45 -14.962 -2.237 -0.324 1.00 11.40 H new ATOM 0 HG13 ILE A 45 -14.106 -1.702 -1.756 1.00 11.40 H new ATOM 0 HG21 ILE A 45 -14.842 0.251 1.352 1.00 11.02 H new ATOM 0 HG22 ILE A 45 -16.205 1.146 0.640 1.00 11.02 H new ATOM 0 HG23 ILE A 45 -16.367 -0.592 0.988 1.00 11.02 H new ATOM 0 HD11 ILE A 45 -12.540 -2.293 0.032 1.00 11.72 H new ATOM 0 HD12 ILE A 45 -12.432 -0.557 -0.343 1.00 11.72 H new ATOM 0 HD13 ILE A 45 -13.302 -1.101 1.111 1.00 11.72 H new ATOM 620 N VAL A 46 -18.199 -1.390 -0.674 1.00 11.77 N ATOM 621 CA VAL A 46 -19.046 -2.527 -0.337 1.00 11.99 C ATOM 622 C VAL A 46 -19.898 -2.977 -1.534 1.00 12.29 C ATOM 623 O VAL A 46 -20.398 -4.103 -1.562 1.00 12.37 O ATOM 624 CB VAL A 46 -19.954 -2.193 0.871 1.00 12.37 C ATOM 625 CG1 VAL A 46 -21.118 -1.305 0.459 1.00 12.89 C ATOM 626 CG2 VAL A 46 -20.456 -3.461 1.539 1.00 12.52 C ATOM 0 H VAL A 46 -18.480 -0.513 -0.235 1.00 11.77 H new ATOM 0 HA VAL A 46 -18.388 -3.353 -0.067 1.00 11.99 H new ATOM 0 HB VAL A 46 -19.352 -1.641 1.593 1.00 12.37 H new ATOM 0 HG11 VAL A 46 -21.737 -1.089 1.330 1.00 12.89 H new ATOM 0 HG12 VAL A 46 -20.735 -0.372 0.045 1.00 12.89 H new ATOM 0 HG13 VAL A 46 -21.718 -1.817 -0.294 1.00 12.89 H new ATOM 0 HG21 VAL A 46 -21.092 -3.199 2.385 1.00 12.52 H new ATOM 0 HG22 VAL A 46 -21.030 -4.048 0.822 1.00 12.52 H new ATOM 0 HG23 VAL A 46 -19.607 -4.047 1.891 1.00 12.52 H new ATOM 636 N GLU A 47 -20.038 -2.104 -2.530 1.00 12.64 N ATOM 637 CA GLU A 47 -20.824 -2.424 -3.720 1.00 13.14 C ATOM 638 C GLU A 47 -20.085 -3.434 -4.590 1.00 12.83 C ATOM 639 O GLU A 47 -20.698 -4.292 -5.223 1.00 12.91 O ATOM 640 CB GLU A 47 -21.120 -1.160 -4.534 1.00 14.14 C ATOM 641 CG GLU A 47 -22.003 -0.151 -3.814 1.00 14.73 C ATOM 642 CD GLU A 47 -22.356 1.042 -4.682 1.00 15.67 C ATOM 643 OE1 GLU A 47 -23.309 0.942 -5.481 1.00 16.53 O ATOM 644 OE2 GLU A 47 -21.690 2.089 -4.567 1.00 15.65 O ATOM 0 H GLU A 47 -19.620 -1.174 -2.537 1.00 12.64 H new ATOM 0 HA GLU A 47 -21.769 -2.858 -3.392 1.00 13.14 H new ATOM 0 HB2 GLU A 47 -20.177 -0.680 -4.796 1.00 14.14 H new ATOM 0 HB3 GLU A 47 -21.602 -1.447 -5.469 1.00 14.14 H new ATOM 0 HG2 GLU A 47 -22.920 -0.643 -3.489 1.00 14.73 H new ATOM 0 HG3 GLU A 47 -21.493 0.197 -2.916 1.00 14.73 H new ATOM 651 N PHE A 48 -18.764 -3.327 -4.603 1.00 12.62 N ATOM 652 CA PHE A 48 -17.927 -4.223 -5.391 1.00 12.47 C ATOM 653 C PHE A 48 -17.340 -5.317 -4.503 1.00 11.91 C ATOM 654 O PHE A 48 -16.334 -5.940 -4.840 1.00 11.81 O ATOM 655 CB PHE A 48 -16.797 -3.442 -6.068 1.00 12.62 C ATOM 656 CG PHE A 48 -17.267 -2.302 -6.932 1.00 14.11 C ATOM 657 CD1 PHE A 48 -17.490 -1.047 -6.390 1.00 14.61 C ATOM 658 CD2 PHE A 48 -17.476 -2.485 -8.291 1.00 14.39 C ATOM 659 CE1 PHE A 48 -17.914 0.002 -7.183 1.00 15.34 C ATOM 660 CE2 PHE A 48 -17.898 -1.439 -9.090 1.00 15.13 C ATOM 661 CZ PHE A 48 -18.119 -0.196 -8.536 1.00 14.85 C ATOM 0 H PHE A 48 -18.246 -2.625 -4.074 1.00 12.62 H new ATOM 0 HA PHE A 48 -18.547 -4.684 -6.160 1.00 12.47 H new ATOM 0 HB2 PHE A 48 -16.130 -3.050 -5.300 1.00 12.62 H new ATOM 0 HB3 PHE A 48 -16.211 -4.129 -6.679 1.00 12.62 H new ATOM 0 HD1 PHE A 48 -17.330 -0.886 -5.334 1.00 14.61 H new ATOM 0 HD2 PHE A 48 -17.307 -3.457 -8.730 1.00 14.39 H new ATOM 0 HE1 PHE A 48 -18.085 0.975 -6.747 1.00 15.34 H new ATOM 0 HE2 PHE A 48 -18.054 -1.595 -10.147 1.00 15.13 H new ATOM 0 HZ PHE A 48 -18.452 0.622 -9.158 1.00 14.85 H new ATOM 671 N CYS A 49 -17.982 -5.544 -3.370 1.00 11.77 N ATOM 672 CA CYS A 49 -17.530 -6.548 -2.420 1.00 11.49 C ATOM 673 C CYS A 49 -18.464 -7.750 -2.421 1.00 11.83 C ATOM 674 O CYS A 49 -19.653 -7.620 -2.722 1.00 11.97 O ATOM 675 CB CYS A 49 -17.463 -5.935 -1.019 1.00 11.25 C ATOM 676 SG CYS A 49 -17.210 -7.131 0.316 1.00 11.37 S ATOM 0 H CYS A 49 -18.823 -5.043 -3.084 1.00 11.77 H new ATOM 0 HA CYS A 49 -16.537 -6.888 -2.715 1.00 11.49 H new ATOM 0 HB2 CYS A 49 -16.653 -5.206 -0.994 1.00 11.25 H new ATOM 0 HB3 CYS A 49 -18.388 -5.390 -0.830 1.00 11.25 H new ATOM 0 HG CYS A 49 -15.946 -7.423 0.403 1.00 11.37 H new ATOM 682 N HIS A 50 -17.908 -8.922 -2.115 1.00 12.10 N ATOM 683 CA HIS A 50 -18.678 -10.160 -2.045 1.00 12.66 C ATOM 684 C HIS A 50 -19.825 -9.977 -1.055 1.00 12.75 C ATOM 685 O HIS A 50 -19.594 -9.533 0.066 1.00 12.20 O ATOM 686 CB HIS A 50 -17.764 -11.302 -1.580 1.00 13.24 C ATOM 687 CG HIS A 50 -18.093 -12.652 -2.147 1.00 13.78 C ATOM 688 ND1 HIS A 50 -18.755 -13.009 -3.272 1.00 14.15 N flip ATOM 689 CD2 HIS A 50 -17.688 -13.830 -1.556 1.00 14.13 C flip ATOM 690 CE1 HIS A 50 -18.732 -14.380 -3.343 1.00 14.67 C flip ATOM 691 NE2 HIS A 50 -18.084 -14.850 -2.296 1.00 14.65 N flip ATOM 0 H HIS A 50 -16.916 -9.038 -1.910 1.00 12.10 H new ATOM 0 HA HIS A 50 -19.082 -10.404 -3.028 1.00 12.66 H new ATOM 0 HB2 HIS A 50 -16.736 -11.055 -1.845 1.00 13.24 H new ATOM 0 HB3 HIS A 50 -17.807 -11.361 -0.492 1.00 13.24 H new ATOM 0 HD2 HIS A 50 -17.134 -13.907 -0.632 1.00 14.13 H new ATOM 0 HE1 HIS A 50 -19.173 -14.976 -4.128 1.00 14.67 H new ATOM 0 HE2 HIS A 50 -17.917 -15.835 -2.092 1.00 14.65 H new ATOM 700 N PRO A 51 -21.069 -10.285 -1.456 1.00 13.57 N ATOM 701 CA PRO A 51 -22.242 -10.141 -0.587 1.00 13.93 C ATOM 702 C PRO A 51 -22.051 -10.798 0.782 1.00 14.09 C ATOM 703 O PRO A 51 -22.429 -10.236 1.810 1.00 14.26 O ATOM 704 CB PRO A 51 -23.374 -10.832 -1.365 1.00 14.93 C ATOM 705 CG PRO A 51 -22.726 -11.502 -2.534 1.00 15.15 C ATOM 706 CD PRO A 51 -21.441 -10.772 -2.789 1.00 14.35 C ATOM 0 HA PRO A 51 -22.444 -9.092 -0.368 1.00 13.93 H new ATOM 0 HB2 PRO A 51 -23.891 -11.558 -0.738 1.00 14.93 H new ATOM 0 HB3 PRO A 51 -24.119 -10.108 -1.695 1.00 14.93 H new ATOM 0 HG2 PRO A 51 -22.538 -12.555 -2.322 1.00 15.15 H new ATOM 0 HG3 PRO A 51 -23.373 -11.464 -3.410 1.00 15.15 H new ATOM 0 HD2 PRO A 51 -20.679 -11.430 -3.206 1.00 14.35 H new ATOM 0 HD3 PRO A 51 -21.575 -9.953 -3.495 1.00 14.35 H new ATOM 714 N GLU A 52 -21.441 -11.974 0.793 1.00 14.17 N ATOM 715 CA GLU A 52 -21.200 -12.702 2.033 1.00 14.44 C ATOM 716 C GLU A 52 -20.048 -12.086 2.825 1.00 13.87 C ATOM 717 O GLU A 52 -19.872 -12.381 4.006 1.00 14.17 O ATOM 718 CB GLU A 52 -20.891 -14.173 1.738 1.00 15.45 C ATOM 719 CG GLU A 52 -21.831 -14.816 0.732 1.00 16.21 C ATOM 720 CD GLU A 52 -21.293 -14.761 -0.682 1.00 16.09 C ATOM 721 OE1 GLU A 52 -20.922 -13.663 -1.140 1.00 15.73 O ATOM 722 OE2 GLU A 52 -21.232 -15.821 -1.341 1.00 16.47 O ATOM 0 H GLU A 52 -21.102 -12.447 -0.045 1.00 14.17 H new ATOM 0 HA GLU A 52 -22.107 -12.636 2.635 1.00 14.44 H new ATOM 0 HB2 GLU A 52 -19.870 -14.251 1.366 1.00 15.45 H new ATOM 0 HB3 GLU A 52 -20.934 -14.736 2.670 1.00 15.45 H new ATOM 0 HG2 GLU A 52 -22.002 -15.855 1.012 1.00 16.21 H new ATOM 0 HG3 GLU A 52 -22.797 -14.313 0.769 1.00 16.21 H new ATOM 729 N ASP A 53 -19.272 -11.227 2.175 1.00 13.16 N ATOM 730 CA ASP A 53 -18.130 -10.578 2.820 1.00 12.70 C ATOM 731 C ASP A 53 -18.450 -9.133 3.183 1.00 12.63 C ATOM 732 O ASP A 53 -17.656 -8.462 3.844 1.00 12.77 O ATOM 733 CB ASP A 53 -16.904 -10.595 1.902 1.00 12.21 C ATOM 734 CG ASP A 53 -16.174 -11.920 1.902 1.00 12.39 C ATOM 735 OD1 ASP A 53 -16.052 -12.545 2.977 1.00 11.90 O ATOM 736 OD2 ASP A 53 -15.704 -12.338 0.822 1.00 13.14 O ATOM 0 H ASP A 53 -19.411 -10.961 1.200 1.00 13.16 H new ATOM 0 HA ASP A 53 -17.914 -11.138 3.730 1.00 12.70 H new ATOM 0 HB2 ASP A 53 -17.217 -10.361 0.885 1.00 12.21 H new ATOM 0 HB3 ASP A 53 -16.216 -9.809 2.212 1.00 12.21 H new ATOM 741 N GLN A 54 -19.615 -8.664 2.749 1.00 12.56 N ATOM 742 CA GLN A 54 -20.046 -7.293 3.008 1.00 12.69 C ATOM 743 C GLN A 54 -20.062 -6.989 4.503 1.00 12.06 C ATOM 744 O GLN A 54 -19.622 -5.921 4.931 1.00 11.70 O ATOM 745 CB GLN A 54 -21.430 -7.047 2.406 1.00 13.60 C ATOM 746 CG GLN A 54 -21.411 -6.865 0.896 1.00 14.35 C ATOM 747 CD GLN A 54 -22.755 -6.441 0.342 1.00 15.27 C ATOM 748 OE1 GLN A 54 -23.804 -6.808 0.875 1.00 15.83 O ATOM 749 NE2 GLN A 54 -22.732 -5.657 -0.723 1.00 15.52 N ATOM 0 H GLN A 54 -20.283 -9.217 2.212 1.00 12.56 H new ATOM 0 HA GLN A 54 -19.328 -6.623 2.535 1.00 12.69 H new ATOM 0 HB2 GLN A 54 -22.080 -7.886 2.655 1.00 13.60 H new ATOM 0 HB3 GLN A 54 -21.865 -6.159 2.866 1.00 13.60 H new ATOM 0 HG2 GLN A 54 -20.662 -6.118 0.634 1.00 14.35 H new ATOM 0 HG3 GLN A 54 -21.107 -7.800 0.425 1.00 14.35 H new ATOM 0 HE21 GLN A 54 -21.840 -5.378 -1.132 1.00 15.52 H new ATOM 0 HE22 GLN A 54 -23.606 -5.332 -1.136 1.00 15.52 H new ATOM 758 N GLN A 55 -20.558 -7.934 5.293 1.00 12.07 N ATOM 759 CA GLN A 55 -20.618 -7.757 6.736 1.00 11.64 C ATOM 760 C GLN A 55 -19.213 -7.661 7.319 1.00 11.18 C ATOM 761 O GLN A 55 -18.937 -6.798 8.146 1.00 11.47 O ATOM 762 CB GLN A 55 -21.384 -8.904 7.396 1.00 12.30 C ATOM 763 CG GLN A 55 -21.668 -8.666 8.872 1.00 13.09 C ATOM 764 CD GLN A 55 -22.370 -7.343 9.126 1.00 13.56 C ATOM 765 OE1 GLN A 55 -23.152 -6.870 8.298 1.00 13.71 O ATOM 766 NE2 GLN A 55 -22.086 -6.731 10.263 1.00 13.94 N ATOM 0 H GLN A 55 -20.923 -8.826 4.959 1.00 12.07 H new ATOM 0 HA GLN A 55 -21.149 -6.827 6.940 1.00 11.64 H new ATOM 0 HB2 GLN A 55 -22.328 -9.052 6.871 1.00 12.30 H new ATOM 0 HB3 GLN A 55 -20.811 -9.825 7.287 1.00 12.30 H new ATOM 0 HG2 GLN A 55 -22.284 -9.479 9.255 1.00 13.09 H new ATOM 0 HG3 GLN A 55 -20.730 -8.688 9.427 1.00 13.09 H new ATOM 0 HE21 GLN A 55 -21.433 -7.156 10.922 1.00 13.94 H new ATOM 0 HE22 GLN A 55 -22.520 -5.834 10.481 1.00 13.94 H new ATOM 775 N LEU A 56 -18.338 -8.554 6.877 1.00 10.67 N ATOM 776 CA LEU A 56 -16.952 -8.575 7.332 1.00 10.41 C ATOM 777 C LEU A 56 -16.264 -7.254 7.009 1.00 9.74 C ATOM 778 O LEU A 56 -15.531 -6.705 7.835 1.00 10.08 O ATOM 779 CB LEU A 56 -16.203 -9.733 6.668 1.00 10.70 C ATOM 780 CG LEU A 56 -14.755 -9.934 7.121 1.00 11.52 C ATOM 781 CD1 LEU A 56 -14.705 -10.469 8.545 1.00 12.11 C ATOM 782 CD2 LEU A 56 -14.036 -10.877 6.173 1.00 11.94 C ATOM 0 H LEU A 56 -18.565 -9.280 6.198 1.00 10.67 H new ATOM 0 HA LEU A 56 -16.942 -8.716 8.413 1.00 10.41 H new ATOM 0 HB2 LEU A 56 -16.755 -10.654 6.857 1.00 10.70 H new ATOM 0 HB3 LEU A 56 -16.208 -9.574 5.590 1.00 10.70 H new ATOM 0 HG LEU A 56 -14.250 -8.968 7.104 1.00 11.52 H new ATOM 0 HD11 LEU A 56 -13.666 -10.604 8.847 1.00 12.11 H new ATOM 0 HD12 LEU A 56 -15.189 -9.760 9.217 1.00 12.11 H new ATOM 0 HD13 LEU A 56 -15.224 -11.426 8.593 1.00 12.11 H new ATOM 0 HD21 LEU A 56 -13.007 -11.012 6.505 1.00 11.94 H new ATOM 0 HD22 LEU A 56 -14.544 -11.841 6.164 1.00 11.94 H new ATOM 0 HD23 LEU A 56 -14.040 -10.455 5.168 1.00 11.94 H new ATOM 794 N LEU A 57 -16.515 -6.743 5.809 1.00 9.01 N ATOM 795 CA LEU A 57 -15.933 -5.481 5.375 1.00 8.57 C ATOM 796 C LEU A 57 -16.417 -4.335 6.257 1.00 8.01 C ATOM 797 O LEU A 57 -15.612 -3.608 6.840 1.00 7.76 O ATOM 798 CB LEU A 57 -16.292 -5.199 3.915 1.00 8.96 C ATOM 799 CG LEU A 57 -15.103 -5.074 2.960 1.00 9.22 C ATOM 800 CD1 LEU A 57 -15.506 -4.307 1.711 1.00 9.38 C ATOM 801 CD2 LEU A 57 -13.925 -4.398 3.648 1.00 9.71 C ATOM 0 H LEU A 57 -17.120 -7.186 5.118 1.00 9.01 H new ATOM 0 HA LEU A 57 -14.849 -5.560 5.464 1.00 8.57 H new ATOM 0 HB2 LEU A 57 -16.941 -5.998 3.557 1.00 8.96 H new ATOM 0 HB3 LEU A 57 -16.870 -4.276 3.872 1.00 8.96 H new ATOM 0 HG LEU A 57 -14.793 -6.077 2.666 1.00 9.22 H new ATOM 0 HD11 LEU A 57 -14.650 -4.226 1.041 1.00 9.38 H new ATOM 0 HD12 LEU A 57 -16.314 -4.835 1.205 1.00 9.38 H new ATOM 0 HD13 LEU A 57 -15.844 -3.309 1.990 1.00 9.38 H new ATOM 0 HD21 LEU A 57 -13.092 -4.320 2.950 1.00 9.71 H new ATOM 0 HD22 LEU A 57 -14.218 -3.401 3.976 1.00 9.71 H new ATOM 0 HD23 LEU A 57 -13.620 -4.989 4.512 1.00 9.71 H new ATOM 813 N ARG A 58 -17.735 -4.200 6.369 1.00 8.00 N ATOM 814 CA ARG A 58 -18.338 -3.145 7.175 1.00 7.77 C ATOM 815 C ARG A 58 -17.879 -3.239 8.627 1.00 7.79 C ATOM 816 O ARG A 58 -17.588 -2.226 9.267 1.00 7.99 O ATOM 817 CB ARG A 58 -19.861 -3.230 7.103 1.00 8.25 C ATOM 818 CG ARG A 58 -20.554 -1.986 7.622 1.00 8.49 C ATOM 819 CD ARG A 58 -22.060 -2.166 7.666 1.00 9.14 C ATOM 820 NE ARG A 58 -22.758 -0.901 7.876 1.00 9.67 N ATOM 821 CZ ARG A 58 -24.080 -0.761 7.812 1.00 10.46 C ATOM 822 NH1 ARG A 58 -24.858 -1.814 7.583 1.00 10.80 N ATOM 823 NH2 ARG A 58 -24.627 0.435 7.986 1.00 11.06 N ATOM 0 H ARG A 58 -18.409 -4.812 5.909 1.00 8.00 H new ATOM 0 HA ARG A 58 -18.015 -2.185 6.773 1.00 7.77 H new ATOM 0 HB2 ARG A 58 -20.160 -3.400 6.069 1.00 8.25 H new ATOM 0 HB3 ARG A 58 -20.198 -4.092 7.678 1.00 8.25 H new ATOM 0 HG2 ARG A 58 -20.185 -1.753 8.621 1.00 8.49 H new ATOM 0 HG3 ARG A 58 -20.306 -1.137 6.984 1.00 8.49 H new ATOM 0 HD2 ARG A 58 -22.398 -2.616 6.733 1.00 9.14 H new ATOM 0 HD3 ARG A 58 -22.319 -2.860 8.466 1.00 9.14 H new ATOM 0 HE ARG A 58 -22.198 -0.074 8.084 1.00 9.67 H new ATOM 0 HH11 ARG A 58 -24.443 -2.737 7.455 1.00 10.80 H new ATOM 0 HH12 ARG A 58 -25.870 -1.699 7.535 1.00 10.80 H new ATOM 0 HH21 ARG A 58 -24.035 1.245 8.168 1.00 11.06 H new ATOM 0 HH22 ARG A 58 -25.640 0.544 7.937 1.00 11.06 H new ATOM 837 N ASP A 59 -17.808 -4.461 9.135 1.00 7.90 N ATOM 838 CA ASP A 59 -17.375 -4.704 10.507 1.00 8.29 C ATOM 839 C ASP A 59 -15.956 -4.193 10.719 1.00 8.20 C ATOM 840 O ASP A 59 -15.656 -3.548 11.723 1.00 8.39 O ATOM 841 CB ASP A 59 -17.441 -6.200 10.821 1.00 8.86 C ATOM 842 CG ASP A 59 -17.242 -6.503 12.291 1.00 9.31 C ATOM 843 OD1 ASP A 59 -16.080 -6.608 12.735 1.00 9.46 O ATOM 844 OD2 ASP A 59 -18.252 -6.660 13.008 1.00 9.71 O ATOM 0 H ASP A 59 -18.046 -5.306 8.615 1.00 7.90 H new ATOM 0 HA ASP A 59 -18.043 -4.167 11.180 1.00 8.29 H new ATOM 0 HB2 ASP A 59 -18.407 -6.591 10.502 1.00 8.86 H new ATOM 0 HB3 ASP A 59 -16.679 -6.722 10.241 1.00 8.86 H new ATOM 849 N SER A 60 -15.094 -4.466 9.750 1.00 8.16 N ATOM 850 CA SER A 60 -13.706 -4.038 9.818 1.00 8.37 C ATOM 851 C SER A 60 -13.588 -2.522 9.661 1.00 8.73 C ATOM 852 O SER A 60 -12.703 -1.898 10.249 1.00 9.52 O ATOM 853 CB SER A 60 -12.890 -4.751 8.741 1.00 8.66 C ATOM 854 OG SER A 60 -13.078 -6.155 8.816 1.00 8.89 O ATOM 0 H SER A 60 -15.334 -4.984 8.905 1.00 8.16 H new ATOM 0 HA SER A 60 -13.312 -4.303 10.799 1.00 8.37 H new ATOM 0 HB2 SER A 60 -13.187 -4.392 7.756 1.00 8.66 H new ATOM 0 HB3 SER A 60 -11.833 -4.514 8.862 1.00 8.66 H new ATOM 0 HG SER A 60 -13.898 -6.401 8.339 1.00 8.89 H new ATOM 860 N PHE A 61 -14.484 -1.932 8.876 1.00 8.33 N ATOM 861 CA PHE A 61 -14.475 -0.489 8.660 1.00 8.80 C ATOM 862 C PHE A 61 -14.707 0.246 9.969 1.00 8.83 C ATOM 863 O PHE A 61 -13.950 1.142 10.333 1.00 9.18 O ATOM 864 CB PHE A 61 -15.535 -0.079 7.636 1.00 9.15 C ATOM 865 CG PHE A 61 -15.145 -0.377 6.219 1.00 9.81 C ATOM 866 CD1 PHE A 61 -13.831 -0.236 5.808 1.00 10.30 C ATOM 867 CD2 PHE A 61 -16.091 -0.798 5.301 1.00 10.14 C ATOM 868 CE1 PHE A 61 -13.466 -0.507 4.506 1.00 11.11 C ATOM 869 CE2 PHE A 61 -15.732 -1.070 3.997 1.00 10.92 C ATOM 870 CZ PHE A 61 -14.418 -0.925 3.599 1.00 11.40 C ATOM 0 H PHE A 61 -15.224 -2.429 8.380 1.00 8.33 H new ATOM 0 HA PHE A 61 -13.495 -0.216 8.268 1.00 8.80 H new ATOM 0 HB2 PHE A 61 -16.468 -0.595 7.864 1.00 9.15 H new ATOM 0 HB3 PHE A 61 -15.729 0.989 7.734 1.00 9.15 H new ATOM 0 HD1 PHE A 61 -13.083 0.090 6.515 1.00 10.30 H new ATOM 0 HD2 PHE A 61 -17.120 -0.915 5.608 1.00 10.14 H new ATOM 0 HE1 PHE A 61 -12.437 -0.392 4.197 1.00 11.11 H new ATOM 0 HE2 PHE A 61 -16.478 -1.396 3.288 1.00 10.92 H new ATOM 0 HZ PHE A 61 -14.136 -1.139 2.579 1.00 11.40 H new ATOM 880 N GLN A 62 -15.747 -0.149 10.688 1.00 8.73 N ATOM 881 CA GLN A 62 -16.061 0.476 11.964 1.00 9.08 C ATOM 882 C GLN A 62 -14.977 0.138 12.983 1.00 9.26 C ATOM 883 O GLN A 62 -14.676 0.929 13.875 1.00 9.50 O ATOM 884 CB GLN A 62 -17.432 0.021 12.471 1.00 9.51 C ATOM 885 CG GLN A 62 -18.533 0.092 11.423 1.00 9.32 C ATOM 886 CD GLN A 62 -18.692 1.472 10.808 1.00 9.53 C ATOM 887 OE1 GLN A 62 -18.978 1.598 9.618 1.00 9.42 O ATOM 888 NE2 GLN A 62 -18.526 2.515 11.606 1.00 10.04 N ATOM 0 H GLN A 62 -16.385 -0.895 10.412 1.00 8.73 H new ATOM 0 HA GLN A 62 -16.096 1.557 11.825 1.00 9.08 H new ATOM 0 HB2 GLN A 62 -17.353 -1.005 12.831 1.00 9.51 H new ATOM 0 HB3 GLN A 62 -17.716 0.638 13.324 1.00 9.51 H new ATOM 0 HG2 GLN A 62 -18.319 -0.627 10.633 1.00 9.32 H new ATOM 0 HG3 GLN A 62 -19.478 -0.206 11.878 1.00 9.32 H new ATOM 0 HE21 GLN A 62 -18.289 2.373 12.588 1.00 10.04 H new ATOM 0 HE22 GLN A 62 -18.635 3.460 11.239 1.00 10.04 H new ATOM 897 N GLN A 63 -14.384 -1.040 12.822 1.00 9.36 N ATOM 898 CA GLN A 63 -13.319 -1.501 13.705 1.00 9.71 C ATOM 899 C GLN A 63 -12.100 -0.588 13.611 1.00 10.03 C ATOM 900 O GLN A 63 -11.532 -0.195 14.628 1.00 10.60 O ATOM 901 CB GLN A 63 -12.914 -2.932 13.348 1.00 9.50 C ATOM 902 CG GLN A 63 -13.260 -3.960 14.407 1.00 9.75 C ATOM 903 CD GLN A 63 -12.629 -5.309 14.121 1.00 9.97 C ATOM 904 OE1 GLN A 63 -11.500 -5.583 14.533 1.00 10.06 O ATOM 905 NE2 GLN A 63 -13.351 -6.162 13.410 1.00 10.30 N ATOM 0 H GLN A 63 -14.626 -1.698 12.081 1.00 9.36 H new ATOM 0 HA GLN A 63 -13.697 -1.477 14.727 1.00 9.71 H new ATOM 0 HB2 GLN A 63 -13.400 -3.212 12.413 1.00 9.50 H new ATOM 0 HB3 GLN A 63 -11.839 -2.959 13.169 1.00 9.50 H new ATOM 0 HG2 GLN A 63 -12.925 -3.603 15.381 1.00 9.75 H new ATOM 0 HG3 GLN A 63 -14.343 -4.071 14.463 1.00 9.75 H new ATOM 0 HE21 GLN A 63 -14.282 -5.897 13.087 1.00 10.30 H new ATOM 0 HE22 GLN A 63 -12.976 -7.084 13.185 1.00 10.30 H new ATOM 914 N VAL A 64 -11.711 -0.235 12.385 1.00 9.80 N ATOM 915 CA VAL A 64 -10.556 0.631 12.175 1.00 10.18 C ATOM 916 C VAL A 64 -10.837 2.040 12.703 1.00 10.37 C ATOM 917 O VAL A 64 -9.912 2.784 13.044 1.00 10.25 O ATOM 918 CB VAL A 64 -10.126 0.682 10.687 1.00 10.36 C ATOM 919 CG1 VAL A 64 -10.947 1.690 9.893 1.00 10.34 C ATOM 920 CG2 VAL A 64 -8.640 0.990 10.573 1.00 10.62 C ATOM 0 H VAL A 64 -12.177 -0.535 11.529 1.00 9.80 H new ATOM 0 HA VAL A 64 -9.725 0.203 12.736 1.00 10.18 H new ATOM 0 HB VAL A 64 -10.315 -0.301 10.256 1.00 10.36 H new ATOM 0 HG11 VAL A 64 -10.613 1.694 8.855 1.00 10.34 H new ATOM 0 HG12 VAL A 64 -12.001 1.414 9.934 1.00 10.34 H new ATOM 0 HG13 VAL A 64 -10.815 2.684 10.320 1.00 10.34 H new ATOM 0 HG21 VAL A 64 -8.355 1.022 9.521 1.00 10.62 H new ATOM 0 HG22 VAL A 64 -8.432 1.955 11.035 1.00 10.62 H new ATOM 0 HG23 VAL A 64 -8.068 0.214 11.081 1.00 10.62 H new ATOM 930 N VAL A 65 -12.118 2.392 12.777 1.00 10.88 N ATOM 931 CA VAL A 65 -12.527 3.690 13.294 1.00 11.34 C ATOM 932 C VAL A 65 -12.321 3.709 14.803 1.00 11.77 C ATOM 933 O VAL A 65 -11.890 4.710 15.377 1.00 11.90 O ATOM 934 CB VAL A 65 -14.010 3.994 12.966 1.00 11.81 C ATOM 935 CG1 VAL A 65 -14.472 5.274 13.645 1.00 12.41 C ATOM 936 CG2 VAL A 65 -14.216 4.091 11.460 1.00 11.68 C ATOM 0 H VAL A 65 -12.890 1.793 12.484 1.00 10.88 H new ATOM 0 HA VAL A 65 -11.918 4.458 12.817 1.00 11.34 H new ATOM 0 HB VAL A 65 -14.612 3.170 13.350 1.00 11.81 H new ATOM 0 HG11 VAL A 65 -15.517 5.461 13.396 1.00 12.41 H new ATOM 0 HG12 VAL A 65 -14.369 5.170 14.725 1.00 12.41 H new ATOM 0 HG13 VAL A 65 -13.862 6.109 13.301 1.00 12.41 H new ATOM 0 HG21 VAL A 65 -15.264 4.305 11.249 1.00 11.68 H new ATOM 0 HG22 VAL A 65 -13.594 4.891 11.059 1.00 11.68 H new ATOM 0 HG23 VAL A 65 -13.938 3.146 10.993 1.00 11.68 H new ATOM 946 N LYS A 66 -12.624 2.580 15.433 1.00 12.17 N ATOM 947 CA LYS A 66 -12.462 2.429 16.872 1.00 12.79 C ATOM 948 C LYS A 66 -10.982 2.307 17.214 1.00 12.52 C ATOM 949 O LYS A 66 -10.545 2.706 18.294 1.00 12.98 O ATOM 950 CB LYS A 66 -13.219 1.194 17.360 1.00 13.48 C ATOM 951 CG LYS A 66 -14.702 1.228 17.029 1.00 14.09 C ATOM 952 CD LYS A 66 -15.304 -0.168 16.988 1.00 14.62 C ATOM 953 CE LYS A 66 -15.533 -0.727 18.380 1.00 15.63 C ATOM 954 NZ LYS A 66 -16.331 -1.978 18.346 1.00 16.25 N ATOM 0 H LYS A 66 -12.986 1.750 14.964 1.00 12.17 H new ATOM 0 HA LYS A 66 -12.871 3.308 17.370 1.00 12.79 H new ATOM 0 HB2 LYS A 66 -12.775 0.304 16.914 1.00 13.48 H new ATOM 0 HB3 LYS A 66 -13.097 1.104 18.439 1.00 13.48 H new ATOM 0 HG2 LYS A 66 -15.227 1.828 17.772 1.00 14.09 H new ATOM 0 HG3 LYS A 66 -14.848 1.715 16.065 1.00 14.09 H new ATOM 0 HD2 LYS A 66 -16.250 -0.139 16.448 1.00 14.62 H new ATOM 0 HD3 LYS A 66 -14.641 -0.833 16.434 1.00 14.62 H new ATOM 0 HE2 LYS A 66 -14.572 -0.921 18.856 1.00 15.63 H new ATOM 0 HE3 LYS A 66 -16.047 0.016 18.990 1.00 15.63 H new ATOM 0 HZ1 LYS A 66 -16.467 -2.330 19.315 1.00 16.25 H new ATOM 0 HZ2 LYS A 66 -17.258 -1.787 17.914 1.00 16.25 H new ATOM 0 HZ3 LYS A 66 -15.829 -2.695 17.785 1.00 16.25 H new ATOM 968 N LEU A 67 -10.222 1.743 16.280 1.00 11.90 N ATOM 969 CA LEU A 67 -8.784 1.573 16.447 1.00 11.71 C ATOM 970 C LEU A 67 -8.086 2.926 16.431 1.00 11.44 C ATOM 971 O LEU A 67 -7.391 3.283 17.382 1.00 11.79 O ATOM 972 CB LEU A 67 -8.216 0.692 15.331 1.00 11.29 C ATOM 973 CG LEU A 67 -8.362 -0.815 15.547 1.00 11.71 C ATOM 974 CD1 LEU A 67 -7.966 -1.573 14.290 1.00 11.30 C ATOM 975 CD2 LEU A 67 -7.517 -1.270 16.729 1.00 12.66 C ATOM 0 H LEU A 67 -10.583 1.393 15.392 1.00 11.90 H new ATOM 0 HA LEU A 67 -8.607 1.089 17.408 1.00 11.71 H new ATOM 0 HB2 LEU A 67 -8.709 0.957 14.396 1.00 11.29 H new ATOM 0 HB3 LEU A 67 -7.158 0.924 15.211 1.00 11.29 H new ATOM 0 HG LEU A 67 -9.408 -1.031 15.767 1.00 11.71 H new ATOM 0 HD11 LEU A 67 -8.076 -2.644 14.461 1.00 11.30 H new ATOM 0 HD12 LEU A 67 -8.610 -1.270 13.464 1.00 11.30 H new ATOM 0 HD13 LEU A 67 -6.928 -1.350 14.042 1.00 11.30 H new ATOM 0 HD21 LEU A 67 -7.634 -2.345 16.867 1.00 12.66 H new ATOM 0 HD22 LEU A 67 -6.469 -1.041 16.537 1.00 12.66 H new ATOM 0 HD23 LEU A 67 -7.843 -0.751 17.630 1.00 12.66 H new ATOM 987 N LYS A 68 -8.283 3.666 15.337 1.00 11.01 N ATOM 988 CA LYS A 68 -7.690 4.993 15.160 1.00 10.94 C ATOM 989 C LYS A 68 -6.162 4.943 15.130 1.00 10.41 C ATOM 990 O LYS A 68 -5.504 5.158 16.148 1.00 10.69 O ATOM 991 CB LYS A 68 -8.149 5.950 16.262 1.00 11.97 C ATOM 992 CG LYS A 68 -9.464 6.644 15.968 1.00 12.39 C ATOM 993 CD LYS A 68 -9.750 7.725 16.993 1.00 13.41 C ATOM 994 CE LYS A 68 -10.857 8.652 16.525 1.00 13.95 C ATOM 995 NZ LYS A 68 -10.946 9.877 17.358 1.00 14.83 N ATOM 0 H LYS A 68 -8.857 3.362 14.550 1.00 11.01 H new ATOM 0 HA LYS A 68 -8.036 5.362 14.194 1.00 10.94 H new ATOM 0 HB2 LYS A 68 -8.244 5.395 17.195 1.00 11.97 H new ATOM 0 HB3 LYS A 68 -7.378 6.705 16.417 1.00 11.97 H new ATOM 0 HG2 LYS A 68 -9.433 7.083 14.971 1.00 12.39 H new ATOM 0 HG3 LYS A 68 -10.273 5.913 15.969 1.00 12.39 H new ATOM 0 HD2 LYS A 68 -10.034 7.265 17.940 1.00 13.41 H new ATOM 0 HD3 LYS A 68 -8.844 8.302 17.178 1.00 13.41 H new ATOM 0 HE2 LYS A 68 -10.681 8.932 15.486 1.00 13.95 H new ATOM 0 HE3 LYS A 68 -11.810 8.123 16.555 1.00 13.95 H new ATOM 0 HZ1 LYS A 68 -11.845 10.363 17.165 1.00 14.83 H new ATOM 0 HZ2 LYS A 68 -10.902 9.617 18.364 1.00 14.83 H new ATOM 0 HZ3 LYS A 68 -10.154 10.511 17.129 1.00 14.83 H new ATOM 1009 N GLY A 69 -5.602 4.646 13.965 1.00 9.80 N ATOM 1010 CA GLY A 69 -4.158 4.602 13.830 1.00 9.42 C ATOM 1011 C GLY A 69 -3.641 3.242 13.408 1.00 9.15 C ATOM 1012 O GLY A 69 -2.809 3.144 12.504 1.00 9.55 O ATOM 0 H GLY A 69 -6.120 4.435 13.112 1.00 9.80 H new ATOM 0 HA2 GLY A 69 -3.845 5.346 13.098 1.00 9.42 H new ATOM 0 HA3 GLY A 69 -3.702 4.878 14.781 1.00 9.42 H new ATOM 1016 N GLN A 70 -4.111 2.193 14.068 1.00 8.62 N ATOM 1017 CA GLN A 70 -3.680 0.842 13.741 1.00 8.50 C ATOM 1018 C GLN A 70 -4.266 0.401 12.407 1.00 7.86 C ATOM 1019 O GLN A 70 -5.444 0.627 12.127 1.00 7.96 O ATOM 1020 CB GLN A 70 -4.080 -0.147 14.842 1.00 8.66 C ATOM 1021 CG GLN A 70 -3.499 -1.541 14.644 1.00 9.04 C ATOM 1022 CD GLN A 70 -1.986 -1.532 14.531 1.00 8.99 C ATOM 1023 OE1 GLN A 70 -1.431 -1.357 13.445 1.00 8.60 O ATOM 1024 NE2 GLN A 70 -1.306 -1.734 15.647 1.00 9.59 N ATOM 0 H GLN A 70 -4.787 2.251 14.829 1.00 8.62 H new ATOM 0 HA GLN A 70 -2.593 0.849 13.664 1.00 8.50 H new ATOM 0 HB2 GLN A 70 -3.752 0.242 15.806 1.00 8.66 H new ATOM 0 HB3 GLN A 70 -5.167 -0.217 14.880 1.00 8.66 H new ATOM 0 HG2 GLN A 70 -3.793 -2.175 15.480 1.00 9.04 H new ATOM 0 HG3 GLN A 70 -3.924 -1.983 13.743 1.00 9.04 H new ATOM 0 HE21 GLN A 70 -1.801 -1.875 16.528 1.00 9.59 H new ATOM 0 HE22 GLN A 70 -0.286 -1.749 15.627 1.00 9.59 H new ATOM 1033 N VAL A 71 -3.429 -0.220 11.592 1.00 7.44 N ATOM 1034 CA VAL A 71 -3.845 -0.703 10.289 1.00 7.11 C ATOM 1035 C VAL A 71 -4.577 -2.037 10.429 1.00 6.68 C ATOM 1036 O VAL A 71 -4.056 -2.990 11.011 1.00 6.65 O ATOM 1037 CB VAL A 71 -2.639 -0.844 9.328 1.00 7.45 C ATOM 1038 CG1 VAL A 71 -1.534 -1.688 9.943 1.00 8.10 C ATOM 1039 CG2 VAL A 71 -3.074 -1.422 7.991 1.00 7.17 C ATOM 0 H VAL A 71 -2.450 -0.402 11.814 1.00 7.44 H new ATOM 0 HA VAL A 71 -4.527 0.031 9.860 1.00 7.11 H new ATOM 0 HB VAL A 71 -2.239 0.155 9.156 1.00 7.45 H new ATOM 0 HG11 VAL A 71 -0.703 -1.767 9.242 1.00 8.10 H new ATOM 0 HG12 VAL A 71 -1.188 -1.219 10.864 1.00 8.10 H new ATOM 0 HG13 VAL A 71 -1.917 -2.684 10.164 1.00 8.10 H new ATOM 0 HG21 VAL A 71 -2.209 -1.511 7.334 1.00 7.17 H new ATOM 0 HG22 VAL A 71 -3.514 -2.407 8.146 1.00 7.17 H new ATOM 0 HG23 VAL A 71 -3.811 -0.763 7.532 1.00 7.17 H new ATOM 1049 N LEU A 72 -5.796 -2.091 9.922 1.00 6.60 N ATOM 1050 CA LEU A 72 -6.591 -3.305 9.993 1.00 6.50 C ATOM 1051 C LEU A 72 -6.683 -3.965 8.624 1.00 6.09 C ATOM 1052 O LEU A 72 -7.337 -3.453 7.714 1.00 5.82 O ATOM 1053 CB LEU A 72 -7.989 -3.007 10.529 1.00 6.93 C ATOM 1054 CG LEU A 72 -8.808 -4.243 10.901 1.00 7.33 C ATOM 1055 CD1 LEU A 72 -8.113 -5.041 11.994 1.00 7.61 C ATOM 1056 CD2 LEU A 72 -10.200 -3.839 11.347 1.00 7.80 C ATOM 0 H LEU A 72 -6.257 -1.309 9.457 1.00 6.60 H new ATOM 0 HA LEU A 72 -6.097 -3.992 10.680 1.00 6.50 H new ATOM 0 HB2 LEU A 72 -7.898 -2.370 11.409 1.00 6.93 H new ATOM 0 HB3 LEU A 72 -8.537 -2.437 9.779 1.00 6.93 H new ATOM 0 HG LEU A 72 -8.894 -4.875 10.017 1.00 7.33 H new ATOM 0 HD11 LEU A 72 -8.713 -5.916 12.243 1.00 7.61 H new ATOM 0 HD12 LEU A 72 -7.132 -5.362 11.643 1.00 7.61 H new ATOM 0 HD13 LEU A 72 -7.995 -4.418 12.880 1.00 7.61 H new ATOM 0 HD21 LEU A 72 -10.771 -4.730 11.609 1.00 7.80 H new ATOM 0 HD22 LEU A 72 -10.128 -3.186 12.217 1.00 7.80 H new ATOM 0 HD23 LEU A 72 -10.703 -3.311 10.537 1.00 7.80 H new ATOM 1068 N SER A 73 -6.018 -5.095 8.486 1.00 6.37 N ATOM 1069 CA SER A 73 -6.010 -5.830 7.237 1.00 6.44 C ATOM 1070 C SER A 73 -7.166 -6.829 7.184 1.00 6.58 C ATOM 1071 O SER A 73 -7.171 -7.827 7.907 1.00 7.12 O ATOM 1072 CB SER A 73 -4.671 -6.552 7.082 1.00 7.06 C ATOM 1073 OG SER A 73 -3.609 -5.770 7.609 1.00 7.59 O ATOM 0 H SER A 73 -5.472 -5.527 9.231 1.00 6.37 H new ATOM 0 HA SER A 73 -6.139 -5.128 6.413 1.00 6.44 H new ATOM 0 HB2 SER A 73 -4.710 -7.513 7.595 1.00 7.06 H new ATOM 0 HB3 SER A 73 -4.486 -6.761 6.028 1.00 7.06 H new ATOM 0 HG SER A 73 -2.763 -6.252 7.501 1.00 7.59 H new ATOM 1079 N VAL A 74 -8.151 -6.545 6.348 1.00 6.36 N ATOM 1080 CA VAL A 74 -9.300 -7.422 6.196 1.00 6.77 C ATOM 1081 C VAL A 74 -9.186 -8.215 4.896 1.00 6.50 C ATOM 1082 O VAL A 74 -8.918 -7.651 3.834 1.00 6.07 O ATOM 1083 CB VAL A 74 -10.633 -6.628 6.229 1.00 7.13 C ATOM 1084 CG1 VAL A 74 -10.597 -5.450 5.265 1.00 6.85 C ATOM 1085 CG2 VAL A 74 -11.816 -7.538 5.926 1.00 7.84 C ATOM 0 H VAL A 74 -8.178 -5.710 5.762 1.00 6.36 H new ATOM 0 HA VAL A 74 -9.307 -8.114 7.038 1.00 6.77 H new ATOM 0 HB VAL A 74 -10.758 -6.232 7.237 1.00 7.13 H new ATOM 0 HG11 VAL A 74 -11.545 -4.913 5.311 1.00 6.85 H new ATOM 0 HG12 VAL A 74 -9.785 -4.777 5.542 1.00 6.85 H new ATOM 0 HG13 VAL A 74 -10.435 -5.815 4.251 1.00 6.85 H new ATOM 0 HG21 VAL A 74 -12.738 -6.958 5.955 1.00 7.84 H new ATOM 0 HG22 VAL A 74 -11.694 -7.976 4.935 1.00 7.84 H new ATOM 0 HG23 VAL A 74 -11.864 -8.333 6.670 1.00 7.84 H new ATOM 1095 N MET A 75 -9.354 -9.525 4.987 1.00 7.05 N ATOM 1096 CA MET A 75 -9.268 -10.388 3.818 1.00 7.23 C ATOM 1097 C MET A 75 -10.659 -10.825 3.376 1.00 7.58 C ATOM 1098 O MET A 75 -11.363 -11.533 4.098 1.00 8.07 O ATOM 1099 CB MET A 75 -8.392 -11.606 4.120 1.00 7.58 C ATOM 1100 CG MET A 75 -8.141 -12.502 2.915 1.00 8.16 C ATOM 1101 SD MET A 75 -6.762 -13.640 3.169 1.00 8.88 S ATOM 1102 CE MET A 75 -6.891 -14.668 1.707 1.00 9.35 C ATOM 0 H MET A 75 -9.551 -10.015 5.860 1.00 7.05 H new ATOM 0 HA MET A 75 -8.810 -9.827 3.004 1.00 7.23 H new ATOM 0 HB2 MET A 75 -7.434 -11.264 4.511 1.00 7.58 H new ATOM 0 HB3 MET A 75 -8.865 -12.195 4.906 1.00 7.58 H new ATOM 0 HG2 MET A 75 -9.043 -13.074 2.698 1.00 8.16 H new ATOM 0 HG3 MET A 75 -7.939 -11.882 2.042 1.00 8.16 H new ATOM 0 HE1 MET A 75 -6.427 -15.635 1.900 1.00 9.35 H new ATOM 0 HE2 MET A 75 -7.942 -14.813 1.456 1.00 9.35 H new ATOM 0 HE3 MET A 75 -6.383 -14.182 0.874 1.00 9.35 H new ATOM 1112 N PHE A 76 -11.048 -10.392 2.189 1.00 7.53 N ATOM 1113 CA PHE A 76 -12.355 -10.719 1.638 1.00 7.96 C ATOM 1114 C PHE A 76 -12.259 -10.870 0.125 1.00 8.18 C ATOM 1115 O PHE A 76 -11.184 -10.697 -0.450 1.00 8.37 O ATOM 1116 CB PHE A 76 -13.363 -9.620 1.996 1.00 7.98 C ATOM 1117 CG PHE A 76 -13.043 -8.283 1.388 1.00 8.18 C ATOM 1118 CD1 PHE A 76 -12.060 -7.473 1.934 1.00 8.46 C ATOM 1119 CD2 PHE A 76 -13.723 -7.840 0.267 1.00 8.59 C ATOM 1120 CE1 PHE A 76 -11.764 -6.246 1.374 1.00 9.07 C ATOM 1121 CE2 PHE A 76 -13.430 -6.616 -0.297 1.00 9.23 C ATOM 1122 CZ PHE A 76 -12.449 -5.817 0.256 1.00 9.66 C ATOM 0 H PHE A 76 -10.472 -9.808 1.582 1.00 7.53 H new ATOM 0 HA PHE A 76 -12.695 -11.662 2.065 1.00 7.96 H new ATOM 0 HB2 PHE A 76 -14.356 -9.929 1.669 1.00 7.98 H new ATOM 0 HB3 PHE A 76 -13.403 -9.516 3.080 1.00 7.98 H new ATOM 0 HD1 PHE A 76 -11.519 -7.805 2.808 1.00 8.46 H new ATOM 0 HD2 PHE A 76 -14.492 -8.460 -0.171 1.00 8.59 H new ATOM 0 HE1 PHE A 76 -10.997 -5.623 1.811 1.00 9.07 H new ATOM 0 HE2 PHE A 76 -13.968 -6.282 -1.172 1.00 9.23 H new ATOM 0 HZ PHE A 76 -12.219 -4.859 -0.186 1.00 9.66 H new ATOM 1132 N ARG A 77 -13.373 -11.198 -0.515 1.00 8.33 N ATOM 1133 CA ARG A 77 -13.396 -11.352 -1.962 1.00 8.76 C ATOM 1134 C ARG A 77 -13.923 -10.086 -2.624 1.00 8.37 C ATOM 1135 O ARG A 77 -15.077 -9.698 -2.419 1.00 8.58 O ATOM 1136 CB ARG A 77 -14.248 -12.552 -2.370 1.00 9.53 C ATOM 1137 CG ARG A 77 -13.682 -13.885 -1.919 1.00 10.38 C ATOM 1138 CD ARG A 77 -14.433 -15.042 -2.549 1.00 11.13 C ATOM 1139 NE ARG A 77 -14.762 -16.076 -1.571 1.00 11.57 N ATOM 1140 CZ ARG A 77 -14.744 -17.381 -1.833 1.00 12.50 C ATOM 1141 NH1 ARG A 77 -14.463 -17.806 -3.057 1.00 13.10 N ATOM 1142 NH2 ARG A 77 -15.012 -18.256 -0.870 1.00 12.92 N ATOM 0 H ARG A 77 -14.269 -11.362 -0.057 1.00 8.33 H new ATOM 0 HA ARG A 77 -12.374 -11.526 -2.298 1.00 8.76 H new ATOM 0 HB2 ARG A 77 -15.249 -12.433 -1.955 1.00 9.53 H new ATOM 0 HB3 ARG A 77 -14.352 -12.560 -3.455 1.00 9.53 H new ATOM 0 HG2 ARG A 77 -12.627 -13.944 -2.187 1.00 10.38 H new ATOM 0 HG3 ARG A 77 -13.740 -13.959 -0.833 1.00 10.38 H new ATOM 0 HD2 ARG A 77 -15.350 -14.672 -3.009 1.00 11.13 H new ATOM 0 HD3 ARG A 77 -13.829 -15.475 -3.346 1.00 11.13 H new ATOM 0 HE ARG A 77 -15.021 -15.780 -0.630 1.00 11.57 H new ATOM 0 HH11 ARG A 77 -14.261 -17.133 -3.797 1.00 13.10 H new ATOM 0 HH12 ARG A 77 -14.449 -18.806 -3.259 1.00 13.10 H new ATOM 0 HH21 ARG A 77 -15.232 -17.928 0.070 1.00 12.92 H new ATOM 0 HH22 ARG A 77 -14.998 -19.256 -1.071 1.00 12.92 H new ATOM 1156 N PHE A 78 -13.075 -9.444 -3.410 1.00 8.00 N ATOM 1157 CA PHE A 78 -13.448 -8.221 -4.106 1.00 7.81 C ATOM 1158 C PHE A 78 -13.775 -8.532 -5.563 1.00 7.97 C ATOM 1159 O PHE A 78 -13.191 -9.442 -6.151 1.00 8.21 O ATOM 1160 CB PHE A 78 -12.310 -7.201 -4.017 1.00 8.16 C ATOM 1161 CG PHE A 78 -12.741 -5.783 -4.269 1.00 8.43 C ATOM 1162 CD1 PHE A 78 -13.460 -5.085 -3.313 1.00 8.53 C ATOM 1163 CD2 PHE A 78 -12.418 -5.145 -5.456 1.00 8.83 C ATOM 1164 CE1 PHE A 78 -13.853 -3.780 -3.537 1.00 8.94 C ATOM 1165 CE2 PHE A 78 -12.809 -3.839 -5.685 1.00 9.26 C ATOM 1166 CZ PHE A 78 -13.526 -3.154 -4.724 1.00 9.28 C ATOM 0 H PHE A 78 -12.118 -9.751 -3.584 1.00 8.00 H new ATOM 0 HA PHE A 78 -14.333 -7.795 -3.634 1.00 7.81 H new ATOM 0 HB2 PHE A 78 -11.857 -7.262 -3.027 1.00 8.16 H new ATOM 0 HB3 PHE A 78 -11.538 -7.469 -4.738 1.00 8.16 H new ATOM 0 HD1 PHE A 78 -13.716 -5.567 -2.381 1.00 8.53 H new ATOM 0 HD2 PHE A 78 -11.855 -5.674 -6.210 1.00 8.83 H new ATOM 0 HE1 PHE A 78 -14.416 -3.249 -2.784 1.00 8.94 H new ATOM 0 HE2 PHE A 78 -12.554 -3.354 -6.616 1.00 9.26 H new ATOM 0 HZ PHE A 78 -13.830 -2.133 -4.900 1.00 9.28 H new ATOM 1176 N ARG A 79 -14.711 -7.783 -6.132 1.00 7.99 N ATOM 1177 CA ARG A 79 -15.118 -7.987 -7.516 1.00 8.38 C ATOM 1178 C ARG A 79 -14.154 -7.304 -8.474 1.00 8.66 C ATOM 1179 O ARG A 79 -13.783 -6.148 -8.278 1.00 8.73 O ATOM 1180 CB ARG A 79 -16.531 -7.444 -7.738 1.00 8.53 C ATOM 1181 CG ARG A 79 -17.258 -8.090 -8.908 1.00 9.41 C ATOM 1182 CD ARG A 79 -18.675 -7.560 -9.048 1.00 9.82 C ATOM 1183 NE ARG A 79 -18.704 -6.199 -9.578 1.00 10.05 N ATOM 1184 CZ ARG A 79 -19.747 -5.374 -9.475 1.00 10.46 C ATOM 1185 NH1 ARG A 79 -20.856 -5.763 -8.852 1.00 10.67 N ATOM 1186 NH2 ARG A 79 -19.680 -4.158 -10.004 1.00 10.87 N ATOM 0 H ARG A 79 -15.203 -7.027 -5.655 1.00 7.99 H new ATOM 0 HA ARG A 79 -15.106 -9.059 -7.715 1.00 8.38 H new ATOM 0 HB2 ARG A 79 -17.115 -7.595 -6.830 1.00 8.53 H new ATOM 0 HB3 ARG A 79 -16.475 -6.368 -7.906 1.00 8.53 H new ATOM 0 HG2 ARG A 79 -16.706 -7.902 -9.829 1.00 9.41 H new ATOM 0 HG3 ARG A 79 -17.285 -9.171 -8.768 1.00 9.41 H new ATOM 0 HD2 ARG A 79 -19.244 -8.217 -9.706 1.00 9.82 H new ATOM 0 HD3 ARG A 79 -19.167 -7.580 -8.075 1.00 9.82 H new ATOM 0 HE ARG A 79 -17.872 -5.857 -10.059 1.00 10.05 H new ATOM 0 HH11 ARG A 79 -20.913 -6.698 -8.449 1.00 10.67 H new ATOM 0 HH12 ARG A 79 -21.649 -5.126 -8.777 1.00 10.67 H new ATOM 0 HH21 ARG A 79 -18.833 -3.858 -10.487 1.00 10.87 H new ATOM 0 HH22 ARG A 79 -20.475 -3.524 -9.927 1.00 10.87 H new ATOM 1200 N SER A 80 -13.740 -8.030 -9.497 1.00 9.00 N ATOM 1201 CA SER A 80 -12.834 -7.496 -10.496 1.00 9.50 C ATOM 1202 C SER A 80 -13.621 -6.984 -11.697 1.00 9.93 C ATOM 1203 O SER A 80 -14.854 -7.013 -11.701 1.00 10.23 O ATOM 1204 CB SER A 80 -11.854 -8.579 -10.944 1.00 10.33 C ATOM 1205 OG SER A 80 -12.493 -9.534 -11.779 1.00 10.77 O ATOM 0 H SER A 80 -14.020 -8.998 -9.658 1.00 9.00 H new ATOM 0 HA SER A 80 -12.276 -6.668 -10.058 1.00 9.50 H new ATOM 0 HB2 SER A 80 -11.022 -8.122 -11.480 1.00 10.33 H new ATOM 0 HB3 SER A 80 -11.435 -9.078 -10.070 1.00 10.33 H new ATOM 0 HG SER A 80 -11.819 -10.127 -12.173 1.00 10.77 H new ATOM 1211 N LYS A 81 -12.908 -6.528 -12.720 1.00 10.16 N ATOM 1212 CA LYS A 81 -13.537 -6.035 -13.937 1.00 10.81 C ATOM 1213 C LYS A 81 -14.168 -7.200 -14.696 1.00 11.44 C ATOM 1214 O LYS A 81 -15.049 -7.015 -15.536 1.00 11.77 O ATOM 1215 CB LYS A 81 -12.502 -5.321 -14.809 1.00 11.28 C ATOM 1216 CG LYS A 81 -13.084 -4.642 -16.038 1.00 11.83 C ATOM 1217 CD LYS A 81 -14.074 -3.557 -15.658 1.00 11.83 C ATOM 1218 CE LYS A 81 -14.573 -2.815 -16.886 1.00 12.62 C ATOM 1219 NZ LYS A 81 -15.754 -1.968 -16.581 1.00 12.66 N ATOM 0 H LYS A 81 -11.889 -6.490 -12.729 1.00 10.16 H new ATOM 0 HA LYS A 81 -14.319 -5.321 -13.677 1.00 10.81 H new ATOM 0 HB2 LYS A 81 -11.988 -4.574 -14.205 1.00 11.28 H new ATOM 0 HB3 LYS A 81 -11.752 -6.044 -15.128 1.00 11.28 H new ATOM 0 HG2 LYS A 81 -12.279 -4.209 -16.631 1.00 11.83 H new ATOM 0 HG3 LYS A 81 -13.579 -5.384 -16.665 1.00 11.83 H new ATOM 0 HD2 LYS A 81 -14.918 -4.000 -15.129 1.00 11.83 H new ATOM 0 HD3 LYS A 81 -13.602 -2.854 -14.972 1.00 11.83 H new ATOM 0 HE2 LYS A 81 -13.772 -2.191 -17.283 1.00 12.62 H new ATOM 0 HE3 LYS A 81 -14.833 -3.534 -17.663 1.00 12.62 H new ATOM 0 HZ1 LYS A 81 -16.125 -1.559 -17.462 1.00 12.66 H new ATOM 0 HZ2 LYS A 81 -16.491 -2.548 -16.132 1.00 12.66 H new ATOM 0 HZ3 LYS A 81 -15.475 -1.202 -15.935 1.00 12.66 H new ATOM 1233 N ASN A 82 -13.723 -8.408 -14.368 1.00 11.74 N ATOM 1234 CA ASN A 82 -14.237 -9.619 -14.995 1.00 12.49 C ATOM 1235 C ASN A 82 -15.404 -10.160 -14.184 1.00 12.28 C ATOM 1236 O ASN A 82 -15.922 -11.244 -14.461 1.00 12.86 O ATOM 1237 CB ASN A 82 -13.144 -10.684 -15.097 1.00 13.32 C ATOM 1238 CG ASN A 82 -11.899 -10.181 -15.797 1.00 13.91 C ATOM 1239 OD1 ASN A 82 -11.968 -9.357 -16.710 1.00 14.05 O ATOM 1240 ND2 ASN A 82 -10.750 -10.658 -15.359 1.00 14.42 N ATOM 0 H ASN A 82 -13.002 -8.574 -13.666 1.00 11.74 H new ATOM 0 HA ASN A 82 -14.574 -9.371 -16.002 1.00 12.49 H new ATOM 0 HB2 ASN A 82 -12.880 -11.024 -14.096 1.00 13.32 H new ATOM 0 HB3 ASN A 82 -13.534 -11.548 -15.635 1.00 13.32 H new ATOM 0 HD21 ASN A 82 -9.875 -10.345 -15.779 1.00 14.42 H new ATOM 0 HD22 ASN A 82 -10.737 -11.340 -14.600 1.00 14.42 H new ATOM 1247 N GLN A 83 -15.789 -9.392 -13.165 1.00 11.60 N ATOM 1248 CA GLN A 83 -16.893 -9.736 -12.273 1.00 11.56 C ATOM 1249 C GLN A 83 -16.586 -10.985 -11.453 1.00 11.14 C ATOM 1250 O GLN A 83 -17.494 -11.671 -10.978 1.00 11.21 O ATOM 1251 CB GLN A 83 -18.202 -9.905 -13.052 1.00 12.34 C ATOM 1252 CG GLN A 83 -18.996 -8.613 -13.205 1.00 12.60 C ATOM 1253 CD GLN A 83 -18.210 -7.499 -13.877 1.00 12.46 C ATOM 1254 OE1 GLN A 83 -17.601 -6.657 -13.213 1.00 12.29 O ATOM 1255 NE2 GLN A 83 -18.206 -7.498 -15.200 1.00 12.69 N ATOM 0 H GLN A 83 -15.339 -8.506 -12.935 1.00 11.60 H new ATOM 0 HA GLN A 83 -17.016 -8.906 -11.577 1.00 11.56 H new ATOM 0 HB2 GLN A 83 -17.977 -10.302 -14.042 1.00 12.34 H new ATOM 0 HB3 GLN A 83 -18.823 -10.645 -12.546 1.00 12.34 H new ATOM 0 HG2 GLN A 83 -19.896 -8.815 -13.786 1.00 12.60 H new ATOM 0 HG3 GLN A 83 -19.321 -8.276 -12.221 1.00 12.60 H new ATOM 0 HE21 GLN A 83 -18.723 -8.213 -15.712 1.00 12.69 H new ATOM 0 HE22 GLN A 83 -17.686 -6.783 -15.708 1.00 12.69 H new ATOM 1264 N GLU A 84 -15.304 -11.271 -11.278 1.00 10.85 N ATOM 1265 CA GLU A 84 -14.893 -12.422 -10.493 1.00 10.56 C ATOM 1266 C GLU A 84 -14.523 -11.962 -9.089 1.00 10.07 C ATOM 1267 O GLU A 84 -14.342 -10.764 -8.855 1.00 10.08 O ATOM 1268 CB GLU A 84 -13.728 -13.162 -11.165 1.00 10.45 C ATOM 1269 CG GLU A 84 -12.376 -12.491 -10.998 1.00 10.43 C ATOM 1270 CD GLU A 84 -11.510 -12.602 -12.238 1.00 10.44 C ATOM 1271 OE1 GLU A 84 -11.371 -13.721 -12.776 1.00 10.71 O ATOM 1272 OE2 GLU A 84 -10.970 -11.569 -12.682 1.00 10.24 O ATOM 0 H GLU A 84 -14.536 -10.724 -11.667 1.00 10.85 H new ATOM 0 HA GLU A 84 -15.721 -13.128 -10.428 1.00 10.56 H new ATOM 0 HB2 GLU A 84 -13.672 -14.171 -10.757 1.00 10.45 H new ATOM 0 HB3 GLU A 84 -13.942 -13.260 -12.229 1.00 10.45 H new ATOM 0 HG2 GLU A 84 -12.525 -11.438 -10.757 1.00 10.43 H new ATOM 0 HG3 GLU A 84 -11.854 -12.941 -10.154 1.00 10.43 H new ATOM 1279 N TRP A 85 -14.424 -12.899 -8.162 1.00 9.78 N ATOM 1280 CA TRP A 85 -14.104 -12.569 -6.782 1.00 9.50 C ATOM 1281 C TRP A 85 -12.703 -13.035 -6.413 1.00 9.40 C ATOM 1282 O TRP A 85 -12.427 -14.236 -6.346 1.00 9.53 O ATOM 1283 CB TRP A 85 -15.139 -13.192 -5.843 1.00 9.93 C ATOM 1284 CG TRP A 85 -16.548 -12.890 -6.249 1.00 10.24 C ATOM 1285 CD1 TRP A 85 -17.405 -13.718 -6.917 1.00 10.93 C ATOM 1286 CD2 TRP A 85 -17.260 -11.669 -6.025 1.00 10.07 C ATOM 1287 NE1 TRP A 85 -18.608 -13.086 -7.115 1.00 11.20 N ATOM 1288 CE2 TRP A 85 -18.543 -11.827 -6.577 1.00 10.68 C ATOM 1289 CE3 TRP A 85 -16.937 -10.457 -5.408 1.00 9.65 C ATOM 1290 CZ2 TRP A 85 -19.502 -10.820 -6.530 1.00 10.85 C ATOM 1291 CZ3 TRP A 85 -17.890 -9.460 -5.363 1.00 9.84 C ATOM 1292 CH2 TRP A 85 -19.159 -9.647 -5.921 1.00 10.42 C ATOM 0 H TRP A 85 -14.560 -13.894 -8.339 1.00 9.78 H new ATOM 0 HA TRP A 85 -14.132 -11.485 -6.675 1.00 9.50 H new ATOM 0 HB2 TRP A 85 -14.997 -14.272 -5.819 1.00 9.93 H new ATOM 0 HB3 TRP A 85 -14.971 -12.825 -4.830 1.00 9.93 H new ATOM 0 HD1 TRP A 85 -17.171 -14.721 -7.241 1.00 10.93 H new ATOM 0 HE1 TRP A 85 -19.418 -13.488 -7.586 1.00 11.20 H new ATOM 0 HE3 TRP A 85 -15.960 -10.304 -4.975 1.00 9.65 H new ATOM 0 HZ2 TRP A 85 -20.483 -10.961 -6.960 1.00 10.85 H new ATOM 0 HZ3 TRP A 85 -17.652 -8.519 -4.889 1.00 9.84 H new ATOM 0 HH2 TRP A 85 -19.883 -8.847 -5.869 1.00 10.42 H new ATOM 1303 N LEU A 86 -11.822 -12.077 -6.176 1.00 9.37 N ATOM 1304 CA LEU A 86 -10.446 -12.371 -5.807 1.00 9.51 C ATOM 1305 C LEU A 86 -10.211 -12.030 -4.341 1.00 8.86 C ATOM 1306 O LEU A 86 -10.854 -11.131 -3.795 1.00 8.45 O ATOM 1307 CB LEU A 86 -9.475 -11.594 -6.705 1.00 10.04 C ATOM 1308 CG LEU A 86 -9.833 -10.122 -6.946 1.00 10.26 C ATOM 1309 CD1 LEU A 86 -9.139 -9.220 -5.935 1.00 10.30 C ATOM 1310 CD2 LEU A 86 -9.465 -9.714 -8.364 1.00 11.12 C ATOM 0 H LEU A 86 -12.037 -11.082 -6.233 1.00 9.37 H new ATOM 0 HA LEU A 86 -10.265 -13.437 -5.948 1.00 9.51 H new ATOM 0 HB2 LEU A 86 -8.481 -11.640 -6.261 1.00 10.04 H new ATOM 0 HB3 LEU A 86 -9.417 -12.098 -7.670 1.00 10.04 H new ATOM 0 HG LEU A 86 -10.909 -10.008 -6.817 1.00 10.26 H new ATOM 0 HD11 LEU A 86 -9.409 -8.182 -6.128 1.00 10.30 H new ATOM 0 HD12 LEU A 86 -9.451 -9.495 -4.927 1.00 10.30 H new ATOM 0 HD13 LEU A 86 -8.059 -9.336 -6.025 1.00 10.30 H new ATOM 0 HD21 LEU A 86 -9.725 -8.667 -8.520 1.00 11.12 H new ATOM 0 HD22 LEU A 86 -8.394 -9.849 -8.515 1.00 11.12 H new ATOM 0 HD23 LEU A 86 -10.012 -10.334 -9.074 1.00 11.12 H new ATOM 1322 N TRP A 87 -9.297 -12.750 -3.707 1.00 8.98 N ATOM 1323 CA TRP A 87 -8.981 -12.522 -2.304 1.00 8.61 C ATOM 1324 C TRP A 87 -8.121 -11.281 -2.148 1.00 8.55 C ATOM 1325 O TRP A 87 -6.989 -11.226 -2.637 1.00 9.23 O ATOM 1326 CB TRP A 87 -8.264 -13.733 -1.707 1.00 9.13 C ATOM 1327 CG TRP A 87 -9.130 -14.951 -1.633 1.00 9.35 C ATOM 1328 CD1 TRP A 87 -9.149 -15.993 -2.512 1.00 9.76 C ATOM 1329 CD2 TRP A 87 -10.106 -15.256 -0.630 1.00 9.44 C ATOM 1330 NE1 TRP A 87 -10.074 -16.927 -2.119 1.00 10.06 N ATOM 1331 CE2 TRP A 87 -10.674 -16.498 -0.965 1.00 9.89 C ATOM 1332 CE3 TRP A 87 -10.555 -14.599 0.520 1.00 9.42 C ATOM 1333 CZ2 TRP A 87 -11.664 -17.097 -0.193 1.00 10.28 C ATOM 1334 CZ3 TRP A 87 -11.539 -15.196 1.286 1.00 9.85 C ATOM 1335 CH2 TRP A 87 -12.084 -16.435 0.926 1.00 10.26 C ATOM 0 H TRP A 87 -8.760 -13.499 -4.143 1.00 8.98 H new ATOM 0 HA TRP A 87 -9.917 -12.372 -1.766 1.00 8.61 H new ATOM 0 HB2 TRP A 87 -7.382 -13.958 -2.307 1.00 9.13 H new ATOM 0 HB3 TRP A 87 -7.913 -13.483 -0.706 1.00 9.13 H new ATOM 0 HD1 TRP A 87 -8.526 -16.072 -3.391 1.00 9.76 H new ATOM 0 HE1 TRP A 87 -10.281 -17.799 -2.607 1.00 10.06 H new ATOM 0 HE3 TRP A 87 -10.141 -13.643 0.804 1.00 9.42 H new ATOM 0 HZ2 TRP A 87 -12.086 -18.052 -0.469 1.00 10.28 H new ATOM 0 HZ3 TRP A 87 -11.893 -14.699 2.177 1.00 9.85 H new ATOM 0 HH2 TRP A 87 -12.851 -16.876 1.545 1.00 10.26 H new ATOM 1346 N MET A 88 -8.663 -10.290 -1.466 1.00 7.94 N ATOM 1347 CA MET A 88 -7.964 -9.038 -1.246 1.00 7.99 C ATOM 1348 C MET A 88 -7.712 -8.816 0.237 1.00 7.92 C ATOM 1349 O MET A 88 -8.630 -8.930 1.049 1.00 7.76 O ATOM 1350 CB MET A 88 -8.789 -7.874 -1.797 1.00 8.19 C ATOM 1351 CG MET A 88 -8.045 -6.551 -1.825 1.00 8.29 C ATOM 1352 SD MET A 88 -7.240 -6.249 -3.410 1.00 8.99 S ATOM 1353 CE MET A 88 -8.659 -5.907 -4.449 1.00 9.32 C ATOM 0 H MET A 88 -9.594 -10.329 -1.051 1.00 7.94 H new ATOM 0 HA MET A 88 -7.007 -9.087 -1.765 1.00 7.99 H new ATOM 0 HB2 MET A 88 -9.114 -8.118 -2.808 1.00 8.19 H new ATOM 0 HB3 MET A 88 -9.689 -7.761 -1.192 1.00 8.19 H new ATOM 0 HG2 MET A 88 -8.743 -5.740 -1.615 1.00 8.29 H new ATOM 0 HG3 MET A 88 -7.297 -6.541 -1.033 1.00 8.29 H new ATOM 0 HE1 MET A 88 -8.534 -6.404 -5.411 1.00 9.32 H new ATOM 0 HE2 MET A 88 -9.562 -6.277 -3.964 1.00 9.32 H new ATOM 0 HE3 MET A 88 -8.745 -4.832 -4.605 1.00 9.32 H new ATOM 1363 N ARG A 89 -6.469 -8.520 0.584 1.00 8.22 N ATOM 1364 CA ARG A 89 -6.103 -8.253 1.968 1.00 8.32 C ATOM 1365 C ARG A 89 -6.003 -6.748 2.158 1.00 8.38 C ATOM 1366 O ARG A 89 -4.912 -6.180 2.184 1.00 8.80 O ATOM 1367 CB ARG A 89 -4.778 -8.928 2.327 1.00 8.70 C ATOM 1368 CG ARG A 89 -4.649 -9.257 3.807 1.00 8.73 C ATOM 1369 CD ARG A 89 -3.210 -9.147 4.282 1.00 9.56 C ATOM 1370 NE ARG A 89 -2.807 -7.758 4.471 1.00 9.63 N ATOM 1371 CZ ARG A 89 -1.737 -7.377 5.171 1.00 10.18 C ATOM 1372 NH1 ARG A 89 -0.948 -8.274 5.752 1.00 10.66 N ATOM 1373 NH2 ARG A 89 -1.463 -6.092 5.295 1.00 10.44 N ATOM 0 H ARG A 89 -5.694 -8.458 -0.076 1.00 8.22 H new ATOM 0 HA ARG A 89 -6.866 -8.663 2.630 1.00 8.32 H new ATOM 0 HB2 ARG A 89 -4.678 -9.846 1.748 1.00 8.70 H new ATOM 0 HB3 ARG A 89 -3.955 -8.276 2.034 1.00 8.70 H new ATOM 0 HG2 ARG A 89 -5.277 -8.580 4.387 1.00 8.73 H new ATOM 0 HG3 ARG A 89 -5.016 -10.267 3.989 1.00 8.73 H new ATOM 0 HD2 ARG A 89 -3.094 -9.690 5.220 1.00 9.56 H new ATOM 0 HD3 ARG A 89 -2.550 -9.621 3.556 1.00 9.56 H new ATOM 0 HE ARG A 89 -3.380 -7.032 4.041 1.00 9.63 H new ATOM 0 HH11 ARG A 89 -1.157 -9.269 5.666 1.00 10.66 H new ATOM 0 HH12 ARG A 89 -0.133 -7.968 6.284 1.00 10.66 H new ATOM 0 HH21 ARG A 89 -2.068 -5.397 4.857 1.00 10.44 H new ATOM 0 HH22 ARG A 89 -0.647 -5.794 5.829 1.00 10.44 H new ATOM 1387 N THR A 90 -7.153 -6.116 2.269 1.00 8.13 N ATOM 1388 CA THR A 90 -7.246 -4.673 2.412 1.00 8.31 C ATOM 1389 C THR A 90 -6.737 -4.172 3.763 1.00 7.80 C ATOM 1390 O THR A 90 -7.370 -4.388 4.798 1.00 7.13 O ATOM 1391 CB THR A 90 -8.706 -4.227 2.213 1.00 8.83 C ATOM 1392 OG1 THR A 90 -9.120 -4.522 0.876 1.00 9.37 O ATOM 1393 CG2 THR A 90 -8.885 -2.742 2.490 1.00 9.12 C ATOM 0 H THR A 90 -8.056 -6.589 2.263 1.00 8.13 H new ATOM 0 HA THR A 90 -6.604 -4.236 1.647 1.00 8.31 H new ATOM 0 HB THR A 90 -9.324 -4.775 2.924 1.00 8.83 H new ATOM 0 HG1 THR A 90 -9.062 -3.711 0.329 1.00 9.37 H new ATOM 0 HG21 THR A 90 -9.929 -2.467 2.338 1.00 9.12 H new ATOM 0 HG22 THR A 90 -8.599 -2.527 3.519 1.00 9.12 H new ATOM 0 HG23 THR A 90 -8.256 -2.167 1.811 1.00 9.12 H new ATOM 1401 N SER A 91 -5.582 -3.518 3.743 1.00 8.27 N ATOM 1402 CA SER A 91 -5.004 -2.943 4.945 1.00 8.04 C ATOM 1403 C SER A 91 -5.574 -1.537 5.147 1.00 8.00 C ATOM 1404 O SER A 91 -5.080 -0.570 4.564 1.00 8.20 O ATOM 1405 CB SER A 91 -3.477 -2.880 4.828 1.00 7.83 C ATOM 1406 OG SER A 91 -2.951 -4.025 4.171 1.00 8.08 O ATOM 0 H SER A 91 -5.026 -3.374 2.900 1.00 8.27 H new ATOM 0 HA SER A 91 -5.255 -3.569 5.802 1.00 8.04 H new ATOM 0 HB2 SER A 91 -3.191 -1.983 4.279 1.00 7.83 H new ATOM 0 HB3 SER A 91 -3.039 -2.798 5.823 1.00 7.83 H new ATOM 0 HG SER A 91 -1.979 -3.936 4.087 1.00 8.08 H new ATOM 1412 N SER A 92 -6.621 -1.431 5.953 1.00 7.99 N ATOM 1413 CA SER A 92 -7.274 -0.149 6.196 1.00 8.16 C ATOM 1414 C SER A 92 -6.566 0.657 7.284 1.00 8.34 C ATOM 1415 O SER A 92 -6.269 0.139 8.359 1.00 8.27 O ATOM 1416 CB SER A 92 -8.737 -0.378 6.577 1.00 8.49 C ATOM 1417 OG SER A 92 -9.388 -1.202 5.621 1.00 8.65 O ATOM 0 H SER A 92 -7.038 -2.217 6.451 1.00 7.99 H new ATOM 0 HA SER A 92 -7.221 0.432 5.275 1.00 8.16 H new ATOM 0 HB2 SER A 92 -8.792 -0.843 7.561 1.00 8.49 H new ATOM 0 HB3 SER A 92 -9.252 0.580 6.648 1.00 8.49 H new ATOM 0 HG SER A 92 -9.571 -0.681 4.811 1.00 8.65 H new ATOM 1423 N PHE A 93 -6.296 1.920 6.981 1.00 8.79 N ATOM 1424 CA PHE A 93 -5.638 2.824 7.913 1.00 9.24 C ATOM 1425 C PHE A 93 -6.493 4.076 8.122 1.00 9.05 C ATOM 1426 O PHE A 93 -6.933 4.707 7.158 1.00 8.84 O ATOM 1427 CB PHE A 93 -4.249 3.198 7.375 1.00 9.87 C ATOM 1428 CG PHE A 93 -3.617 4.384 8.048 1.00 10.37 C ATOM 1429 CD1 PHE A 93 -3.150 4.296 9.350 1.00 10.90 C ATOM 1430 CD2 PHE A 93 -3.484 5.587 7.372 1.00 10.50 C ATOM 1431 CE1 PHE A 93 -2.565 5.387 9.965 1.00 11.50 C ATOM 1432 CE2 PHE A 93 -2.900 6.679 7.981 1.00 11.09 C ATOM 1433 CZ PHE A 93 -2.439 6.579 9.279 1.00 11.56 C ATOM 0 H PHE A 93 -6.527 2.345 6.083 1.00 8.79 H new ATOM 0 HA PHE A 93 -5.518 2.327 8.876 1.00 9.24 H new ATOM 0 HB2 PHE A 93 -3.587 2.339 7.485 1.00 9.87 H new ATOM 0 HB3 PHE A 93 -4.330 3.403 6.308 1.00 9.87 H new ATOM 0 HD1 PHE A 93 -3.244 3.365 9.890 1.00 10.90 H new ATOM 0 HD2 PHE A 93 -3.842 5.671 6.356 1.00 10.50 H new ATOM 0 HE1 PHE A 93 -2.207 5.307 10.981 1.00 11.50 H new ATOM 0 HE2 PHE A 93 -2.804 7.611 7.443 1.00 11.09 H new ATOM 0 HZ PHE A 93 -1.980 7.432 9.757 1.00 11.56 H new ATOM 1443 N THR A 94 -6.739 4.416 9.380 1.00 9.35 N ATOM 1444 CA THR A 94 -7.536 5.587 9.716 1.00 9.46 C ATOM 1445 C THR A 94 -6.729 6.870 9.530 1.00 9.94 C ATOM 1446 O THR A 94 -5.737 7.091 10.226 1.00 10.16 O ATOM 1447 CB THR A 94 -8.026 5.508 11.174 1.00 9.25 C ATOM 1448 OG1 THR A 94 -7.646 4.248 11.754 1.00 9.37 O ATOM 1449 CG2 THR A 94 -9.535 5.669 11.249 1.00 9.37 C ATOM 0 H THR A 94 -6.396 3.895 10.187 1.00 9.35 H new ATOM 0 HA THR A 94 -8.394 5.605 9.044 1.00 9.46 H new ATOM 0 HB THR A 94 -7.562 6.321 11.733 1.00 9.25 H new ATOM 0 HG1 THR A 94 -8.434 3.817 12.145 1.00 9.37 H new ATOM 0 HG21 THR A 94 -9.856 5.609 12.289 1.00 9.37 H new ATOM 0 HG22 THR A 94 -9.819 6.637 10.837 1.00 9.37 H new ATOM 0 HG23 THR A 94 -10.014 4.876 10.675 1.00 9.37 H new ATOM 1457 N PHE A 95 -7.147 7.710 8.588 1.00 10.31 N ATOM 1458 CA PHE A 95 -6.457 8.967 8.328 1.00 10.96 C ATOM 1459 C PHE A 95 -7.042 10.080 9.190 1.00 11.35 C ATOM 1460 O PHE A 95 -8.150 10.563 8.938 1.00 11.51 O ATOM 1461 CB PHE A 95 -6.549 9.343 6.844 1.00 11.11 C ATOM 1462 CG PHE A 95 -5.700 10.529 6.468 1.00 11.84 C ATOM 1463 CD1 PHE A 95 -4.367 10.364 6.131 1.00 12.08 C ATOM 1464 CD2 PHE A 95 -6.237 11.807 6.458 1.00 11.76 C ATOM 1465 CE1 PHE A 95 -3.584 11.452 5.794 1.00 12.25 C ATOM 1466 CE2 PHE A 95 -5.458 12.897 6.124 1.00 11.93 C ATOM 1467 CZ PHE A 95 -4.132 12.720 5.789 1.00 12.11 C ATOM 0 H PHE A 95 -7.959 7.543 7.993 1.00 10.31 H new ATOM 0 HA PHE A 95 -5.406 8.838 8.585 1.00 10.96 H new ATOM 0 HB2 PHE A 95 -6.248 8.486 6.241 1.00 11.11 H new ATOM 0 HB3 PHE A 95 -7.588 9.558 6.596 1.00 11.11 H new ATOM 0 HD1 PHE A 95 -3.935 9.374 6.132 1.00 12.08 H new ATOM 0 HD2 PHE A 95 -7.276 11.952 6.714 1.00 11.76 H new ATOM 0 HE1 PHE A 95 -2.545 11.311 5.535 1.00 12.25 H new ATOM 0 HE2 PHE A 95 -5.887 13.888 6.125 1.00 11.93 H new ATOM 0 HZ PHE A 95 -3.523 13.571 5.523 1.00 12.11 H new ATOM 1477 N GLN A 96 -6.295 10.472 10.207 1.00 11.67 N ATOM 1478 CA GLN A 96 -6.725 11.519 11.117 1.00 12.26 C ATOM 1479 C GLN A 96 -5.814 12.734 11.008 1.00 12.40 C ATOM 1480 O GLN A 96 -4.666 12.627 10.566 1.00 12.58 O ATOM 1481 CB GLN A 96 -6.715 11.002 12.558 1.00 12.87 C ATOM 1482 CG GLN A 96 -7.642 9.827 12.796 1.00 13.00 C ATOM 1483 CD GLN A 96 -7.124 8.905 13.878 1.00 13.42 C ATOM 1484 OE1 GLN A 96 -6.439 7.920 13.599 1.00 13.10 O ATOM 1485 NE2 GLN A 96 -7.431 9.227 15.121 1.00 14.24 N ATOM 0 H GLN A 96 -5.380 10.077 10.424 1.00 11.67 H new ATOM 0 HA GLN A 96 -7.739 11.812 10.844 1.00 12.26 H new ATOM 0 HB2 GLN A 96 -5.699 10.709 12.821 1.00 12.87 H new ATOM 0 HB3 GLN A 96 -6.996 11.815 13.227 1.00 12.87 H new ATOM 0 HG2 GLN A 96 -8.629 10.195 13.076 1.00 13.00 H new ATOM 0 HG3 GLN A 96 -7.762 9.266 11.869 1.00 13.00 H new ATOM 0 HE21 GLN A 96 -8.001 10.052 15.308 1.00 14.24 H new ATOM 0 HE22 GLN A 96 -7.098 8.651 15.894 1.00 14.24 H new ATOM 1494 N ASN A 97 -6.335 13.885 11.396 1.00 12.50 N ATOM 1495 CA ASN A 97 -5.568 15.118 11.373 1.00 12.84 C ATOM 1496 C ASN A 97 -4.965 15.355 12.750 1.00 13.26 C ATOM 1497 O ASN A 97 -5.543 14.954 13.762 1.00 13.46 O ATOM 1498 CB ASN A 97 -6.451 16.307 10.984 1.00 12.77 C ATOM 1499 CG ASN A 97 -6.832 16.317 9.518 1.00 13.20 C ATOM 1500 OD1 ASN A 97 -6.086 15.839 8.663 1.00 13.83 O ATOM 1501 ND2 ASN A 97 -7.996 16.872 9.220 1.00 13.02 N ATOM 0 H ASN A 97 -7.292 13.991 11.733 1.00 12.50 H new ATOM 0 HA ASN A 97 -4.777 15.025 10.629 1.00 12.84 H new ATOM 0 HB2 ASN A 97 -7.358 16.290 11.588 1.00 12.77 H new ATOM 0 HB3 ASN A 97 -5.927 17.233 11.222 1.00 12.77 H new ATOM 0 HD21 ASN A 97 -8.307 16.916 8.249 1.00 13.02 H new ATOM 0 HD22 ASN A 97 -8.583 17.256 9.961 1.00 13.02 H new ATOM 1508 N PRO A 98 -3.794 15.998 12.818 1.00 13.57 N ATOM 1509 CA PRO A 98 -3.122 16.278 14.086 1.00 14.16 C ATOM 1510 C PRO A 98 -3.655 17.539 14.767 1.00 14.64 C ATOM 1511 O PRO A 98 -3.009 18.102 15.651 1.00 15.34 O ATOM 1512 CB PRO A 98 -1.670 16.475 13.657 1.00 14.43 C ATOM 1513 CG PRO A 98 -1.755 17.038 12.278 1.00 14.13 C ATOM 1514 CD PRO A 98 -3.018 16.487 11.662 1.00 13.56 C ATOM 0 HA PRO A 98 -3.271 15.484 14.818 1.00 14.16 H new ATOM 0 HB2 PRO A 98 -1.147 17.154 14.330 1.00 14.43 H new ATOM 0 HB3 PRO A 98 -1.123 15.532 13.667 1.00 14.43 H new ATOM 0 HG2 PRO A 98 -1.781 18.127 12.306 1.00 14.13 H new ATOM 0 HG3 PRO A 98 -0.882 16.755 11.690 1.00 14.13 H new ATOM 0 HD2 PRO A 98 -3.562 17.255 11.112 1.00 13.56 H new ATOM 0 HD3 PRO A 98 -2.801 15.684 10.958 1.00 13.56 H new ATOM 1522 N TYR A 99 -4.840 17.971 14.361 1.00 14.40 N ATOM 1523 CA TYR A 99 -5.442 19.171 14.923 1.00 14.96 C ATOM 1524 C TYR A 99 -6.445 18.816 16.016 1.00 14.99 C ATOM 1525 O TYR A 99 -6.227 19.108 17.190 1.00 15.65 O ATOM 1526 CB TYR A 99 -6.123 19.991 13.824 1.00 15.01 C ATOM 1527 CG TYR A 99 -5.302 20.114 12.556 1.00 14.39 C ATOM 1528 CD1 TYR A 99 -3.982 20.552 12.589 1.00 14.95 C ATOM 1529 CD2 TYR A 99 -5.850 19.785 11.326 1.00 14.52 C ATOM 1530 CE1 TYR A 99 -3.234 20.650 11.430 1.00 15.60 C ATOM 1531 CE2 TYR A 99 -5.111 19.882 10.163 1.00 15.18 C ATOM 1532 CZ TYR A 99 -3.805 20.315 10.219 1.00 16.89 C ATOM 1533 OH TYR A 99 -3.063 20.401 9.062 1.00 16.50 O ATOM 0 H TYR A 99 -5.403 17.510 13.646 1.00 14.40 H new ATOM 0 HA TYR A 99 -4.649 19.771 15.369 1.00 14.96 H new ATOM 0 HB2 TYR A 99 -7.082 19.532 13.582 1.00 15.01 H new ATOM 0 HB3 TYR A 99 -6.335 20.989 14.207 1.00 15.01 H new ATOM 0 HD1 TYR A 99 -3.534 20.820 13.535 1.00 14.95 H new ATOM 0 HD2 TYR A 99 -6.874 19.446 11.276 1.00 14.52 H new ATOM 0 HE1 TYR A 99 -2.209 20.987 11.472 1.00 15.60 H new ATOM 0 HE2 TYR A 99 -5.555 19.619 9.214 1.00 15.18 H new ATOM 0 HH TYR A 99 -3.614 20.128 8.299 1.00 16.50 H new ATOM 1543 N SER A 100 -7.534 18.172 15.630 1.00 14.39 N ATOM 1544 CA SER A 100 -8.566 17.782 16.579 1.00 14.53 C ATOM 1545 C SER A 100 -8.854 16.286 16.472 1.00 14.18 C ATOM 1546 O SER A 100 -9.918 15.816 16.885 1.00 14.16 O ATOM 1547 CB SER A 100 -9.841 18.592 16.327 1.00 14.72 C ATOM 1548 OG SER A 100 -9.545 19.969 16.150 1.00 14.89 O ATOM 0 H SER A 100 -7.727 17.907 14.664 1.00 14.39 H new ATOM 0 HA SER A 100 -8.211 17.990 17.588 1.00 14.53 H new ATOM 0 HB2 SER A 100 -10.350 18.210 15.442 1.00 14.72 H new ATOM 0 HB3 SER A 100 -10.526 18.469 17.166 1.00 14.72 H new ATOM 0 HG SER A 100 -10.375 20.464 15.989 1.00 14.89 H new ATOM 1554 N ASP A 101 -7.896 15.551 15.903 1.00 14.07 N ATOM 1555 CA ASP A 101 -8.004 14.099 15.728 1.00 13.92 C ATOM 1556 C ASP A 101 -9.207 13.742 14.856 1.00 13.12 C ATOM 1557 O ASP A 101 -9.849 12.707 15.043 1.00 13.21 O ATOM 1558 CB ASP A 101 -8.101 13.392 17.088 1.00 14.53 C ATOM 1559 CG ASP A 101 -7.716 11.925 17.016 1.00 14.57 C ATOM 1560 OD1 ASP A 101 -6.544 11.625 16.708 1.00 14.75 O ATOM 1561 OD2 ASP A 101 -8.580 11.061 17.280 1.00 14.77 O ATOM 0 H ASP A 101 -7.023 15.944 15.550 1.00 14.07 H new ATOM 0 HA ASP A 101 -7.101 13.755 15.223 1.00 13.92 H new ATOM 0 HB2 ASP A 101 -7.453 13.899 17.803 1.00 14.53 H new ATOM 0 HB3 ASP A 101 -9.120 13.478 17.465 1.00 14.53 H new ATOM 1566 N GLU A 102 -9.506 14.608 13.898 1.00 12.49 N ATOM 1567 CA GLU A 102 -10.631 14.392 12.997 1.00 11.85 C ATOM 1568 C GLU A 102 -10.259 13.373 11.928 1.00 11.00 C ATOM 1569 O GLU A 102 -9.156 13.416 11.384 1.00 10.88 O ATOM 1570 CB GLU A 102 -11.065 15.703 12.327 1.00 11.92 C ATOM 1571 CG GLU A 102 -10.615 16.962 13.052 1.00 12.55 C ATOM 1572 CD GLU A 102 -9.240 17.423 12.617 1.00 12.62 C ATOM 1573 OE1 GLU A 102 -9.136 18.081 11.560 1.00 12.82 O ATOM 1574 OE2 GLU A 102 -8.260 17.124 13.330 1.00 12.95 O ATOM 0 H GLU A 102 -8.985 15.468 13.724 1.00 12.49 H new ATOM 0 HA GLU A 102 -11.465 14.013 13.588 1.00 11.85 H new ATOM 0 HB2 GLU A 102 -10.672 15.724 11.311 1.00 11.92 H new ATOM 0 HB3 GLU A 102 -12.152 15.713 12.248 1.00 11.92 H new ATOM 0 HG2 GLU A 102 -11.336 17.759 12.870 1.00 12.55 H new ATOM 0 HG3 GLU A 102 -10.609 16.776 14.126 1.00 12.55 H new ATOM 1581 N ILE A 103 -11.168 12.454 11.640 1.00 10.60 N ATOM 1582 CA ILE A 103 -10.922 11.437 10.628 1.00 9.97 C ATOM 1583 C ILE A 103 -11.477 11.896 9.290 1.00 9.53 C ATOM 1584 O ILE A 103 -12.687 12.050 9.132 1.00 9.56 O ATOM 1585 CB ILE A 103 -11.562 10.082 11.003 1.00 10.32 C ATOM 1586 CG1 ILE A 103 -11.155 9.675 12.421 1.00 10.72 C ATOM 1587 CG2 ILE A 103 -11.159 9.010 9.998 1.00 10.45 C ATOM 1588 CD1 ILE A 103 -11.829 8.410 12.909 1.00 11.11 C ATOM 0 H ILE A 103 -12.081 12.391 12.091 1.00 10.60 H new ATOM 0 HA ILE A 103 -9.843 11.296 10.563 1.00 9.97 H new ATOM 0 HB ILE A 103 -12.646 10.188 10.975 1.00 10.32 H new ATOM 0 HG12 ILE A 103 -10.074 9.536 12.453 1.00 10.72 H new ATOM 0 HG13 ILE A 103 -11.392 10.490 13.105 1.00 10.72 H new ATOM 0 HG21 ILE A 103 -11.617 8.061 10.275 1.00 10.45 H new ATOM 0 HG22 ILE A 103 -11.496 9.299 9.003 1.00 10.45 H new ATOM 0 HG23 ILE A 103 -10.074 8.902 9.996 1.00 10.45 H new ATOM 0 HD11 ILE A 103 -11.491 8.185 13.921 1.00 11.11 H new ATOM 0 HD12 ILE A 103 -12.910 8.551 12.910 1.00 11.11 H new ATOM 0 HD13 ILE A 103 -11.572 7.582 12.248 1.00 11.11 H new ATOM 1600 N GLU A 104 -10.595 12.123 8.333 1.00 9.35 N ATOM 1601 CA GLU A 104 -11.013 12.575 7.014 1.00 9.23 C ATOM 1602 C GLU A 104 -11.580 11.416 6.199 1.00 8.49 C ATOM 1603 O GLU A 104 -12.707 11.484 5.703 1.00 7.95 O ATOM 1604 CB GLU A 104 -9.843 13.229 6.277 1.00 9.71 C ATOM 1605 CG GLU A 104 -9.145 14.310 7.091 1.00 10.37 C ATOM 1606 CD GLU A 104 -8.563 15.409 6.228 1.00 11.10 C ATOM 1607 OE1 GLU A 104 -7.671 15.120 5.403 1.00 11.22 O ATOM 1608 OE2 GLU A 104 -8.992 16.576 6.376 1.00 11.65 O ATOM 0 H GLU A 104 -9.588 12.003 8.442 1.00 9.35 H new ATOM 0 HA GLU A 104 -11.800 13.318 7.141 1.00 9.23 H new ATOM 0 HB2 GLU A 104 -9.117 12.461 6.008 1.00 9.71 H new ATOM 0 HB3 GLU A 104 -10.207 13.663 5.346 1.00 9.71 H new ATOM 0 HG2 GLU A 104 -9.855 14.744 7.795 1.00 10.37 H new ATOM 0 HG3 GLU A 104 -8.348 13.857 7.681 1.00 10.37 H new ATOM 1615 N TYR A 105 -10.808 10.346 6.086 1.00 8.69 N ATOM 1616 CA TYR A 105 -11.229 9.173 5.335 1.00 8.30 C ATOM 1617 C TYR A 105 -10.457 7.945 5.788 1.00 8.30 C ATOM 1618 O TYR A 105 -9.627 8.019 6.699 1.00 8.50 O ATOM 1619 CB TYR A 105 -11.035 9.392 3.826 1.00 8.40 C ATOM 1620 CG TYR A 105 -9.693 9.978 3.446 1.00 8.90 C ATOM 1621 CD1 TYR A 105 -8.556 9.181 3.358 1.00 9.14 C ATOM 1622 CD2 TYR A 105 -9.566 11.331 3.172 1.00 9.14 C ATOM 1623 CE1 TYR A 105 -7.333 9.723 3.010 1.00 9.56 C ATOM 1624 CE2 TYR A 105 -8.350 11.874 2.824 1.00 9.54 C ATOM 1625 CZ TYR A 105 -7.238 11.070 2.744 1.00 9.84 C ATOM 1626 OH TYR A 105 -6.028 11.620 2.400 1.00 10.30 O ATOM 0 H TYR A 105 -9.882 10.266 6.507 1.00 8.69 H new ATOM 0 HA TYR A 105 -12.290 9.012 5.527 1.00 8.30 H new ATOM 0 HB2 TYR A 105 -11.159 8.438 3.314 1.00 8.40 H new ATOM 0 HB3 TYR A 105 -11.822 10.053 3.463 1.00 8.40 H new ATOM 0 HD1 TYR A 105 -8.630 8.124 3.565 1.00 9.14 H new ATOM 0 HD2 TYR A 105 -10.435 11.969 3.233 1.00 9.14 H new ATOM 0 HE1 TYR A 105 -6.458 9.094 2.947 1.00 9.56 H new ATOM 0 HE2 TYR A 105 -8.270 12.930 2.614 1.00 9.54 H new ATOM 0 HH TYR A 105 -6.138 12.581 2.245 1.00 10.30 H new ATOM 1636 N ILE A 106 -10.731 6.820 5.148 1.00 8.31 N ATOM 1637 CA ILE A 106 -10.069 5.571 5.474 1.00 8.58 C ATOM 1638 C ILE A 106 -9.190 5.127 4.313 1.00 7.97 C ATOM 1639 O ILE A 106 -9.686 4.852 3.216 1.00 7.37 O ATOM 1640 CB ILE A 106 -11.086 4.456 5.801 1.00 9.05 C ATOM 1641 CG1 ILE A 106 -12.142 4.972 6.785 1.00 9.92 C ATOM 1642 CG2 ILE A 106 -10.374 3.235 6.371 1.00 9.27 C ATOM 1643 CD1 ILE A 106 -13.313 4.031 6.972 1.00 10.29 C ATOM 0 H ILE A 106 -11.414 6.748 4.394 1.00 8.31 H new ATOM 0 HA ILE A 106 -9.456 5.745 6.358 1.00 8.58 H new ATOM 0 HB ILE A 106 -11.587 4.161 4.879 1.00 9.05 H new ATOM 0 HG12 ILE A 106 -11.670 5.147 7.752 1.00 9.92 H new ATOM 0 HG13 ILE A 106 -12.514 5.934 6.433 1.00 9.92 H new ATOM 0 HG21 ILE A 106 -11.106 2.459 6.596 1.00 9.27 H new ATOM 0 HG22 ILE A 106 -9.658 2.858 5.641 1.00 9.27 H new ATOM 0 HG23 ILE A 106 -9.849 3.514 7.284 1.00 9.27 H new ATOM 0 HD11 ILE A 106 -14.018 4.464 7.682 1.00 10.29 H new ATOM 0 HD12 ILE A 106 -13.811 3.875 6.015 1.00 10.29 H new ATOM 0 HD13 ILE A 106 -12.954 3.075 7.354 1.00 10.29 H new ATOM 1655 N ILE A 107 -7.889 5.075 4.553 1.00 8.33 N ATOM 1656 CA ILE A 107 -6.939 4.662 3.535 1.00 8.06 C ATOM 1657 C ILE A 107 -6.860 3.145 3.487 1.00 8.29 C ATOM 1658 O ILE A 107 -6.206 2.520 4.318 1.00 8.62 O ATOM 1659 CB ILE A 107 -5.533 5.240 3.800 1.00 8.25 C ATOM 1660 CG1 ILE A 107 -5.584 6.769 3.855 1.00 8.19 C ATOM 1661 CG2 ILE A 107 -4.551 4.775 2.732 1.00 8.99 C ATOM 1662 CD1 ILE A 107 -4.238 7.417 4.110 1.00 8.61 C ATOM 0 H ILE A 107 -7.466 5.315 5.450 1.00 8.33 H new ATOM 0 HA ILE A 107 -7.291 5.048 2.578 1.00 8.06 H new ATOM 0 HB ILE A 107 -5.187 4.872 4.766 1.00 8.25 H new ATOM 0 HG12 ILE A 107 -5.985 7.144 2.913 1.00 8.19 H new ATOM 0 HG13 ILE A 107 -6.277 7.072 4.640 1.00 8.19 H new ATOM 0 HG21 ILE A 107 -3.566 5.193 2.937 1.00 8.99 H new ATOM 0 HG22 ILE A 107 -4.492 3.687 2.741 1.00 8.99 H new ATOM 0 HG23 ILE A 107 -4.892 5.112 1.753 1.00 8.99 H new ATOM 0 HD11 ILE A 107 -4.355 8.500 4.135 1.00 8.61 H new ATOM 0 HD12 ILE A 107 -3.843 7.072 5.066 1.00 8.61 H new ATOM 0 HD13 ILE A 107 -3.546 7.145 3.313 1.00 8.61 H new ATOM 1674 N CYS A 108 -7.544 2.556 2.527 1.00 8.31 N ATOM 1675 CA CYS A 108 -7.552 1.115 2.387 1.00 8.72 C ATOM 1676 C CYS A 108 -6.497 0.649 1.391 1.00 8.90 C ATOM 1677 O CYS A 108 -6.565 0.967 0.205 1.00 8.95 O ATOM 1678 CB CYS A 108 -8.937 0.639 1.953 1.00 8.88 C ATOM 1679 SG CYS A 108 -10.155 0.639 3.288 1.00 9.83 S ATOM 0 H CYS A 108 -8.101 3.053 1.833 1.00 8.31 H new ATOM 0 HA CYS A 108 -7.311 0.679 3.357 1.00 8.72 H new ATOM 0 HB2 CYS A 108 -9.295 1.278 1.146 1.00 8.88 H new ATOM 0 HB3 CYS A 108 -8.855 -0.370 1.548 1.00 8.88 H new ATOM 0 HG CYS A 108 -11.223 1.271 2.901 1.00 9.83 H new ATOM 1685 N THR A 109 -5.513 -0.081 1.885 1.00 9.18 N ATOM 1686 CA THR A 109 -4.460 -0.615 1.038 1.00 9.57 C ATOM 1687 C THR A 109 -4.907 -1.965 0.485 1.00 9.52 C ATOM 1688 O THR A 109 -4.735 -3.002 1.126 1.00 9.93 O ATOM 1689 CB THR A 109 -3.144 -0.770 1.824 1.00 10.24 C ATOM 1690 OG1 THR A 109 -2.945 0.378 2.665 1.00 10.47 O ATOM 1691 CG2 THR A 109 -1.963 -0.920 0.877 1.00 10.84 C ATOM 0 H THR A 109 -5.421 -0.319 2.873 1.00 9.18 H new ATOM 0 HA THR A 109 -4.276 0.079 0.218 1.00 9.57 H new ATOM 0 HB THR A 109 -3.212 -1.668 2.438 1.00 10.24 H new ATOM 0 HG1 THR A 109 -3.547 0.327 3.436 1.00 10.47 H new ATOM 0 HG21 THR A 109 -1.045 -1.028 1.455 1.00 10.84 H new ATOM 0 HG22 THR A 109 -2.106 -1.803 0.254 1.00 10.84 H new ATOM 0 HG23 THR A 109 -1.891 -0.037 0.243 1.00 10.84 H new ATOM 1699 N ASN A 110 -5.502 -1.936 -0.695 1.00 9.26 N ATOM 1700 CA ASN A 110 -6.016 -3.140 -1.328 1.00 9.45 C ATOM 1701 C ASN A 110 -4.909 -3.963 -1.973 1.00 9.54 C ATOM 1702 O ASN A 110 -4.460 -3.653 -3.073 1.00 9.73 O ATOM 1703 CB ASN A 110 -7.064 -2.772 -2.382 1.00 10.33 C ATOM 1704 CG ASN A 110 -8.458 -2.625 -1.802 1.00 10.50 C ATOM 1705 OD1 ASN A 110 -8.627 -2.317 -0.626 1.00 10.11 O ATOM 1706 ND2 ASN A 110 -9.471 -2.847 -2.627 1.00 11.26 N ATOM 0 H ASN A 110 -5.642 -1.084 -1.239 1.00 9.26 H new ATOM 0 HA ASN A 110 -6.473 -3.749 -0.548 1.00 9.45 H new ATOM 0 HB2 ASN A 110 -6.776 -1.837 -2.863 1.00 10.33 H new ATOM 0 HB3 ASN A 110 -7.077 -3.538 -3.157 1.00 10.33 H new ATOM 0 HD21 ASN A 110 -10.430 -2.764 -2.291 1.00 11.26 H new ATOM 0 HD22 ASN A 110 -9.291 -3.101 -3.598 1.00 11.26 H new ATOM 1713 N THR A 111 -4.464 -5.000 -1.275 1.00 9.61 N ATOM 1714 CA THR A 111 -3.434 -5.886 -1.797 1.00 9.91 C ATOM 1715 C THR A 111 -4.052 -7.227 -2.189 1.00 10.65 C ATOM 1716 O THR A 111 -4.606 -7.933 -1.344 1.00 11.22 O ATOM 1717 CB THR A 111 -2.315 -6.132 -0.767 1.00 9.68 C ATOM 1718 OG1 THR A 111 -2.141 -4.977 0.067 1.00 9.38 O ATOM 1719 CG2 THR A 111 -1.005 -6.453 -1.471 1.00 9.85 C ATOM 0 H THR A 111 -4.801 -5.248 -0.345 1.00 9.61 H new ATOM 0 HA THR A 111 -2.997 -5.401 -2.670 1.00 9.91 H new ATOM 0 HB THR A 111 -2.603 -6.981 -0.147 1.00 9.68 H new ATOM 0 HG1 THR A 111 -2.486 -5.167 0.965 1.00 9.38 H new ATOM 0 HG21 THR A 111 -0.225 -6.624 -0.729 1.00 9.85 H new ATOM 0 HG22 THR A 111 -1.129 -7.349 -2.080 1.00 9.85 H new ATOM 0 HG23 THR A 111 -0.721 -5.617 -2.110 1.00 9.85 H new ATOM 1727 N ASN A 112 -3.975 -7.569 -3.468 1.00 10.79 N ATOM 1728 CA ASN A 112 -4.535 -8.824 -3.951 1.00 11.60 C ATOM 1729 C ASN A 112 -3.640 -9.996 -3.584 1.00 12.13 C ATOM 1730 O ASN A 112 -2.430 -9.968 -3.816 1.00 12.20 O ATOM 1731 CB ASN A 112 -4.748 -8.788 -5.469 1.00 11.56 C ATOM 1732 CG ASN A 112 -4.936 -10.177 -6.066 1.00 12.27 C ATOM 1733 OD1 ASN A 112 -4.040 -10.713 -6.723 1.00 12.78 O ATOM 1734 ND2 ASN A 112 -6.097 -10.772 -5.835 1.00 12.44 N ATOM 0 H ASN A 112 -3.532 -6.998 -4.187 1.00 10.79 H new ATOM 0 HA ASN A 112 -5.503 -8.956 -3.467 1.00 11.60 H new ATOM 0 HB2 ASN A 112 -5.622 -8.178 -5.695 1.00 11.56 H new ATOM 0 HB3 ASN A 112 -3.892 -8.306 -5.941 1.00 11.56 H new ATOM 0 HD21 ASN A 112 -6.274 -11.706 -6.205 1.00 12.44 H new ATOM 0 HD22 ASN A 112 -6.814 -10.296 -5.287 1.00 12.44 H new ATOM 1741 N VAL A 113 -4.246 -11.019 -3.005 1.00 12.66 N ATOM 1742 CA VAL A 113 -3.524 -12.212 -2.612 1.00 13.37 C ATOM 1743 C VAL A 113 -3.826 -13.337 -3.592 1.00 13.66 C ATOM 1744 O VAL A 113 -2.923 -13.920 -4.189 1.00 13.93 O ATOM 1745 CB VAL A 113 -3.901 -12.661 -1.181 1.00 14.08 C ATOM 1746 CG1 VAL A 113 -3.025 -13.821 -0.724 1.00 14.64 C ATOM 1747 CG2 VAL A 113 -3.803 -11.495 -0.208 1.00 14.08 C ATOM 0 H VAL A 113 -5.244 -11.044 -2.797 1.00 12.66 H new ATOM 0 HA VAL A 113 -2.459 -11.979 -2.624 1.00 13.37 H new ATOM 0 HB VAL A 113 -4.935 -13.007 -1.197 1.00 14.08 H new ATOM 0 HG11 VAL A 113 -3.311 -14.117 0.285 1.00 14.64 H new ATOM 0 HG12 VAL A 113 -3.157 -14.665 -1.401 1.00 14.64 H new ATOM 0 HG13 VAL A 113 -1.980 -13.512 -0.729 1.00 14.64 H new ATOM 0 HG21 VAL A 113 -4.072 -11.833 0.793 1.00 14.08 H new ATOM 0 HG22 VAL A 113 -2.782 -11.113 -0.200 1.00 14.08 H new ATOM 0 HG23 VAL A 113 -4.484 -10.703 -0.519 1.00 14.08 H new ATOM 1757 N LYS A 114 -5.108 -13.617 -3.767 1.00 13.72 N ATOM 1758 CA LYS A 114 -5.555 -14.670 -4.665 1.00 14.09 C ATOM 1759 C LYS A 114 -6.755 -14.191 -5.474 1.00 14.38 C ATOM 1760 O LYS A 114 -6.548 -13.423 -6.435 1.00 14.73 O ATOM 1761 CB LYS A 114 -5.918 -15.928 -3.870 1.00 14.21 C ATOM 1762 CG LYS A 114 -4.717 -16.654 -3.281 1.00 14.60 C ATOM 1763 CD LYS A 114 -5.103 -17.511 -2.086 1.00 14.94 C ATOM 1764 CE LYS A 114 -6.205 -18.499 -2.435 1.00 15.49 C ATOM 1765 NZ LYS A 114 -6.419 -19.492 -1.353 1.00 16.02 N ATOM 0 H LYS A 114 -5.864 -13.123 -3.293 1.00 13.72 H new ATOM 0 HA LYS A 114 -4.744 -14.916 -5.351 1.00 14.09 H new ATOM 0 HB2 LYS A 114 -6.595 -15.652 -3.062 1.00 14.21 H new ATOM 0 HB3 LYS A 114 -6.461 -16.613 -4.521 1.00 14.21 H new ATOM 0 HG2 LYS A 114 -4.261 -17.282 -4.046 1.00 14.60 H new ATOM 0 HG3 LYS A 114 -3.965 -15.925 -2.978 1.00 14.60 H new ATOM 0 HD2 LYS A 114 -4.227 -18.053 -1.729 1.00 14.94 H new ATOM 0 HD3 LYS A 114 -5.435 -16.869 -1.270 1.00 14.94 H new ATOM 0 HE2 LYS A 114 -7.133 -17.958 -2.620 1.00 15.49 H new ATOM 0 HE3 LYS A 114 -5.949 -19.018 -3.359 1.00 15.49 H new ATOM 0 HZ1 LYS A 114 -7.178 -20.148 -1.629 1.00 16.02 H new ATOM 0 HZ2 LYS A 114 -5.541 -20.026 -1.193 1.00 16.02 H new ATOM 0 HZ3 LYS A 114 -6.688 -18.999 -0.478 1.00 16.02 H new TER 1779 LYS A 114 ATOM 1780 N CYS B 7 0.113 -17.570 8.164 1.00 7.31 N ATOM 1781 CA CYS B 7 1.369 -16.986 7.652 1.00 7.09 C ATOM 1782 C CYS B 7 1.064 -15.883 6.647 1.00 6.74 C ATOM 1783 O CYS B 7 -0.055 -15.788 6.141 1.00 6.90 O ATOM 1784 CB CYS B 7 2.230 -18.070 7.001 1.00 7.27 C ATOM 1785 SG CYS B 7 2.723 -19.399 8.126 1.00 7.49 S ATOM 0 HA CYS B 7 1.921 -16.556 8.488 1.00 7.09 H new ATOM 0 HB2 CYS B 7 1.680 -18.502 6.165 1.00 7.27 H new ATOM 0 HB3 CYS B 7 3.126 -17.607 6.588 1.00 7.27 H new ATOM 0 HG CYS B 7 3.445 -20.267 7.482 1.00 7.49 H new ATOM 1791 N GLN B 8 2.049 -15.042 6.374 1.00 6.40 N ATOM 1792 CA GLN B 8 1.883 -13.950 5.428 1.00 6.15 C ATOM 1793 C GLN B 8 2.888 -14.082 4.289 1.00 5.98 C ATOM 1794 O GLN B 8 3.964 -14.655 4.471 1.00 5.98 O ATOM 1795 CB GLN B 8 2.045 -12.601 6.135 1.00 6.04 C ATOM 1796 CG GLN B 8 0.846 -12.212 6.985 1.00 6.41 C ATOM 1797 CD GLN B 8 -0.418 -12.030 6.165 1.00 6.68 C ATOM 1798 OE1 GLN B 8 -0.702 -10.939 5.672 1.00 6.77 O ATOM 1799 NE2 GLN B 8 -1.188 -13.093 6.007 1.00 7.12 N ATOM 0 H GLN B 8 2.976 -15.095 6.796 1.00 6.40 H new ATOM 0 HA GLN B 8 0.877 -14.000 5.010 1.00 6.15 H new ATOM 0 HB2 GLN B 8 2.932 -12.636 6.767 1.00 6.04 H new ATOM 0 HB3 GLN B 8 2.217 -11.827 5.387 1.00 6.04 H new ATOM 0 HG2 GLN B 8 0.677 -12.979 7.740 1.00 6.41 H new ATOM 0 HG3 GLN B 8 1.067 -11.286 7.515 1.00 6.41 H new ATOM 0 HE21 GLN B 8 -0.922 -13.982 6.430 1.00 7.12 H new ATOM 0 HE22 GLN B 8 -2.048 -13.024 5.462 1.00 7.12 H new ATOM 1808 N PRO B 9 2.543 -13.577 3.095 1.00 5.94 N ATOM 1809 CA PRO B 9 3.416 -13.650 1.922 1.00 5.86 C ATOM 1810 C PRO B 9 4.690 -12.826 2.085 1.00 5.25 C ATOM 1811 O PRO B 9 4.768 -11.930 2.930 1.00 4.75 O ATOM 1812 CB PRO B 9 2.554 -13.086 0.784 1.00 6.04 C ATOM 1813 CG PRO B 9 1.156 -13.085 1.305 1.00 6.18 C ATOM 1814 CD PRO B 9 1.275 -12.899 2.787 1.00 6.07 C ATOM 0 HA PRO B 9 3.760 -14.669 1.745 1.00 5.86 H new ATOM 0 HB2 PRO B 9 2.872 -12.079 0.513 1.00 6.04 H new ATOM 0 HB3 PRO B 9 2.638 -13.700 -0.113 1.00 6.04 H new ATOM 0 HG2 PRO B 9 0.571 -12.282 0.855 1.00 6.18 H new ATOM 0 HG3 PRO B 9 0.649 -14.020 1.067 1.00 6.18 H new ATOM 0 HD2 PRO B 9 1.302 -11.845 3.062 1.00 6.07 H new ATOM 0 HD3 PRO B 9 0.436 -13.346 3.320 1.00 6.07 H new ATOM 1822 N THR B 10 5.687 -13.136 1.268 1.00 5.38 N ATOM 1823 CA THR B 10 6.966 -12.443 1.315 1.00 4.87 C ATOM 1824 C THR B 10 6.914 -11.126 0.543 1.00 4.51 C ATOM 1825 O THR B 10 7.660 -10.919 -0.421 1.00 4.85 O ATOM 1826 CB THR B 10 8.090 -13.330 0.750 1.00 5.16 C ATOM 1827 OG1 THR B 10 7.648 -14.695 0.686 1.00 5.81 O ATOM 1828 CG2 THR B 10 9.337 -13.241 1.616 1.00 5.01 C ATOM 0 H THR B 10 5.633 -13.868 0.560 1.00 5.38 H new ATOM 0 HA THR B 10 7.177 -12.223 2.361 1.00 4.87 H new ATOM 0 HB THR B 10 8.335 -12.976 -0.251 1.00 5.16 H new ATOM 0 HG1 THR B 10 8.366 -15.255 0.324 1.00 5.81 H new ATOM 0 HG21 THR B 10 10.117 -13.876 1.197 1.00 5.01 H new ATOM 0 HG22 THR B 10 9.686 -12.209 1.646 1.00 5.01 H new ATOM 0 HG23 THR B 10 9.102 -13.574 2.627 1.00 5.01 H new ATOM 1836 N GLU B 11 6.025 -10.246 0.969 1.00 4.02 N ATOM 1837 CA GLU B 11 5.866 -8.943 0.352 1.00 3.81 C ATOM 1838 C GLU B 11 5.245 -7.994 1.364 1.00 3.79 C ATOM 1839 O GLU B 11 4.556 -8.440 2.275 1.00 4.04 O ATOM 1840 CB GLU B 11 5.006 -9.043 -0.921 1.00 4.37 C ATOM 1841 CG GLU B 11 3.542 -8.657 -0.735 1.00 4.33 C ATOM 1842 CD GLU B 11 2.612 -9.854 -0.703 1.00 5.46 C ATOM 1843 OE1 GLU B 11 2.712 -10.715 -1.603 1.00 5.61 O ATOM 1844 OE2 GLU B 11 1.764 -9.926 0.211 1.00 5.85 O ATOM 0 H GLU B 11 5.394 -10.415 1.752 1.00 4.02 H new ATOM 0 HA GLU B 11 6.840 -8.558 0.052 1.00 3.81 H new ATOM 0 HB2 GLU B 11 5.441 -8.403 -1.688 1.00 4.37 H new ATOM 0 HB3 GLU B 11 5.053 -10.066 -1.295 1.00 4.37 H new ATOM 0 HG2 GLU B 11 3.435 -8.096 0.194 1.00 4.33 H new ATOM 0 HG3 GLU B 11 3.242 -7.992 -1.545 1.00 4.33 H new ATOM 1851 N PHE B 12 5.503 -6.703 1.226 1.00 3.64 N ATOM 1852 CA PHE B 12 4.943 -5.724 2.148 1.00 3.90 C ATOM 1853 C PHE B 12 4.925 -4.331 1.534 1.00 3.61 C ATOM 1854 O PHE B 12 5.665 -4.040 0.592 1.00 3.37 O ATOM 1855 CB PHE B 12 5.708 -5.714 3.484 1.00 3.97 C ATOM 1856 CG PHE B 12 7.110 -5.169 3.416 1.00 5.41 C ATOM 1857 CD1 PHE B 12 8.149 -5.939 2.921 1.00 5.81 C ATOM 1858 CD2 PHE B 12 7.390 -3.891 3.871 1.00 5.41 C ATOM 1859 CE1 PHE B 12 9.439 -5.445 2.875 1.00 6.08 C ATOM 1860 CE2 PHE B 12 8.676 -3.392 3.832 1.00 5.75 C ATOM 1861 CZ PHE B 12 9.702 -4.169 3.332 1.00 4.19 C ATOM 0 H PHE B 12 6.091 -6.310 0.491 1.00 3.64 H new ATOM 0 HA PHE B 12 3.913 -6.019 2.348 1.00 3.90 H new ATOM 0 HB2 PHE B 12 5.141 -5.125 4.205 1.00 3.97 H new ATOM 0 HB3 PHE B 12 5.750 -6.733 3.868 1.00 3.97 H new ATOM 0 HD1 PHE B 12 7.949 -6.939 2.566 1.00 5.81 H new ATOM 0 HD2 PHE B 12 6.592 -3.277 4.261 1.00 5.41 H new ATOM 0 HE1 PHE B 12 10.239 -6.055 2.483 1.00 6.08 H new ATOM 0 HE2 PHE B 12 8.880 -2.394 4.192 1.00 5.75 H new ATOM 0 HZ PHE B 12 10.709 -3.779 3.298 1.00 4.19 H new ATOM 1871 N ILE B 13 4.066 -3.481 2.073 1.00 4.06 N ATOM 1872 CA ILE B 13 3.930 -2.115 1.595 1.00 4.31 C ATOM 1873 C ILE B 13 4.823 -1.185 2.407 1.00 4.64 C ATOM 1874 O ILE B 13 4.645 -1.033 3.620 1.00 5.17 O ATOM 1875 CB ILE B 13 2.465 -1.630 1.689 1.00 4.65 C ATOM 1876 CG1 ILE B 13 1.505 -2.679 1.112 1.00 5.25 C ATOM 1877 CG2 ILE B 13 2.296 -0.301 0.972 1.00 4.81 C ATOM 1878 CD1 ILE B 13 1.858 -3.134 -0.289 1.00 5.57 C ATOM 0 H ILE B 13 3.447 -3.716 2.849 1.00 4.06 H new ATOM 0 HA ILE B 13 4.234 -2.097 0.548 1.00 4.31 H new ATOM 0 HB ILE B 13 2.221 -1.488 2.742 1.00 4.65 H new ATOM 0 HG12 ILE B 13 1.492 -3.546 1.772 1.00 5.25 H new ATOM 0 HG13 ILE B 13 0.495 -2.268 1.106 1.00 5.25 H new ATOM 0 HG21 ILE B 13 1.259 0.025 1.049 1.00 4.81 H new ATOM 0 HG22 ILE B 13 2.945 0.445 1.430 1.00 4.81 H new ATOM 0 HG23 ILE B 13 2.563 -0.418 -0.078 1.00 4.81 H new ATOM 0 HD11 ILE B 13 1.132 -3.875 -0.625 1.00 5.57 H new ATOM 0 HD12 ILE B 13 1.842 -2.278 -0.964 1.00 5.57 H new ATOM 0 HD13 ILE B 13 2.854 -3.577 -0.288 1.00 5.57 H new ATOM 1890 N SER B 14 5.783 -0.572 1.739 1.00 4.50 N ATOM 1891 CA SER B 14 6.714 0.325 2.400 1.00 4.98 C ATOM 1892 C SER B 14 6.430 1.781 2.042 1.00 5.30 C ATOM 1893 O SER B 14 6.870 2.272 1.003 1.00 4.82 O ATOM 1894 CB SER B 14 8.147 -0.041 2.007 1.00 4.87 C ATOM 1895 OG SER B 14 8.202 -1.337 1.429 1.00 4.53 O ATOM 0 H SER B 14 5.939 -0.679 0.737 1.00 4.50 H new ATOM 0 HA SER B 14 6.590 0.214 3.477 1.00 4.98 H new ATOM 0 HB2 SER B 14 8.532 0.693 1.299 1.00 4.87 H new ATOM 0 HB3 SER B 14 8.790 -0.004 2.887 1.00 4.87 H new ATOM 0 HG SER B 14 8.348 -2.003 2.133 1.00 4.53 H new ATOM 1901 N ARG B 15 5.686 2.464 2.900 1.00 6.21 N ATOM 1902 CA ARG B 15 5.363 3.867 2.680 1.00 6.71 C ATOM 1903 C ARG B 15 6.430 4.728 3.340 1.00 7.20 C ATOM 1904 O ARG B 15 6.499 4.811 4.567 1.00 7.59 O ATOM 1905 CB ARG B 15 3.980 4.200 3.250 1.00 7.25 C ATOM 1906 CG ARG B 15 2.919 3.170 2.905 1.00 7.11 C ATOM 1907 CD ARG B 15 1.694 3.304 3.794 1.00 7.81 C ATOM 1908 NE ARG B 15 0.779 4.341 3.322 1.00 7.98 N ATOM 1909 CZ ARG B 15 -0.377 4.088 2.708 1.00 8.52 C ATOM 1910 NH1 ARG B 15 -0.788 2.831 2.549 1.00 8.97 N ATOM 1911 NH2 ARG B 15 -1.126 5.092 2.268 1.00 8.77 N ATOM 0 H ARG B 15 5.294 2.070 3.755 1.00 6.21 H new ATOM 0 HA ARG B 15 5.340 4.069 1.609 1.00 6.71 H new ATOM 0 HB2 ARG B 15 4.053 4.285 4.334 1.00 7.25 H new ATOM 0 HB3 ARG B 15 3.666 5.174 2.874 1.00 7.25 H new ATOM 0 HG2 ARG B 15 2.626 3.286 1.862 1.00 7.11 H new ATOM 0 HG3 ARG B 15 3.337 2.169 3.010 1.00 7.11 H new ATOM 0 HD2 ARG B 15 1.169 2.349 3.833 1.00 7.81 H new ATOM 0 HD3 ARG B 15 2.009 3.536 4.811 1.00 7.81 H new ATOM 0 HE ARG B 15 1.040 5.316 3.471 1.00 7.98 H new ATOM 0 HH11 ARG B 15 -0.218 2.060 2.897 1.00 8.97 H new ATOM 0 HH12 ARG B 15 -1.673 2.639 2.079 1.00 8.97 H new ATOM 0 HH21 ARG B 15 -0.817 6.055 2.400 1.00 8.77 H new ATOM 0 HH22 ARG B 15 -2.011 4.900 1.798 1.00 8.77 H new ATOM 1925 N HIS B 16 7.274 5.348 2.533 1.00 7.22 N ATOM 1926 CA HIS B 16 8.352 6.174 3.059 1.00 7.74 C ATOM 1927 C HIS B 16 8.490 7.472 2.278 1.00 8.16 C ATOM 1928 O HIS B 16 7.956 7.601 1.178 1.00 8.31 O ATOM 1929 CB HIS B 16 9.681 5.407 3.030 1.00 7.44 C ATOM 1930 CG HIS B 16 10.122 4.979 1.662 1.00 7.53 C ATOM 1931 ND1 HIS B 16 10.677 5.840 0.739 1.00 7.88 N ATOM 1932 CD2 HIS B 16 10.093 3.766 1.068 1.00 7.45 C ATOM 1933 CE1 HIS B 16 10.968 5.174 -0.359 1.00 7.94 C ATOM 1934 NE2 HIS B 16 10.624 3.912 -0.189 1.00 7.70 N ATOM 0 H HIS B 16 7.236 5.297 1.515 1.00 7.22 H new ATOM 0 HA HIS B 16 8.102 6.421 4.091 1.00 7.74 H new ATOM 0 HB2 HIS B 16 10.457 6.034 3.469 1.00 7.44 H new ATOM 0 HB3 HIS B 16 9.590 4.523 3.662 1.00 7.44 H new ATOM 0 HD1 HIS B 16 10.837 6.837 0.884 1.00 7.88 H new ATOM 0 HD2 HIS B 16 9.721 2.850 1.502 1.00 7.45 H new ATOM 0 HE1 HIS B 16 11.414 5.591 -1.250 1.00 7.94 H new ATOM 1943 N ASN B 17 9.228 8.417 2.845 1.00 8.44 N ATOM 1944 CA ASN B 17 9.448 9.706 2.200 1.00 8.93 C ATOM 1945 C ASN B 17 10.504 9.574 1.098 1.00 8.16 C ATOM 1946 O ASN B 17 11.073 8.492 0.907 1.00 7.25 O ATOM 1947 CB ASN B 17 9.845 10.770 3.243 1.00 9.72 C ATOM 1948 CG ASN B 17 11.336 10.847 3.531 1.00 10.00 C ATOM 1949 OD1 ASN B 17 12.050 9.845 3.487 1.00 9.52 O ATOM 1950 ND2 ASN B 17 11.815 12.046 3.827 1.00 10.83 N ATOM 0 H ASN B 17 9.685 8.316 3.751 1.00 8.44 H new ATOM 0 HA ASN B 17 8.519 10.033 1.734 1.00 8.93 H new ATOM 0 HB2 ASN B 17 9.504 11.745 2.896 1.00 9.72 H new ATOM 0 HB3 ASN B 17 9.318 10.561 4.174 1.00 9.72 H new ATOM 0 HD21 ASN B 17 12.808 12.163 4.029 1.00 10.83 H new ATOM 0 HD22 ASN B 17 11.191 12.852 3.853 1.00 10.83 H new ATOM 1957 N ILE B 18 10.766 10.664 0.387 1.00 8.56 N ATOM 1958 CA ILE B 18 11.737 10.669 -0.712 1.00 7.97 C ATOM 1959 C ILE B 18 13.141 10.241 -0.270 1.00 8.14 C ATOM 1960 O ILE B 18 13.887 9.655 -1.053 1.00 8.11 O ATOM 1961 CB ILE B 18 11.822 12.055 -1.386 1.00 8.20 C ATOM 1962 CG1 ILE B 18 12.035 13.157 -0.340 1.00 8.36 C ATOM 1963 CG2 ILE B 18 10.567 12.319 -2.205 1.00 8.89 C ATOM 1964 CD1 ILE B 18 12.277 14.525 -0.939 1.00 8.53 C ATOM 0 H ILE B 18 10.318 11.566 0.550 1.00 8.56 H new ATOM 0 HA ILE B 18 11.369 9.935 -1.429 1.00 7.97 H new ATOM 0 HB ILE B 18 12.680 12.062 -2.058 1.00 8.20 H new ATOM 0 HG12 ILE B 18 11.160 13.204 0.309 1.00 8.36 H new ATOM 0 HG13 ILE B 18 12.884 12.890 0.289 1.00 8.36 H new ATOM 0 HG21 ILE B 18 10.639 13.300 -2.675 1.00 8.89 H new ATOM 0 HG22 ILE B 18 10.467 11.554 -2.975 1.00 8.89 H new ATOM 0 HG23 ILE B 18 9.694 12.293 -1.552 1.00 8.89 H new ATOM 0 HD11 ILE B 18 12.419 15.252 -0.140 1.00 8.53 H new ATOM 0 HD12 ILE B 18 13.169 14.495 -1.565 1.00 8.53 H new ATOM 0 HD13 ILE B 18 11.418 14.814 -1.544 1.00 8.53 H new ATOM 1976 N GLU B 19 13.494 10.519 0.981 1.00 8.43 N ATOM 1977 CA GLU B 19 14.816 10.166 1.501 1.00 8.81 C ATOM 1978 C GLU B 19 14.897 8.685 1.865 1.00 8.59 C ATOM 1979 O GLU B 19 15.986 8.129 2.034 1.00 8.52 O ATOM 1980 CB GLU B 19 15.148 11.020 2.722 1.00 9.86 C ATOM 1981 CG GLU B 19 15.361 12.487 2.394 1.00 10.25 C ATOM 1982 CD GLU B 19 15.320 13.368 3.623 1.00 11.31 C ATOM 1983 OE1 GLU B 19 15.725 12.905 4.708 1.00 11.62 O ATOM 1984 OE2 GLU B 19 14.869 14.525 3.510 1.00 11.92 O ATOM 0 H GLU B 19 12.887 10.986 1.654 1.00 8.43 H new ATOM 0 HA GLU B 19 15.545 10.361 0.714 1.00 8.81 H new ATOM 0 HB2 GLU B 19 14.340 10.932 3.448 1.00 9.86 H new ATOM 0 HB3 GLU B 19 16.047 10.627 3.197 1.00 9.86 H new ATOM 0 HG2 GLU B 19 16.323 12.609 1.896 1.00 10.25 H new ATOM 0 HG3 GLU B 19 14.595 12.814 1.691 1.00 10.25 H new ATOM 1991 N GLY B 20 13.745 8.049 1.997 1.00 8.56 N ATOM 1992 CA GLY B 20 13.719 6.644 2.334 1.00 8.44 C ATOM 1993 C GLY B 20 13.250 6.401 3.750 1.00 8.57 C ATOM 1994 O GLY B 20 13.152 5.254 4.180 1.00 8.52 O ATOM 0 H GLY B 20 12.829 8.480 1.877 1.00 8.56 H new ATOM 0 HA2 GLY B 20 13.062 6.119 1.641 1.00 8.44 H new ATOM 0 HA3 GLY B 20 14.717 6.224 2.207 1.00 8.44 H new ATOM 1998 N ILE B 21 12.960 7.480 4.469 1.00 8.85 N ATOM 1999 CA ILE B 21 12.484 7.387 5.843 1.00 9.05 C ATOM 2000 C ILE B 21 11.075 6.809 5.863 1.00 8.72 C ATOM 2001 O ILE B 21 10.129 7.444 5.385 1.00 8.95 O ATOM 2002 CB ILE B 21 12.478 8.767 6.542 1.00 9.94 C ATOM 2003 CG1 ILE B 21 13.896 9.337 6.625 1.00 9.95 C ATOM 2004 CG2 ILE B 21 11.862 8.671 7.934 1.00 10.87 C ATOM 2005 CD1 ILE B 21 14.814 8.563 7.548 1.00 10.51 C ATOM 0 H ILE B 21 13.047 8.434 4.120 1.00 8.85 H new ATOM 0 HA ILE B 21 13.167 6.733 6.385 1.00 9.05 H new ATOM 0 HB ILE B 21 11.867 9.443 5.944 1.00 9.94 H new ATOM 0 HG12 ILE B 21 14.330 9.352 5.625 1.00 9.95 H new ATOM 0 HG13 ILE B 21 13.842 10.371 6.965 1.00 9.95 H new ATOM 0 HG21 ILE B 21 11.870 9.654 8.404 1.00 10.87 H new ATOM 0 HG22 ILE B 21 10.835 8.315 7.854 1.00 10.87 H new ATOM 0 HG23 ILE B 21 12.441 7.974 8.541 1.00 10.87 H new ATOM 0 HD11 ILE B 21 15.800 9.028 7.554 1.00 10.51 H new ATOM 0 HD12 ILE B 21 14.404 8.569 8.558 1.00 10.51 H new ATOM 0 HD13 ILE B 21 14.900 7.534 7.197 1.00 10.51 H new ATOM 2017 N PHE B 22 10.945 5.598 6.389 1.00 8.23 N ATOM 2018 CA PHE B 22 9.654 4.926 6.459 1.00 7.87 C ATOM 2019 C PHE B 22 8.689 5.692 7.352 1.00 7.79 C ATOM 2020 O PHE B 22 9.007 6.012 8.497 1.00 8.12 O ATOM 2021 CB PHE B 22 9.815 3.496 6.973 1.00 7.86 C ATOM 2022 CG PHE B 22 10.535 2.582 6.022 1.00 7.34 C ATOM 2023 CD1 PHE B 22 11.913 2.642 5.885 1.00 7.19 C ATOM 2024 CD2 PHE B 22 9.832 1.653 5.274 1.00 7.10 C ATOM 2025 CE1 PHE B 22 12.576 1.794 5.022 1.00 6.90 C ATOM 2026 CE2 PHE B 22 10.491 0.803 4.407 1.00 6.75 C ATOM 2027 CZ PHE B 22 11.863 0.871 4.282 1.00 6.69 C ATOM 0 H PHE B 22 11.721 5.059 6.775 1.00 8.23 H new ATOM 0 HA PHE B 22 9.242 4.893 5.450 1.00 7.87 H new ATOM 0 HB2 PHE B 22 10.357 3.520 7.918 1.00 7.86 H new ATOM 0 HB3 PHE B 22 8.828 3.082 7.181 1.00 7.86 H new ATOM 0 HD1 PHE B 22 12.475 3.362 6.461 1.00 7.19 H new ATOM 0 HD2 PHE B 22 8.758 1.592 5.369 1.00 7.10 H new ATOM 0 HE1 PHE B 22 13.650 1.852 4.925 1.00 6.90 H new ATOM 0 HE2 PHE B 22 9.931 0.085 3.826 1.00 6.75 H new ATOM 0 HZ PHE B 22 12.379 0.204 3.607 1.00 6.69 H new ATOM 2037 N THR B 23 7.518 5.995 6.814 1.00 7.44 N ATOM 2038 CA THR B 23 6.494 6.717 7.549 1.00 7.38 C ATOM 2039 C THR B 23 5.434 5.748 8.068 1.00 7.22 C ATOM 2040 O THR B 23 4.866 5.943 9.144 1.00 7.91 O ATOM 2041 CB THR B 23 5.833 7.781 6.651 1.00 7.22 C ATOM 2042 OG1 THR B 23 6.808 8.328 5.749 1.00 7.16 O ATOM 2043 CG2 THR B 23 5.227 8.900 7.487 1.00 7.36 C ATOM 0 H THR B 23 7.252 5.748 5.861 1.00 7.44 H new ATOM 0 HA THR B 23 6.967 7.216 8.395 1.00 7.38 H new ATOM 0 HB THR B 23 5.034 7.302 6.084 1.00 7.22 H new ATOM 0 HG1 THR B 23 6.384 9.003 5.179 1.00 7.16 H new ATOM 0 HG21 THR B 23 4.767 9.637 6.829 1.00 7.36 H new ATOM 0 HG22 THR B 23 4.470 8.487 8.154 1.00 7.36 H new ATOM 0 HG23 THR B 23 6.009 9.378 8.077 1.00 7.36 H new ATOM 2051 N PHE B 24 5.186 4.699 7.295 1.00 6.39 N ATOM 2052 CA PHE B 24 4.210 3.683 7.658 1.00 6.27 C ATOM 2053 C PHE B 24 4.542 2.381 6.939 1.00 5.44 C ATOM 2054 O PHE B 24 4.716 2.362 5.719 1.00 4.71 O ATOM 2055 CB PHE B 24 2.795 4.145 7.300 1.00 6.55 C ATOM 2056 CG PHE B 24 1.711 3.325 7.946 1.00 6.80 C ATOM 2057 CD1 PHE B 24 1.511 3.375 9.317 1.00 7.52 C ATOM 2058 CD2 PHE B 24 0.891 2.510 7.182 1.00 6.51 C ATOM 2059 CE1 PHE B 24 0.511 2.629 9.912 1.00 7.89 C ATOM 2060 CE2 PHE B 24 -0.109 1.761 7.773 1.00 6.98 C ATOM 2061 CZ PHE B 24 -0.298 1.820 9.139 1.00 7.64 C ATOM 0 H PHE B 24 5.653 4.530 6.404 1.00 6.39 H new ATOM 0 HA PHE B 24 4.250 3.519 8.735 1.00 6.27 H new ATOM 0 HB2 PHE B 24 2.676 5.187 7.597 1.00 6.55 H new ATOM 0 HB3 PHE B 24 2.672 4.106 6.218 1.00 6.55 H new ATOM 0 HD1 PHE B 24 2.143 4.004 9.927 1.00 7.52 H new ATOM 0 HD2 PHE B 24 1.035 2.460 6.113 1.00 6.51 H new ATOM 0 HE1 PHE B 24 0.363 2.679 10.981 1.00 7.89 H new ATOM 0 HE2 PHE B 24 -0.742 1.130 7.167 1.00 6.98 H new ATOM 0 HZ PHE B 24 -1.078 1.234 9.603 1.00 7.64 H new ATOM 2071 N VAL B 25 4.646 1.301 7.695 1.00 5.71 N ATOM 2072 CA VAL B 25 4.970 0.002 7.122 1.00 5.22 C ATOM 2073 C VAL B 25 3.806 -0.965 7.290 1.00 5.47 C ATOM 2074 O VAL B 25 3.159 -0.995 8.338 1.00 5.85 O ATOM 2075 CB VAL B 25 6.233 -0.609 7.774 1.00 5.58 C ATOM 2076 CG1 VAL B 25 6.707 -1.830 6.998 1.00 5.20 C ATOM 2077 CG2 VAL B 25 7.345 0.424 7.875 1.00 6.10 C ATOM 0 H VAL B 25 4.511 1.296 8.706 1.00 5.71 H new ATOM 0 HA VAL B 25 5.166 0.160 6.061 1.00 5.22 H new ATOM 0 HB VAL B 25 5.969 -0.926 8.783 1.00 5.58 H new ATOM 0 HG11 VAL B 25 7.596 -2.242 7.475 1.00 5.20 H new ATOM 0 HG12 VAL B 25 5.919 -2.583 6.987 1.00 5.20 H new ATOM 0 HG13 VAL B 25 6.946 -1.541 5.975 1.00 5.20 H new ATOM 0 HG21 VAL B 25 8.222 -0.030 8.337 1.00 6.10 H new ATOM 0 HG22 VAL B 25 7.603 0.780 6.877 1.00 6.10 H new ATOM 0 HG23 VAL B 25 7.008 1.263 8.483 1.00 6.10 H new ATOM 2087 N ASP B 26 3.534 -1.735 6.247 1.00 5.31 N ATOM 2088 CA ASP B 26 2.457 -2.720 6.274 1.00 5.56 C ATOM 2089 C ASP B 26 2.883 -3.925 7.107 1.00 6.58 C ATOM 2090 O ASP B 26 4.050 -4.330 7.069 1.00 7.15 O ATOM 2091 CB ASP B 26 2.107 -3.161 4.846 1.00 4.87 C ATOM 2092 CG ASP B 26 0.966 -4.167 4.780 1.00 4.97 C ATOM 2093 OD1 ASP B 26 1.179 -5.346 5.130 1.00 5.22 O ATOM 2094 OD2 ASP B 26 -0.144 -3.795 4.347 1.00 5.05 O ATOM 0 H ASP B 26 4.046 -1.698 5.366 1.00 5.31 H new ATOM 0 HA ASP B 26 1.573 -2.269 6.725 1.00 5.56 H new ATOM 0 HB2 ASP B 26 1.840 -2.282 4.259 1.00 4.87 H new ATOM 0 HB3 ASP B 26 2.992 -3.597 4.382 1.00 4.87 H new ATOM 2099 N HIS B 27 1.948 -4.476 7.869 1.00 6.95 N ATOM 2100 CA HIS B 27 2.232 -5.636 8.704 1.00 8.01 C ATOM 2101 C HIS B 27 2.442 -6.871 7.835 1.00 8.33 C ATOM 2102 O HIS B 27 1.500 -7.617 7.550 1.00 8.59 O ATOM 2103 CB HIS B 27 1.105 -5.874 9.716 1.00 8.34 C ATOM 2104 CG HIS B 27 1.220 -5.024 10.945 1.00 8.39 C ATOM 2105 ND1 HIS B 27 0.132 -4.598 11.677 1.00 8.80 N ATOM 2106 CD2 HIS B 27 2.310 -4.523 11.572 1.00 8.34 C ATOM 2107 CE1 HIS B 27 0.549 -3.872 12.698 1.00 8.97 C ATOM 2108 NE2 HIS B 27 1.865 -3.810 12.656 1.00 8.70 N ATOM 0 H HIS B 27 0.987 -4.139 7.926 1.00 6.95 H new ATOM 0 HA HIS B 27 3.148 -5.440 9.262 1.00 8.01 H new ATOM 0 HB2 HIS B 27 0.147 -5.677 9.235 1.00 8.34 H new ATOM 0 HB3 HIS B 27 1.105 -6.924 10.008 1.00 8.34 H new ATOM 0 HD2 HIS B 27 3.339 -4.659 11.274 1.00 8.34 H new ATOM 0 HE1 HIS B 27 -0.082 -3.408 13.442 1.00 8.97 H new ATOM 0 HE2 HIS B 27 2.456 -3.313 13.322 1.00 8.70 H new ATOM 2117 N ARG B 28 3.686 -7.054 7.411 1.00 8.41 N ATOM 2118 CA ARG B 28 4.079 -8.170 6.560 1.00 8.82 C ATOM 2119 C ARG B 28 5.602 -8.252 6.458 1.00 9.34 C ATOM 2120 O ARG B 28 6.159 -9.307 6.155 1.00 9.76 O ATOM 2121 CB ARG B 28 3.489 -8.003 5.158 1.00 8.65 C ATOM 2122 CG ARG B 28 2.371 -8.980 4.836 1.00 9.09 C ATOM 2123 CD ARG B 28 1.798 -8.731 3.449 1.00 9.23 C ATOM 2124 NE ARG B 28 1.155 -7.417 3.337 1.00 9.07 N ATOM 2125 CZ ARG B 28 0.499 -7.004 2.253 1.00 9.17 C ATOM 2126 NH1 ARG B 28 0.484 -7.759 1.161 1.00 9.42 N ATOM 2127 NH2 ARG B 28 -0.118 -5.825 2.251 1.00 9.14 N ATOM 0 H ARG B 28 4.456 -6.428 7.649 1.00 8.41 H new ATOM 0 HA ARG B 28 3.698 -9.088 7.006 1.00 8.82 H new ATOM 0 HB2 ARG B 28 3.110 -6.986 5.054 1.00 8.65 H new ATOM 0 HB3 ARG B 28 4.285 -8.123 4.423 1.00 8.65 H new ATOM 0 HG2 ARG B 28 2.749 -10.001 4.897 1.00 9.09 H new ATOM 0 HG3 ARG B 28 1.580 -8.888 5.580 1.00 9.09 H new ATOM 0 HD2 ARG B 28 2.596 -8.806 2.710 1.00 9.23 H new ATOM 0 HD3 ARG B 28 1.072 -9.509 3.214 1.00 9.23 H new ATOM 0 HE ARG B 28 1.213 -6.783 4.134 1.00 9.07 H new ATOM 0 HH11 ARG B 28 0.974 -8.654 1.153 1.00 9.42 H new ATOM 0 HH12 ARG B 28 -0.018 -7.445 0.330 1.00 9.42 H new ATOM 0 HH21 ARG B 28 -0.090 -5.233 3.081 1.00 9.14 H new ATOM 0 HH22 ARG B 28 -0.619 -5.513 1.419 1.00 9.14 H new ATOM 2141 N CYS B 29 6.268 -7.129 6.734 1.00 9.40 N ATOM 2142 CA CYS B 29 7.729 -7.038 6.659 1.00 9.95 C ATOM 2143 C CYS B 29 8.429 -8.084 7.530 1.00 10.96 C ATOM 2144 O CYS B 29 9.524 -8.546 7.195 1.00 11.56 O ATOM 2145 CB CYS B 29 8.181 -5.638 7.073 1.00 9.64 C ATOM 2146 SG CYS B 29 7.623 -5.149 8.719 1.00 9.41 S ATOM 0 H CYS B 29 5.813 -6.260 7.015 1.00 9.40 H new ATOM 0 HA CYS B 29 8.012 -7.236 5.625 1.00 9.95 H new ATOM 0 HB2 CYS B 29 9.270 -5.593 7.040 1.00 9.64 H new ATOM 0 HB3 CYS B 29 7.811 -4.917 6.345 1.00 9.64 H new ATOM 0 HG CYS B 29 8.530 -5.464 9.596 1.00 9.41 H new ATOM 2152 N VAL B 30 7.795 -8.468 8.633 1.00 11.19 N ATOM 2153 CA VAL B 30 8.372 -9.454 9.542 1.00 12.16 C ATOM 2154 C VAL B 30 8.416 -10.838 8.886 1.00 12.13 C ATOM 2155 O VAL B 30 9.197 -11.705 9.280 1.00 12.06 O ATOM 2156 CB VAL B 30 7.588 -9.529 10.871 1.00 12.71 C ATOM 2157 CG1 VAL B 30 8.415 -10.211 11.952 1.00 13.64 C ATOM 2158 CG2 VAL B 30 7.169 -8.139 11.324 1.00 12.09 C ATOM 0 H VAL B 30 6.883 -8.113 8.919 1.00 11.19 H new ATOM 0 HA VAL B 30 9.390 -9.132 9.764 1.00 12.16 H new ATOM 0 HB VAL B 30 6.691 -10.124 10.700 1.00 12.71 H new ATOM 0 HG11 VAL B 30 7.841 -10.251 12.878 1.00 13.64 H new ATOM 0 HG12 VAL B 30 8.664 -11.224 11.635 1.00 13.64 H new ATOM 0 HG13 VAL B 30 9.333 -9.647 12.118 1.00 13.64 H new ATOM 0 HG21 VAL B 30 6.618 -8.213 12.262 1.00 12.09 H new ATOM 0 HG22 VAL B 30 8.055 -7.522 11.471 1.00 12.09 H new ATOM 0 HG23 VAL B 30 6.533 -7.685 10.564 1.00 12.09 H new ATOM 2168 N ALA B 31 7.575 -11.035 7.881 1.00 12.22 N ATOM 2169 CA ALA B 31 7.535 -12.296 7.156 1.00 12.23 C ATOM 2170 C ALA B 31 8.382 -12.199 5.892 1.00 12.35 C ATOM 2171 O ALA B 31 8.785 -13.210 5.322 1.00 12.90 O ATOM 2172 CB ALA B 31 6.101 -12.667 6.810 1.00 12.06 C ATOM 0 H ALA B 31 6.910 -10.336 7.549 1.00 12.22 H new ATOM 0 HA ALA B 31 7.946 -13.079 7.793 1.00 12.23 H new ATOM 0 HB1 ALA B 31 6.090 -13.613 6.268 1.00 12.06 H new ATOM 0 HB2 ALA B 31 5.520 -12.768 7.727 1.00 12.06 H new ATOM 0 HB3 ALA B 31 5.664 -11.887 6.187 1.00 12.06 H new ATOM 2178 N THR B 32 8.648 -10.971 5.463 1.00 11.87 N ATOM 2179 CA THR B 32 9.444 -10.734 4.267 1.00 11.93 C ATOM 2180 C THR B 32 10.937 -10.731 4.586 1.00 12.13 C ATOM 2181 O THR B 32 11.697 -11.540 4.054 1.00 12.07 O ATOM 2182 CB THR B 32 9.070 -9.392 3.617 1.00 11.28 C ATOM 2183 OG1 THR B 32 7.655 -9.191 3.700 1.00 10.74 O ATOM 2184 CG2 THR B 32 9.511 -9.350 2.162 1.00 11.32 C ATOM 0 H THR B 32 8.323 -10.123 5.927 1.00 11.87 H new ATOM 0 HA THR B 32 9.229 -11.547 3.573 1.00 11.93 H new ATOM 0 HB THR B 32 9.584 -8.595 4.155 1.00 11.28 H new ATOM 0 HG1 THR B 32 7.389 -9.120 4.641 1.00 10.74 H new ATOM 0 HG21 THR B 32 9.235 -8.390 1.726 1.00 11.32 H new ATOM 0 HG22 THR B 32 10.592 -9.476 2.106 1.00 11.32 H new ATOM 0 HG23 THR B 32 9.023 -10.153 1.610 1.00 11.32 H new ATOM 2192 N VAL B 33 11.356 -9.819 5.457 1.00 12.47 N ATOM 2193 CA VAL B 33 12.763 -9.716 5.825 1.00 12.77 C ATOM 2194 C VAL B 33 12.979 -10.014 7.304 1.00 13.33 C ATOM 2195 O VAL B 33 14.107 -10.223 7.746 1.00 13.87 O ATOM 2196 CB VAL B 33 13.342 -8.324 5.498 1.00 12.98 C ATOM 2197 CG1 VAL B 33 13.621 -8.199 4.007 1.00 12.95 C ATOM 2198 CG2 VAL B 33 12.403 -7.218 5.962 1.00 13.04 C ATOM 0 H VAL B 33 10.746 -9.145 5.919 1.00 12.47 H new ATOM 0 HA VAL B 33 13.289 -10.463 5.231 1.00 12.77 H new ATOM 0 HB VAL B 33 14.283 -8.214 6.037 1.00 12.98 H new ATOM 0 HG11 VAL B 33 14.029 -7.211 3.795 1.00 12.95 H new ATOM 0 HG12 VAL B 33 14.340 -8.961 3.706 1.00 12.95 H new ATOM 0 HG13 VAL B 33 12.694 -8.336 3.451 1.00 12.95 H new ATOM 0 HG21 VAL B 33 12.836 -6.248 5.719 1.00 13.04 H new ATOM 0 HG22 VAL B 33 11.441 -7.323 5.460 1.00 13.04 H new ATOM 0 HG23 VAL B 33 12.259 -7.291 7.040 1.00 13.04 H new ATOM 2208 N GLY B 34 11.899 -10.018 8.072 1.00 13.22 N ATOM 2209 CA GLY B 34 12.005 -10.305 9.491 1.00 13.79 C ATOM 2210 C GLY B 34 12.185 -9.057 10.331 1.00 13.48 C ATOM 2211 O GLY B 34 12.234 -9.130 11.557 1.00 13.67 O ATOM 0 H GLY B 34 10.953 -9.828 7.741 1.00 13.22 H new ATOM 0 HA2 GLY B 34 11.109 -10.832 9.818 1.00 13.79 H new ATOM 0 HA3 GLY B 34 12.848 -10.975 9.659 1.00 13.79 H new ATOM 2215 N TYR B 35 12.281 -7.914 9.674 1.00 13.06 N ATOM 2216 CA TYR B 35 12.454 -6.650 10.374 1.00 12.84 C ATOM 2217 C TYR B 35 11.114 -6.121 10.864 1.00 12.88 C ATOM 2218 O TYR B 35 10.109 -6.196 10.153 1.00 12.93 O ATOM 2219 CB TYR B 35 13.120 -5.613 9.462 1.00 12.71 C ATOM 2220 CG TYR B 35 14.627 -5.568 9.591 1.00 13.12 C ATOM 2221 CD1 TYR B 35 15.228 -5.246 10.800 1.00 13.55 C ATOM 2222 CD2 TYR B 35 15.448 -5.840 8.502 1.00 13.47 C ATOM 2223 CE1 TYR B 35 16.604 -5.199 10.922 1.00 14.27 C ATOM 2224 CE2 TYR B 35 16.825 -5.794 8.620 1.00 14.23 C ATOM 2225 CZ TYR B 35 17.397 -5.473 9.831 1.00 14.46 C ATOM 2226 OH TYR B 35 18.768 -5.427 9.951 1.00 15.38 O ATOM 0 H TYR B 35 12.242 -7.834 8.658 1.00 13.06 H new ATOM 0 HA TYR B 35 13.099 -6.827 11.235 1.00 12.84 H new ATOM 0 HB2 TYR B 35 12.859 -5.832 8.427 1.00 12.71 H new ATOM 0 HB3 TYR B 35 12.715 -4.627 9.691 1.00 12.71 H new ATOM 0 HD1 TYR B 35 14.611 -5.029 11.659 1.00 13.55 H new ATOM 0 HD2 TYR B 35 15.004 -6.091 7.550 1.00 13.47 H new ATOM 0 HE1 TYR B 35 17.055 -4.948 11.870 1.00 14.27 H new ATOM 0 HE2 TYR B 35 17.450 -6.009 7.766 1.00 14.23 H new ATOM 0 HH TYR B 35 19.145 -6.306 9.736 1.00 15.38 H new ATOM 2236 N GLN B 36 11.101 -5.611 12.084 1.00 12.95 N ATOM 2237 CA GLN B 36 9.888 -5.055 12.662 1.00 13.09 C ATOM 2238 C GLN B 36 9.572 -3.714 12.007 1.00 13.29 C ATOM 2239 O GLN B 36 10.485 -2.982 11.630 1.00 13.05 O ATOM 2240 CB GLN B 36 10.053 -4.869 14.171 1.00 13.40 C ATOM 2241 CG GLN B 36 10.444 -6.140 14.906 1.00 13.22 C ATOM 2242 CD GLN B 36 9.344 -7.183 14.898 1.00 13.36 C ATOM 2243 OE1 GLN B 36 8.158 -6.852 14.847 1.00 13.78 O ATOM 2244 NE2 GLN B 36 9.728 -8.448 14.952 1.00 13.13 N ATOM 0 H GLN B 36 11.917 -5.570 12.694 1.00 12.95 H new ATOM 0 HA GLN B 36 9.065 -5.747 12.483 1.00 13.09 H new ATOM 0 HB2 GLN B 36 10.811 -4.107 14.353 1.00 13.40 H new ATOM 0 HB3 GLN B 36 9.118 -4.493 14.586 1.00 13.40 H new ATOM 0 HG2 GLN B 36 11.340 -6.559 14.447 1.00 13.22 H new ATOM 0 HG3 GLN B 36 10.699 -5.895 15.937 1.00 13.22 H new ATOM 0 HE21 GLN B 36 10.721 -8.678 14.993 1.00 13.13 H new ATOM 0 HE22 GLN B 36 9.031 -9.193 14.952 1.00 13.13 H new ATOM 2253 N PRO B 37 8.283 -3.370 11.854 1.00 13.77 N ATOM 2254 CA PRO B 37 7.876 -2.103 11.237 1.00 14.06 C ATOM 2255 C PRO B 37 8.531 -0.897 11.912 1.00 14.37 C ATOM 2256 O PRO B 37 8.965 0.046 11.246 1.00 14.17 O ATOM 2257 CB PRO B 37 6.359 -2.071 11.445 1.00 14.71 C ATOM 2258 CG PRO B 37 5.963 -3.499 11.594 1.00 14.52 C ATOM 2259 CD PRO B 37 7.123 -4.187 12.258 1.00 14.10 C ATOM 0 HA PRO B 37 8.175 -2.046 10.190 1.00 14.06 H new ATOM 0 HB2 PRO B 37 6.094 -1.493 12.330 1.00 14.71 H new ATOM 0 HB3 PRO B 37 5.854 -1.607 10.598 1.00 14.71 H new ATOM 0 HG2 PRO B 37 5.059 -3.592 12.196 1.00 14.52 H new ATOM 0 HG3 PRO B 37 5.748 -3.947 10.624 1.00 14.52 H new ATOM 0 HD2 PRO B 37 7.008 -4.213 13.342 1.00 14.10 H new ATOM 0 HD3 PRO B 37 7.223 -5.220 11.923 1.00 14.10 H new ATOM 2267 N GLN B 38 8.626 -0.955 13.236 1.00 14.87 N ATOM 2268 CA GLN B 38 9.217 0.120 14.027 1.00 15.23 C ATOM 2269 C GLN B 38 10.727 0.226 13.806 1.00 14.56 C ATOM 2270 O GLN B 38 11.350 1.220 14.183 1.00 14.37 O ATOM 2271 CB GLN B 38 8.936 -0.101 15.513 1.00 16.33 C ATOM 2272 CG GLN B 38 7.458 -0.157 15.867 1.00 17.13 C ATOM 2273 CD GLN B 38 6.904 -1.571 15.882 1.00 17.26 C ATOM 2274 OE1 GLN B 38 7.312 -2.425 15.096 1.00 17.15 O ATOM 2275 NE2 GLN B 38 5.974 -1.827 16.786 1.00 17.54 N ATOM 0 H GLN B 38 8.297 -1.746 13.790 1.00 14.87 H new ATOM 0 HA GLN B 38 8.759 1.053 13.698 1.00 15.23 H new ATOM 0 HB2 GLN B 38 9.408 -1.032 15.826 1.00 16.33 H new ATOM 0 HB3 GLN B 38 9.404 0.701 16.083 1.00 16.33 H new ATOM 0 HG2 GLN B 38 7.307 0.297 16.847 1.00 17.13 H new ATOM 0 HG3 GLN B 38 6.895 0.440 15.149 1.00 17.13 H new ATOM 0 HE21 GLN B 38 5.663 -1.091 17.420 1.00 17.54 H new ATOM 0 HE22 GLN B 38 5.568 -2.761 16.850 1.00 17.54 H new ATOM 2284 N GLU B 39 11.317 -0.801 13.207 1.00 14.24 N ATOM 2285 CA GLU B 39 12.750 -0.806 12.944 1.00 13.70 C ATOM 2286 C GLU B 39 13.056 -0.042 11.666 1.00 13.37 C ATOM 2287 O GLU B 39 14.183 0.398 11.447 1.00 13.53 O ATOM 2288 CB GLU B 39 13.271 -2.235 12.835 1.00 13.16 C ATOM 2289 CG GLU B 39 13.107 -3.035 14.111 1.00 13.35 C ATOM 2290 CD GLU B 39 13.980 -4.267 14.130 1.00 12.51 C ATOM 2291 OE1 GLU B 39 13.542 -5.326 13.635 1.00 12.57 O ATOM 2292 OE2 GLU B 39 15.117 -4.181 14.635 1.00 12.54 O ATOM 0 H GLU B 39 10.826 -1.639 12.895 1.00 14.24 H new ATOM 0 HA GLU B 39 13.252 -0.315 13.778 1.00 13.70 H new ATOM 0 HB2 GLU B 39 12.747 -2.744 12.026 1.00 13.16 H new ATOM 0 HB3 GLU B 39 14.327 -2.209 12.564 1.00 13.16 H new ATOM 0 HG2 GLU B 39 13.352 -2.405 14.966 1.00 13.35 H new ATOM 0 HG3 GLU B 39 12.063 -3.330 14.221 1.00 13.35 H new ATOM 2299 N LEU B 40 12.044 0.098 10.821 1.00 12.99 N ATOM 2300 CA LEU B 40 12.190 0.822 9.566 1.00 12.68 C ATOM 2301 C LEU B 40 11.754 2.271 9.746 1.00 12.42 C ATOM 2302 O LEU B 40 12.241 3.169 9.058 1.00 12.12 O ATOM 2303 CB LEU B 40 11.361 0.168 8.453 1.00 13.01 C ATOM 2304 CG LEU B 40 11.917 -1.140 7.872 1.00 13.16 C ATOM 2305 CD1 LEU B 40 13.441 -1.141 7.864 1.00 13.20 C ATOM 2306 CD2 LEU B 40 11.387 -2.335 8.644 1.00 14.03 C ATOM 0 H LEU B 40 11.111 -0.281 10.982 1.00 12.99 H new ATOM 0 HA LEU B 40 13.241 0.791 9.277 1.00 12.68 H new ATOM 0 HB2 LEU B 40 10.361 -0.027 8.840 1.00 13.01 H new ATOM 0 HB3 LEU B 40 11.253 0.886 7.640 1.00 13.01 H new ATOM 0 HG LEU B 40 11.579 -1.215 6.839 1.00 13.16 H new ATOM 0 HD11 LEU B 40 13.802 -2.081 7.447 1.00 13.20 H new ATOM 0 HD12 LEU B 40 13.802 -0.312 7.256 1.00 13.20 H new ATOM 0 HD13 LEU B 40 13.810 -1.031 8.884 1.00 13.20 H new ATOM 0 HD21 LEU B 40 11.792 -3.253 8.217 1.00 14.03 H new ATOM 0 HD22 LEU B 40 11.689 -2.256 9.688 1.00 14.03 H new ATOM 0 HD23 LEU B 40 10.299 -2.355 8.581 1.00 14.03 H new ATOM 2318 N LEU B 41 10.835 2.490 10.677 1.00 12.56 N ATOM 2319 CA LEU B 41 10.325 3.825 10.953 1.00 12.35 C ATOM 2320 C LEU B 41 11.442 4.736 11.454 1.00 11.89 C ATOM 2321 O LEU B 41 12.066 4.464 12.481 1.00 11.86 O ATOM 2322 CB LEU B 41 9.196 3.758 11.987 1.00 13.17 C ATOM 2323 CG LEU B 41 7.971 2.945 11.559 1.00 13.46 C ATOM 2324 CD1 LEU B 41 6.914 2.957 12.650 1.00 13.62 C ATOM 2325 CD2 LEU B 41 7.397 3.483 10.257 1.00 13.49 C ATOM 0 H LEU B 41 10.426 1.756 11.256 1.00 12.56 H new ATOM 0 HA LEU B 41 9.931 4.240 10.025 1.00 12.35 H new ATOM 0 HB2 LEU B 41 9.593 3.331 12.908 1.00 13.17 H new ATOM 0 HB3 LEU B 41 8.876 4.774 12.219 1.00 13.17 H new ATOM 0 HG LEU B 41 8.286 1.915 11.395 1.00 13.46 H new ATOM 0 HD11 LEU B 41 6.051 2.374 12.327 1.00 13.62 H new ATOM 0 HD12 LEU B 41 7.326 2.522 13.561 1.00 13.62 H new ATOM 0 HD13 LEU B 41 6.605 3.984 12.846 1.00 13.62 H new ATOM 0 HD21 LEU B 41 6.528 2.891 9.971 1.00 13.49 H new ATOM 0 HD22 LEU B 41 7.100 4.523 10.393 1.00 13.49 H new ATOM 0 HD23 LEU B 41 8.152 3.421 9.473 1.00 13.49 H new ATOM 2337 N GLY B 42 11.702 5.805 10.716 1.00 11.62 N ATOM 2338 CA GLY B 42 12.749 6.736 11.095 1.00 11.31 C ATOM 2339 C GLY B 42 14.090 6.363 10.492 1.00 11.25 C ATOM 2340 O GLY B 42 15.081 7.070 10.670 1.00 11.52 O ATOM 0 H GLY B 42 11.206 6.046 9.858 1.00 11.62 H new ATOM 0 HA2 GLY B 42 12.474 7.741 10.773 1.00 11.31 H new ATOM 0 HA3 GLY B 42 12.835 6.762 12.181 1.00 11.31 H new ATOM 2344 N LYS B 43 14.119 5.243 9.783 1.00 10.99 N ATOM 2345 CA LYS B 43 15.337 4.771 9.143 1.00 11.02 C ATOM 2346 C LYS B 43 15.233 4.924 7.634 1.00 10.14 C ATOM 2347 O LYS B 43 14.137 5.068 7.091 1.00 9.53 O ATOM 2348 CB LYS B 43 15.595 3.304 9.497 1.00 11.75 C ATOM 2349 CG LYS B 43 15.788 3.048 10.984 1.00 12.72 C ATOM 2350 CD LYS B 43 17.223 3.301 11.421 1.00 13.24 C ATOM 2351 CE LYS B 43 17.462 4.771 11.719 1.00 13.72 C ATOM 2352 NZ LYS B 43 18.582 5.325 10.917 1.00 13.82 N ATOM 0 H LYS B 43 13.308 4.642 9.637 1.00 10.99 H new ATOM 0 HA LYS B 43 16.170 5.373 9.506 1.00 11.02 H new ATOM 0 HB2 LYS B 43 14.758 2.703 9.142 1.00 11.75 H new ATOM 0 HB3 LYS B 43 16.482 2.963 8.963 1.00 11.75 H new ATOM 0 HG2 LYS B 43 15.116 3.691 11.553 1.00 12.72 H new ATOM 0 HG3 LYS B 43 15.515 2.018 11.214 1.00 12.72 H new ATOM 0 HD2 LYS B 43 17.444 2.708 12.308 1.00 13.24 H new ATOM 0 HD3 LYS B 43 17.906 2.971 10.639 1.00 13.24 H new ATOM 0 HE2 LYS B 43 16.553 5.336 11.511 1.00 13.72 H new ATOM 0 HE3 LYS B 43 17.679 4.895 12.780 1.00 13.72 H new ATOM 0 HZ1 LYS B 43 18.605 6.360 11.021 1.00 13.82 H new ATOM 0 HZ2 LYS B 43 19.481 4.924 11.252 1.00 13.82 H new ATOM 0 HZ3 LYS B 43 18.446 5.080 9.915 1.00 13.82 H new ATOM 2366 N ASN B 44 16.374 4.894 6.963 1.00 10.16 N ATOM 2367 CA ASN B 44 16.403 5.022 5.515 1.00 9.44 C ATOM 2368 C ASN B 44 16.466 3.640 4.885 1.00 9.58 C ATOM 2369 O ASN B 44 17.234 2.788 5.327 1.00 10.05 O ATOM 2370 CB ASN B 44 17.612 5.844 5.050 1.00 8.98 C ATOM 2371 CG ASN B 44 17.622 7.259 5.598 1.00 8.84 C ATOM 2372 OD1 ASN B 44 18.135 7.509 6.689 1.00 9.30 O ATOM 2373 ND2 ASN B 44 17.083 8.201 4.836 1.00 8.30 N ATOM 0 H ASN B 44 17.290 4.782 7.397 1.00 10.16 H new ATOM 0 HA ASN B 44 15.496 5.539 5.203 1.00 9.44 H new ATOM 0 HB2 ASN B 44 18.527 5.337 5.356 1.00 8.98 H new ATOM 0 HB3 ASN B 44 17.619 5.884 3.961 1.00 8.98 H new ATOM 0 HD21 ASN B 44 17.084 9.172 5.148 1.00 8.30 H new ATOM 0 HD22 ASN B 44 16.667 7.954 3.938 1.00 8.30 H new ATOM 2380 N ILE B 45 15.662 3.421 3.854 1.00 9.27 N ATOM 2381 CA ILE B 45 15.636 2.140 3.152 1.00 9.41 C ATOM 2382 C ILE B 45 17.010 1.825 2.544 1.00 9.62 C ATOM 2383 O ILE B 45 17.354 0.668 2.312 1.00 9.60 O ATOM 2384 CB ILE B 45 14.549 2.140 2.048 1.00 9.37 C ATOM 2385 CG1 ILE B 45 14.435 0.759 1.389 1.00 9.51 C ATOM 2386 CG2 ILE B 45 14.841 3.212 1.005 1.00 9.43 C ATOM 2387 CD1 ILE B 45 13.251 0.627 0.453 1.00 9.46 C ATOM 0 H ILE B 45 15.015 4.116 3.482 1.00 9.27 H new ATOM 0 HA ILE B 45 15.392 1.364 3.878 1.00 9.41 H new ATOM 0 HB ILE B 45 13.592 2.370 2.517 1.00 9.37 H new ATOM 0 HG12 ILE B 45 15.350 0.554 0.834 1.00 9.51 H new ATOM 0 HG13 ILE B 45 14.358 -0.000 2.167 1.00 9.51 H new ATOM 0 HG21 ILE B 45 14.066 3.195 0.239 1.00 9.43 H new ATOM 0 HG22 ILE B 45 14.856 4.191 1.484 1.00 9.43 H new ATOM 0 HG23 ILE B 45 15.810 3.018 0.545 1.00 9.43 H new ATOM 0 HD11 ILE B 45 13.236 -0.375 0.025 1.00 9.46 H new ATOM 0 HD12 ILE B 45 12.328 0.799 1.007 1.00 9.46 H new ATOM 0 HD13 ILE B 45 13.336 1.362 -0.347 1.00 9.46 H new ATOM 2399 N VAL B 46 17.805 2.868 2.326 1.00 9.93 N ATOM 2400 CA VAL B 46 19.135 2.720 1.750 1.00 10.30 C ATOM 2401 C VAL B 46 20.123 2.146 2.775 1.00 10.43 C ATOM 2402 O VAL B 46 21.172 1.614 2.412 1.00 10.29 O ATOM 2403 CB VAL B 46 19.653 4.078 1.210 1.00 10.71 C ATOM 2404 CG1 VAL B 46 20.007 5.026 2.348 1.00 11.50 C ATOM 2405 CG2 VAL B 46 20.843 3.882 0.281 1.00 11.12 C ATOM 0 H VAL B 46 17.548 3.831 2.542 1.00 9.93 H new ATOM 0 HA VAL B 46 19.060 2.019 0.919 1.00 10.30 H new ATOM 0 HB VAL B 46 18.846 4.531 0.634 1.00 10.71 H new ATOM 0 HG11 VAL B 46 20.367 5.969 1.937 1.00 11.50 H new ATOM 0 HG12 VAL B 46 19.122 5.210 2.957 1.00 11.50 H new ATOM 0 HG13 VAL B 46 20.786 4.578 2.965 1.00 11.50 H new ATOM 0 HG21 VAL B 46 21.185 4.851 -0.082 1.00 11.12 H new ATOM 0 HG22 VAL B 46 21.652 3.392 0.824 1.00 11.12 H new ATOM 0 HG23 VAL B 46 20.546 3.262 -0.565 1.00 11.12 H new ATOM 2415 N GLU B 47 19.765 2.228 4.056 1.00 10.71 N ATOM 2416 CA GLU B 47 20.626 1.726 5.124 1.00 10.91 C ATOM 2417 C GLU B 47 20.612 0.205 5.162 1.00 11.16 C ATOM 2418 O GLU B 47 21.639 -0.432 5.395 1.00 11.89 O ATOM 2419 CB GLU B 47 20.184 2.274 6.484 1.00 10.79 C ATOM 2420 CG GLU B 47 20.158 3.789 6.556 1.00 10.56 C ATOM 2421 CD GLU B 47 19.924 4.299 7.963 1.00 10.89 C ATOM 2422 OE1 GLU B 47 18.752 4.473 8.358 1.00 10.95 O ATOM 2423 OE2 GLU B 47 20.918 4.532 8.681 1.00 11.17 O ATOM 0 H GLU B 47 18.887 2.636 4.378 1.00 10.71 H new ATOM 0 HA GLU B 47 21.640 2.067 4.916 1.00 10.91 H new ATOM 0 HB2 GLU B 47 19.189 1.892 6.713 1.00 10.79 H new ATOM 0 HB3 GLU B 47 20.856 1.895 7.254 1.00 10.79 H new ATOM 0 HG2 GLU B 47 21.103 4.184 6.182 1.00 10.56 H new ATOM 0 HG3 GLU B 47 19.373 4.167 5.901 1.00 10.56 H new ATOM 2430 N PHE B 48 19.443 -0.372 4.921 1.00 10.58 N ATOM 2431 CA PHE B 48 19.287 -1.820 4.937 1.00 10.76 C ATOM 2432 C PHE B 48 19.386 -2.385 3.525 1.00 9.96 C ATOM 2433 O PHE B 48 18.959 -3.508 3.259 1.00 9.35 O ATOM 2434 CB PHE B 48 17.941 -2.206 5.559 1.00 11.00 C ATOM 2435 CG PHE B 48 17.648 -1.514 6.863 1.00 11.61 C ATOM 2436 CD1 PHE B 48 17.014 -0.283 6.881 1.00 11.83 C ATOM 2437 CD2 PHE B 48 18.010 -2.094 8.066 1.00 12.05 C ATOM 2438 CE1 PHE B 48 16.744 0.355 8.075 1.00 12.47 C ATOM 2439 CE2 PHE B 48 17.743 -1.461 9.265 1.00 12.71 C ATOM 2440 CZ PHE B 48 17.110 -0.233 9.268 1.00 13.60 C ATOM 0 H PHE B 48 18.587 0.142 4.712 1.00 10.58 H new ATOM 0 HA PHE B 48 20.090 -2.242 5.541 1.00 10.76 H new ATOM 0 HB2 PHE B 48 17.146 -1.975 4.850 1.00 11.00 H new ATOM 0 HB3 PHE B 48 17.922 -3.284 5.719 1.00 11.00 H new ATOM 0 HD1 PHE B 48 16.727 0.183 5.950 1.00 11.83 H new ATOM 0 HD2 PHE B 48 18.507 -3.053 8.068 1.00 12.05 H new ATOM 0 HE1 PHE B 48 16.247 1.314 8.075 1.00 12.47 H new ATOM 0 HE2 PHE B 48 18.028 -1.925 10.197 1.00 12.71 H new ATOM 0 HZ PHE B 48 16.902 0.266 10.203 1.00 13.60 H new ATOM 2450 N CYS B 49 19.947 -1.601 2.625 1.00 10.07 N ATOM 2451 CA CYS B 49 20.103 -2.023 1.248 1.00 9.47 C ATOM 2452 C CYS B 49 21.540 -2.434 0.973 1.00 9.93 C ATOM 2453 O CYS B 49 22.472 -1.926 1.601 1.00 10.81 O ATOM 2454 CB CYS B 49 19.692 -0.895 0.298 1.00 9.48 C ATOM 2455 SG CYS B 49 19.848 -1.308 -1.459 1.00 9.00 S ATOM 0 H CYS B 49 20.303 -0.666 2.824 1.00 10.07 H new ATOM 0 HA CYS B 49 19.456 -2.884 1.079 1.00 9.47 H new ATOM 0 HB2 CYS B 49 18.658 -0.620 0.504 1.00 9.48 H new ATOM 0 HB3 CYS B 49 20.303 -0.017 0.509 1.00 9.48 H new ATOM 0 HG CYS B 49 18.878 -2.101 -1.806 1.00 9.00 H new ATOM 2461 N HIS B 50 21.702 -3.373 0.053 1.00 9.34 N ATOM 2462 CA HIS B 50 23.014 -3.856 -0.352 1.00 9.67 C ATOM 2463 C HIS B 50 23.852 -2.677 -0.848 1.00 9.57 C ATOM 2464 O HIS B 50 23.394 -1.915 -1.691 1.00 9.10 O ATOM 2465 CB HIS B 50 22.833 -4.904 -1.460 1.00 9.86 C ATOM 2466 CG HIS B 50 24.065 -5.669 -1.826 1.00 10.44 C ATOM 2467 ND1 HIS B 50 24.426 -5.912 -3.132 1.00 10.42 N ATOM 2468 CD2 HIS B 50 25.000 -6.278 -1.061 1.00 11.13 C ATOM 2469 CE1 HIS B 50 25.527 -6.635 -3.156 1.00 11.06 C ATOM 2470 NE2 HIS B 50 25.897 -6.870 -1.912 1.00 11.49 N ATOM 0 H HIS B 50 20.927 -3.822 -0.434 1.00 9.34 H new ATOM 0 HA HIS B 50 23.531 -4.317 0.490 1.00 9.67 H new ATOM 0 HB2 HIS B 50 22.066 -5.612 -1.146 1.00 9.86 H new ATOM 0 HB3 HIS B 50 22.458 -4.403 -2.353 1.00 9.86 H new ATOM 0 HD1 HIS B 50 23.919 -5.583 -3.954 1.00 10.42 H new ATOM 0 HD2 HIS B 50 25.033 -6.295 0.018 1.00 11.13 H new ATOM 0 HE1 HIS B 50 26.039 -6.977 -4.043 1.00 11.06 H new ATOM 2479 N PRO B 51 25.073 -2.498 -0.313 1.00 10.07 N ATOM 2480 CA PRO B 51 25.966 -1.393 -0.700 1.00 10.05 C ATOM 2481 C PRO B 51 26.048 -1.178 -2.213 1.00 9.24 C ATOM 2482 O PRO B 51 25.856 -0.066 -2.702 1.00 9.13 O ATOM 2483 CB PRO B 51 27.318 -1.836 -0.147 1.00 10.76 C ATOM 2484 CG PRO B 51 26.976 -2.646 1.053 1.00 11.35 C ATOM 2485 CD PRO B 51 25.681 -3.346 0.732 1.00 10.77 C ATOM 0 HA PRO B 51 25.612 -0.437 -0.314 1.00 10.05 H new ATOM 0 HB2 PRO B 51 27.874 -2.423 -0.878 1.00 10.76 H new ATOM 0 HB3 PRO B 51 27.941 -0.980 0.115 1.00 10.76 H new ATOM 0 HG2 PRO B 51 27.764 -3.366 1.274 1.00 11.35 H new ATOM 0 HG3 PRO B 51 26.868 -2.012 1.933 1.00 11.35 H new ATOM 0 HD2 PRO B 51 25.853 -4.361 0.374 1.00 10.77 H new ATOM 0 HD3 PRO B 51 25.039 -3.422 1.610 1.00 10.77 H new ATOM 2493 N GLU B 52 26.308 -2.249 -2.950 1.00 8.71 N ATOM 2494 CA GLU B 52 26.422 -2.185 -4.405 1.00 7.99 C ATOM 2495 C GLU B 52 25.062 -2.047 -5.092 1.00 7.30 C ATOM 2496 O GLU B 52 24.974 -2.059 -6.319 1.00 7.14 O ATOM 2497 CB GLU B 52 27.141 -3.430 -4.925 1.00 7.73 C ATOM 2498 CG GLU B 52 28.531 -3.611 -4.341 1.00 8.39 C ATOM 2499 CD GLU B 52 28.547 -4.527 -3.133 1.00 8.75 C ATOM 2500 OE1 GLU B 52 27.607 -4.465 -2.312 1.00 8.56 O ATOM 2501 OE2 GLU B 52 29.506 -5.316 -2.998 1.00 9.28 O ATOM 0 H GLU B 52 26.445 -3.182 -2.562 1.00 8.71 H new ATOM 0 HA GLU B 52 26.999 -1.292 -4.645 1.00 7.99 H new ATOM 0 HB2 GLU B 52 26.541 -4.310 -4.695 1.00 7.73 H new ATOM 0 HB3 GLU B 52 27.216 -3.370 -6.011 1.00 7.73 H new ATOM 0 HG2 GLU B 52 29.192 -4.016 -5.107 1.00 8.39 H new ATOM 0 HG3 GLU B 52 28.931 -2.637 -4.058 1.00 8.39 H new ATOM 2508 N ASP B 53 24.006 -1.920 -4.305 1.00 6.93 N ATOM 2509 CA ASP B 53 22.660 -1.768 -4.849 1.00 6.34 C ATOM 2510 C ASP B 53 22.026 -0.477 -4.342 1.00 5.91 C ATOM 2511 O ASP B 53 20.889 -0.148 -4.686 1.00 5.54 O ATOM 2512 CB ASP B 53 21.781 -2.963 -4.471 1.00 6.55 C ATOM 2513 CG ASP B 53 22.016 -4.163 -5.365 1.00 6.92 C ATOM 2514 OD1 ASP B 53 21.511 -4.170 -6.503 1.00 6.70 O ATOM 2515 OD2 ASP B 53 22.698 -5.114 -4.928 1.00 7.52 O ATOM 0 H ASP B 53 24.052 -1.919 -3.286 1.00 6.93 H new ATOM 0 HA ASP B 53 22.737 -1.724 -5.935 1.00 6.34 H new ATOM 0 HB2 ASP B 53 21.978 -3.241 -3.436 1.00 6.55 H new ATOM 0 HB3 ASP B 53 20.732 -2.671 -4.529 1.00 6.55 H new ATOM 2520 N GLN B 54 22.776 0.253 -3.523 1.00 6.02 N ATOM 2521 CA GLN B 54 22.301 1.512 -2.957 1.00 5.71 C ATOM 2522 C GLN B 54 22.127 2.562 -4.045 1.00 5.50 C ATOM 2523 O GLN B 54 21.174 3.345 -4.019 1.00 5.31 O ATOM 2524 CB GLN B 54 23.274 2.019 -1.891 1.00 5.84 C ATOM 2525 CG GLN B 54 23.245 1.212 -0.605 1.00 6.08 C ATOM 2526 CD GLN B 54 24.377 1.573 0.337 1.00 6.24 C ATOM 2527 OE1 GLN B 54 25.468 1.943 -0.097 1.00 6.57 O ATOM 2528 NE2 GLN B 54 24.124 1.475 1.633 1.00 6.11 N ATOM 0 H GLN B 54 23.719 -0.007 -3.235 1.00 6.02 H new ATOM 0 HA GLN B 54 21.332 1.330 -2.493 1.00 5.71 H new ATOM 0 HB2 GLN B 54 24.285 2.002 -2.297 1.00 5.84 H new ATOM 0 HB3 GLN B 54 23.039 3.059 -1.663 1.00 5.84 H new ATOM 0 HG2 GLN B 54 22.292 1.374 -0.101 1.00 6.08 H new ATOM 0 HG3 GLN B 54 23.302 0.150 -0.845 1.00 6.08 H new ATOM 0 HE21 GLN B 54 23.206 1.164 1.951 1.00 6.11 H new ATOM 0 HE22 GLN B 54 24.847 1.710 2.313 1.00 6.11 H new ATOM 2537 N GLN B 55 23.043 2.568 -5.004 1.00 5.71 N ATOM 2538 CA GLN B 55 22.985 3.516 -6.103 1.00 5.60 C ATOM 2539 C GLN B 55 21.753 3.239 -6.955 1.00 4.67 C ATOM 2540 O GLN B 55 21.015 4.155 -7.316 1.00 4.24 O ATOM 2541 CB GLN B 55 24.252 3.419 -6.954 1.00 6.32 C ATOM 2542 CG GLN B 55 24.455 4.599 -7.886 1.00 6.58 C ATOM 2543 CD GLN B 55 24.733 5.888 -7.139 1.00 6.45 C ATOM 2544 OE1 GLN B 55 25.313 5.881 -6.055 1.00 6.54 O ATOM 2545 NE2 GLN B 55 24.308 7.003 -7.706 1.00 6.35 N ATOM 0 H GLN B 55 23.835 1.926 -5.041 1.00 5.71 H new ATOM 0 HA GLN B 55 22.918 4.526 -5.699 1.00 5.60 H new ATOM 0 HB2 GLN B 55 25.116 3.336 -6.295 1.00 6.32 H new ATOM 0 HB3 GLN B 55 24.213 2.504 -7.545 1.00 6.32 H new ATOM 0 HG2 GLN B 55 25.285 4.387 -8.560 1.00 6.58 H new ATOM 0 HG3 GLN B 55 23.567 4.726 -8.505 1.00 6.58 H new ATOM 0 HE21 GLN B 55 23.831 6.967 -8.607 1.00 6.35 H new ATOM 0 HE22 GLN B 55 24.457 7.900 -7.243 1.00 6.35 H new ATOM 2554 N LEU B 56 21.536 1.959 -7.249 1.00 4.60 N ATOM 2555 CA LEU B 56 20.393 1.524 -8.040 1.00 4.04 C ATOM 2556 C LEU B 56 19.088 1.944 -7.372 1.00 4.15 C ATOM 2557 O LEU B 56 18.161 2.414 -8.034 1.00 4.24 O ATOM 2558 CB LEU B 56 20.429 0.001 -8.214 1.00 3.86 C ATOM 2559 CG LEU B 56 19.186 -0.622 -8.856 1.00 3.93 C ATOM 2560 CD1 LEU B 56 19.071 -0.218 -10.319 1.00 3.88 C ATOM 2561 CD2 LEU B 56 19.223 -2.137 -8.726 1.00 4.08 C ATOM 0 H LEU B 56 22.146 1.199 -6.946 1.00 4.60 H new ATOM 0 HA LEU B 56 20.447 1.998 -9.020 1.00 4.04 H new ATOM 0 HB2 LEU B 56 21.297 -0.257 -8.821 1.00 3.86 H new ATOM 0 HB3 LEU B 56 20.577 -0.455 -7.235 1.00 3.86 H new ATOM 0 HG LEU B 56 18.308 -0.248 -8.329 1.00 3.93 H new ATOM 0 HD11 LEU B 56 18.181 -0.673 -10.753 1.00 3.88 H new ATOM 0 HD12 LEU B 56 18.997 0.867 -10.392 1.00 3.88 H new ATOM 0 HD13 LEU B 56 19.953 -0.559 -10.861 1.00 3.88 H new ATOM 0 HD21 LEU B 56 18.332 -2.564 -9.187 1.00 4.08 H new ATOM 0 HD22 LEU B 56 20.111 -2.523 -9.226 1.00 4.08 H new ATOM 0 HD23 LEU B 56 19.252 -2.411 -7.671 1.00 4.08 H new ATOM 2573 N LEU B 57 19.028 1.780 -6.055 1.00 4.29 N ATOM 2574 CA LEU B 57 17.845 2.147 -5.289 1.00 4.67 C ATOM 2575 C LEU B 57 17.585 3.645 -5.381 1.00 4.68 C ATOM 2576 O LEU B 57 16.498 4.069 -5.772 1.00 4.66 O ATOM 2577 CB LEU B 57 17.998 1.739 -3.820 1.00 5.46 C ATOM 2578 CG LEU B 57 17.052 0.636 -3.343 1.00 5.72 C ATOM 2579 CD1 LEU B 57 16.944 0.657 -1.827 1.00 6.40 C ATOM 2580 CD2 LEU B 57 15.678 0.794 -3.977 1.00 5.94 C ATOM 0 H LEU B 57 19.788 1.394 -5.495 1.00 4.29 H new ATOM 0 HA LEU B 57 16.995 1.614 -5.716 1.00 4.67 H new ATOM 0 HB2 LEU B 57 19.024 1.410 -3.657 1.00 5.46 H new ATOM 0 HB3 LEU B 57 17.844 2.621 -3.198 1.00 5.46 H new ATOM 0 HG LEU B 57 17.460 -0.327 -3.651 1.00 5.72 H new ATOM 0 HD11 LEU B 57 16.268 -0.133 -1.499 1.00 6.40 H new ATOM 0 HD12 LEU B 57 17.929 0.496 -1.390 1.00 6.40 H new ATOM 0 HD13 LEU B 57 16.557 1.623 -1.503 1.00 6.40 H new ATOM 0 HD21 LEU B 57 15.021 -0.001 -3.624 1.00 5.94 H new ATOM 0 HD22 LEU B 57 15.259 1.761 -3.700 1.00 5.94 H new ATOM 0 HD23 LEU B 57 15.769 0.735 -5.062 1.00 5.94 H new ATOM 2592 N ARG B 58 18.594 4.438 -5.036 1.00 4.80 N ATOM 2593 CA ARG B 58 18.472 5.892 -5.069 1.00 4.96 C ATOM 2594 C ARG B 58 18.109 6.380 -6.468 1.00 4.70 C ATOM 2595 O ARG B 58 17.239 7.238 -6.632 1.00 4.35 O ATOM 2596 CB ARG B 58 19.775 6.547 -4.608 1.00 5.25 C ATOM 2597 CG ARG B 58 19.696 8.062 -4.528 1.00 5.73 C ATOM 2598 CD ARG B 58 21.045 8.679 -4.194 1.00 6.55 C ATOM 2599 NE ARG B 58 21.067 10.114 -4.464 1.00 7.05 N ATOM 2600 CZ ARG B 58 22.135 10.777 -4.907 1.00 7.71 C ATOM 2601 NH1 ARG B 58 23.292 10.149 -5.076 1.00 8.02 N ATOM 2602 NH2 ARG B 58 22.046 12.077 -5.157 1.00 8.18 N ATOM 0 H ARG B 58 19.506 4.099 -4.730 1.00 4.80 H new ATOM 0 HA ARG B 58 17.670 6.177 -4.388 1.00 4.96 H new ATOM 0 HB2 ARG B 58 20.044 6.153 -3.628 1.00 5.25 H new ATOM 0 HB3 ARG B 58 20.575 6.268 -5.294 1.00 5.25 H new ATOM 0 HG2 ARG B 58 19.340 8.458 -5.479 1.00 5.73 H new ATOM 0 HG3 ARG B 58 18.967 8.349 -3.770 1.00 5.73 H new ATOM 0 HD2 ARG B 58 21.275 8.503 -3.143 1.00 6.55 H new ATOM 0 HD3 ARG B 58 21.824 8.187 -4.777 1.00 6.55 H new ATOM 0 HE ARG B 58 20.210 10.643 -4.303 1.00 7.05 H new ATOM 0 HH11 ARG B 58 23.367 9.154 -4.867 1.00 8.02 H new ATOM 0 HH12 ARG B 58 24.106 10.662 -5.415 1.00 8.02 H new ATOM 0 HH21 ARG B 58 21.163 12.565 -5.010 1.00 8.18 H new ATOM 0 HH22 ARG B 58 22.861 12.588 -5.496 1.00 8.18 H new ATOM 2616 N ASP B 59 18.768 5.814 -7.472 1.00 5.14 N ATOM 2617 CA ASP B 59 18.520 6.179 -8.864 1.00 5.25 C ATOM 2618 C ASP B 59 17.071 5.904 -9.241 1.00 5.09 C ATOM 2619 O ASP B 59 16.403 6.748 -9.839 1.00 5.01 O ATOM 2620 CB ASP B 59 19.461 5.405 -9.793 1.00 6.03 C ATOM 2621 CG ASP B 59 19.071 5.520 -11.252 1.00 6.00 C ATOM 2622 OD1 ASP B 59 19.163 6.629 -11.813 1.00 6.07 O ATOM 2623 OD2 ASP B 59 18.681 4.492 -11.847 1.00 6.01 O ATOM 0 H ASP B 59 19.482 5.096 -7.348 1.00 5.14 H new ATOM 0 HA ASP B 59 18.711 7.246 -8.977 1.00 5.25 H new ATOM 0 HB2 ASP B 59 20.478 5.775 -9.663 1.00 6.03 H new ATOM 0 HB3 ASP B 59 19.465 4.354 -9.505 1.00 6.03 H new ATOM 2628 N SER B 60 16.584 4.728 -8.866 1.00 5.19 N ATOM 2629 CA SER B 60 15.213 4.339 -9.158 1.00 5.23 C ATOM 2630 C SER B 60 14.226 5.258 -8.441 1.00 5.38 C ATOM 2631 O SER B 60 13.193 5.625 -9.001 1.00 5.59 O ATOM 2632 CB SER B 60 14.978 2.885 -8.752 1.00 5.37 C ATOM 2633 OG SER B 60 15.891 2.021 -9.410 1.00 5.26 O ATOM 0 H SER B 60 17.121 4.026 -8.357 1.00 5.19 H new ATOM 0 HA SER B 60 15.050 4.434 -10.232 1.00 5.23 H new ATOM 0 HB2 SER B 60 15.088 2.783 -7.672 1.00 5.37 H new ATOM 0 HB3 SER B 60 13.956 2.595 -8.997 1.00 5.37 H new ATOM 0 HG SER B 60 16.732 1.989 -8.907 1.00 5.26 H new ATOM 2639 N PHE B 61 14.551 5.633 -7.205 1.00 5.36 N ATOM 2640 CA PHE B 61 13.694 6.519 -6.427 1.00 5.54 C ATOM 2641 C PHE B 61 13.581 7.874 -7.107 1.00 5.60 C ATOM 2642 O PHE B 61 12.493 8.431 -7.223 1.00 5.81 O ATOM 2643 CB PHE B 61 14.229 6.695 -5.003 1.00 5.66 C ATOM 2644 CG PHE B 61 13.981 5.509 -4.116 1.00 6.31 C ATOM 2645 CD1 PHE B 61 12.792 4.803 -4.198 1.00 6.46 C ATOM 2646 CD2 PHE B 61 14.937 5.101 -3.199 1.00 6.89 C ATOM 2647 CE1 PHE B 61 12.561 3.711 -3.384 1.00 7.15 C ATOM 2648 CE2 PHE B 61 14.711 4.011 -2.384 1.00 7.61 C ATOM 2649 CZ PHE B 61 13.522 3.314 -2.476 1.00 7.73 C ATOM 0 H PHE B 61 15.400 5.337 -6.724 1.00 5.36 H new ATOM 0 HA PHE B 61 12.706 6.063 -6.368 1.00 5.54 H new ATOM 0 HB2 PHE B 61 15.301 6.887 -5.048 1.00 5.66 H new ATOM 0 HB3 PHE B 61 13.766 7.575 -4.556 1.00 5.66 H new ATOM 0 HD1 PHE B 61 12.037 5.110 -4.907 1.00 6.46 H new ATOM 0 HD2 PHE B 61 15.869 5.642 -3.122 1.00 6.89 H new ATOM 0 HE1 PHE B 61 11.630 3.169 -3.458 1.00 7.15 H new ATOM 0 HE2 PHE B 61 15.464 3.703 -1.674 1.00 7.61 H new ATOM 0 HZ PHE B 61 13.345 2.460 -1.839 1.00 7.73 H new ATOM 2659 N GLN B 62 14.706 8.392 -7.573 1.00 5.57 N ATOM 2660 CA GLN B 62 14.720 9.678 -8.250 1.00 5.90 C ATOM 2661 C GLN B 62 13.972 9.588 -9.577 1.00 6.02 C ATOM 2662 O GLN B 62 13.302 10.536 -9.992 1.00 5.80 O ATOM 2663 CB GLN B 62 16.156 10.150 -8.482 1.00 6.31 C ATOM 2664 CG GLN B 62 16.927 10.424 -7.197 1.00 6.71 C ATOM 2665 CD GLN B 62 16.252 11.445 -6.294 1.00 6.63 C ATOM 2666 OE1 GLN B 62 15.570 12.415 -6.880 1.00 6.49 O flip ATOM 2667 NE2 GLN B 62 16.353 11.364 -5.068 1.00 6.89 N flip ATOM 0 H GLN B 62 15.619 7.943 -7.495 1.00 5.57 H new ATOM 0 HA GLN B 62 14.217 10.406 -7.613 1.00 5.90 H new ATOM 0 HB2 GLN B 62 16.688 9.395 -9.060 1.00 6.31 H new ATOM 0 HB3 GLN B 62 16.137 11.058 -9.085 1.00 6.31 H new ATOM 0 HG2 GLN B 62 17.049 9.490 -6.649 1.00 6.71 H new ATOM 0 HG3 GLN B 62 17.926 10.778 -7.450 1.00 6.71 H new ATOM 0 HE21 GLN B 62 16.887 10.602 -4.649 1.00 6.89 H new ATOM 0 HE22 GLN B 62 15.903 12.059 -4.472 1.00 6.89 H new ATOM 2676 N GLN B 63 14.079 8.438 -10.231 1.00 6.58 N ATOM 2677 CA GLN B 63 13.417 8.216 -11.510 1.00 6.98 C ATOM 2678 C GLN B 63 11.901 8.119 -11.349 1.00 7.01 C ATOM 2679 O GLN B 63 11.154 8.658 -12.165 1.00 7.34 O ATOM 2680 CB GLN B 63 13.954 6.952 -12.179 1.00 7.70 C ATOM 2681 CG GLN B 63 15.207 7.191 -13.002 1.00 7.92 C ATOM 2682 CD GLN B 63 15.520 6.030 -13.923 1.00 8.79 C ATOM 2683 OE1 GLN B 63 15.011 5.960 -15.040 1.00 9.40 O ATOM 2684 NE2 GLN B 63 16.370 5.123 -13.473 1.00 8.92 N ATOM 0 H GLN B 63 14.620 7.642 -9.895 1.00 6.58 H new ATOM 0 HA GLN B 63 13.634 9.075 -12.144 1.00 6.98 H new ATOM 0 HB2 GLN B 63 14.168 6.207 -11.412 1.00 7.70 H new ATOM 0 HB3 GLN B 63 13.180 6.534 -12.822 1.00 7.70 H new ATOM 0 HG2 GLN B 63 15.083 8.098 -13.594 1.00 7.92 H new ATOM 0 HG3 GLN B 63 16.051 7.360 -12.334 1.00 7.92 H new ATOM 0 HE21 GLN B 63 16.770 5.218 -12.540 1.00 8.92 H new ATOM 0 HE22 GLN B 63 16.626 4.328 -14.059 1.00 8.92 H new ATOM 2693 N VAL B 64 11.444 7.440 -10.298 1.00 6.75 N ATOM 2694 CA VAL B 64 10.011 7.293 -10.062 1.00 6.88 C ATOM 2695 C VAL B 64 9.389 8.626 -9.646 1.00 6.48 C ATOM 2696 O VAL B 64 8.198 8.866 -9.865 1.00 6.34 O ATOM 2697 CB VAL B 64 9.697 6.199 -9.012 1.00 7.00 C ATOM 2698 CG1 VAL B 64 10.073 6.642 -7.607 1.00 6.47 C ATOM 2699 CG2 VAL B 64 8.230 5.806 -9.077 1.00 7.57 C ATOM 0 H VAL B 64 12.039 6.988 -9.604 1.00 6.75 H new ATOM 0 HA VAL B 64 9.566 6.975 -11.005 1.00 6.88 H new ATOM 0 HB VAL B 64 10.305 5.327 -9.252 1.00 7.00 H new ATOM 0 HG11 VAL B 64 9.837 5.847 -6.900 1.00 6.47 H new ATOM 0 HG12 VAL B 64 11.141 6.858 -7.567 1.00 6.47 H new ATOM 0 HG13 VAL B 64 9.511 7.539 -7.346 1.00 6.47 H new ATOM 0 HG21 VAL B 64 8.026 5.036 -8.333 1.00 7.57 H new ATOM 0 HG22 VAL B 64 7.610 6.679 -8.875 1.00 7.57 H new ATOM 0 HG23 VAL B 64 8.000 5.420 -10.070 1.00 7.57 H new ATOM 2709 N VAL B 65 10.204 9.496 -9.060 1.00 6.45 N ATOM 2710 CA VAL B 65 9.742 10.814 -8.643 1.00 6.37 C ATOM 2711 C VAL B 65 9.429 11.657 -9.879 1.00 6.93 C ATOM 2712 O VAL B 65 8.504 12.468 -9.884 1.00 7.43 O ATOM 2713 CB VAL B 65 10.798 11.528 -7.758 1.00 6.49 C ATOM 2714 CG1 VAL B 65 10.523 13.023 -7.642 1.00 6.77 C ATOM 2715 CG2 VAL B 65 10.844 10.893 -6.375 1.00 6.40 C ATOM 0 H VAL B 65 11.188 9.312 -8.863 1.00 6.45 H new ATOM 0 HA VAL B 65 8.839 10.692 -8.045 1.00 6.37 H new ATOM 0 HB VAL B 65 11.767 11.407 -8.241 1.00 6.49 H new ATOM 0 HG11 VAL B 65 11.285 13.485 -7.014 1.00 6.77 H new ATOM 0 HG12 VAL B 65 10.546 13.475 -8.633 1.00 6.77 H new ATOM 0 HG13 VAL B 65 9.541 13.179 -7.195 1.00 6.77 H new ATOM 0 HG21 VAL B 65 11.589 11.404 -5.765 1.00 6.40 H new ATOM 0 HG22 VAL B 65 9.866 10.980 -5.902 1.00 6.40 H new ATOM 0 HG23 VAL B 65 11.110 9.840 -6.467 1.00 6.40 H new ATOM 2725 N LYS B 66 10.189 11.419 -10.939 1.00 6.93 N ATOM 2726 CA LYS B 66 10.013 12.137 -12.193 1.00 7.52 C ATOM 2727 C LYS B 66 8.827 11.578 -12.978 1.00 7.28 C ATOM 2728 O LYS B 66 8.385 12.170 -13.962 1.00 7.59 O ATOM 2729 CB LYS B 66 11.288 12.047 -13.033 1.00 8.01 C ATOM 2730 CG LYS B 66 12.508 12.635 -12.342 1.00 8.37 C ATOM 2731 CD LYS B 66 13.794 12.238 -13.045 1.00 8.79 C ATOM 2732 CE LYS B 66 13.933 12.930 -14.390 1.00 9.69 C ATOM 2733 NZ LYS B 66 15.054 12.373 -15.186 1.00 10.21 N ATOM 0 H LYS B 66 10.939 10.728 -10.954 1.00 6.93 H new ATOM 0 HA LYS B 66 9.810 13.183 -11.963 1.00 7.52 H new ATOM 0 HB2 LYS B 66 11.484 11.002 -13.273 1.00 8.01 H new ATOM 0 HB3 LYS B 66 11.129 12.566 -13.978 1.00 8.01 H new ATOM 0 HG2 LYS B 66 12.426 13.722 -12.319 1.00 8.37 H new ATOM 0 HG3 LYS B 66 12.539 12.296 -11.307 1.00 8.37 H new ATOM 0 HD2 LYS B 66 14.647 12.491 -12.415 1.00 8.79 H new ATOM 0 HD3 LYS B 66 13.813 11.158 -13.187 1.00 8.79 H new ATOM 0 HE2 LYS B 66 13.003 12.826 -14.950 1.00 9.69 H new ATOM 0 HE3 LYS B 66 14.093 13.997 -14.234 1.00 9.69 H new ATOM 0 HZ1 LYS B 66 15.115 12.872 -16.096 1.00 10.21 H new ATOM 0 HZ2 LYS B 66 15.945 12.495 -14.664 1.00 10.21 H new ATOM 0 HZ3 LYS B 66 14.889 11.360 -15.357 1.00 10.21 H new ATOM 2747 N LEU B 67 8.324 10.432 -12.539 1.00 6.76 N ATOM 2748 CA LEU B 67 7.188 9.797 -13.191 1.00 6.53 C ATOM 2749 C LEU B 67 5.890 10.419 -12.697 1.00 6.28 C ATOM 2750 O LEU B 67 5.091 10.918 -13.491 1.00 6.36 O ATOM 2751 CB LEU B 67 7.186 8.291 -12.915 1.00 6.25 C ATOM 2752 CG LEU B 67 8.405 7.526 -13.434 1.00 6.32 C ATOM 2753 CD1 LEU B 67 8.322 6.060 -13.038 1.00 5.80 C ATOM 2754 CD2 LEU B 67 8.506 7.661 -14.942 1.00 7.20 C ATOM 0 H LEU B 67 8.686 9.923 -11.733 1.00 6.76 H new ATOM 0 HA LEU B 67 7.271 9.953 -14.266 1.00 6.53 H new ATOM 0 HB2 LEU B 67 7.113 8.136 -11.839 1.00 6.25 H new ATOM 0 HB3 LEU B 67 6.290 7.859 -13.361 1.00 6.25 H new ATOM 0 HG LEU B 67 9.301 7.954 -12.984 1.00 6.32 H new ATOM 0 HD11 LEU B 67 9.197 5.531 -13.415 1.00 5.80 H new ATOM 0 HD12 LEU B 67 8.289 5.978 -11.952 1.00 5.80 H new ATOM 0 HD13 LEU B 67 7.420 5.619 -13.463 1.00 5.80 H new ATOM 0 HD21 LEU B 67 9.378 7.112 -15.299 1.00 7.20 H new ATOM 0 HD22 LEU B 67 7.607 7.255 -15.405 1.00 7.20 H new ATOM 0 HD23 LEU B 67 8.606 8.713 -15.207 1.00 7.20 H new ATOM 2766 N LYS B 68 5.709 10.397 -11.373 1.00 6.08 N ATOM 2767 CA LYS B 68 4.519 10.950 -10.715 1.00 6.00 C ATOM 2768 C LYS B 68 3.260 10.164 -11.072 1.00 5.93 C ATOM 2769 O LYS B 68 2.793 10.189 -12.209 1.00 6.24 O ATOM 2770 CB LYS B 68 4.325 12.431 -11.062 1.00 6.26 C ATOM 2771 CG LYS B 68 5.268 13.359 -10.317 1.00 6.39 C ATOM 2772 CD LYS B 68 4.783 14.799 -10.366 1.00 6.79 C ATOM 2773 CE LYS B 68 5.760 15.741 -9.682 1.00 7.05 C ATOM 2774 NZ LYS B 68 5.206 17.112 -9.551 1.00 7.58 N ATOM 0 H LYS B 68 6.385 9.994 -10.724 1.00 6.08 H new ATOM 0 HA LYS B 68 4.685 10.862 -9.641 1.00 6.00 H new ATOM 0 HB2 LYS B 68 4.468 12.566 -12.134 1.00 6.26 H new ATOM 0 HB3 LYS B 68 3.297 12.716 -10.839 1.00 6.26 H new ATOM 0 HG2 LYS B 68 5.353 13.037 -9.279 1.00 6.39 H new ATOM 0 HG3 LYS B 68 6.265 13.294 -10.753 1.00 6.39 H new ATOM 0 HD2 LYS B 68 4.649 15.103 -11.404 1.00 6.79 H new ATOM 0 HD3 LYS B 68 3.808 14.872 -9.884 1.00 6.79 H new ATOM 0 HE2 LYS B 68 6.007 15.353 -8.694 1.00 7.05 H new ATOM 0 HE3 LYS B 68 6.689 15.777 -10.252 1.00 7.05 H new ATOM 0 HZ1 LYS B 68 5.909 17.728 -9.095 1.00 7.58 H new ATOM 0 HZ2 LYS B 68 4.978 17.486 -10.494 1.00 7.58 H new ATOM 0 HZ3 LYS B 68 4.343 17.084 -8.972 1.00 7.58 H new ATOM 2788 N GLY B 69 2.718 9.460 -10.088 1.00 5.57 N ATOM 2789 CA GLY B 69 1.517 8.682 -10.312 1.00 5.53 C ATOM 2790 C GLY B 69 1.794 7.407 -11.071 1.00 5.28 C ATOM 2791 O GLY B 69 0.886 6.815 -11.659 1.00 5.43 O ATOM 0 H GLY B 69 3.089 9.414 -9.139 1.00 5.57 H new ATOM 0 HA2 GLY B 69 1.060 8.439 -9.353 1.00 5.53 H new ATOM 0 HA3 GLY B 69 0.796 9.283 -10.866 1.00 5.53 H new ATOM 2795 N GLN B 70 3.051 6.992 -11.060 1.00 4.96 N ATOM 2796 CA GLN B 70 3.477 5.781 -11.738 1.00 4.76 C ATOM 2797 C GLN B 70 4.259 4.903 -10.774 1.00 4.34 C ATOM 2798 O GLN B 70 4.703 5.372 -9.722 1.00 3.78 O ATOM 2799 CB GLN B 70 4.334 6.120 -12.958 1.00 4.98 C ATOM 2800 CG GLN B 70 3.535 6.674 -14.126 1.00 5.08 C ATOM 2801 CD GLN B 70 2.566 5.656 -14.695 1.00 5.18 C ATOM 2802 OE1 GLN B 70 2.915 4.886 -15.589 1.00 5.27 O ATOM 2803 NE2 GLN B 70 1.346 5.640 -14.179 1.00 5.43 N ATOM 0 H GLN B 70 3.803 7.486 -10.580 1.00 4.96 H new ATOM 0 HA GLN B 70 2.594 5.241 -12.080 1.00 4.76 H new ATOM 0 HB2 GLN B 70 5.092 6.848 -12.669 1.00 4.98 H new ATOM 0 HB3 GLN B 70 4.861 5.223 -13.282 1.00 4.98 H new ATOM 0 HG2 GLN B 70 2.983 7.555 -13.800 1.00 5.08 H new ATOM 0 HG3 GLN B 70 4.219 6.999 -14.910 1.00 5.08 H new ATOM 0 HE21 GLN B 70 1.097 6.296 -13.439 1.00 5.43 H new ATOM 0 HE22 GLN B 70 0.656 4.972 -14.522 1.00 5.43 H new ATOM 2812 N VAL B 71 4.427 3.639 -11.126 1.00 4.77 N ATOM 2813 CA VAL B 71 5.144 2.710 -10.271 1.00 4.57 C ATOM 2814 C VAL B 71 6.409 2.198 -10.956 1.00 4.76 C ATOM 2815 O VAL B 71 6.387 1.793 -12.118 1.00 5.54 O ATOM 2816 CB VAL B 71 4.241 1.525 -9.845 1.00 5.23 C ATOM 2817 CG1 VAL B 71 3.758 0.735 -11.052 1.00 5.54 C ATOM 2818 CG2 VAL B 71 4.960 0.621 -8.855 1.00 5.65 C ATOM 0 H VAL B 71 4.078 3.235 -11.995 1.00 4.77 H new ATOM 0 HA VAL B 71 5.437 3.253 -9.372 1.00 4.57 H new ATOM 0 HB VAL B 71 3.364 1.940 -9.349 1.00 5.23 H new ATOM 0 HG11 VAL B 71 3.127 -0.089 -10.719 1.00 5.54 H new ATOM 0 HG12 VAL B 71 3.184 1.389 -11.709 1.00 5.54 H new ATOM 0 HG13 VAL B 71 4.616 0.338 -11.594 1.00 5.54 H new ATOM 0 HG21 VAL B 71 4.305 -0.203 -8.572 1.00 5.65 H new ATOM 0 HG22 VAL B 71 5.864 0.223 -9.316 1.00 5.65 H new ATOM 0 HG23 VAL B 71 5.227 1.194 -7.967 1.00 5.65 H new ATOM 2828 N LEU B 72 7.515 2.249 -10.238 1.00 4.15 N ATOM 2829 CA LEU B 72 8.786 1.783 -10.758 1.00 4.35 C ATOM 2830 C LEU B 72 9.297 0.634 -9.903 1.00 4.51 C ATOM 2831 O LEU B 72 9.580 0.805 -8.714 1.00 4.34 O ATOM 2832 CB LEU B 72 9.806 2.921 -10.789 1.00 3.90 C ATOM 2833 CG LEU B 72 11.060 2.643 -11.613 1.00 3.93 C ATOM 2834 CD1 LEU B 72 10.700 2.394 -13.071 1.00 4.31 C ATOM 2835 CD2 LEU B 72 12.036 3.800 -11.494 1.00 4.11 C ATOM 0 H LEU B 72 7.558 2.612 -9.286 1.00 4.15 H new ATOM 0 HA LEU B 72 8.642 1.431 -11.780 1.00 4.35 H new ATOM 0 HB2 LEU B 72 9.320 3.813 -11.185 1.00 3.90 H new ATOM 0 HB3 LEU B 72 10.105 3.148 -9.766 1.00 3.90 H new ATOM 0 HG LEU B 72 11.538 1.745 -11.222 1.00 3.93 H new ATOM 0 HD11 LEU B 72 11.608 2.198 -13.642 1.00 4.31 H new ATOM 0 HD12 LEU B 72 10.035 1.533 -13.140 1.00 4.31 H new ATOM 0 HD13 LEU B 72 10.199 3.273 -13.477 1.00 4.31 H new ATOM 0 HD21 LEU B 72 12.926 3.588 -12.087 1.00 4.11 H new ATOM 0 HD22 LEU B 72 11.565 4.712 -11.860 1.00 4.11 H new ATOM 0 HD23 LEU B 72 12.319 3.931 -10.450 1.00 4.11 H new ATOM 2847 N SER B 73 9.401 -0.534 -10.511 1.00 5.01 N ATOM 2848 CA SER B 73 9.857 -1.724 -9.810 1.00 5.35 C ATOM 2849 C SER B 73 11.368 -1.905 -9.946 1.00 5.09 C ATOM 2850 O SER B 73 11.888 -2.119 -11.045 1.00 5.62 O ATOM 2851 CB SER B 73 9.121 -2.947 -10.357 1.00 6.05 C ATOM 2852 OG SER B 73 7.758 -2.643 -10.609 1.00 6.35 O ATOM 0 H SER B 73 9.175 -0.686 -11.494 1.00 5.01 H new ATOM 0 HA SER B 73 9.635 -1.609 -8.749 1.00 5.35 H new ATOM 0 HB2 SER B 73 9.599 -3.284 -11.277 1.00 6.05 H new ATOM 0 HB3 SER B 73 9.189 -3.768 -9.643 1.00 6.05 H new ATOM 0 HG SER B 73 7.305 -3.438 -10.960 1.00 6.35 H new ATOM 2858 N VAL B 74 12.067 -1.803 -8.825 1.00 4.34 N ATOM 2859 CA VAL B 74 13.514 -1.966 -8.799 1.00 4.11 C ATOM 2860 C VAL B 74 13.879 -3.293 -8.132 1.00 3.81 C ATOM 2861 O VAL B 74 13.394 -3.607 -7.044 1.00 3.69 O ATOM 2862 CB VAL B 74 14.207 -0.785 -8.073 1.00 3.94 C ATOM 2863 CG1 VAL B 74 13.549 -0.495 -6.730 1.00 3.77 C ATOM 2864 CG2 VAL B 74 15.693 -1.051 -7.898 1.00 3.75 C ATOM 0 H VAL B 74 11.652 -1.607 -7.914 1.00 4.34 H new ATOM 0 HA VAL B 74 13.871 -1.973 -9.829 1.00 4.11 H new ATOM 0 HB VAL B 74 14.090 0.100 -8.699 1.00 3.94 H new ATOM 0 HG11 VAL B 74 14.059 0.339 -6.247 1.00 3.77 H new ATOM 0 HG12 VAL B 74 12.501 -0.238 -6.886 1.00 3.77 H new ATOM 0 HG13 VAL B 74 13.615 -1.378 -6.094 1.00 3.77 H new ATOM 0 HG21 VAL B 74 16.156 -0.207 -7.386 1.00 3.75 H new ATOM 0 HG22 VAL B 74 15.833 -1.956 -7.307 1.00 3.75 H new ATOM 0 HG23 VAL B 74 16.157 -1.181 -8.876 1.00 3.75 H new ATOM 2874 N MET B 75 14.707 -4.078 -8.801 1.00 3.91 N ATOM 2875 CA MET B 75 15.124 -5.371 -8.280 1.00 3.74 C ATOM 2876 C MET B 75 16.532 -5.285 -7.700 1.00 3.48 C ATOM 2877 O MET B 75 17.517 -5.162 -8.435 1.00 3.88 O ATOM 2878 CB MET B 75 15.063 -6.427 -9.386 1.00 4.24 C ATOM 2879 CG MET B 75 15.341 -7.843 -8.904 1.00 4.67 C ATOM 2880 SD MET B 75 15.207 -9.056 -10.233 1.00 5.41 S ATOM 2881 CE MET B 75 15.604 -10.566 -9.357 1.00 5.42 C ATOM 0 H MET B 75 15.106 -3.842 -9.710 1.00 3.91 H new ATOM 0 HA MET B 75 14.443 -5.662 -7.480 1.00 3.74 H new ATOM 0 HB2 MET B 75 14.076 -6.398 -9.848 1.00 4.24 H new ATOM 0 HB3 MET B 75 15.785 -6.169 -10.161 1.00 4.24 H new ATOM 0 HG2 MET B 75 16.341 -7.888 -8.473 1.00 4.67 H new ATOM 0 HG3 MET B 75 14.640 -8.098 -8.110 1.00 4.67 H new ATOM 0 HE1 MET B 75 15.125 -11.411 -9.852 1.00 5.42 H new ATOM 0 HE2 MET B 75 16.684 -10.712 -9.355 1.00 5.42 H new ATOM 0 HE3 MET B 75 15.245 -10.496 -8.330 1.00 5.42 H new ATOM 2891 N PHE B 76 16.618 -5.343 -6.383 1.00 3.08 N ATOM 2892 CA PHE B 76 17.895 -5.273 -5.690 1.00 3.15 C ATOM 2893 C PHE B 76 17.921 -6.281 -4.548 1.00 3.14 C ATOM 2894 O PHE B 76 17.019 -7.108 -4.425 1.00 3.00 O ATOM 2895 CB PHE B 76 18.132 -3.852 -5.154 1.00 3.19 C ATOM 2896 CG PHE B 76 17.176 -3.445 -4.066 1.00 3.34 C ATOM 2897 CD1 PHE B 76 15.877 -3.080 -4.371 1.00 3.27 C ATOM 2898 CD2 PHE B 76 17.577 -3.431 -2.740 1.00 3.47 C ATOM 2899 CE1 PHE B 76 14.996 -2.710 -3.377 1.00 3.36 C ATOM 2900 CE2 PHE B 76 16.698 -3.062 -1.740 1.00 3.54 C ATOM 2901 CZ PHE B 76 15.406 -2.700 -2.060 1.00 2.78 C ATOM 0 H PHE B 76 15.812 -5.439 -5.766 1.00 3.08 H new ATOM 0 HA PHE B 76 18.693 -5.515 -6.392 1.00 3.15 H new ATOM 0 HB2 PHE B 76 19.151 -3.783 -4.774 1.00 3.19 H new ATOM 0 HB3 PHE B 76 18.051 -3.144 -5.979 1.00 3.19 H new ATOM 0 HD1 PHE B 76 15.549 -3.085 -5.400 1.00 3.27 H new ATOM 0 HD2 PHE B 76 18.588 -3.712 -2.485 1.00 3.47 H new ATOM 0 HE1 PHE B 76 13.985 -2.428 -3.630 1.00 3.36 H new ATOM 0 HE2 PHE B 76 17.022 -3.057 -0.710 1.00 3.54 H new ATOM 0 HZ PHE B 76 14.717 -2.409 -1.281 1.00 2.78 H new ATOM 2911 N ARG B 77 18.949 -6.216 -3.716 1.00 3.59 N ATOM 2912 CA ARG B 77 19.060 -7.122 -2.585 1.00 3.88 C ATOM 2913 C ARG B 77 18.962 -6.354 -1.274 1.00 4.20 C ATOM 2914 O ARG B 77 19.776 -5.476 -0.988 1.00 4.62 O ATOM 2915 CB ARG B 77 20.359 -7.917 -2.653 1.00 4.60 C ATOM 2916 CG ARG B 77 20.210 -9.227 -3.409 1.00 4.59 C ATOM 2917 CD ARG B 77 21.528 -9.964 -3.523 1.00 5.39 C ATOM 2918 NE ARG B 77 22.460 -9.289 -4.425 1.00 5.55 N ATOM 2919 CZ ARG B 77 23.741 -9.625 -4.554 1.00 6.25 C ATOM 2920 NH1 ARG B 77 24.244 -10.630 -3.848 1.00 6.80 N ATOM 2921 NH2 ARG B 77 24.520 -8.959 -5.398 1.00 6.51 N ATOM 0 H ARG B 77 19.715 -5.548 -3.802 1.00 3.59 H new ATOM 0 HA ARG B 77 18.231 -7.828 -2.630 1.00 3.88 H new ATOM 0 HB2 ARG B 77 21.126 -7.310 -3.135 1.00 4.60 H new ATOM 0 HB3 ARG B 77 20.706 -8.125 -1.641 1.00 4.60 H new ATOM 0 HG2 ARG B 77 19.483 -9.860 -2.900 1.00 4.59 H new ATOM 0 HG3 ARG B 77 19.817 -9.028 -4.406 1.00 4.59 H new ATOM 0 HD2 ARG B 77 21.980 -10.052 -2.535 1.00 5.39 H new ATOM 0 HD3 ARG B 77 21.346 -10.977 -3.882 1.00 5.39 H new ATOM 0 HE ARG B 77 22.108 -8.515 -4.988 1.00 5.55 H new ATOM 0 HH11 ARG B 77 23.648 -11.149 -3.203 1.00 6.80 H new ATOM 0 HH12 ARG B 77 25.227 -10.884 -3.950 1.00 6.80 H new ATOM 0 HH21 ARG B 77 24.136 -8.190 -5.947 1.00 6.51 H new ATOM 0 HH22 ARG B 77 25.502 -9.216 -5.497 1.00 6.51 H new ATOM 2935 N PHE B 78 17.952 -6.696 -0.488 1.00 4.21 N ATOM 2936 CA PHE B 78 17.704 -6.045 0.792 1.00 4.81 C ATOM 2937 C PHE B 78 18.246 -6.895 1.938 1.00 5.56 C ATOM 2938 O PHE B 78 18.205 -8.125 1.879 1.00 5.79 O ATOM 2939 CB PHE B 78 16.197 -5.825 0.963 1.00 4.67 C ATOM 2940 CG PHE B 78 15.831 -4.770 1.970 1.00 4.78 C ATOM 2941 CD1 PHE B 78 15.946 -3.425 1.661 1.00 5.01 C ATOM 2942 CD2 PHE B 78 15.363 -5.128 3.225 1.00 4.79 C ATOM 2943 CE1 PHE B 78 15.603 -2.456 2.584 1.00 5.19 C ATOM 2944 CE2 PHE B 78 15.017 -4.164 4.152 1.00 5.05 C ATOM 2945 CZ PHE B 78 15.136 -2.827 3.831 1.00 5.22 C ATOM 0 H PHE B 78 17.282 -7.430 -0.718 1.00 4.21 H new ATOM 0 HA PHE B 78 18.216 -5.083 0.810 1.00 4.81 H new ATOM 0 HB2 PHE B 78 15.771 -5.551 -0.002 1.00 4.67 H new ATOM 0 HB3 PHE B 78 15.736 -6.767 1.259 1.00 4.67 H new ATOM 0 HD1 PHE B 78 16.308 -3.130 0.687 1.00 5.01 H new ATOM 0 HD2 PHE B 78 15.268 -6.173 3.481 1.00 4.79 H new ATOM 0 HE1 PHE B 78 15.700 -1.410 2.332 1.00 5.19 H new ATOM 0 HE2 PHE B 78 14.654 -4.456 5.126 1.00 5.05 H new ATOM 0 HZ PHE B 78 14.865 -2.071 4.553 1.00 5.22 H new ATOM 2955 N ARG B 79 18.752 -6.236 2.972 1.00 6.05 N ATOM 2956 CA ARG B 79 19.296 -6.926 4.131 1.00 6.84 C ATOM 2957 C ARG B 79 18.176 -7.316 5.084 1.00 6.93 C ATOM 2958 O ARG B 79 17.444 -6.457 5.575 1.00 7.29 O ATOM 2959 CB ARG B 79 20.300 -6.032 4.858 1.00 7.82 C ATOM 2960 CG ARG B 79 21.130 -6.765 5.898 1.00 8.65 C ATOM 2961 CD ARG B 79 21.949 -5.796 6.738 1.00 9.63 C ATOM 2962 NE ARG B 79 21.160 -5.201 7.820 1.00 10.06 N ATOM 2963 CZ ARG B 79 21.372 -3.983 8.327 1.00 10.62 C ATOM 2964 NH1 ARG B 79 22.309 -3.189 7.817 1.00 10.80 N ATOM 2965 NH2 ARG B 79 20.630 -3.555 9.337 1.00 11.08 N ATOM 0 H ARG B 79 18.796 -5.219 3.030 1.00 6.05 H new ATOM 0 HA ARG B 79 19.805 -7.827 3.789 1.00 6.84 H new ATOM 0 HB2 ARG B 79 20.969 -5.581 4.125 1.00 7.82 H new ATOM 0 HB3 ARG B 79 19.763 -5.217 5.343 1.00 7.82 H new ATOM 0 HG2 ARG B 79 20.474 -7.346 6.546 1.00 8.65 H new ATOM 0 HG3 ARG B 79 21.796 -7.472 5.402 1.00 8.65 H new ATOM 0 HD2 ARG B 79 22.807 -6.319 7.161 1.00 9.63 H new ATOM 0 HD3 ARG B 79 22.341 -5.005 6.099 1.00 9.63 H new ATOM 0 HE ARG B 79 20.398 -5.754 8.212 1.00 10.06 H new ATOM 0 HH11 ARG B 79 22.875 -3.508 7.030 1.00 10.80 H new ATOM 0 HH12 ARG B 79 22.462 -2.261 8.212 1.00 10.80 H new ATOM 0 HH21 ARG B 79 19.901 -4.154 9.724 1.00 11.08 H new ATOM 0 HH22 ARG B 79 20.788 -2.626 9.728 1.00 11.08 H new ATOM 2979 N SER B 80 18.035 -8.606 5.335 1.00 6.76 N ATOM 2980 CA SER B 80 17.002 -9.087 6.229 1.00 7.04 C ATOM 2981 C SER B 80 17.497 -9.097 7.670 1.00 7.47 C ATOM 2982 O SER B 80 18.610 -8.657 7.958 1.00 7.38 O ATOM 2983 CB SER B 80 16.564 -10.489 5.813 1.00 6.83 C ATOM 2984 OG SER B 80 17.625 -11.417 5.954 1.00 7.21 O ATOM 0 H SER B 80 18.623 -9.336 4.932 1.00 6.76 H new ATOM 0 HA SER B 80 16.148 -8.413 6.165 1.00 7.04 H new ATOM 0 HB2 SER B 80 15.717 -10.805 6.422 1.00 6.83 H new ATOM 0 HB3 SER B 80 16.224 -10.475 4.777 1.00 6.83 H new ATOM 0 HG SER B 80 17.260 -12.303 6.157 1.00 7.21 H new ATOM 2990 N LYS B 81 16.665 -9.614 8.569 1.00 8.04 N ATOM 2991 CA LYS B 81 16.999 -9.698 9.984 1.00 8.55 C ATOM 2992 C LYS B 81 18.159 -10.673 10.202 1.00 8.41 C ATOM 2993 O LYS B 81 18.805 -10.666 11.250 1.00 8.72 O ATOM 2994 CB LYS B 81 15.767 -10.159 10.770 1.00 9.27 C ATOM 2995 CG LYS B 81 15.855 -9.937 12.271 1.00 10.06 C ATOM 2996 CD LYS B 81 15.634 -8.481 12.648 1.00 10.72 C ATOM 2997 CE LYS B 81 15.418 -8.331 14.143 1.00 11.62 C ATOM 2998 NZ LYS B 81 15.498 -6.913 14.577 1.00 12.24 N ATOM 0 H LYS B 81 15.744 -9.985 8.337 1.00 8.04 H new ATOM 0 HA LYS B 81 17.307 -8.714 10.338 1.00 8.55 H new ATOM 0 HB2 LYS B 81 14.891 -9.633 10.389 1.00 9.27 H new ATOM 0 HB3 LYS B 81 15.608 -11.221 10.582 1.00 9.27 H new ATOM 0 HG2 LYS B 81 15.113 -10.558 12.773 1.00 10.06 H new ATOM 0 HG3 LYS B 81 16.833 -10.259 12.628 1.00 10.06 H new ATOM 0 HD2 LYS B 81 16.495 -7.888 12.340 1.00 10.72 H new ATOM 0 HD3 LYS B 81 14.769 -8.090 12.111 1.00 10.72 H new ATOM 0 HE2 LYS B 81 14.443 -8.738 14.411 1.00 11.62 H new ATOM 0 HE3 LYS B 81 16.166 -8.917 14.678 1.00 11.62 H new ATOM 0 HZ1 LYS B 81 15.898 -6.865 15.536 1.00 12.24 H new ATOM 0 HZ2 LYS B 81 16.107 -6.383 13.921 1.00 12.24 H new ATOM 0 HZ3 LYS B 81 14.545 -6.496 14.578 1.00 12.24 H new ATOM 3012 N ASN B 82 18.420 -11.504 9.196 1.00 8.00 N ATOM 3013 CA ASN B 82 19.502 -12.482 9.266 1.00 7.89 C ATOM 3014 C ASN B 82 20.773 -11.891 8.667 1.00 7.36 C ATOM 3015 O ASN B 82 21.789 -12.575 8.535 1.00 7.24 O ATOM 3016 CB ASN B 82 19.133 -13.769 8.519 1.00 7.92 C ATOM 3017 CG ASN B 82 17.762 -14.306 8.888 1.00 8.51 C ATOM 3018 OD1 ASN B 82 17.283 -14.122 10.010 1.00 9.25 O ATOM 3019 ND2 ASN B 82 17.122 -14.975 7.941 1.00 8.28 N ATOM 0 H ASN B 82 17.896 -11.519 8.321 1.00 8.00 H new ATOM 0 HA ASN B 82 19.669 -12.728 10.315 1.00 7.89 H new ATOM 0 HB2 ASN B 82 19.165 -13.580 7.446 1.00 7.92 H new ATOM 0 HB3 ASN B 82 19.883 -14.531 8.730 1.00 7.92 H new ATOM 0 HD21 ASN B 82 16.196 -15.361 8.126 1.00 8.28 H new ATOM 0 HD22 ASN B 82 17.555 -15.104 7.026 1.00 8.28 H new ATOM 3026 N GLN B 83 20.686 -10.614 8.290 1.00 7.14 N ATOM 3027 CA GLN B 83 21.803 -9.869 7.703 1.00 6.77 C ATOM 3028 C GLN B 83 22.157 -10.374 6.305 1.00 6.51 C ATOM 3029 O GLN B 83 23.229 -10.073 5.783 1.00 6.48 O ATOM 3030 CB GLN B 83 23.038 -9.917 8.610 1.00 7.42 C ATOM 3031 CG GLN B 83 23.099 -8.787 9.626 1.00 7.60 C ATOM 3032 CD GLN B 83 21.920 -8.780 10.579 1.00 7.62 C ATOM 3033 OE1 GLN B 83 20.918 -8.106 10.341 1.00 7.12 O ATOM 3034 NE2 GLN B 83 22.024 -9.536 11.660 1.00 8.30 N ATOM 0 H GLN B 83 19.833 -10.063 8.384 1.00 7.14 H new ATOM 0 HA GLN B 83 21.476 -8.833 7.611 1.00 6.77 H new ATOM 0 HB2 GLN B 83 23.051 -10.870 9.139 1.00 7.42 H new ATOM 0 HB3 GLN B 83 23.934 -9.884 7.990 1.00 7.42 H new ATOM 0 HG2 GLN B 83 24.022 -8.872 10.200 1.00 7.60 H new ATOM 0 HG3 GLN B 83 23.138 -7.834 9.099 1.00 7.60 H new ATOM 0 HE21 GLN B 83 22.871 -10.080 11.822 1.00 8.30 H new ATOM 0 HE22 GLN B 83 21.257 -9.574 12.331 1.00 8.30 H new ATOM 3043 N GLU B 84 21.256 -11.129 5.692 1.00 6.48 N ATOM 3044 CA GLU B 84 21.494 -11.649 4.352 1.00 6.41 C ATOM 3045 C GLU B 84 20.823 -10.743 3.322 1.00 6.26 C ATOM 3046 O GLU B 84 19.791 -10.132 3.609 1.00 6.30 O ATOM 3047 CB GLU B 84 20.980 -13.092 4.229 1.00 6.62 C ATOM 3048 CG GLU B 84 19.469 -13.222 4.324 1.00 6.46 C ATOM 3049 CD GLU B 84 19.006 -14.653 4.494 1.00 6.60 C ATOM 3050 OE1 GLU B 84 19.156 -15.449 3.544 1.00 6.74 O ATOM 3051 OE2 GLU B 84 18.477 -14.989 5.573 1.00 6.78 O ATOM 0 H GLU B 84 20.359 -11.394 6.098 1.00 6.48 H new ATOM 0 HA GLU B 84 22.567 -11.662 4.163 1.00 6.41 H new ATOM 0 HB2 GLU B 84 21.310 -13.504 3.275 1.00 6.62 H new ATOM 0 HB3 GLU B 84 21.436 -13.697 5.013 1.00 6.62 H new ATOM 0 HG2 GLU B 84 19.111 -12.628 5.165 1.00 6.46 H new ATOM 0 HG3 GLU B 84 19.017 -12.805 3.424 1.00 6.46 H new ATOM 3058 N TRP B 85 21.413 -10.638 2.138 1.00 6.19 N ATOM 3059 CA TRP B 85 20.853 -9.793 1.090 1.00 6.19 C ATOM 3060 C TRP B 85 19.980 -10.625 0.157 1.00 6.20 C ATOM 3061 O TRP B 85 20.491 -11.371 -0.681 1.00 6.38 O ATOM 3062 CB TRP B 85 21.953 -9.104 0.272 1.00 6.55 C ATOM 3063 CG TRP B 85 23.201 -8.778 1.039 1.00 6.95 C ATOM 3064 CD1 TRP B 85 24.340 -9.525 1.087 1.00 7.63 C ATOM 3065 CD2 TRP B 85 23.450 -7.618 1.844 1.00 6.78 C ATOM 3066 NE1 TRP B 85 25.277 -8.913 1.879 1.00 7.89 N ATOM 3067 CE2 TRP B 85 24.757 -7.739 2.354 1.00 7.40 C ATOM 3068 CE3 TRP B 85 22.699 -6.492 2.187 1.00 6.23 C ATOM 3069 CZ2 TRP B 85 25.327 -6.779 3.185 1.00 7.53 C ATOM 3070 CZ3 TRP B 85 23.265 -5.540 3.011 1.00 6.39 C ATOM 3071 CH2 TRP B 85 24.568 -5.688 3.502 1.00 7.05 C ATOM 0 H TRP B 85 22.272 -11.123 1.880 1.00 6.19 H new ATOM 0 HA TRP B 85 20.252 -9.024 1.575 1.00 6.19 H new ATOM 0 HB2 TRP B 85 22.218 -9.747 -0.568 1.00 6.55 H new ATOM 0 HB3 TRP B 85 21.550 -8.182 -0.147 1.00 6.55 H new ATOM 0 HD1 TRP B 85 24.484 -10.465 0.574 1.00 7.63 H new ATOM 0 HE1 TRP B 85 26.209 -9.274 2.081 1.00 7.89 H new ATOM 0 HE3 TRP B 85 21.693 -6.368 1.814 1.00 6.23 H new ATOM 0 HZ2 TRP B 85 26.332 -6.892 3.565 1.00 7.53 H new ATOM 0 HZ3 TRP B 85 22.692 -4.665 3.282 1.00 6.39 H new ATOM 0 HH2 TRP B 85 24.981 -4.924 4.144 1.00 7.05 H new ATOM 3082 N LEU B 86 18.669 -10.503 0.308 1.00 6.05 N ATOM 3083 CA LEU B 86 17.730 -11.245 -0.524 1.00 6.08 C ATOM 3084 C LEU B 86 17.234 -10.381 -1.675 1.00 5.83 C ATOM 3085 O LEU B 86 17.085 -9.167 -1.529 1.00 5.96 O ATOM 3086 CB LEU B 86 16.547 -11.748 0.312 1.00 6.32 C ATOM 3087 CG LEU B 86 15.873 -10.704 1.208 1.00 6.76 C ATOM 3088 CD1 LEU B 86 14.637 -10.128 0.533 1.00 6.60 C ATOM 3089 CD2 LEU B 86 15.507 -11.318 2.548 1.00 6.97 C ATOM 0 H LEU B 86 18.230 -9.896 1.000 1.00 6.05 H new ATOM 0 HA LEU B 86 18.252 -12.107 -0.939 1.00 6.08 H new ATOM 0 HB2 LEU B 86 15.797 -12.158 -0.364 1.00 6.32 H new ATOM 0 HB3 LEU B 86 16.893 -12.569 0.940 1.00 6.32 H new ATOM 0 HG LEU B 86 16.579 -9.890 1.376 1.00 6.76 H new ATOM 0 HD11 LEU B 86 14.176 -9.389 1.188 1.00 6.60 H new ATOM 0 HD12 LEU B 86 14.923 -9.653 -0.405 1.00 6.60 H new ATOM 0 HD13 LEU B 86 13.926 -10.929 0.332 1.00 6.60 H new ATOM 0 HD21 LEU B 86 15.029 -10.565 3.175 1.00 6.97 H new ATOM 0 HD22 LEU B 86 14.820 -12.150 2.392 1.00 6.97 H new ATOM 0 HD23 LEU B 86 16.409 -11.681 3.041 1.00 6.97 H new ATOM 3101 N TRP B 87 16.980 -11.007 -2.814 1.00 5.64 N ATOM 3102 CA TRP B 87 16.503 -10.291 -3.986 1.00 5.53 C ATOM 3103 C TRP B 87 15.054 -9.876 -3.791 1.00 4.89 C ATOM 3104 O TRP B 87 14.169 -10.721 -3.654 1.00 4.93 O ATOM 3105 CB TRP B 87 16.637 -11.157 -5.239 1.00 6.09 C ATOM 3106 CG TRP B 87 18.055 -11.355 -5.678 1.00 6.88 C ATOM 3107 CD1 TRP B 87 18.916 -12.325 -5.255 1.00 7.60 C ATOM 3108 CD2 TRP B 87 18.775 -10.563 -6.626 1.00 7.12 C ATOM 3109 NE1 TRP B 87 20.129 -12.182 -5.881 1.00 8.31 N ATOM 3110 CE2 TRP B 87 20.068 -11.108 -6.727 1.00 8.03 C ATOM 3111 CE3 TRP B 87 18.453 -9.443 -7.397 1.00 6.72 C ATOM 3112 CZ2 TRP B 87 21.036 -10.573 -7.572 1.00 8.55 C ATOM 3113 CZ3 TRP B 87 19.414 -8.914 -8.235 1.00 7.21 C ATOM 3114 CH2 TRP B 87 20.693 -9.479 -8.317 1.00 8.12 C ATOM 0 H TRP B 87 17.097 -12.011 -2.951 1.00 5.64 H new ATOM 0 HA TRP B 87 17.114 -9.398 -4.117 1.00 5.53 H new ATOM 0 HB2 TRP B 87 16.184 -12.130 -5.049 1.00 6.09 H new ATOM 0 HB3 TRP B 87 16.074 -10.697 -6.051 1.00 6.09 H new ATOM 0 HD1 TRP B 87 18.678 -13.093 -4.534 1.00 7.60 H new ATOM 0 HE1 TRP B 87 20.944 -12.779 -5.739 1.00 8.31 H new ATOM 0 HE3 TRP B 87 17.470 -8.999 -7.338 1.00 6.72 H new ATOM 0 HZ2 TRP B 87 22.023 -11.007 -7.637 1.00 8.55 H new ATOM 0 HZ3 TRP B 87 19.176 -8.050 -8.838 1.00 7.21 H new ATOM 0 HH2 TRP B 87 21.423 -9.042 -8.982 1.00 8.12 H new ATOM 3125 N MET B 88 14.821 -8.577 -3.776 1.00 4.38 N ATOM 3126 CA MET B 88 13.488 -8.043 -3.586 1.00 3.86 C ATOM 3127 C MET B 88 13.178 -6.989 -4.636 1.00 4.20 C ATOM 3128 O MET B 88 14.010 -6.133 -4.940 1.00 4.46 O ATOM 3129 CB MET B 88 13.356 -7.448 -2.180 1.00 3.90 C ATOM 3130 CG MET B 88 11.996 -6.828 -1.900 1.00 3.23 C ATOM 3131 SD MET B 88 11.349 -7.282 -0.278 1.00 2.82 S ATOM 3132 CE MET B 88 12.610 -6.607 0.800 1.00 3.18 C ATOM 0 H MET B 88 15.545 -7.868 -3.894 1.00 4.38 H new ATOM 0 HA MET B 88 12.770 -8.856 -3.695 1.00 3.86 H new ATOM 0 HB2 MET B 88 13.546 -8.230 -1.445 1.00 3.90 H new ATOM 0 HB3 MET B 88 14.126 -6.689 -2.043 1.00 3.90 H new ATOM 0 HG2 MET B 88 12.075 -5.743 -1.965 1.00 3.23 H new ATOM 0 HG3 MET B 88 11.291 -7.143 -2.670 1.00 3.23 H new ATOM 0 HE1 MET B 88 12.252 -6.618 1.830 1.00 3.18 H new ATOM 0 HE2 MET B 88 13.515 -7.210 0.724 1.00 3.18 H new ATOM 0 HE3 MET B 88 12.831 -5.582 0.503 1.00 3.18 H new ATOM 3142 N ARG B 89 11.992 -7.081 -5.207 1.00 4.41 N ATOM 3143 CA ARG B 89 11.548 -6.134 -6.210 1.00 5.04 C ATOM 3144 C ARG B 89 10.687 -5.069 -5.551 1.00 5.07 C ATOM 3145 O ARG B 89 9.542 -5.323 -5.177 1.00 5.15 O ATOM 3146 CB ARG B 89 10.757 -6.842 -7.309 1.00 5.18 C ATOM 3147 CG ARG B 89 10.261 -5.904 -8.396 1.00 5.63 C ATOM 3148 CD ARG B 89 9.062 -6.487 -9.123 1.00 5.93 C ATOM 3149 NE ARG B 89 7.947 -6.752 -8.217 1.00 5.96 N ATOM 3150 CZ ARG B 89 6.793 -7.294 -8.602 1.00 6.42 C ATOM 3151 NH1 ARG B 89 6.583 -7.582 -9.881 1.00 6.87 N ATOM 3152 NH2 ARG B 89 5.841 -7.534 -7.710 1.00 6.59 N ATOM 0 H ARG B 89 11.313 -7.810 -4.990 1.00 4.41 H new ATOM 0 HA ARG B 89 12.421 -5.667 -6.666 1.00 5.04 H new ATOM 0 HB2 ARG B 89 11.385 -7.610 -7.761 1.00 5.18 H new ATOM 0 HB3 ARG B 89 9.903 -7.351 -6.861 1.00 5.18 H new ATOM 0 HG2 ARG B 89 9.991 -4.944 -7.956 1.00 5.63 H new ATOM 0 HG3 ARG B 89 11.063 -5.713 -9.109 1.00 5.63 H new ATOM 0 HD2 ARG B 89 8.740 -5.796 -9.902 1.00 5.93 H new ATOM 0 HD3 ARG B 89 9.354 -7.413 -9.619 1.00 5.93 H new ATOM 0 HE ARG B 89 8.059 -6.508 -7.233 1.00 5.96 H new ATOM 0 HH11 ARG B 89 7.307 -7.388 -10.573 1.00 6.87 H new ATOM 0 HH12 ARG B 89 5.698 -7.997 -10.172 1.00 6.87 H new ATOM 0 HH21 ARG B 89 5.992 -7.303 -6.728 1.00 6.59 H new ATOM 0 HH22 ARG B 89 4.958 -7.949 -8.006 1.00 6.59 H new ATOM 3166 N THR B 90 11.252 -3.892 -5.390 1.00 5.17 N ATOM 3167 CA THR B 90 10.556 -2.787 -4.770 1.00 5.29 C ATOM 3168 C THR B 90 9.772 -1.985 -5.804 1.00 5.66 C ATOM 3169 O THR B 90 10.348 -1.270 -6.626 1.00 6.18 O ATOM 3170 CB THR B 90 11.555 -1.879 -4.026 1.00 5.07 C ATOM 3171 OG1 THR B 90 12.046 -2.564 -2.873 1.00 5.02 O ATOM 3172 CG2 THR B 90 10.919 -0.567 -3.600 1.00 4.69 C ATOM 0 H THR B 90 12.204 -3.675 -5.685 1.00 5.17 H new ATOM 0 HA THR B 90 9.845 -3.192 -4.049 1.00 5.29 H new ATOM 0 HB THR B 90 12.372 -1.647 -4.710 1.00 5.07 H new ATOM 0 HG1 THR B 90 12.671 -1.984 -2.389 1.00 5.02 H new ATOM 0 HG21 THR B 90 11.657 0.043 -3.079 1.00 4.69 H new ATOM 0 HG22 THR B 90 10.563 -0.033 -4.481 1.00 4.69 H new ATOM 0 HG23 THR B 90 10.080 -0.769 -2.934 1.00 4.69 H new ATOM 3180 N SER B 91 8.457 -2.136 -5.775 1.00 5.49 N ATOM 3181 CA SER B 91 7.582 -1.419 -6.690 1.00 5.86 C ATOM 3182 C SER B 91 7.217 -0.066 -6.084 1.00 5.46 C ATOM 3183 O SER B 91 6.220 0.062 -5.381 1.00 4.98 O ATOM 3184 CB SER B 91 6.328 -2.249 -6.964 1.00 6.04 C ATOM 3185 OG SER B 91 6.619 -3.637 -6.901 1.00 6.30 O ATOM 0 H SER B 91 7.970 -2.752 -5.124 1.00 5.49 H new ATOM 0 HA SER B 91 8.095 -1.252 -7.637 1.00 5.86 H new ATOM 0 HB2 SER B 91 5.556 -2.001 -6.236 1.00 6.04 H new ATOM 0 HB3 SER B 91 5.930 -2.001 -7.948 1.00 6.04 H new ATOM 0 HG SER B 91 6.632 -3.926 -5.965 1.00 6.30 H new ATOM 3191 N SER B 92 8.042 0.933 -6.352 1.00 5.80 N ATOM 3192 CA SER B 92 7.836 2.270 -5.808 1.00 5.57 C ATOM 3193 C SER B 92 6.795 3.054 -6.600 1.00 5.56 C ATOM 3194 O SER B 92 6.932 3.236 -7.805 1.00 5.52 O ATOM 3195 CB SER B 92 9.165 3.024 -5.804 1.00 6.27 C ATOM 3196 OG SER B 92 10.193 2.226 -5.242 1.00 6.65 O ATOM 0 H SER B 92 8.866 0.844 -6.946 1.00 5.80 H new ATOM 0 HA SER B 92 7.460 2.166 -4.790 1.00 5.57 H new ATOM 0 HB2 SER B 92 9.432 3.305 -6.823 1.00 6.27 H new ATOM 0 HB3 SER B 92 9.063 3.948 -5.235 1.00 6.27 H new ATOM 0 HG SER B 92 10.076 2.179 -4.270 1.00 6.65 H new ATOM 3202 N PHE B 93 5.754 3.502 -5.916 1.00 5.71 N ATOM 3203 CA PHE B 93 4.693 4.285 -6.532 1.00 5.89 C ATOM 3204 C PHE B 93 4.671 5.690 -5.938 1.00 6.45 C ATOM 3205 O PHE B 93 4.601 5.855 -4.717 1.00 6.45 O ATOM 3206 CB PHE B 93 3.337 3.601 -6.317 1.00 5.69 C ATOM 3207 CG PHE B 93 2.188 4.288 -7.008 1.00 5.63 C ATOM 3208 CD1 PHE B 93 1.956 4.085 -8.358 1.00 5.74 C ATOM 3209 CD2 PHE B 93 1.336 5.129 -6.307 1.00 5.63 C ATOM 3210 CE1 PHE B 93 0.902 4.707 -8.998 1.00 5.78 C ATOM 3211 CE2 PHE B 93 0.278 5.754 -6.942 1.00 5.68 C ATOM 3212 CZ PHE B 93 0.061 5.541 -8.289 1.00 5.73 C ATOM 0 H PHE B 93 5.620 3.334 -4.919 1.00 5.71 H new ATOM 0 HA PHE B 93 4.883 4.356 -7.603 1.00 5.89 H new ATOM 0 HB2 PHE B 93 3.400 2.573 -6.673 1.00 5.69 H new ATOM 0 HB3 PHE B 93 3.130 3.556 -5.248 1.00 5.69 H new ATOM 0 HD1 PHE B 93 2.608 3.431 -8.918 1.00 5.74 H new ATOM 0 HD2 PHE B 93 1.501 5.298 -5.253 1.00 5.63 H new ATOM 0 HE1 PHE B 93 0.736 4.541 -10.052 1.00 5.78 H new ATOM 0 HE2 PHE B 93 -0.377 6.407 -6.385 1.00 5.68 H new ATOM 0 HZ PHE B 93 -0.765 6.026 -8.787 1.00 5.73 H new ATOM 3222 N THR B 94 4.748 6.695 -6.793 1.00 7.02 N ATOM 3223 CA THR B 94 4.731 8.075 -6.344 1.00 7.65 C ATOM 3224 C THR B 94 3.300 8.593 -6.245 1.00 7.67 C ATOM 3225 O THR B 94 2.661 8.880 -7.261 1.00 8.38 O ATOM 3226 CB THR B 94 5.544 8.974 -7.294 1.00 8.72 C ATOM 3227 OG1 THR B 94 5.619 8.372 -8.595 1.00 8.98 O ATOM 3228 CG2 THR B 94 6.945 9.197 -6.748 1.00 9.17 C ATOM 0 H THR B 94 4.823 6.580 -7.804 1.00 7.02 H new ATOM 0 HA THR B 94 5.189 8.107 -5.355 1.00 7.65 H new ATOM 0 HB THR B 94 5.042 9.938 -7.373 1.00 8.72 H new ATOM 0 HG1 THR B 94 6.496 8.558 -8.992 1.00 8.98 H new ATOM 0 HG21 THR B 94 7.505 9.834 -7.432 1.00 9.17 H new ATOM 0 HG22 THR B 94 6.883 9.679 -5.772 1.00 9.17 H new ATOM 0 HG23 THR B 94 7.453 8.238 -6.647 1.00 9.17 H new ATOM 3236 N PHE B 95 2.795 8.697 -5.021 1.00 7.03 N ATOM 3237 CA PHE B 95 1.437 9.175 -4.803 1.00 7.23 C ATOM 3238 C PHE B 95 1.345 10.670 -5.083 1.00 7.66 C ATOM 3239 O PHE B 95 2.176 11.450 -4.613 1.00 7.94 O ATOM 3240 CB PHE B 95 0.976 8.872 -3.376 1.00 6.55 C ATOM 3241 CG PHE B 95 -0.388 8.240 -3.313 1.00 6.95 C ATOM 3242 CD1 PHE B 95 -1.121 8.024 -4.471 1.00 7.38 C ATOM 3243 CD2 PHE B 95 -0.938 7.859 -2.099 1.00 6.97 C ATOM 3244 CE1 PHE B 95 -2.372 7.443 -4.421 1.00 7.77 C ATOM 3245 CE2 PHE B 95 -2.190 7.277 -2.043 1.00 7.38 C ATOM 3246 CZ PHE B 95 -2.907 7.069 -3.207 1.00 8.33 C ATOM 0 H PHE B 95 3.303 8.458 -4.169 1.00 7.03 H new ATOM 0 HA PHE B 95 0.778 8.650 -5.495 1.00 7.23 H new ATOM 0 HB2 PHE B 95 1.699 8.208 -2.901 1.00 6.55 H new ATOM 0 HB3 PHE B 95 0.967 9.797 -2.800 1.00 6.55 H new ATOM 0 HD1 PHE B 95 -0.707 8.315 -5.425 1.00 7.38 H new ATOM 0 HD2 PHE B 95 -0.382 8.019 -1.187 1.00 6.97 H new ATOM 0 HE1 PHE B 95 -2.931 7.282 -5.331 1.00 7.77 H new ATOM 0 HE2 PHE B 95 -2.608 6.985 -1.091 1.00 7.38 H new ATOM 0 HZ PHE B 95 -3.885 6.614 -3.165 1.00 8.33 H new ATOM 3256 N GLN B 96 0.331 11.054 -5.847 1.00 7.77 N ATOM 3257 CA GLN B 96 0.132 12.449 -6.218 1.00 8.24 C ATOM 3258 C GLN B 96 -0.911 13.126 -5.339 1.00 8.05 C ATOM 3259 O GLN B 96 -1.954 12.546 -5.033 1.00 8.10 O ATOM 3260 CB GLN B 96 -0.332 12.553 -7.672 1.00 8.94 C ATOM 3261 CG GLN B 96 0.684 12.079 -8.692 1.00 9.25 C ATOM 3262 CD GLN B 96 0.103 12.034 -10.093 1.00 9.90 C ATOM 3263 OE1 GLN B 96 -0.413 11.008 -10.535 1.00 9.95 O ATOM 3264 NE2 GLN B 96 0.152 13.154 -10.791 1.00 10.53 N ATOM 0 H GLN B 96 -0.370 10.416 -6.224 1.00 7.77 H new ATOM 0 HA GLN B 96 1.091 12.950 -6.084 1.00 8.24 H new ATOM 0 HB2 GLN B 96 -1.246 11.971 -7.791 1.00 8.94 H new ATOM 0 HB3 GLN B 96 -0.585 13.591 -7.886 1.00 8.94 H new ATOM 0 HG2 GLN B 96 1.548 12.743 -8.679 1.00 9.25 H new ATOM 0 HG3 GLN B 96 1.040 11.087 -8.415 1.00 9.25 H new ATOM 0 HE21 GLN B 96 0.588 13.985 -10.392 1.00 10.53 H new ATOM 0 HE22 GLN B 96 -0.246 13.188 -11.729 1.00 10.53 H new ATOM 3273 N ASN B 97 -0.620 14.352 -4.936 1.00 7.96 N ATOM 3274 CA ASN B 97 -1.550 15.134 -4.139 1.00 7.92 C ATOM 3275 C ASN B 97 -2.444 15.925 -5.085 1.00 8.14 C ATOM 3276 O ASN B 97 -1.948 16.657 -5.947 1.00 8.43 O ATOM 3277 CB ASN B 97 -0.801 16.085 -3.201 1.00 7.98 C ATOM 3278 CG ASN B 97 -1.733 16.842 -2.267 1.00 8.09 C ATOM 3279 OD1 ASN B 97 -2.713 16.294 -1.758 1.00 8.16 O ATOM 3280 ND2 ASN B 97 -1.446 18.115 -2.052 1.00 8.31 N ATOM 0 H ASN B 97 0.256 14.828 -5.149 1.00 7.96 H new ATOM 0 HA ASN B 97 -2.151 14.466 -3.521 1.00 7.92 H new ATOM 0 HB2 ASN B 97 -0.084 15.516 -2.609 1.00 7.98 H new ATOM 0 HB3 ASN B 97 -0.229 16.799 -3.794 1.00 7.98 H new ATOM 0 HD21 ASN B 97 -2.045 18.678 -1.447 1.00 8.31 H new ATOM 0 HD22 ASN B 97 -0.626 18.534 -2.491 1.00 8.31 H new ATOM 3287 N PRO B 98 -3.768 15.765 -4.965 1.00 8.11 N ATOM 3288 CA PRO B 98 -4.743 16.456 -5.824 1.00 8.36 C ATOM 3289 C PRO B 98 -4.845 17.962 -5.553 1.00 8.56 C ATOM 3290 O PRO B 98 -5.940 18.496 -5.363 1.00 9.16 O ATOM 3291 CB PRO B 98 -6.059 15.759 -5.477 1.00 8.39 C ATOM 3292 CG PRO B 98 -5.874 15.259 -4.089 1.00 8.29 C ATOM 3293 CD PRO B 98 -4.426 14.878 -3.984 1.00 7.99 C ATOM 0 HA PRO B 98 -4.461 16.396 -6.875 1.00 8.36 H new ATOM 0 HB2 PRO B 98 -6.900 16.450 -5.539 1.00 8.39 H new ATOM 0 HB3 PRO B 98 -6.267 14.941 -6.167 1.00 8.39 H new ATOM 0 HG2 PRO B 98 -6.131 16.027 -3.359 1.00 8.29 H new ATOM 0 HG3 PRO B 98 -6.519 14.403 -3.892 1.00 8.29 H new ATOM 0 HD2 PRO B 98 -4.041 15.036 -2.977 1.00 7.99 H new ATOM 0 HD3 PRO B 98 -4.269 13.826 -4.224 1.00 7.99 H new ATOM 3301 N TYR B 99 -3.707 18.640 -5.542 1.00 8.20 N ATOM 3302 CA TYR B 99 -3.668 20.078 -5.309 1.00 8.49 C ATOM 3303 C TYR B 99 -2.678 20.745 -6.260 1.00 8.25 C ATOM 3304 O TYR B 99 -3.076 21.327 -7.268 1.00 8.70 O ATOM 3305 CB TYR B 99 -3.309 20.380 -3.851 1.00 8.61 C ATOM 3306 CG TYR B 99 -4.479 20.222 -2.900 1.00 9.49 C ATOM 3307 CD1 TYR B 99 -5.366 21.269 -2.677 1.00 9.79 C ATOM 3308 CD2 TYR B 99 -4.701 19.022 -2.233 1.00 9.80 C ATOM 3309 CE1 TYR B 99 -6.438 21.123 -1.821 1.00 10.35 C ATOM 3310 CE2 TYR B 99 -5.773 18.871 -1.375 1.00 10.36 C ATOM 3311 CZ TYR B 99 -6.637 19.925 -1.171 1.00 10.60 C ATOM 3312 OH TYR B 99 -7.709 19.778 -0.323 1.00 11.34 O ATOM 0 H TYR B 99 -2.792 18.215 -5.693 1.00 8.20 H new ATOM 0 HA TYR B 99 -4.660 20.486 -5.505 1.00 8.49 H new ATOM 0 HB2 TYR B 99 -2.503 19.716 -3.538 1.00 8.61 H new ATOM 0 HB3 TYR B 99 -2.928 21.399 -3.781 1.00 8.61 H new ATOM 0 HD1 TYR B 99 -5.213 22.211 -3.182 1.00 9.79 H new ATOM 0 HD2 TYR B 99 -4.024 18.195 -2.388 1.00 9.80 H new ATOM 0 HE1 TYR B 99 -7.119 21.946 -1.661 1.00 10.35 H new ATOM 0 HE2 TYR B 99 -5.933 17.932 -0.867 1.00 10.36 H new ATOM 0 HH TYR B 99 -7.706 18.873 0.054 1.00 11.34 H new ATOM 3322 N SER B 100 -1.390 20.634 -5.955 1.00 7.67 N ATOM 3323 CA SER B 100 -0.353 21.224 -6.793 1.00 7.55 C ATOM 3324 C SER B 100 0.484 20.121 -7.439 1.00 7.32 C ATOM 3325 O SER B 100 1.618 20.349 -7.867 1.00 7.75 O ATOM 3326 CB SER B 100 0.537 22.156 -5.965 1.00 7.45 C ATOM 3327 OG SER B 100 -0.243 23.082 -5.223 1.00 7.36 O ATOM 0 H SER B 100 -1.039 20.141 -5.134 1.00 7.67 H new ATOM 0 HA SER B 100 -0.827 21.812 -7.579 1.00 7.55 H new ATOM 0 HB2 SER B 100 1.152 21.567 -5.285 1.00 7.45 H new ATOM 0 HB3 SER B 100 1.217 22.695 -6.624 1.00 7.45 H new ATOM 0 HG SER B 100 0.348 23.664 -4.702 1.00 7.36 H new ATOM 3333 N ASP B 101 -0.097 18.924 -7.483 1.00 6.80 N ATOM 3334 CA ASP B 101 0.544 17.745 -8.068 1.00 6.71 C ATOM 3335 C ASP B 101 1.827 17.386 -7.327 1.00 6.51 C ATOM 3336 O ASP B 101 2.804 16.930 -7.928 1.00 6.46 O ATOM 3337 CB ASP B 101 0.840 17.962 -9.556 1.00 7.30 C ATOM 3338 CG ASP B 101 0.868 16.660 -10.330 1.00 8.84 C ATOM 3339 OD1 ASP B 101 0.003 15.795 -10.073 1.00 9.08 O ATOM 3340 OD2 ASP B 101 1.738 16.504 -11.213 1.00 8.97 O ATOM 0 H ASP B 101 -1.030 18.742 -7.113 1.00 6.80 H new ATOM 0 HA ASP B 101 -0.154 16.913 -7.968 1.00 6.71 H new ATOM 0 HB2 ASP B 101 0.083 18.620 -9.983 1.00 7.30 H new ATOM 0 HB3 ASP B 101 1.800 18.467 -9.664 1.00 7.30 H new ATOM 3345 N GLU B 102 1.821 17.600 -6.019 1.00 6.62 N ATOM 3346 CA GLU B 102 2.974 17.290 -5.191 1.00 6.76 C ATOM 3347 C GLU B 102 2.976 15.810 -4.846 1.00 6.49 C ATOM 3348 O GLU B 102 1.967 15.126 -5.018 1.00 6.08 O ATOM 3349 CB GLU B 102 2.959 18.121 -3.906 1.00 6.92 C ATOM 3350 CG GLU B 102 2.402 19.522 -4.084 1.00 7.00 C ATOM 3351 CD GLU B 102 0.957 19.626 -3.649 1.00 7.52 C ATOM 3352 OE1 GLU B 102 0.082 19.043 -4.323 1.00 7.71 O ATOM 3353 OE2 GLU B 102 0.686 20.296 -2.633 1.00 7.71 O ATOM 0 H GLU B 102 1.028 17.988 -5.509 1.00 6.62 H new ATOM 0 HA GLU B 102 3.877 17.535 -5.750 1.00 6.76 H new ATOM 0 HB2 GLU B 102 2.367 17.598 -3.154 1.00 6.92 H new ATOM 0 HB3 GLU B 102 3.976 18.192 -3.519 1.00 6.92 H new ATOM 0 HG2 GLU B 102 3.004 20.225 -3.508 1.00 7.00 H new ATOM 0 HG3 GLU B 102 2.486 19.813 -5.131 1.00 7.00 H new ATOM 3360 N ILE B 103 4.103 15.319 -4.367 1.00 6.89 N ATOM 3361 CA ILE B 103 4.218 13.920 -3.996 1.00 6.86 C ATOM 3362 C ILE B 103 4.159 13.769 -2.484 1.00 6.92 C ATOM 3363 O ILE B 103 5.000 14.319 -1.765 1.00 6.97 O ATOM 3364 CB ILE B 103 5.529 13.299 -4.526 1.00 7.13 C ATOM 3365 CG1 ILE B 103 5.623 13.481 -6.044 1.00 7.47 C ATOM 3366 CG2 ILE B 103 5.612 11.821 -4.156 1.00 6.71 C ATOM 3367 CD1 ILE B 103 6.959 13.077 -6.628 1.00 8.04 C ATOM 0 H ILE B 103 4.952 15.867 -4.225 1.00 6.89 H new ATOM 0 HA ILE B 103 3.380 13.390 -4.449 1.00 6.86 H new ATOM 0 HB ILE B 103 6.370 13.813 -4.061 1.00 7.13 H new ATOM 0 HG12 ILE B 103 4.837 12.894 -6.520 1.00 7.47 H new ATOM 0 HG13 ILE B 103 5.432 14.526 -6.287 1.00 7.47 H new ATOM 0 HG21 ILE B 103 6.543 11.402 -4.538 1.00 6.71 H new ATOM 0 HG22 ILE B 103 5.585 11.715 -3.071 1.00 6.71 H new ATOM 0 HG23 ILE B 103 4.768 11.288 -4.593 1.00 6.71 H new ATOM 0 HD11 ILE B 103 6.947 13.235 -7.706 1.00 8.04 H new ATOM 0 HD12 ILE B 103 7.749 13.681 -6.181 1.00 8.04 H new ATOM 0 HD13 ILE B 103 7.145 12.024 -6.417 1.00 8.04 H new ATOM 3379 N GLU B 104 3.153 13.043 -2.004 1.00 7.07 N ATOM 3380 CA GLU B 104 2.990 12.815 -0.573 1.00 7.39 C ATOM 3381 C GLU B 104 4.144 11.972 -0.051 1.00 7.24 C ATOM 3382 O GLU B 104 4.944 12.427 0.765 1.00 7.56 O ATOM 3383 CB GLU B 104 1.671 12.097 -0.278 1.00 7.11 C ATOM 3384 CG GLU B 104 0.432 12.862 -0.701 1.00 7.06 C ATOM 3385 CD GLU B 104 -0.834 12.060 -0.483 1.00 8.47 C ATOM 3386 OE1 GLU B 104 -1.081 11.121 -1.261 1.00 8.81 O ATOM 3387 OE2 GLU B 104 -1.586 12.359 0.474 1.00 8.35 O ATOM 0 H GLU B 104 2.439 12.603 -2.585 1.00 7.07 H new ATOM 0 HA GLU B 104 2.981 13.784 -0.075 1.00 7.39 H new ATOM 0 HB2 GLU B 104 1.677 11.131 -0.783 1.00 7.11 H new ATOM 0 HB3 GLU B 104 1.612 11.897 0.792 1.00 7.11 H new ATOM 0 HG2 GLU B 104 0.372 13.794 -0.138 1.00 7.06 H new ATOM 0 HG3 GLU B 104 0.514 13.130 -1.754 1.00 7.06 H new ATOM 3394 N TYR B 105 4.217 10.743 -0.541 1.00 6.81 N ATOM 3395 CA TYR B 105 5.261 9.811 -0.152 1.00 6.65 C ATOM 3396 C TYR B 105 5.420 8.744 -1.224 1.00 5.83 C ATOM 3397 O TYR B 105 4.626 8.678 -2.167 1.00 5.31 O ATOM 3398 CB TYR B 105 4.943 9.161 1.204 1.00 7.23 C ATOM 3399 CG TYR B 105 3.486 8.782 1.384 1.00 7.06 C ATOM 3400 CD1 TYR B 105 2.969 7.622 0.818 1.00 6.65 C ATOM 3401 CD2 TYR B 105 2.629 9.590 2.120 1.00 7.40 C ATOM 3402 CE1 TYR B 105 1.640 7.282 0.981 1.00 6.52 C ATOM 3403 CE2 TYR B 105 1.301 9.255 2.287 1.00 7.32 C ATOM 3404 CZ TYR B 105 0.811 8.100 1.715 1.00 6.94 C ATOM 3405 OH TYR B 105 -0.513 7.763 1.882 1.00 6.84 O ATOM 0 H TYR B 105 3.554 10.366 -1.218 1.00 6.81 H new ATOM 0 HA TYR B 105 6.196 10.361 -0.049 1.00 6.65 H new ATOM 0 HB2 TYR B 105 5.556 8.267 1.319 1.00 7.23 H new ATOM 0 HB3 TYR B 105 5.229 9.848 2.000 1.00 7.23 H new ATOM 0 HD1 TYR B 105 3.616 6.977 0.242 1.00 6.65 H new ATOM 0 HD2 TYR B 105 3.009 10.496 2.569 1.00 7.40 H new ATOM 0 HE1 TYR B 105 1.253 6.378 0.534 1.00 6.52 H new ATOM 0 HE2 TYR B 105 0.648 9.894 2.863 1.00 7.32 H new ATOM 0 HH TYR B 105 -0.958 8.446 2.426 1.00 6.84 H new ATOM 3415 N ILE B 106 6.438 7.915 -1.081 1.00 5.84 N ATOM 3416 CA ILE B 106 6.694 6.858 -2.039 1.00 5.13 C ATOM 3417 C ILE B 106 6.234 5.519 -1.476 1.00 4.98 C ATOM 3418 O ILE B 106 6.787 5.025 -0.489 1.00 5.41 O ATOM 3419 CB ILE B 106 8.189 6.778 -2.410 1.00 5.45 C ATOM 3420 CG1 ILE B 106 8.698 8.145 -2.878 1.00 6.30 C ATOM 3421 CG2 ILE B 106 8.408 5.726 -3.490 1.00 4.84 C ATOM 3422 CD1 ILE B 106 10.194 8.192 -3.109 1.00 6.78 C ATOM 0 H ILE B 106 7.102 7.955 -0.308 1.00 5.84 H new ATOM 0 HA ILE B 106 6.132 7.089 -2.944 1.00 5.13 H new ATOM 0 HB ILE B 106 8.754 6.488 -1.524 1.00 5.45 H new ATOM 0 HG12 ILE B 106 8.188 8.415 -3.803 1.00 6.30 H new ATOM 0 HG13 ILE B 106 8.430 8.896 -2.135 1.00 6.30 H new ATOM 0 HG21 ILE B 106 9.467 5.679 -3.743 1.00 4.84 H new ATOM 0 HG22 ILE B 106 8.079 4.754 -3.123 1.00 4.84 H new ATOM 0 HG23 ILE B 106 7.834 5.991 -4.378 1.00 4.84 H new ATOM 0 HD11 ILE B 106 10.480 9.191 -3.439 1.00 6.78 H new ATOM 0 HD12 ILE B 106 10.713 7.954 -2.181 1.00 6.78 H new ATOM 0 HD13 ILE B 106 10.467 7.465 -3.874 1.00 6.78 H new ATOM 3434 N ILE B 107 5.207 4.952 -2.092 1.00 4.66 N ATOM 3435 CA ILE B 107 4.668 3.670 -1.671 1.00 4.86 C ATOM 3436 C ILE B 107 5.403 2.554 -2.393 1.00 4.29 C ATOM 3437 O ILE B 107 5.203 2.339 -3.583 1.00 3.98 O ATOM 3438 CB ILE B 107 3.161 3.562 -1.978 1.00 5.29 C ATOM 3439 CG1 ILE B 107 2.446 4.862 -1.610 1.00 6.01 C ATOM 3440 CG2 ILE B 107 2.553 2.386 -1.230 1.00 5.80 C ATOM 3441 CD1 ILE B 107 0.996 4.898 -2.039 1.00 6.31 C ATOM 0 H ILE B 107 4.728 5.365 -2.892 1.00 4.66 H new ATOM 0 HA ILE B 107 4.805 3.583 -0.593 1.00 4.86 H new ATOM 0 HB ILE B 107 3.035 3.393 -3.047 1.00 5.29 H new ATOM 0 HG12 ILE B 107 2.500 5.004 -0.531 1.00 6.01 H new ATOM 0 HG13 ILE B 107 2.973 5.699 -2.068 1.00 6.01 H new ATOM 0 HG21 ILE B 107 1.489 2.322 -1.456 1.00 5.80 H new ATOM 0 HG22 ILE B 107 3.046 1.464 -1.539 1.00 5.80 H new ATOM 0 HG23 ILE B 107 2.688 2.528 -0.158 1.00 5.80 H new ATOM 0 HD11 ILE B 107 0.553 5.850 -1.745 1.00 6.31 H new ATOM 0 HD12 ILE B 107 0.934 4.788 -3.122 1.00 6.31 H new ATOM 0 HD13 ILE B 107 0.454 4.082 -1.560 1.00 6.31 H new ATOM 3453 N CYS B 108 6.271 1.865 -1.681 1.00 4.36 N ATOM 3454 CA CYS B 108 7.050 0.795 -2.274 1.00 4.09 C ATOM 3455 C CYS B 108 6.466 -0.580 -1.978 1.00 4.49 C ATOM 3456 O CYS B 108 6.559 -1.078 -0.852 1.00 5.31 O ATOM 3457 CB CYS B 108 8.488 0.867 -1.772 1.00 3.74 C ATOM 3458 SG CYS B 108 9.378 2.343 -2.313 1.00 3.04 S ATOM 0 H CYS B 108 6.456 2.026 -0.691 1.00 4.36 H new ATOM 0 HA CYS B 108 7.024 0.932 -3.355 1.00 4.09 H new ATOM 0 HB2 CYS B 108 8.484 0.836 -0.682 1.00 3.74 H new ATOM 0 HB3 CYS B 108 9.027 -0.016 -2.114 1.00 3.74 H new ATOM 0 HG CYS B 108 9.935 2.915 -1.287 1.00 3.04 H new ATOM 3464 N THR B 109 5.854 -1.176 -2.991 1.00 4.08 N ATOM 3465 CA THR B 109 5.293 -2.511 -2.881 1.00 4.65 C ATOM 3466 C THR B 109 6.424 -3.530 -3.025 1.00 5.11 C ATOM 3467 O THR B 109 6.701 -4.030 -4.122 1.00 5.24 O ATOM 3468 CB THR B 109 4.223 -2.759 -3.965 1.00 5.03 C ATOM 3469 OG1 THR B 109 3.428 -1.577 -4.144 1.00 4.85 O ATOM 3470 CG2 THR B 109 3.324 -3.929 -3.589 1.00 5.48 C ATOM 0 H THR B 109 5.733 -0.748 -3.909 1.00 4.08 H new ATOM 0 HA THR B 109 4.811 -2.614 -1.909 1.00 4.65 H new ATOM 0 HB THR B 109 4.733 -3.003 -4.897 1.00 5.03 H new ATOM 0 HG1 THR B 109 2.736 -1.540 -3.451 1.00 4.85 H new ATOM 0 HG21 THR B 109 2.579 -4.081 -4.370 1.00 5.48 H new ATOM 0 HG22 THR B 109 3.927 -4.831 -3.481 1.00 5.48 H new ATOM 0 HG23 THR B 109 2.822 -3.713 -2.646 1.00 5.48 H new ATOM 3478 N ASN B 110 7.097 -3.797 -1.916 1.00 5.49 N ATOM 3479 CA ASN B 110 8.226 -4.716 -1.889 1.00 6.04 C ATOM 3480 C ASN B 110 7.783 -6.156 -2.065 1.00 6.71 C ATOM 3481 O ASN B 110 6.975 -6.660 -1.292 1.00 6.90 O ATOM 3482 CB ASN B 110 8.989 -4.575 -0.570 1.00 6.01 C ATOM 3483 CG ASN B 110 9.939 -3.395 -0.566 1.00 6.09 C ATOM 3484 OD1 ASN B 110 9.739 -2.415 -1.282 1.00 6.05 O ATOM 3485 ND2 ASN B 110 10.982 -3.478 0.244 1.00 6.27 N ATOM 0 H ASN B 110 6.877 -3.383 -1.010 1.00 5.49 H new ATOM 0 HA ASN B 110 8.878 -4.457 -2.723 1.00 6.04 H new ATOM 0 HB2 ASN B 110 8.276 -4.465 0.247 1.00 6.01 H new ATOM 0 HB3 ASN B 110 9.551 -5.489 -0.381 1.00 6.01 H new ATOM 0 HD21 ASN B 110 11.654 -2.712 0.290 1.00 6.27 H new ATOM 0 HD22 ASN B 110 11.114 -4.308 0.823 1.00 6.27 H new ATOM 3492 N THR B 111 8.305 -6.807 -3.093 1.00 7.16 N ATOM 3493 CA THR B 111 7.986 -8.197 -3.370 1.00 7.90 C ATOM 3494 C THR B 111 9.268 -9.023 -3.456 1.00 8.33 C ATOM 3495 O THR B 111 10.107 -8.782 -4.324 1.00 8.01 O ATOM 3496 CB THR B 111 7.208 -8.330 -4.692 1.00 8.30 C ATOM 3497 OG1 THR B 111 6.534 -7.099 -4.990 1.00 8.18 O ATOM 3498 CG2 THR B 111 6.193 -9.455 -4.614 1.00 8.61 C ATOM 0 H THR B 111 8.958 -6.388 -3.755 1.00 7.16 H new ATOM 0 HA THR B 111 7.364 -8.568 -2.556 1.00 7.90 H new ATOM 0 HB THR B 111 7.922 -8.559 -5.483 1.00 8.30 H new ATOM 0 HG1 THR B 111 5.567 -7.222 -4.887 1.00 8.18 H new ATOM 0 HG21 THR B 111 5.657 -9.528 -5.560 1.00 8.61 H new ATOM 0 HG22 THR B 111 6.707 -10.395 -4.415 1.00 8.61 H new ATOM 0 HG23 THR B 111 5.485 -9.251 -3.811 1.00 8.61 H new ATOM 3506 N ASN B 112 9.434 -9.979 -2.550 1.00 9.14 N ATOM 3507 CA ASN B 112 10.630 -10.819 -2.553 1.00 9.70 C ATOM 3508 C ASN B 112 10.647 -11.734 -3.769 1.00 10.21 C ATOM 3509 O ASN B 112 9.631 -12.328 -4.133 1.00 10.32 O ATOM 3510 CB ASN B 112 10.722 -11.650 -1.267 1.00 10.52 C ATOM 3511 CG ASN B 112 11.682 -12.828 -1.391 1.00 11.13 C ATOM 3512 OD1 ASN B 112 11.261 -13.971 -1.566 1.00 11.84 O ATOM 3513 ND2 ASN B 112 12.975 -12.556 -1.305 1.00 10.90 N ATOM 0 H ASN B 112 8.765 -10.192 -1.810 1.00 9.14 H new ATOM 0 HA ASN B 112 11.497 -10.160 -2.601 1.00 9.70 H new ATOM 0 HB2 ASN B 112 11.046 -11.008 -0.448 1.00 10.52 H new ATOM 0 HB3 ASN B 112 9.730 -12.021 -1.008 1.00 10.52 H new ATOM 0 HD21 ASN B 112 13.661 -13.307 -1.384 1.00 10.90 H new ATOM 0 HD22 ASN B 112 13.285 -11.595 -1.160 1.00 10.90 H new ATOM 3520 N VAL B 113 11.804 -11.819 -4.407 1.00 10.57 N ATOM 3521 CA VAL B 113 11.974 -12.659 -5.581 1.00 11.22 C ATOM 3522 C VAL B 113 12.845 -13.861 -5.237 1.00 11.42 C ATOM 3523 O VAL B 113 12.489 -15.007 -5.517 1.00 11.44 O ATOM 3524 CB VAL B 113 12.622 -11.888 -6.752 1.00 11.03 C ATOM 3525 CG1 VAL B 113 12.257 -12.529 -8.081 1.00 11.77 C ATOM 3526 CG2 VAL B 113 12.215 -10.422 -6.735 1.00 10.85 C ATOM 0 H VAL B 113 12.644 -11.312 -4.128 1.00 10.57 H new ATOM 0 HA VAL B 113 10.982 -12.986 -5.893 1.00 11.22 H new ATOM 0 HB VAL B 113 13.704 -11.938 -6.629 1.00 11.03 H new ATOM 0 HG11 VAL B 113 12.723 -11.972 -8.894 1.00 11.77 H new ATOM 0 HG12 VAL B 113 12.612 -13.560 -8.098 1.00 11.77 H new ATOM 0 HG13 VAL B 113 11.174 -12.516 -8.206 1.00 11.77 H new ATOM 0 HG21 VAL B 113 12.686 -9.904 -7.570 1.00 10.85 H new ATOM 0 HG22 VAL B 113 11.131 -10.344 -6.824 1.00 10.85 H new ATOM 0 HG23 VAL B 113 12.536 -9.966 -5.798 1.00 10.85 H new ATOM 3536 N LYS B 114 13.985 -13.588 -4.619 1.00 11.62 N ATOM 3537 CA LYS B 114 14.918 -14.627 -4.219 1.00 11.92 C ATOM 3538 C LYS B 114 15.510 -14.293 -2.855 1.00 12.21 C ATOM 3539 O LYS B 114 14.881 -14.629 -1.833 1.00 12.68 O ATOM 3540 CB LYS B 114 16.042 -14.772 -5.248 1.00 12.06 C ATOM 3541 CG LYS B 114 15.645 -15.528 -6.505 1.00 11.92 C ATOM 3542 CD LYS B 114 16.836 -15.708 -7.427 1.00 12.03 C ATOM 3543 CE LYS B 114 16.461 -16.463 -8.692 1.00 11.97 C ATOM 3544 NZ LYS B 114 17.647 -16.757 -9.534 1.00 12.15 N ATOM 0 H LYS B 114 14.287 -12.643 -4.382 1.00 11.62 H new ATOM 0 HA LYS B 114 14.378 -15.572 -4.160 1.00 11.92 H new ATOM 0 HB2 LYS B 114 16.391 -13.779 -5.530 1.00 12.06 H new ATOM 0 HB3 LYS B 114 16.883 -15.284 -4.780 1.00 12.06 H new ATOM 0 HG2 LYS B 114 15.238 -16.503 -6.235 1.00 11.92 H new ATOM 0 HG3 LYS B 114 14.855 -14.986 -7.026 1.00 11.92 H new ATOM 0 HD2 LYS B 114 17.241 -14.731 -7.693 1.00 12.03 H new ATOM 0 HD3 LYS B 114 17.624 -16.247 -6.902 1.00 12.03 H new ATOM 0 HE2 LYS B 114 15.966 -17.396 -8.424 1.00 11.97 H new ATOM 0 HE3 LYS B 114 15.745 -15.875 -9.266 1.00 11.97 H new ATOM 0 HZ1 LYS B 114 17.348 -17.272 -10.386 1.00 12.15 H new ATOM 0 HZ2 LYS B 114 18.106 -15.866 -9.811 1.00 12.15 H new ATOM 0 HZ3 LYS B 114 18.320 -17.339 -8.995 1.00 12.15 H new TER 3558 LYS B 114