USER MOD reduce.3.24.130724 H: found=0, std=0, add=1522, rem=0, adj=66 USER MOD reduce.3.24.130724 removed 1514 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 66 MET CE :methyl -125:sc= -5.05 (180deg=-9.59!) USER MOD Set 1.2: B 67 THR OG1 : rot 179:sc= -0.982 USER MOD Set 2.1: B 62 THR OG1 : rot -160:sc= -0.134 USER MOD Set 2.2: B 76 GLN : amide:sc= -3.18! K(o=-3.3!,f=-1.8) USER MOD Set 3.1: B 15 SER OG : rot -170:sc= 0 USER MOD Set 3.2: B 61 TYR OH : rot 180:sc= -0.022 USER MOD Set 4.1: B 51 ASN : amide:sc= -0.467 K(o=-2.6,f=-7!) USER MOD Set 4.2: B 54 GLN : amide:sc= -2.12 K(o=-2.6,f=-1.5) USER MOD Set 5.1: A 49 MET CE :methyl -148:sc= -2.61 (180deg=-5.19!) USER MOD Set 5.2: B 49 MET CE :methyl -146:sc= -2.82! (180deg=-5.09!) USER MOD Set 6.1: B 19 SER OG : rot 180:sc= -0.731 USER MOD Set 6.2: B 21 GLN : amide:sc= 0 K(o=-0.73,f=-3.8!) USER MOD Set 7.1: A 66 MET CE :methyl -114:sc= -3.99 (180deg=-9.37!) USER MOD Set 7.2: A 67 THR OG1 : rot 180:sc= -0.827 USER MOD Set 8.1: A 15 SER OG : rot -86:sc= 1.21 USER MOD Set 8.2: A 60 LYS NZ :NH3+ 161:sc= 0.386 (180deg=0) USER MOD Set 8.3: A 61 TYR OH : rot 176:sc= -0.196 USER MOD Set 9.1: A 51 ASN : amide:sc= -0.144 K(o=-1.7,f=-4.9) USER MOD Set 9.2: A 54 GLN : amide:sc= -1.57 X(o=-1.7,f=-1.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.66) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 6 SER OG : rot 122:sc= 1.23 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -150:sc= -5.36! (180deg=-6.02!) USER MOD Single : A 14 LYS NZ :NH3+ -142:sc= -0.483 (180deg=-1.89) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 22 GLN : amide:sc= -0.0907 K(o=-0.091,f=-1.2) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -70:sc= -0.733 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 170:sc= 0 USER MOD Single : A 46 THR OG1 : rot 65:sc= 0.863 USER MOD Single : A 50 MET CE :methyl 165:sc= -1.93! (180deg=-2.25) USER MOD Single : A 55 THR OG1 : rot -92:sc= 0.511 USER MOD Single : A 57 GLN : amide:sc= -0.271 K(o=-0.27,f=-3.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -68:sc= 0.166 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 110:sc= -0.141 USER MOD Single : A 76 GLN : amide:sc= -1.97 K(o=-2,f=-6.1!) USER MOD Single : A 83 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.0052) USER MOD Single : A 87 ASN : amide:sc= 0.0138 K(o=0.014,f=-2.1) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -160:sc= -0.139 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-0.86) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.048) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0962 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -167:sc= -0.0114 (180deg=-0.258) USER MOD Single : B 2 SER OG : rot 177:sc= -0.204 USER MOD Single : B 3 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.09 USER MOD Single : B 6 SER OG : rot 93:sc= 0.67 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -156:sc= -1.07 (180deg=-1.74) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.58) USER MOD Single : B 27 THR OG1 : rot -66:sc= -0.137 USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0277 USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : B 46 THR OG1 : rot 81:sc= 1.06 USER MOD Single : B 50 MET CE :methyl 162:sc= -2.23! (180deg=-2.5!) USER MOD Single : B 55 THR OG1 : rot -85:sc= 0.457 USER MOD Single : B 57 GLN : amide:sc= -2.71 K(o=-2.7,f=-3.7!) USER MOD Single : B 59 THR OG1 : rot 6:sc= 0.241 USER MOD Single : B 60 LYS NZ :NH3+ -128:sc= 0.502 (180deg=-0.882) USER MOD Single : B 68 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.61) USER MOD Single : B 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 SER OG : rot -150:sc= 0 USER MOD Single : B 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 86 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD Single : B 87 ASN : amide:sc= -0.0142 K(o=-0.014,f=-2.4) USER MOD Single : B 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 90 THR OG1 : rot 51:sc= 0.318 USER MOD Single : B 91 SER OG : rot 180:sc= -0.599 USER MOD Single : B 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 94 SER OG : rot 145:sc= 0.758 USER MOD Single : B 96 GLN : amide:sc= -0.0939 X(o=-0.094,f=0) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 THR OG1 : rot 180:sc= 0.0204 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.751 -1.551 -5.409 1.00 52.20 N ATOM 2 CA MET A 1 -0.275 -0.624 -6.429 1.00 50.55 C ATOM 3 C MET A 1 0.386 0.593 -5.792 1.00 74.40 C ATOM 4 O MET A 1 -0.292 1.481 -5.276 1.00 64.45 O ATOM 5 CB MET A 1 -1.433 -0.180 -7.325 1.00 3.44 C ATOM 6 CG MET A 1 -1.452 -0.866 -8.680 1.00 12.32 C ATOM 7 SD MET A 1 -0.606 0.091 -9.954 1.00 41.14 S ATOM 8 CE MET A 1 0.368 -1.187 -10.746 1.00 21.33 C ATOM 0 H1 MET A 1 -1.197 -2.371 -5.867 1.00 52.20 H new ATOM 0 H2 MET A 1 0.051 -1.871 -4.830 1.00 52.20 H new ATOM 0 H3 MET A 1 -1.447 -1.072 -4.802 1.00 52.20 H new ATOM 0 HA MET A 1 0.467 -1.141 -7.037 1.00 50.55 H new ATOM 0 HB2 MET A 1 -2.374 -0.379 -6.813 1.00 3.44 H new ATOM 0 HB3 MET A 1 -1.373 0.898 -7.474 1.00 3.44 H new ATOM 0 HG2 MET A 1 -0.981 -1.845 -8.594 1.00 12.32 H new ATOM 0 HG3 MET A 1 -2.485 -1.034 -8.983 1.00 12.32 H new ATOM 0 HE1 MET A 1 0.949 -0.751 -11.558 1.00 21.33 H new ATOM 0 HE2 MET A 1 1.043 -1.635 -10.017 1.00 21.33 H new ATOM 0 HE3 MET A 1 -0.295 -1.955 -11.146 1.00 21.33 H new ATOM 18 N SER A 2 1.714 0.628 -5.830 1.00 63.31 N ATOM 19 CA SER A 2 2.468 1.735 -5.253 1.00 1.32 C ATOM 20 C SER A 2 2.060 3.060 -5.890 1.00 12.31 C ATOM 21 O SER A 2 1.330 3.087 -6.880 1.00 62.31 O ATOM 22 CB SER A 2 3.969 1.508 -5.437 1.00 41.23 C ATOM 23 OG SER A 2 4.502 0.736 -4.376 1.00 50.11 O ATOM 0 H SER A 2 2.291 -0.098 -6.255 1.00 63.31 H new ATOM 0 HA SER A 2 2.243 1.780 -4.187 1.00 1.32 H new ATOM 0 HB2 SER A 2 4.150 1.002 -6.385 1.00 41.23 H new ATOM 0 HB3 SER A 2 4.482 2.469 -5.485 1.00 41.23 H new ATOM 0 HG SER A 2 5.463 0.604 -4.518 1.00 50.11 H new ATOM 29 N ASN A 3 2.537 4.158 -5.313 1.00 52.21 N ATOM 30 CA ASN A 3 2.223 5.488 -5.822 1.00 14.51 C ATOM 31 C ASN A 3 3.482 6.344 -5.923 1.00 2.30 C ATOM 32 O ASN A 3 3.755 7.171 -5.052 1.00 44.20 O ATOM 33 CB ASN A 3 1.197 6.174 -4.919 1.00 31.41 C ATOM 34 CG ASN A 3 0.026 5.270 -4.583 1.00 63.51 C ATOM 35 OD1 ASN A 3 -0.302 5.067 -3.414 1.00 34.44 O ATOM 36 ND2 ASN A 3 -0.612 4.723 -5.612 1.00 13.33 N ATOM 0 H ASN A 3 3.143 4.153 -4.492 1.00 52.21 H new ATOM 0 HA ASN A 3 1.800 5.376 -6.821 1.00 14.51 H new ATOM 0 HB2 ASN A 3 1.684 6.492 -3.997 1.00 31.41 H new ATOM 0 HB3 ASN A 3 0.828 7.074 -5.411 1.00 31.41 H new ATOM 0 HD21 ASN A 3 -1.408 4.107 -5.449 1.00 13.33 H new ATOM 0 HD22 ASN A 3 -0.305 4.919 -6.565 1.00 13.33 H new ATOM 43 N THR A 4 4.246 6.139 -6.991 1.00 55.11 N ATOM 44 CA THR A 4 5.477 6.891 -7.206 1.00 61.02 C ATOM 45 C THR A 4 5.197 8.387 -7.299 1.00 34.12 C ATOM 46 O THR A 4 4.079 8.836 -7.048 1.00 24.32 O ATOM 47 CB THR A 4 6.198 6.435 -8.487 1.00 65.03 C ATOM 48 OG1 THR A 4 7.571 6.838 -8.447 1.00 41.45 O ATOM 49 CG2 THR A 4 5.529 7.017 -9.722 1.00 24.23 C ATOM 0 H THR A 4 4.034 5.459 -7.721 1.00 55.11 H new ATOM 0 HA THR A 4 6.120 6.696 -6.348 1.00 61.02 H new ATOM 0 HB THR A 4 6.141 5.348 -8.541 1.00 65.03 H new ATOM 0 HG1 THR A 4 8.023 6.542 -9.265 1.00 41.45 H new ATOM 0 HG21 THR A 4 6.057 6.680 -10.614 1.00 24.23 H new ATOM 0 HG22 THR A 4 4.492 6.683 -9.766 1.00 24.23 H new ATOM 0 HG23 THR A 4 5.558 8.105 -9.673 1.00 24.23 H new ATOM 57 N ILE A 5 6.221 9.153 -7.662 1.00 21.33 N ATOM 58 CA ILE A 5 6.083 10.599 -7.791 1.00 1.35 C ATOM 59 C ILE A 5 4.944 10.961 -8.737 1.00 62.20 C ATOM 60 O ILE A 5 4.018 11.681 -8.364 1.00 53.40 O ATOM 61 CB ILE A 5 7.385 11.244 -8.302 1.00 73.54 C ATOM 62 CG1 ILE A 5 8.572 10.799 -7.445 1.00 25.20 C ATOM 63 CG2 ILE A 5 7.261 12.760 -8.297 1.00 34.15 C ATOM 64 CD1 ILE A 5 9.884 11.429 -7.855 1.00 64.05 C ATOM 0 H ILE A 5 7.154 8.797 -7.872 1.00 21.33 H new ATOM 0 HA ILE A 5 5.861 10.985 -6.796 1.00 1.35 H new ATOM 0 HB ILE A 5 7.558 10.915 -9.327 1.00 73.54 H new ATOM 0 HG12 ILE A 5 8.370 11.046 -6.403 1.00 25.20 H new ATOM 0 HG13 ILE A 5 8.665 9.715 -7.503 1.00 25.20 H new ATOM 0 HG21 ILE A 5 8.189 13.202 -8.661 1.00 34.15 H new ATOM 0 HG22 ILE A 5 6.438 13.060 -8.945 1.00 34.15 H new ATOM 0 HG23 ILE A 5 7.068 13.106 -7.282 1.00 34.15 H new ATOM 0 HD11 ILE A 5 10.680 11.068 -7.204 1.00 64.05 H new ATOM 0 HD12 ILE A 5 10.109 11.161 -8.887 1.00 64.05 H new ATOM 0 HD13 ILE A 5 9.809 12.513 -7.770 1.00 64.05 H new ATOM 76 N SER A 6 5.018 10.455 -9.965 1.00 63.44 N ATOM 77 CA SER A 6 3.993 10.728 -10.966 1.00 34.41 C ATOM 78 C SER A 6 2.605 10.387 -10.430 1.00 2.22 C ATOM 79 O SER A 6 1.616 11.022 -10.794 1.00 53.23 O ATOM 80 CB SER A 6 4.270 9.928 -12.240 1.00 71.40 C ATOM 81 OG SER A 6 3.422 8.795 -12.326 1.00 42.32 O ATOM 0 H SER A 6 5.776 9.855 -10.290 1.00 63.44 H new ATOM 0 HA SER A 6 4.022 11.792 -11.199 1.00 34.41 H new ATOM 0 HB2 SER A 6 4.121 10.564 -13.112 1.00 71.40 H new ATOM 0 HB3 SER A 6 5.312 9.608 -12.253 1.00 71.40 H new ATOM 0 HG SER A 6 2.902 8.838 -13.156 1.00 42.32 H new ATOM 87 N GLU A 7 2.543 9.382 -9.562 1.00 61.11 N ATOM 88 CA GLU A 7 1.277 8.957 -8.976 1.00 23.42 C ATOM 89 C GLU A 7 0.739 10.015 -8.017 1.00 40.04 C ATOM 90 O GLU A 7 -0.472 10.169 -7.859 1.00 33.31 O ATOM 91 CB GLU A 7 1.452 7.627 -8.241 1.00 72.32 C ATOM 92 CG GLU A 7 0.956 6.426 -9.028 1.00 53.22 C ATOM 93 CD GLU A 7 -0.480 6.066 -8.703 1.00 62.25 C ATOM 94 OE1 GLU A 7 -1.325 6.985 -8.658 1.00 50.32 O ATOM 95 OE2 GLU A 7 -0.760 4.867 -8.493 1.00 43.33 O ATOM 0 H GLU A 7 3.354 8.848 -9.249 1.00 61.11 H new ATOM 0 HA GLU A 7 0.557 8.825 -9.784 1.00 23.42 H new ATOM 0 HB2 GLU A 7 2.507 7.487 -8.008 1.00 72.32 H new ATOM 0 HB3 GLU A 7 0.919 7.674 -7.291 1.00 72.32 H new ATOM 0 HG2 GLU A 7 1.041 6.635 -10.094 1.00 53.22 H new ATOM 0 HG3 GLU A 7 1.597 5.570 -8.819 1.00 53.22 H new ATOM 102 N LYS A 8 1.649 10.742 -7.377 1.00 33.13 N ATOM 103 CA LYS A 8 1.268 11.787 -6.434 1.00 4.14 C ATOM 104 C LYS A 8 0.699 12.999 -7.164 1.00 74.14 C ATOM 105 O LYS A 8 0.184 13.927 -6.538 1.00 64.53 O ATOM 106 CB LYS A 8 2.475 12.206 -5.591 1.00 75.53 C ATOM 107 CG LYS A 8 3.372 11.046 -5.195 1.00 22.34 C ATOM 108 CD LYS A 8 4.162 11.357 -3.934 1.00 11.10 C ATOM 109 CE LYS A 8 3.933 10.305 -2.860 1.00 11.21 C ATOM 110 NZ LYS A 8 5.103 9.395 -2.716 1.00 5.33 N ATOM 0 H LYS A 8 2.656 10.627 -7.494 1.00 33.13 H new ATOM 0 HA LYS A 8 0.496 11.385 -5.778 1.00 4.14 H new ATOM 0 HB2 LYS A 8 3.063 12.934 -6.150 1.00 75.53 H new ATOM 0 HB3 LYS A 8 2.122 12.706 -4.689 1.00 75.53 H new ATOM 0 HG2 LYS A 8 2.766 10.154 -5.035 1.00 22.34 H new ATOM 0 HG3 LYS A 8 4.060 10.822 -6.010 1.00 22.34 H new ATOM 0 HD2 LYS A 8 5.224 11.410 -4.173 1.00 11.10 H new ATOM 0 HD3 LYS A 8 3.872 12.336 -3.554 1.00 11.10 H new ATOM 0 HE2 LYS A 8 3.735 10.796 -1.907 1.00 11.21 H new ATOM 0 HE3 LYS A 8 3.047 9.721 -3.107 1.00 11.21 H new ATOM 0 HZ1 LYS A 8 4.907 8.693 -1.974 1.00 5.33 H new ATOM 0 HZ2 LYS A 8 5.276 8.907 -3.618 1.00 5.33 H new ATOM 0 HZ3 LYS A 8 5.944 9.949 -2.455 1.00 5.33 H new ATOM 124 N ILE A 9 0.795 12.985 -8.489 1.00 15.20 N ATOM 125 CA ILE A 9 0.287 14.082 -9.304 1.00 41.10 C ATOM 126 C ILE A 9 -0.910 13.638 -10.139 1.00 71.21 C ATOM 127 O ILE A 9 -1.511 14.439 -10.853 1.00 5.21 O ATOM 128 CB ILE A 9 1.375 14.638 -10.240 1.00 42.44 C ATOM 129 CG1 ILE A 9 2.696 14.800 -9.484 1.00 3.22 C ATOM 130 CG2 ILE A 9 0.934 15.966 -10.836 1.00 73.14 C ATOM 131 CD1 ILE A 9 3.820 15.340 -10.340 1.00 55.24 C ATOM 0 H ILE A 9 1.220 12.226 -9.021 1.00 15.20 H new ATOM 0 HA ILE A 9 -0.025 14.868 -8.617 1.00 41.10 H new ATOM 0 HB ILE A 9 1.528 13.930 -11.054 1.00 42.44 H new ATOM 0 HG12 ILE A 9 2.541 15.469 -8.638 1.00 3.22 H new ATOM 0 HG13 ILE A 9 2.993 13.834 -9.076 1.00 3.22 H new ATOM 0 HG21 ILE A 9 1.714 16.346 -11.495 1.00 73.14 H new ATOM 0 HG22 ILE A 9 0.016 15.822 -11.406 1.00 73.14 H new ATOM 0 HG23 ILE A 9 0.755 16.683 -10.035 1.00 73.14 H new ATOM 0 HD11 ILE A 9 4.725 15.429 -9.739 1.00 55.24 H new ATOM 0 HD12 ILE A 9 4.002 14.660 -11.172 1.00 55.24 H new ATOM 0 HD13 ILE A 9 3.544 16.321 -10.727 1.00 55.24 H new ATOM 143 N VAL A 10 -1.249 12.357 -10.042 1.00 4.30 N ATOM 144 CA VAL A 10 -2.375 11.807 -10.787 1.00 43.34 C ATOM 145 C VAL A 10 -3.623 11.722 -9.914 1.00 34.04 C ATOM 146 O VAL A 10 -4.692 12.202 -10.290 1.00 71.51 O ATOM 147 CB VAL A 10 -2.053 10.406 -11.339 1.00 22.34 C ATOM 148 CG1 VAL A 10 -3.252 9.835 -12.082 1.00 23.30 C ATOM 149 CG2 VAL A 10 -0.831 10.459 -12.244 1.00 51.14 C ATOM 0 H VAL A 10 -0.760 11.681 -9.455 1.00 4.30 H new ATOM 0 HA VAL A 10 -2.563 12.484 -11.621 1.00 43.34 H new ATOM 0 HB VAL A 10 -1.829 9.747 -10.500 1.00 22.34 H new ATOM 0 HG11 VAL A 10 -3.005 8.845 -12.465 1.00 23.30 H new ATOM 0 HG12 VAL A 10 -4.100 9.760 -11.401 1.00 23.30 H new ATOM 0 HG13 VAL A 10 -3.511 10.491 -12.913 1.00 23.30 H new ATOM 0 HG21 VAL A 10 -0.617 9.461 -12.626 1.00 51.14 H new ATOM 0 HG22 VAL A 10 -1.025 11.133 -13.079 1.00 51.14 H new ATOM 0 HG23 VAL A 10 0.026 10.822 -11.677 1.00 51.14 H new ATOM 159 N LEU A 11 -3.478 11.107 -8.744 1.00 33.50 N ATOM 160 CA LEU A 11 -4.593 10.959 -7.816 1.00 22.11 C ATOM 161 C LEU A 11 -5.240 12.309 -7.522 1.00 23.40 C ATOM 162 O LEU A 11 -6.454 12.467 -7.653 1.00 73.14 O ATOM 163 CB LEU A 11 -4.115 10.315 -6.513 1.00 73.11 C ATOM 164 CG LEU A 11 -2.837 10.897 -5.907 1.00 24.02 C ATOM 165 CD1 LEU A 11 -3.171 11.866 -4.784 1.00 11.31 C ATOM 166 CD2 LEU A 11 -1.932 9.783 -5.401 1.00 62.13 C ATOM 0 H LEU A 11 -2.600 10.704 -8.417 1.00 33.50 H new ATOM 0 HA LEU A 11 -5.338 10.314 -8.281 1.00 22.11 H new ATOM 0 HB2 LEU A 11 -4.914 10.398 -5.776 1.00 73.11 H new ATOM 0 HB3 LEU A 11 -3.957 9.252 -6.693 1.00 73.11 H new ATOM 0 HG LEU A 11 -2.306 11.445 -6.685 1.00 24.02 H new ATOM 0 HD11 LEU A 11 -2.249 12.270 -4.365 1.00 11.31 H new ATOM 0 HD12 LEU A 11 -3.779 12.681 -5.176 1.00 11.31 H new ATOM 0 HD13 LEU A 11 -3.725 11.343 -4.005 1.00 11.31 H new ATOM 0 HD21 LEU A 11 -1.027 10.215 -4.973 1.00 62.13 H new ATOM 0 HD22 LEU A 11 -2.455 9.207 -4.638 1.00 62.13 H new ATOM 0 HD23 LEU A 11 -1.664 9.127 -6.229 1.00 62.13 H new ATOM 178 N MET A 12 -4.423 13.278 -7.126 1.00 51.31 N ATOM 179 CA MET A 12 -4.915 14.615 -6.818 1.00 35.35 C ATOM 180 C MET A 12 -5.489 15.284 -8.063 1.00 14.33 C ATOM 181 O MET A 12 -6.516 15.960 -7.998 1.00 15.55 O ATOM 182 CB MET A 12 -3.791 15.475 -6.235 1.00 43.44 C ATOM 183 CG MET A 12 -2.467 15.319 -6.966 1.00 42.04 C ATOM 184 SD MET A 12 -1.304 16.643 -6.581 1.00 23.34 S ATOM 185 CE MET A 12 -0.980 17.295 -8.218 1.00 1.34 C ATOM 0 H MET A 12 -3.416 13.162 -7.011 1.00 51.31 H new ATOM 0 HA MET A 12 -5.710 14.520 -6.079 1.00 35.35 H new ATOM 0 HB2 MET A 12 -4.092 16.522 -6.265 1.00 43.44 H new ATOM 0 HB3 MET A 12 -3.651 15.214 -5.186 1.00 43.44 H new ATOM 0 HG2 MET A 12 -2.021 14.360 -6.702 1.00 42.04 H new ATOM 0 HG3 MET A 12 -2.649 15.301 -8.041 1.00 42.04 H new ATOM 0 HE1 MET A 12 0.031 17.702 -8.254 1.00 1.34 H new ATOM 0 HE2 MET A 12 -1.076 16.496 -8.953 1.00 1.34 H new ATOM 0 HE3 MET A 12 -1.697 18.084 -8.444 1.00 1.34 H new ATOM 195 N ARG A 13 -4.819 15.091 -9.194 1.00 72.22 N ATOM 196 CA ARG A 13 -5.262 15.677 -10.454 1.00 43.34 C ATOM 197 C ARG A 13 -6.709 15.297 -10.751 1.00 25.20 C ATOM 198 O ARG A 13 -7.516 16.140 -11.147 1.00 32.00 O ATOM 199 CB ARG A 13 -4.358 15.219 -11.600 1.00 43.40 C ATOM 200 CG ARG A 13 -4.887 15.585 -12.976 1.00 23.54 C ATOM 201 CD ARG A 13 -3.776 15.600 -14.015 1.00 1.24 C ATOM 202 NE ARG A 13 -3.727 14.357 -14.781 1.00 13.15 N ATOM 203 CZ ARG A 13 -4.667 13.989 -15.645 1.00 62.43 C ATOM 204 NH1 ARG A 13 -5.722 14.764 -15.852 1.00 34.04 N ATOM 205 NH2 ARG A 13 -4.552 12.843 -16.304 1.00 3.12 N ATOM 0 H ARG A 13 -3.968 14.534 -9.264 1.00 72.22 H new ATOM 0 HA ARG A 13 -5.200 16.761 -10.363 1.00 43.34 H new ATOM 0 HB2 ARG A 13 -3.370 15.661 -11.471 1.00 43.40 H new ATOM 0 HB3 ARG A 13 -4.234 14.138 -11.544 1.00 43.40 H new ATOM 0 HG2 ARG A 13 -5.655 14.871 -13.273 1.00 23.54 H new ATOM 0 HG3 ARG A 13 -5.362 16.565 -12.935 1.00 23.54 H new ATOM 0 HD2 ARG A 13 -3.926 16.439 -14.694 1.00 1.24 H new ATOM 0 HD3 ARG A 13 -2.818 15.759 -13.519 1.00 1.24 H new ATOM 0 HE ARG A 13 -2.928 13.738 -14.645 1.00 13.15 H new ATOM 0 HH11 ARG A 13 -5.814 15.646 -15.347 1.00 34.04 H new ATOM 0 HH12 ARG A 13 -6.442 14.479 -16.516 1.00 34.04 H new ATOM 0 HH21 ARG A 13 -3.742 12.244 -16.147 1.00 3.12 H new ATOM 0 HH22 ARG A 13 -5.274 12.561 -16.967 1.00 3.12 H new ATOM 219 N LYS A 14 -7.033 14.022 -10.557 1.00 43.14 N ATOM 220 CA LYS A 14 -8.383 13.530 -10.803 1.00 24.33 C ATOM 221 C LYS A 14 -9.358 14.068 -9.760 1.00 14.43 C ATOM 222 O LYS A 14 -10.566 14.110 -9.989 1.00 20.12 O ATOM 223 CB LYS A 14 -8.400 12.000 -10.791 1.00 73.54 C ATOM 224 CG LYS A 14 -8.611 11.383 -12.163 1.00 21.53 C ATOM 225 CD LYS A 14 -7.472 11.724 -13.109 1.00 2.42 C ATOM 226 CE LYS A 14 -6.212 10.944 -12.768 1.00 1.21 C ATOM 227 NZ LYS A 14 -5.799 10.042 -13.878 1.00 3.32 N ATOM 0 H LYS A 14 -6.378 13.311 -10.230 1.00 43.14 H new ATOM 0 HA LYS A 14 -8.698 13.884 -11.785 1.00 24.33 H new ATOM 0 HB2 LYS A 14 -7.458 11.638 -10.380 1.00 73.54 H new ATOM 0 HB3 LYS A 14 -9.191 11.659 -10.123 1.00 73.54 H new ATOM 0 HG2 LYS A 14 -8.694 10.300 -12.067 1.00 21.53 H new ATOM 0 HG3 LYS A 14 -9.552 11.739 -12.582 1.00 21.53 H new ATOM 0 HD2 LYS A 14 -7.771 11.505 -14.134 1.00 2.42 H new ATOM 0 HD3 LYS A 14 -7.264 12.793 -13.060 1.00 2.42 H new ATOM 0 HE2 LYS A 14 -5.403 11.640 -12.546 1.00 1.21 H new ATOM 0 HE3 LYS A 14 -6.382 10.356 -11.866 1.00 1.21 H new ATOM 0 HZ1 LYS A 14 -5.436 9.150 -13.484 1.00 3.32 H new ATOM 0 HZ2 LYS A 14 -6.618 9.843 -14.487 1.00 3.32 H new ATOM 0 HZ3 LYS A 14 -5.054 10.501 -14.439 1.00 3.32 H new ATOM 241 N SER A 15 -8.823 14.478 -8.614 1.00 0.52 N ATOM 242 CA SER A 15 -9.645 15.011 -7.534 1.00 34.52 C ATOM 243 C SER A 15 -10.284 16.336 -7.941 1.00 4.13 C ATOM 244 O SER A 15 -11.412 16.638 -7.554 1.00 42.32 O ATOM 245 CB SER A 15 -8.804 15.204 -6.271 1.00 23.33 C ATOM 246 OG SER A 15 -8.325 16.533 -6.175 1.00 1.04 O ATOM 0 H SER A 15 -7.824 14.451 -8.410 1.00 0.52 H new ATOM 0 HA SER A 15 -10.438 14.293 -7.327 1.00 34.52 H new ATOM 0 HB2 SER A 15 -9.403 14.966 -5.392 1.00 23.33 H new ATOM 0 HB3 SER A 15 -7.963 14.511 -6.281 1.00 23.33 H new ATOM 0 HG SER A 15 -7.489 16.617 -6.679 1.00 1.04 H new ATOM 252 N GLU A 16 -9.551 17.122 -8.724 1.00 24.43 N ATOM 253 CA GLU A 16 -10.046 18.416 -9.183 1.00 22.34 C ATOM 254 C GLU A 16 -11.028 18.245 -10.338 1.00 32.11 C ATOM 255 O GLU A 16 -11.678 19.200 -10.761 1.00 43.32 O ATOM 256 CB GLU A 16 -8.880 19.307 -9.617 1.00 13.35 C ATOM 257 CG GLU A 16 -9.269 20.761 -9.824 1.00 62.31 C ATOM 258 CD GLU A 16 -9.908 21.374 -8.594 1.00 2.34 C ATOM 259 OE1 GLU A 16 -9.526 20.986 -7.470 1.00 14.23 O ATOM 260 OE2 GLU A 16 -10.792 22.242 -8.755 1.00 72.53 O ATOM 0 H GLU A 16 -8.615 16.887 -9.053 1.00 24.43 H new ATOM 0 HA GLU A 16 -10.569 18.892 -8.353 1.00 22.34 H new ATOM 0 HB2 GLU A 16 -8.093 19.254 -8.864 1.00 13.35 H new ATOM 0 HB3 GLU A 16 -8.461 18.916 -10.544 1.00 13.35 H new ATOM 0 HG2 GLU A 16 -8.383 21.336 -10.093 1.00 62.31 H new ATOM 0 HG3 GLU A 16 -9.962 20.832 -10.663 1.00 62.31 H new ATOM 267 N TYR A 17 -11.129 17.020 -10.844 1.00 34.24 N ATOM 268 CA TYR A 17 -12.030 16.724 -11.951 1.00 3.21 C ATOM 269 C TYR A 17 -11.616 17.484 -13.207 1.00 63.52 C ATOM 270 O TYR A 17 -12.461 18.006 -13.938 1.00 30.34 O ATOM 271 CB TYR A 17 -13.469 17.079 -11.576 1.00 21.42 C ATOM 272 CG TYR A 17 -13.877 16.585 -10.207 1.00 23.24 C ATOM 273 CD1 TYR A 17 -14.114 15.235 -9.976 1.00 54.02 C ATOM 274 CD2 TYR A 17 -14.027 17.467 -9.144 1.00 22.22 C ATOM 275 CE1 TYR A 17 -14.488 14.779 -8.727 1.00 50.43 C ATOM 276 CE2 TYR A 17 -14.399 17.020 -7.891 1.00 21.13 C ATOM 277 CZ TYR A 17 -14.630 15.674 -7.687 1.00 22.22 C ATOM 278 OH TYR A 17 -15.002 15.225 -6.441 1.00 41.24 O ATOM 0 H TYR A 17 -10.598 16.217 -10.505 1.00 34.24 H new ATOM 0 HA TYR A 17 -11.971 15.656 -12.158 1.00 3.21 H new ATOM 0 HB2 TYR A 17 -13.589 18.162 -11.613 1.00 21.42 H new ATOM 0 HB3 TYR A 17 -14.144 16.658 -12.321 1.00 21.42 H new ATOM 0 HD1 TYR A 17 -14.004 14.530 -10.787 1.00 54.02 H new ATOM 0 HD2 TYR A 17 -13.850 18.521 -9.300 1.00 22.22 H new ATOM 0 HE1 TYR A 17 -14.668 13.727 -8.565 1.00 50.43 H new ATOM 0 HE2 TYR A 17 -14.509 17.719 -7.075 1.00 21.13 H new ATOM 0 HH TYR A 17 -15.055 15.983 -5.822 1.00 41.24 H new ATOM 288 N LEU A 18 -10.313 17.543 -13.453 1.00 50.01 N ATOM 289 CA LEU A 18 -9.785 18.240 -14.622 1.00 55.21 C ATOM 290 C LEU A 18 -9.069 17.270 -15.557 1.00 11.42 C ATOM 291 O LEU A 18 -8.793 16.129 -15.189 1.00 23.51 O ATOM 292 CB LEU A 18 -8.827 19.351 -14.189 1.00 71.45 C ATOM 293 CG LEU A 18 -7.521 18.894 -13.536 1.00 20.12 C ATOM 294 CD1 LEU A 18 -6.481 18.569 -14.596 1.00 2.31 C ATOM 295 CD2 LEU A 18 -7.001 19.960 -12.582 1.00 52.43 C ATOM 0 H LEU A 18 -9.601 17.117 -12.859 1.00 50.01 H new ATOM 0 HA LEU A 18 -10.624 18.682 -15.160 1.00 55.21 H new ATOM 0 HB2 LEU A 18 -8.581 19.953 -15.064 1.00 71.45 H new ATOM 0 HB3 LEU A 18 -9.351 20.003 -13.490 1.00 71.45 H new ATOM 0 HG LEU A 18 -7.720 17.989 -12.963 1.00 20.12 H new ATOM 0 HD11 LEU A 18 -5.559 18.246 -14.114 1.00 2.31 H new ATOM 0 HD12 LEU A 18 -6.853 17.771 -15.239 1.00 2.31 H new ATOM 0 HD13 LEU A 18 -6.284 19.457 -15.197 1.00 2.31 H new ATOM 0 HD21 LEU A 18 -6.072 19.618 -12.126 1.00 52.43 H new ATOM 0 HD22 LEU A 18 -6.818 20.883 -13.133 1.00 52.43 H new ATOM 0 HD23 LEU A 18 -7.741 20.143 -11.803 1.00 52.43 H new ATOM 307 N SER A 19 -8.769 17.734 -16.766 1.00 75.14 N ATOM 308 CA SER A 19 -8.086 16.908 -17.754 1.00 42.32 C ATOM 309 C SER A 19 -6.618 17.306 -17.874 1.00 72.22 C ATOM 310 O SER A 19 -6.226 18.403 -17.473 1.00 2.13 O ATOM 311 CB SER A 19 -8.772 17.031 -19.115 1.00 3.34 C ATOM 312 OG SER A 19 -8.376 15.983 -19.983 1.00 61.02 O ATOM 0 H SER A 19 -8.988 18.678 -17.085 1.00 75.14 H new ATOM 0 HA SER A 19 -8.137 15.871 -17.422 1.00 42.32 H new ATOM 0 HB2 SER A 19 -9.854 17.009 -18.984 1.00 3.34 H new ATOM 0 HB3 SER A 19 -8.525 17.993 -19.565 1.00 3.34 H new ATOM 0 HG SER A 19 -8.830 16.084 -20.846 1.00 61.02 H new ATOM 318 N ARG A 20 -5.810 16.406 -18.428 1.00 71.01 N ATOM 319 CA ARG A 20 -4.386 16.663 -18.600 1.00 24.20 C ATOM 320 C ARG A 20 -4.154 17.996 -19.306 1.00 73.30 C ATOM 321 O ARG A 20 -3.143 18.659 -19.081 1.00 23.14 O ATOM 322 CB ARG A 20 -3.736 15.530 -19.397 1.00 14.35 C ATOM 323 CG ARG A 20 -2.229 15.441 -19.210 1.00 64.12 C ATOM 324 CD ARG A 20 -1.700 14.069 -19.599 1.00 52.12 C ATOM 325 NE ARG A 20 -2.329 13.001 -18.826 1.00 31.03 N ATOM 326 CZ ARG A 20 -2.338 11.728 -19.206 1.00 33.21 C ATOM 327 NH1 ARG A 20 -1.756 11.367 -20.340 1.00 13.10 N ATOM 328 NH2 ARG A 20 -2.930 10.813 -18.448 1.00 51.12 N ATOM 0 H ARG A 20 -6.118 15.494 -18.765 1.00 71.01 H new ATOM 0 HA ARG A 20 -3.929 16.713 -17.612 1.00 24.20 H new ATOM 0 HB2 ARG A 20 -4.187 14.583 -19.100 1.00 14.35 H new ATOM 0 HB3 ARG A 20 -3.955 15.670 -20.456 1.00 14.35 H new ATOM 0 HG2 ARG A 20 -1.740 16.205 -19.814 1.00 64.12 H new ATOM 0 HG3 ARG A 20 -1.977 15.648 -18.170 1.00 64.12 H new ATOM 0 HD2 ARG A 20 -1.877 13.900 -20.661 1.00 52.12 H new ATOM 0 HD3 ARG A 20 -0.621 14.040 -19.447 1.00 52.12 H new ATOM 0 HE ARG A 20 -2.786 13.246 -17.947 1.00 31.03 H new ATOM 0 HH11 ARG A 20 -1.299 12.067 -20.924 1.00 13.10 H new ATOM 0 HH12 ARG A 20 -1.765 10.389 -20.629 1.00 13.10 H new ATOM 0 HH21 ARG A 20 -3.378 11.087 -17.574 1.00 51.12 H new ATOM 0 HH22 ARG A 20 -2.937 9.836 -18.740 1.00 51.12 H new ATOM 342 N GLN A 21 -5.098 18.379 -20.159 1.00 33.24 N ATOM 343 CA GLN A 21 -4.995 19.631 -20.899 1.00 62.13 C ATOM 344 C GLN A 21 -5.482 20.804 -20.054 1.00 32.54 C ATOM 345 O GLN A 21 -4.996 21.925 -20.196 1.00 15.25 O ATOM 346 CB GLN A 21 -5.803 19.550 -22.195 1.00 31.45 C ATOM 347 CG GLN A 21 -7.306 19.481 -21.972 1.00 12.41 C ATOM 348 CD GLN A 21 -8.055 18.986 -23.193 1.00 73.14 C ATOM 349 OE1 GLN A 21 -7.665 19.258 -24.328 1.00 3.42 O ATOM 350 NE2 GLN A 21 -9.138 18.252 -22.966 1.00 2.12 N ATOM 0 H GLN A 21 -5.942 17.841 -20.355 1.00 33.24 H new ATOM 0 HA GLN A 21 -3.945 19.794 -21.144 1.00 62.13 H new ATOM 0 HB2 GLN A 21 -5.575 20.420 -22.811 1.00 31.45 H new ATOM 0 HB3 GLN A 21 -5.487 18.671 -22.756 1.00 31.45 H new ATOM 0 HG2 GLN A 21 -7.515 18.821 -21.130 1.00 12.41 H new ATOM 0 HG3 GLN A 21 -7.675 20.470 -21.700 1.00 12.41 H new ATOM 0 HE21 GLN A 21 -9.426 18.050 -22.008 1.00 2.12 H new ATOM 0 HE22 GLN A 21 -9.682 17.890 -23.749 1.00 2.12 H new ATOM 359 N GLN A 22 -6.443 20.535 -19.177 1.00 51.23 N ATOM 360 CA GLN A 22 -6.996 21.570 -18.311 1.00 0.45 C ATOM 361 C GLN A 22 -5.920 22.148 -17.398 1.00 51.31 C ATOM 362 O GLN A 22 -5.852 23.361 -17.193 1.00 43.21 O ATOM 363 CB GLN A 22 -8.142 21.002 -17.471 1.00 11.44 C ATOM 364 CG GLN A 22 -8.798 22.029 -16.563 1.00 2.14 C ATOM 365 CD GLN A 22 -10.304 21.874 -16.496 1.00 62.24 C ATOM 366 OE1 GLN A 22 -10.846 20.821 -16.833 1.00 71.22 O ATOM 367 NE2 GLN A 22 -10.990 22.925 -16.061 1.00 62.52 N ATOM 0 H GLN A 22 -6.855 19.611 -19.047 1.00 51.23 H new ATOM 0 HA GLN A 22 -7.379 22.371 -18.943 1.00 0.45 H new ATOM 0 HB2 GLN A 22 -8.897 20.583 -18.137 1.00 11.44 H new ATOM 0 HB3 GLN A 22 -7.763 20.181 -16.863 1.00 11.44 H new ATOM 0 HG2 GLN A 22 -8.383 21.938 -15.559 1.00 2.14 H new ATOM 0 HG3 GLN A 22 -8.555 23.030 -16.919 1.00 2.14 H new ATOM 0 HE21 GLN A 22 -10.500 23.778 -15.792 1.00 62.52 H new ATOM 0 HE22 GLN A 22 -12.007 22.879 -15.996 1.00 62.52 H new ATOM 376 N LEU A 23 -5.080 21.275 -16.855 1.00 1.25 N ATOM 377 CA LEU A 23 -4.005 21.699 -15.963 1.00 22.42 C ATOM 378 C LEU A 23 -2.819 22.235 -16.758 1.00 63.10 C ATOM 379 O LEU A 23 -2.220 23.246 -16.392 1.00 73.44 O ATOM 380 CB LEU A 23 -3.558 20.533 -15.080 1.00 64.12 C ATOM 381 CG LEU A 23 -2.385 20.814 -14.141 1.00 63.23 C ATOM 382 CD1 LEU A 23 -2.888 21.148 -12.744 1.00 72.12 C ATOM 383 CD2 LEU A 23 -1.439 19.623 -14.098 1.00 24.14 C ATOM 0 H LEU A 23 -5.122 20.269 -17.016 1.00 1.25 H new ATOM 0 HA LEU A 23 -4.386 22.500 -15.329 1.00 22.42 H new ATOM 0 HB2 LEU A 23 -4.409 20.211 -14.480 1.00 64.12 H new ATOM 0 HB3 LEU A 23 -3.289 19.697 -15.725 1.00 64.12 H new ATOM 0 HG LEU A 23 -1.836 21.675 -14.523 1.00 63.23 H new ATOM 0 HD11 LEU A 23 -2.039 21.345 -12.089 1.00 72.12 H new ATOM 0 HD12 LEU A 23 -3.525 22.031 -12.788 1.00 72.12 H new ATOM 0 HD13 LEU A 23 -3.461 20.307 -12.353 1.00 72.12 H new ATOM 0 HD21 LEU A 23 -0.610 19.841 -13.425 1.00 24.14 H new ATOM 0 HD22 LEU A 23 -1.976 18.745 -13.740 1.00 24.14 H new ATOM 0 HD23 LEU A 23 -1.052 19.429 -15.099 1.00 24.14 H new ATOM 395 N ALA A 24 -2.486 21.552 -17.848 1.00 40.14 N ATOM 396 CA ALA A 24 -1.374 21.961 -18.696 1.00 33.11 C ATOM 397 C ALA A 24 -1.534 23.408 -19.150 1.00 23.23 C ATOM 398 O ALA A 24 -0.553 24.080 -19.468 1.00 34.43 O ATOM 399 CB ALA A 24 -1.261 21.037 -19.901 1.00 43.12 C ATOM 0 H ALA A 24 -2.971 20.712 -18.165 1.00 40.14 H new ATOM 0 HA ALA A 24 -0.457 21.890 -18.111 1.00 33.11 H new ATOM 0 HB1 ALA A 24 -0.426 21.354 -20.526 1.00 43.12 H new ATOM 0 HB2 ALA A 24 -1.092 20.015 -19.561 1.00 43.12 H new ATOM 0 HB3 ALA A 24 -2.184 21.079 -20.480 1.00 43.12 H new ATOM 405 N ASP A 25 -2.775 23.880 -19.179 1.00 0.02 N ATOM 406 CA ASP A 25 -3.064 25.248 -19.593 1.00 72.22 C ATOM 407 C ASP A 25 -3.111 26.183 -18.389 1.00 62.10 C ATOM 408 O ASP A 25 -2.937 27.395 -18.523 1.00 11.21 O ATOM 409 CB ASP A 25 -4.391 25.305 -20.352 1.00 75.11 C ATOM 410 CG ASP A 25 -4.195 25.432 -21.851 1.00 52.02 C ATOM 411 OD1 ASP A 25 -3.333 24.714 -22.400 1.00 73.30 O ATOM 412 OD2 ASP A 25 -4.906 26.247 -22.474 1.00 32.35 O ATOM 0 H ASP A 25 -3.598 23.335 -18.921 1.00 0.02 H new ATOM 0 HA ASP A 25 -2.262 25.578 -20.254 1.00 72.22 H new ATOM 0 HB2 ASP A 25 -4.967 24.405 -20.139 1.00 75.11 H new ATOM 0 HB3 ASP A 25 -4.976 26.151 -19.992 1.00 75.11 H new ATOM 417 N LEU A 26 -3.350 25.612 -17.213 1.00 11.45 N ATOM 418 CA LEU A 26 -3.423 26.395 -15.984 1.00 42.33 C ATOM 419 C LEU A 26 -2.027 26.735 -15.472 1.00 31.40 C ATOM 420 O LEU A 26 -1.704 27.902 -15.245 1.00 63.25 O ATOM 421 CB LEU A 26 -4.198 25.626 -14.913 1.00 5.25 C ATOM 422 CG LEU A 26 -5.603 26.141 -14.602 1.00 72.31 C ATOM 423 CD1 LEU A 26 -6.651 25.131 -15.045 1.00 51.25 C ATOM 424 CD2 LEU A 26 -5.745 26.442 -13.117 1.00 64.15 C ATOM 0 H LEU A 26 -3.496 24.611 -17.085 1.00 11.45 H new ATOM 0 HA LEU A 26 -3.946 27.326 -16.205 1.00 42.33 H new ATOM 0 HB2 LEU A 26 -4.275 24.585 -15.226 1.00 5.25 H new ATOM 0 HB3 LEU A 26 -3.616 25.639 -13.992 1.00 5.25 H new ATOM 0 HG LEU A 26 -5.761 27.066 -15.156 1.00 72.31 H new ATOM 0 HD11 LEU A 26 -7.645 25.514 -14.816 1.00 51.25 H new ATOM 0 HD12 LEU A 26 -6.565 24.965 -16.119 1.00 51.25 H new ATOM 0 HD13 LEU A 26 -6.495 24.190 -14.518 1.00 51.25 H new ATOM 0 HD21 LEU A 26 -6.752 26.808 -12.914 1.00 64.15 H new ATOM 0 HD22 LEU A 26 -5.567 25.533 -12.543 1.00 64.15 H new ATOM 0 HD23 LEU A 26 -5.018 27.202 -12.829 1.00 64.15 H new ATOM 436 N THR A 27 -1.200 25.708 -15.295 1.00 4.14 N ATOM 437 CA THR A 27 0.162 25.899 -14.811 1.00 54.35 C ATOM 438 C THR A 27 1.086 26.351 -15.936 1.00 0.33 C ATOM 439 O THR A 27 2.244 26.695 -15.700 1.00 41.53 O ATOM 440 CB THR A 27 0.722 24.606 -14.189 1.00 71.31 C ATOM 441 OG1 THR A 27 1.043 23.666 -15.221 1.00 70.12 O ATOM 442 CG2 THR A 27 -0.281 23.989 -13.228 1.00 31.12 C ATOM 0 H THR A 27 -1.450 24.736 -15.480 1.00 4.14 H new ATOM 0 HA THR A 27 0.121 26.674 -14.045 1.00 54.35 H new ATOM 0 HB THR A 27 1.625 24.858 -13.633 1.00 71.31 H new ATOM 0 HG1 THR A 27 1.400 22.847 -14.818 1.00 70.12 H new ATOM 0 HG21 THR A 27 0.137 23.077 -12.802 1.00 31.12 H new ATOM 0 HG22 THR A 27 -0.501 24.696 -12.428 1.00 31.12 H new ATOM 0 HG23 THR A 27 -1.200 23.751 -13.764 1.00 31.12 H new ATOM 450 N GLY A 28 0.566 26.351 -17.160 1.00 71.14 N ATOM 451 CA GLY A 28 1.359 26.764 -18.302 1.00 55.42 C ATOM 452 C GLY A 28 2.288 25.669 -18.791 1.00 63.01 C ATOM 453 O GLY A 28 3.025 25.856 -19.758 1.00 24.43 O ATOM 0 H GLY A 28 -0.390 26.072 -17.380 1.00 71.14 H new ATOM 0 HA2 GLY A 28 0.694 27.061 -19.113 1.00 55.42 H new ATOM 0 HA3 GLY A 28 1.947 27.642 -18.034 1.00 55.42 H new ATOM 457 N VAL A 29 2.253 24.523 -18.118 1.00 50.12 N ATOM 458 CA VAL A 29 3.098 23.394 -18.489 1.00 54.03 C ATOM 459 C VAL A 29 2.700 22.832 -19.849 1.00 24.12 C ATOM 460 O VAL A 29 1.520 22.691 -20.168 1.00 11.23 O ATOM 461 CB VAL A 29 3.023 22.269 -17.439 1.00 3.24 C ATOM 462 CG1 VAL A 29 3.181 20.909 -18.102 1.00 14.34 C ATOM 463 CG2 VAL A 29 4.079 22.472 -16.364 1.00 50.23 C ATOM 0 H VAL A 29 1.649 24.352 -17.314 1.00 50.12 H new ATOM 0 HA VAL A 29 4.121 23.767 -18.539 1.00 54.03 H new ATOM 0 HB VAL A 29 2.043 22.304 -16.964 1.00 3.24 H new ATOM 0 HG11 VAL A 29 3.125 20.127 -17.345 1.00 14.34 H new ATOM 0 HG12 VAL A 29 2.384 20.765 -18.832 1.00 14.34 H new ATOM 0 HG13 VAL A 29 4.147 20.859 -18.605 1.00 14.34 H new ATOM 0 HG21 VAL A 29 4.011 21.668 -15.631 1.00 50.23 H new ATOM 0 HG22 VAL A 29 5.069 22.464 -16.820 1.00 50.23 H new ATOM 0 HG23 VAL A 29 3.915 23.429 -15.869 1.00 50.23 H new ATOM 473 N PRO A 30 3.708 22.503 -20.671 1.00 5.34 N ATOM 474 CA PRO A 30 3.488 21.951 -22.011 1.00 54.13 C ATOM 475 C PRO A 30 2.929 20.532 -21.968 1.00 3.43 C ATOM 476 O PRO A 30 3.474 19.661 -21.291 1.00 5.21 O ATOM 477 CB PRO A 30 4.887 21.956 -22.631 1.00 44.23 C ATOM 478 CG PRO A 30 5.817 21.895 -21.468 1.00 71.13 C ATOM 479 CD PRO A 30 5.139 22.645 -20.355 1.00 14.15 C ATOM 0 HA PRO A 30 2.755 22.529 -22.575 1.00 54.13 H new ATOM 0 HB2 PRO A 30 5.028 21.104 -23.296 1.00 44.23 H new ATOM 0 HB3 PRO A 30 5.054 22.855 -23.225 1.00 44.23 H new ATOM 0 HG2 PRO A 30 6.014 20.862 -21.179 1.00 71.13 H new ATOM 0 HG3 PRO A 30 6.779 22.346 -21.713 1.00 71.13 H new ATOM 0 HD2 PRO A 30 5.379 22.221 -19.380 1.00 14.15 H new ATOM 0 HD3 PRO A 30 5.444 23.691 -20.332 1.00 14.15 H new ATOM 487 N TYR A 31 1.841 20.308 -22.696 1.00 25.44 N ATOM 488 CA TYR A 31 1.208 18.995 -22.739 1.00 32.30 C ATOM 489 C TYR A 31 2.154 17.954 -23.330 1.00 14.22 C ATOM 490 O TYR A 31 2.180 16.803 -22.894 1.00 34.33 O ATOM 491 CB TYR A 31 -0.080 19.055 -23.562 1.00 63.02 C ATOM 492 CG TYR A 31 -0.954 17.829 -23.407 1.00 1.51 C ATOM 493 CD1 TYR A 31 -0.564 16.603 -23.931 1.00 32.10 C ATOM 494 CD2 TYR A 31 -2.168 17.898 -22.735 1.00 12.33 C ATOM 495 CE1 TYR A 31 -1.360 15.482 -23.794 1.00 35.12 C ATOM 496 CE2 TYR A 31 -2.969 16.782 -22.591 1.00 62.12 C ATOM 497 CZ TYR A 31 -2.560 15.577 -23.122 1.00 32.41 C ATOM 498 OH TYR A 31 -3.355 14.462 -22.981 1.00 11.03 O ATOM 0 H TYR A 31 1.379 21.018 -23.264 1.00 25.44 H new ATOM 0 HA TYR A 31 0.966 18.702 -21.717 1.00 32.30 H new ATOM 0 HB2 TYR A 31 -0.649 19.937 -23.267 1.00 63.02 H new ATOM 0 HB3 TYR A 31 0.176 19.178 -24.614 1.00 63.02 H new ATOM 0 HD1 TYR A 31 0.377 16.525 -24.454 1.00 32.10 H new ATOM 0 HD2 TYR A 31 -2.491 18.840 -22.318 1.00 12.33 H new ATOM 0 HE1 TYR A 31 -1.044 14.537 -24.211 1.00 35.12 H new ATOM 0 HE2 TYR A 31 -3.910 16.853 -22.066 1.00 62.12 H new ATOM 0 HH TYR A 31 -4.165 14.698 -22.482 1.00 11.03 H new ATOM 508 N GLY A 32 2.930 18.367 -24.327 1.00 2.44 N ATOM 509 CA GLY A 32 3.868 17.459 -24.962 1.00 73.33 C ATOM 510 C GLY A 32 4.771 16.765 -23.963 1.00 15.40 C ATOM 511 O GLY A 32 5.156 15.611 -24.157 1.00 5.33 O ATOM 0 H GLY A 32 2.926 19.314 -24.707 1.00 2.44 H new ATOM 0 HA2 GLY A 32 3.316 16.710 -25.529 1.00 73.33 H new ATOM 0 HA3 GLY A 32 4.479 18.013 -25.675 1.00 73.33 H new ATOM 515 N THR A 33 5.113 17.469 -22.887 1.00 2.10 N ATOM 516 CA THR A 33 5.978 16.914 -21.854 1.00 33.22 C ATOM 517 C THR A 33 5.165 16.419 -20.663 1.00 41.20 C ATOM 518 O THR A 33 5.509 15.415 -20.039 1.00 25.30 O ATOM 519 CB THR A 33 7.005 17.953 -21.364 1.00 51.23 C ATOM 520 OG1 THR A 33 7.300 18.882 -22.413 1.00 63.51 O ATOM 521 CG2 THR A 33 8.287 17.273 -20.907 1.00 43.02 C ATOM 0 H THR A 33 4.804 18.425 -22.709 1.00 2.10 H new ATOM 0 HA THR A 33 6.508 16.074 -22.303 1.00 33.22 H new ATOM 0 HB THR A 33 6.574 18.486 -20.517 1.00 51.23 H new ATOM 0 HG1 THR A 33 7.952 19.540 -22.093 1.00 63.51 H new ATOM 0 HG21 THR A 33 8.997 18.027 -20.566 1.00 43.02 H new ATOM 0 HG22 THR A 33 8.064 16.588 -20.089 1.00 43.02 H new ATOM 0 HG23 THR A 33 8.720 16.717 -21.738 1.00 43.02 H new ATOM 529 N LEU A 34 4.087 17.129 -20.353 1.00 24.43 N ATOM 530 CA LEU A 34 3.223 16.761 -19.236 1.00 43.23 C ATOM 531 C LEU A 34 2.808 15.297 -19.328 1.00 50.10 C ATOM 532 O LEU A 34 2.786 14.583 -18.325 1.00 64.13 O ATOM 533 CB LEU A 34 1.981 17.654 -19.211 1.00 34.41 C ATOM 534 CG LEU A 34 0.939 17.324 -18.142 1.00 14.43 C ATOM 535 CD1 LEU A 34 1.412 17.788 -16.773 1.00 3.32 C ATOM 536 CD2 LEU A 34 -0.400 17.957 -18.489 1.00 12.32 C ATOM 0 H LEU A 34 3.789 17.963 -20.859 1.00 24.43 H new ATOM 0 HA LEU A 34 3.784 16.903 -18.312 1.00 43.23 H new ATOM 0 HB2 LEU A 34 2.303 18.686 -19.070 1.00 34.41 H new ATOM 0 HB3 LEU A 34 1.500 17.601 -20.188 1.00 34.41 H new ATOM 0 HG LEU A 34 0.809 16.242 -18.111 1.00 14.43 H new ATOM 0 HD11 LEU A 34 0.657 17.544 -16.025 1.00 3.32 H new ATOM 0 HD12 LEU A 34 2.347 17.287 -16.522 1.00 3.32 H new ATOM 0 HD13 LEU A 34 1.572 18.866 -16.789 1.00 3.32 H new ATOM 0 HD21 LEU A 34 -1.129 17.712 -17.717 1.00 12.32 H new ATOM 0 HD22 LEU A 34 -0.286 19.039 -18.549 1.00 12.32 H new ATOM 0 HD23 LEU A 34 -0.745 17.574 -19.449 1.00 12.32 H new ATOM 548 N SER A 35 2.482 14.854 -20.538 1.00 63.13 N ATOM 549 CA SER A 35 2.066 13.474 -20.761 1.00 73.31 C ATOM 550 C SER A 35 3.081 12.499 -20.172 1.00 51.22 C ATOM 551 O SER A 35 2.719 11.431 -19.680 1.00 50.40 O ATOM 552 CB SER A 35 1.894 13.207 -22.258 1.00 42.24 C ATOM 553 OG SER A 35 2.990 12.471 -22.774 1.00 24.01 O ATOM 0 H SER A 35 2.498 15.431 -21.379 1.00 63.13 H new ATOM 0 HA SER A 35 1.110 13.323 -20.260 1.00 73.31 H new ATOM 0 HB2 SER A 35 0.969 12.656 -22.428 1.00 42.24 H new ATOM 0 HB3 SER A 35 1.804 14.153 -22.791 1.00 42.24 H new ATOM 0 HG SER A 35 3.789 13.038 -22.784 1.00 24.01 H new ATOM 559 N TYR A 36 4.354 12.876 -20.227 1.00 24.31 N ATOM 560 CA TYR A 36 5.422 12.035 -19.701 1.00 24.32 C ATOM 561 C TYR A 36 5.674 12.331 -18.225 1.00 10.31 C ATOM 562 O TYR A 36 6.235 11.508 -17.502 1.00 72.52 O ATOM 563 CB TYR A 36 6.708 12.248 -20.501 1.00 60.32 C ATOM 564 CG TYR A 36 6.495 12.259 -21.999 1.00 21.33 C ATOM 565 CD1 TYR A 36 5.666 11.326 -22.608 1.00 21.51 C ATOM 566 CD2 TYR A 36 7.123 13.201 -22.803 1.00 33.34 C ATOM 567 CE1 TYR A 36 5.469 11.331 -23.976 1.00 11.33 C ATOM 568 CE2 TYR A 36 6.931 13.215 -24.171 1.00 14.13 C ATOM 569 CZ TYR A 36 6.103 12.278 -24.752 1.00 3.04 C ATOM 570 OH TYR A 36 5.908 12.287 -26.114 1.00 45.51 O ATOM 0 H TYR A 36 4.671 13.758 -20.630 1.00 24.31 H new ATOM 0 HA TYR A 36 5.110 10.995 -19.796 1.00 24.32 H new ATOM 0 HB2 TYR A 36 7.161 13.193 -20.200 1.00 60.32 H new ATOM 0 HB3 TYR A 36 7.417 11.460 -20.249 1.00 60.32 H new ATOM 0 HD1 TYR A 36 5.167 10.584 -22.002 1.00 21.51 H new ATOM 0 HD2 TYR A 36 7.773 13.936 -22.351 1.00 33.34 H new ATOM 0 HE1 TYR A 36 4.822 10.597 -24.434 1.00 11.33 H new ATOM 0 HE2 TYR A 36 7.426 13.955 -24.782 1.00 14.13 H new ATOM 0 HH TYR A 36 6.425 13.017 -26.514 1.00 45.51 H new ATOM 580 N TYR A 37 5.255 13.512 -17.786 1.00 54.21 N ATOM 581 CA TYR A 37 5.434 13.920 -16.399 1.00 5.01 C ATOM 582 C TYR A 37 4.603 13.047 -15.462 1.00 44.23 C ATOM 583 O TYR A 37 5.145 12.279 -14.669 1.00 51.30 O ATOM 584 CB TYR A 37 5.047 15.389 -16.222 1.00 11.33 C ATOM 585 CG TYR A 37 6.172 16.353 -16.526 1.00 63.44 C ATOM 586 CD1 TYR A 37 7.158 16.030 -17.451 1.00 74.01 C ATOM 587 CD2 TYR A 37 6.247 17.586 -15.890 1.00 44.14 C ATOM 588 CE1 TYR A 37 8.188 16.908 -17.731 1.00 44.51 C ATOM 589 CE2 TYR A 37 7.272 18.470 -16.166 1.00 1.34 C ATOM 590 CZ TYR A 37 8.241 18.126 -17.086 1.00 71.32 C ATOM 591 OH TYR A 37 9.264 19.003 -17.364 1.00 40.12 O ATOM 0 H TYR A 37 4.788 14.204 -18.372 1.00 54.21 H new ATOM 0 HA TYR A 37 6.487 13.796 -16.144 1.00 5.01 H new ATOM 0 HB2 TYR A 37 4.201 15.614 -16.872 1.00 11.33 H new ATOM 0 HB3 TYR A 37 4.712 15.547 -15.197 1.00 11.33 H new ATOM 0 HD1 TYR A 37 7.119 15.078 -17.959 1.00 74.01 H new ATOM 0 HD2 TYR A 37 5.491 17.858 -15.168 1.00 44.14 H new ATOM 0 HE1 TYR A 37 8.947 16.642 -18.451 1.00 44.51 H new ATOM 0 HE2 TYR A 37 7.315 19.425 -15.664 1.00 1.34 H new ATOM 0 HH TYR A 37 9.154 19.815 -16.826 1.00 40.12 H new ATOM 601 N GLU A 38 3.284 13.172 -15.562 1.00 3.11 N ATOM 602 CA GLU A 38 2.377 12.396 -14.726 1.00 5.14 C ATOM 603 C GLU A 38 2.508 10.904 -15.020 1.00 64.14 C ATOM 604 O GLU A 38 2.140 10.064 -14.199 1.00 41.42 O ATOM 605 CB GLU A 38 0.932 12.845 -14.946 1.00 45.31 C ATOM 606 CG GLU A 38 0.766 14.355 -15.003 1.00 24.31 C ATOM 607 CD GLU A 38 -0.608 14.808 -14.550 1.00 34.22 C ATOM 608 OE1 GLU A 38 -1.211 14.119 -13.700 1.00 25.54 O ATOM 609 OE2 GLU A 38 -1.081 15.852 -15.045 1.00 33.41 O ATOM 0 H GLU A 38 2.820 13.804 -16.214 1.00 3.11 H new ATOM 0 HA GLU A 38 2.648 12.569 -13.685 1.00 5.14 H new ATOM 0 HB2 GLU A 38 0.563 12.412 -15.876 1.00 45.31 H new ATOM 0 HB3 GLU A 38 0.311 12.450 -14.142 1.00 45.31 H new ATOM 0 HG2 GLU A 38 1.524 14.824 -14.376 1.00 24.31 H new ATOM 0 HG3 GLU A 38 0.939 14.698 -16.023 1.00 24.31 H new ATOM 616 N SER A 39 3.035 10.584 -16.198 1.00 60.13 N ATOM 617 CA SER A 39 3.210 9.194 -16.603 1.00 34.13 C ATOM 618 C SER A 39 4.374 8.552 -15.853 1.00 11.41 C ATOM 619 O SER A 39 4.476 7.329 -15.775 1.00 14.05 O ATOM 620 CB SER A 39 3.452 9.108 -18.112 1.00 51.23 C ATOM 621 OG SER A 39 3.922 7.823 -18.480 1.00 13.01 O ATOM 0 H SER A 39 3.348 11.267 -16.888 1.00 60.13 H new ATOM 0 HA SER A 39 2.298 8.651 -16.356 1.00 34.13 H new ATOM 0 HB2 SER A 39 2.527 9.327 -18.645 1.00 51.23 H new ATOM 0 HB3 SER A 39 4.178 9.864 -18.411 1.00 51.23 H new ATOM 0 HG SER A 39 4.068 7.793 -19.449 1.00 13.01 H new ATOM 627 N GLY A 40 5.248 9.388 -15.303 1.00 14.52 N ATOM 628 CA GLY A 40 6.393 8.885 -14.566 1.00 24.23 C ATOM 629 C GLY A 40 7.581 8.602 -15.463 1.00 45.11 C ATOM 630 O GLY A 40 8.593 8.065 -15.014 1.00 74.53 O ATOM 0 H GLY A 40 5.184 10.405 -15.354 1.00 14.52 H new ATOM 0 HA2 GLY A 40 6.680 9.612 -13.807 1.00 24.23 H new ATOM 0 HA3 GLY A 40 6.111 7.971 -14.042 1.00 24.23 H new ATOM 634 N ARG A 41 7.459 8.964 -16.736 1.00 4.24 N ATOM 635 CA ARG A 41 8.530 8.743 -17.700 1.00 13.35 C ATOM 636 C ARG A 41 9.817 9.429 -17.249 1.00 52.13 C ATOM 637 O ARG A 41 10.881 8.813 -17.213 1.00 61.34 O ATOM 638 CB ARG A 41 8.120 9.262 -19.079 1.00 40.30 C ATOM 639 CG ARG A 41 8.511 8.335 -20.219 1.00 52.51 C ATOM 640 CD ARG A 41 7.526 7.185 -20.364 1.00 42.11 C ATOM 641 NE ARG A 41 7.498 6.657 -21.726 1.00 62.55 N ATOM 642 CZ ARG A 41 6.656 5.713 -22.131 1.00 34.51 C ATOM 643 NH1 ARG A 41 5.776 5.197 -21.284 1.00 62.54 N ATOM 644 NH2 ARG A 41 6.691 5.285 -23.386 1.00 43.33 N ATOM 0 H ARG A 41 6.629 9.412 -17.124 1.00 4.24 H new ATOM 0 HA ARG A 41 8.712 7.670 -17.763 1.00 13.35 H new ATOM 0 HB2 ARG A 41 7.040 9.410 -19.096 1.00 40.30 H new ATOM 0 HB3 ARG A 41 8.578 10.238 -19.242 1.00 40.30 H new ATOM 0 HG2 ARG A 41 8.553 8.899 -21.151 1.00 52.51 H new ATOM 0 HG3 ARG A 41 9.511 7.939 -20.041 1.00 52.51 H new ATOM 0 HD2 ARG A 41 7.795 6.388 -19.671 1.00 42.11 H new ATOM 0 HD3 ARG A 41 6.528 7.525 -20.086 1.00 42.11 H new ATOM 0 HE ARG A 41 8.161 7.034 -22.403 1.00 62.55 H new ATOM 0 HH11 ARG A 41 5.744 5.525 -20.319 1.00 62.54 H new ATOM 0 HH12 ARG A 41 5.131 4.472 -21.598 1.00 62.54 H new ATOM 0 HH21 ARG A 41 7.365 5.681 -24.041 1.00 43.33 H new ATOM 0 HH22 ARG A 41 6.044 4.560 -23.696 1.00 43.33 H new ATOM 658 N SER A 42 9.709 10.709 -16.906 1.00 70.41 N ATOM 659 CA SER A 42 10.864 11.481 -16.462 1.00 61.23 C ATOM 660 C SER A 42 10.471 12.462 -15.362 1.00 5.23 C ATOM 661 O SER A 42 9.823 13.477 -15.621 1.00 13.14 O ATOM 662 CB SER A 42 11.482 12.238 -17.639 1.00 24.10 C ATOM 663 OG SER A 42 12.862 11.940 -17.769 1.00 12.30 O ATOM 0 H SER A 42 8.834 11.233 -16.927 1.00 70.41 H new ATOM 0 HA SER A 42 11.601 10.786 -16.059 1.00 61.23 H new ATOM 0 HB2 SER A 42 10.961 11.973 -18.559 1.00 24.10 H new ATOM 0 HB3 SER A 42 11.350 13.310 -17.495 1.00 24.10 H new ATOM 0 HG SER A 42 13.233 12.435 -18.529 1.00 12.30 H new ATOM 669 N THR A 43 10.868 12.153 -14.131 1.00 12.02 N ATOM 670 CA THR A 43 10.558 13.004 -12.991 1.00 14.23 C ATOM 671 C THR A 43 10.961 14.450 -13.259 1.00 53.01 C ATOM 672 O THR A 43 12.084 14.741 -13.667 1.00 0.33 O ATOM 673 CB THR A 43 11.267 12.514 -11.714 1.00 21.52 C ATOM 674 OG1 THR A 43 10.838 11.186 -11.395 1.00 2.04 O ATOM 675 CG2 THR A 43 10.975 13.442 -10.544 1.00 51.25 C ATOM 0 H THR A 43 11.406 11.318 -13.899 1.00 12.02 H new ATOM 0 HA THR A 43 9.480 12.951 -12.842 1.00 14.23 H new ATOM 0 HB THR A 43 12.341 12.514 -11.898 1.00 21.52 H new ATOM 0 HG1 THR A 43 11.405 10.821 -10.684 1.00 2.04 H new ATOM 0 HG21 THR A 43 11.486 13.076 -9.653 1.00 51.25 H new ATOM 0 HG22 THR A 43 11.329 14.446 -10.779 1.00 51.25 H new ATOM 0 HG23 THR A 43 9.901 13.469 -10.361 1.00 51.25 H new ATOM 683 N PRO A 44 10.023 15.380 -13.023 1.00 21.02 N ATOM 684 CA PRO A 44 10.258 16.811 -13.231 1.00 52.42 C ATOM 685 C PRO A 44 11.231 17.394 -12.212 1.00 70.25 C ATOM 686 O PRO A 44 11.562 16.766 -11.206 1.00 3.54 O ATOM 687 CB PRO A 44 8.868 17.429 -13.057 1.00 71.00 C ATOM 688 CG PRO A 44 8.134 16.469 -12.184 1.00 72.24 C ATOM 689 CD PRO A 44 8.661 15.105 -12.535 1.00 61.30 C ATOM 0 HA PRO A 44 10.710 17.012 -14.202 1.00 52.42 H new ATOM 0 HB2 PRO A 44 8.928 18.416 -12.598 1.00 71.00 H new ATOM 0 HB3 PRO A 44 8.367 17.554 -14.017 1.00 71.00 H new ATOM 0 HG2 PRO A 44 8.301 16.693 -11.130 1.00 72.24 H new ATOM 0 HG3 PRO A 44 7.059 16.528 -12.356 1.00 72.24 H new ATOM 0 HD2 PRO A 44 8.671 14.443 -11.669 1.00 61.30 H new ATOM 0 HD3 PRO A 44 8.050 14.623 -13.298 1.00 61.30 H new ATOM 697 N PRO A 45 11.700 18.623 -12.475 1.00 71.15 N ATOM 698 CA PRO A 45 12.641 19.317 -11.590 1.00 45.31 C ATOM 699 C PRO A 45 11.996 19.737 -10.274 1.00 45.42 C ATOM 700 O PRO A 45 10.886 19.316 -9.951 1.00 14.40 O ATOM 701 CB PRO A 45 13.050 20.547 -12.403 1.00 13.01 C ATOM 702 CG PRO A 45 11.908 20.786 -13.329 1.00 51.14 C ATOM 703 CD PRO A 45 11.347 19.429 -13.654 1.00 25.43 C ATOM 0 HA PRO A 45 13.479 18.680 -11.305 1.00 45.31 H new ATOM 0 HB2 PRO A 45 13.223 21.408 -11.758 1.00 13.01 H new ATOM 0 HB3 PRO A 45 13.974 20.369 -12.952 1.00 13.01 H new ATOM 0 HG2 PRO A 45 11.153 21.419 -12.862 1.00 51.14 H new ATOM 0 HG3 PRO A 45 12.239 21.298 -14.233 1.00 51.14 H new ATOM 0 HD2 PRO A 45 10.268 19.466 -13.807 1.00 25.43 H new ATOM 0 HD3 PRO A 45 11.784 19.021 -14.565 1.00 25.43 H new ATOM 711 N THR A 46 12.701 20.572 -9.516 1.00 13.11 N ATOM 712 CA THR A 46 12.198 21.050 -8.234 1.00 31.11 C ATOM 713 C THR A 46 11.449 22.368 -8.393 1.00 24.32 C ATOM 714 O THR A 46 10.658 22.752 -7.532 1.00 10.01 O ATOM 715 CB THR A 46 13.340 21.242 -7.219 1.00 23.32 C ATOM 716 OG1 THR A 46 14.095 20.031 -7.096 1.00 51.14 O ATOM 717 CG2 THR A 46 12.793 21.644 -5.857 1.00 20.13 C ATOM 0 H THR A 46 13.622 20.931 -9.768 1.00 13.11 H new ATOM 0 HA THR A 46 11.513 20.289 -7.860 1.00 31.11 H new ATOM 0 HB THR A 46 13.988 22.039 -7.582 1.00 23.32 H new ATOM 0 HG1 THR A 46 14.540 19.835 -7.947 1.00 51.14 H new ATOM 0 HG21 THR A 46 13.619 21.774 -5.157 1.00 20.13 H new ATOM 0 HG22 THR A 46 12.244 22.581 -5.948 1.00 20.13 H new ATOM 0 HG23 THR A 46 12.125 20.866 -5.489 1.00 20.13 H new ATOM 725 N ASP A 47 11.703 23.056 -9.501 1.00 42.22 N ATOM 726 CA ASP A 47 11.050 24.331 -9.775 1.00 11.00 C ATOM 727 C ASP A 47 9.643 24.115 -10.324 1.00 64.31 C ATOM 728 O ASP A 47 8.741 24.919 -10.085 1.00 65.11 O ATOM 729 CB ASP A 47 11.878 25.150 -10.766 1.00 53.22 C ATOM 730 CG ASP A 47 11.584 24.783 -12.208 1.00 65.03 C ATOM 731 OD1 ASP A 47 12.202 23.823 -12.715 1.00 21.44 O ATOM 732 OD2 ASP A 47 10.734 25.455 -12.829 1.00 61.13 O ATOM 0 H ASP A 47 12.356 22.752 -10.223 1.00 42.22 H new ATOM 0 HA ASP A 47 10.973 24.880 -8.837 1.00 11.00 H new ATOM 0 HB2 ASP A 47 11.675 26.210 -10.615 1.00 53.22 H new ATOM 0 HB3 ASP A 47 12.938 24.996 -10.564 1.00 53.22 H new ATOM 737 N VAL A 48 9.463 23.024 -11.063 1.00 60.11 N ATOM 738 CA VAL A 48 8.166 22.702 -11.646 1.00 45.24 C ATOM 739 C VAL A 48 7.286 21.954 -10.650 1.00 11.34 C ATOM 740 O VAL A 48 6.099 22.246 -10.516 1.00 1.53 O ATOM 741 CB VAL A 48 8.320 21.850 -12.919 1.00 14.52 C ATOM 742 CG1 VAL A 48 6.956 21.482 -13.485 1.00 74.34 C ATOM 743 CG2 VAL A 48 9.155 22.587 -13.956 1.00 62.30 C ATOM 0 H VAL A 48 10.199 22.349 -11.272 1.00 60.11 H new ATOM 0 HA VAL A 48 7.692 23.648 -11.906 1.00 45.24 H new ATOM 0 HB VAL A 48 8.839 20.928 -12.657 1.00 14.52 H new ATOM 0 HG11 VAL A 48 7.086 20.880 -14.384 1.00 74.34 H new ATOM 0 HG12 VAL A 48 6.396 20.911 -12.744 1.00 74.34 H new ATOM 0 HG13 VAL A 48 6.408 22.391 -13.733 1.00 74.34 H new ATOM 0 HG21 VAL A 48 9.254 21.970 -14.849 1.00 62.30 H new ATOM 0 HG22 VAL A 48 8.667 23.526 -14.216 1.00 62.30 H new ATOM 0 HG23 VAL A 48 10.144 22.794 -13.547 1.00 62.30 H new ATOM 753 N MET A 49 7.878 20.989 -9.955 1.00 23.51 N ATOM 754 CA MET A 49 7.147 20.199 -8.969 1.00 32.02 C ATOM 755 C MET A 49 6.452 21.103 -7.957 1.00 43.12 C ATOM 756 O MET A 49 5.453 20.718 -7.350 1.00 54.11 O ATOM 757 CB MET A 49 8.096 19.241 -8.248 1.00 51.33 C ATOM 758 CG MET A 49 8.760 19.849 -7.023 1.00 21.11 C ATOM 759 SD MET A 49 7.874 19.477 -5.497 1.00 71.53 S ATOM 760 CE MET A 49 8.026 21.035 -4.628 1.00 52.32 C ATOM 0 H MET A 49 8.861 20.735 -10.055 1.00 23.51 H new ATOM 0 HA MET A 49 6.387 19.620 -9.494 1.00 32.02 H new ATOM 0 HB2 MET A 49 7.542 18.352 -7.947 1.00 51.33 H new ATOM 0 HB3 MET A 49 8.868 18.915 -8.945 1.00 51.33 H new ATOM 0 HG2 MET A 49 9.781 19.477 -6.946 1.00 21.11 H new ATOM 0 HG3 MET A 49 8.823 20.930 -7.148 1.00 21.11 H new ATOM 0 HE1 MET A 49 8.071 20.850 -3.555 1.00 52.32 H new ATOM 0 HE2 MET A 49 8.937 21.542 -4.947 1.00 52.32 H new ATOM 0 HE3 MET A 49 7.164 21.663 -4.853 1.00 52.32 H new ATOM 770 N MET A 50 6.987 22.307 -7.779 1.00 13.33 N ATOM 771 CA MET A 50 6.416 23.265 -6.840 1.00 63.34 C ATOM 772 C MET A 50 5.389 24.158 -7.530 1.00 13.15 C ATOM 773 O MET A 50 4.465 24.663 -6.894 1.00 31.51 O ATOM 774 CB MET A 50 7.520 24.124 -6.220 1.00 63.11 C ATOM 775 CG MET A 50 8.267 24.977 -7.232 1.00 51.43 C ATOM 776 SD MET A 50 8.907 26.503 -6.516 1.00 41.12 S ATOM 777 CE MET A 50 9.430 25.928 -4.902 1.00 52.14 C ATOM 0 H MET A 50 7.815 22.642 -8.273 1.00 13.33 H new ATOM 0 HA MET A 50 5.913 22.706 -6.051 1.00 63.34 H new ATOM 0 HB2 MET A 50 7.081 24.774 -5.463 1.00 63.11 H new ATOM 0 HB3 MET A 50 8.231 23.474 -5.709 1.00 63.11 H new ATOM 0 HG2 MET A 50 9.094 24.401 -7.648 1.00 51.43 H new ATOM 0 HG3 MET A 50 7.600 25.220 -8.059 1.00 51.43 H new ATOM 0 HE1 MET A 50 10.080 26.673 -4.443 1.00 52.14 H new ATOM 0 HE2 MET A 50 8.555 25.771 -4.271 1.00 52.14 H new ATOM 0 HE3 MET A 50 9.973 24.989 -5.009 1.00 52.14 H new ATOM 787 N ASN A 51 5.558 24.347 -8.835 1.00 65.21 N ATOM 788 CA ASN A 51 4.646 25.180 -9.611 1.00 34.45 C ATOM 789 C ASN A 51 3.286 24.505 -9.757 1.00 20.22 C ATOM 790 O ASN A 51 2.286 25.159 -10.057 1.00 30.14 O ATOM 791 CB ASN A 51 5.235 25.468 -10.993 1.00 31.11 C ATOM 792 CG ASN A 51 5.895 26.832 -11.067 1.00 2.32 C ATOM 793 OD1 ASN A 51 5.398 27.805 -10.502 1.00 22.00 O ATOM 794 ND2 ASN A 51 7.021 26.907 -11.768 1.00 22.11 N ATOM 0 H ASN A 51 6.318 23.935 -9.377 1.00 65.21 H new ATOM 0 HA ASN A 51 4.511 26.121 -9.078 1.00 34.45 H new ATOM 0 HB2 ASN A 51 5.967 24.699 -11.240 1.00 31.11 H new ATOM 0 HB3 ASN A 51 4.445 25.409 -11.741 1.00 31.11 H new ATOM 0 HD21 ASN A 51 7.510 27.798 -11.854 1.00 22.11 H new ATOM 0 HD22 ASN A 51 7.397 26.073 -12.220 1.00 22.11 H new ATOM 801 N ILE A 52 3.255 23.194 -9.543 1.00 3.55 N ATOM 802 CA ILE A 52 2.017 22.431 -9.649 1.00 73.42 C ATOM 803 C ILE A 52 1.316 22.330 -8.299 1.00 71.13 C ATOM 804 O ILE A 52 0.087 22.355 -8.221 1.00 32.44 O ATOM 805 CB ILE A 52 2.274 21.013 -10.189 1.00 62.11 C ATOM 806 CG1 ILE A 52 3.187 21.068 -11.415 1.00 74.14 C ATOM 807 CG2 ILE A 52 0.959 20.329 -10.531 1.00 33.12 C ATOM 808 CD1 ILE A 52 2.874 22.214 -12.350 1.00 62.23 C ATOM 0 H ILE A 52 4.073 22.638 -9.295 1.00 3.55 H new ATOM 0 HA ILE A 52 1.376 22.966 -10.349 1.00 73.42 H new ATOM 0 HB ILE A 52 2.773 20.431 -9.414 1.00 62.11 H new ATOM 0 HG12 ILE A 52 4.222 21.152 -11.084 1.00 74.14 H new ATOM 0 HG13 ILE A 52 3.103 20.129 -11.963 1.00 74.14 H new ATOM 0 HG21 ILE A 52 1.158 19.327 -10.912 1.00 33.12 H new ATOM 0 HG22 ILE A 52 0.341 20.261 -9.636 1.00 33.12 H new ATOM 0 HG23 ILE A 52 0.435 20.908 -11.291 1.00 33.12 H new ATOM 0 HD11 ILE A 52 3.560 22.191 -13.196 1.00 62.23 H new ATOM 0 HD12 ILE A 52 1.850 22.120 -12.711 1.00 62.23 H new ATOM 0 HD13 ILE A 52 2.986 23.159 -11.818 1.00 62.23 H new ATOM 820 N LEU A 53 2.105 22.218 -7.236 1.00 51.45 N ATOM 821 CA LEU A 53 1.560 22.114 -5.886 1.00 74.54 C ATOM 822 C LEU A 53 1.198 23.491 -5.339 1.00 34.01 C ATOM 823 O LEU A 53 0.259 23.629 -4.555 1.00 42.22 O ATOM 824 CB LEU A 53 2.570 21.434 -4.959 1.00 74.22 C ATOM 825 CG LEU A 53 2.296 19.965 -4.632 1.00 41.43 C ATOM 826 CD1 LEU A 53 1.838 19.218 -5.875 1.00 53.22 C ATOM 827 CD2 LEU A 53 3.536 19.311 -4.041 1.00 13.23 C ATOM 0 H LEU A 53 3.124 22.197 -7.282 1.00 51.45 H new ATOM 0 HA LEU A 53 0.653 21.511 -5.931 1.00 74.54 H new ATOM 0 HB2 LEU A 53 3.558 21.506 -5.415 1.00 74.22 H new ATOM 0 HB3 LEU A 53 2.609 21.993 -4.024 1.00 74.22 H new ATOM 0 HG LEU A 53 1.497 19.920 -3.891 1.00 41.43 H new ATOM 0 HD11 LEU A 53 1.648 18.175 -5.623 1.00 53.22 H new ATOM 0 HD12 LEU A 53 0.923 19.672 -6.256 1.00 53.22 H new ATOM 0 HD13 LEU A 53 2.614 19.271 -6.638 1.00 53.22 H new ATOM 0 HD21 LEU A 53 3.323 18.266 -3.814 1.00 13.23 H new ATOM 0 HD22 LEU A 53 4.354 19.367 -4.759 1.00 13.23 H new ATOM 0 HD23 LEU A 53 3.820 19.830 -3.126 1.00 13.23 H new ATOM 839 N GLN A 54 1.946 24.506 -5.760 1.00 35.22 N ATOM 840 CA GLN A 54 1.701 25.872 -5.313 1.00 5.24 C ATOM 841 C GLN A 54 0.315 26.343 -5.738 1.00 40.02 C ATOM 842 O GLN A 54 -0.210 27.324 -5.208 1.00 11.30 O ATOM 843 CB GLN A 54 2.768 26.813 -5.873 1.00 13.40 C ATOM 844 CG GLN A 54 2.678 27.008 -7.378 1.00 75.21 C ATOM 845 CD GLN A 54 3.607 28.093 -7.884 1.00 20.35 C ATOM 846 OE1 GLN A 54 3.195 28.982 -8.630 1.00 45.45 O ATOM 847 NE2 GLN A 54 4.870 28.028 -7.479 1.00 73.44 N ATOM 0 H GLN A 54 2.726 24.408 -6.410 1.00 35.22 H new ATOM 0 HA GLN A 54 1.751 25.886 -4.224 1.00 5.24 H new ATOM 0 HB2 GLN A 54 2.678 27.783 -5.383 1.00 13.40 H new ATOM 0 HB3 GLN A 54 3.754 26.420 -5.624 1.00 13.40 H new ATOM 0 HG2 GLN A 54 2.917 26.069 -7.877 1.00 75.21 H new ATOM 0 HG3 GLN A 54 1.652 27.259 -7.647 1.00 75.21 H new ATOM 0 HE21 GLN A 54 5.169 27.274 -6.861 1.00 73.44 H new ATOM 0 HE22 GLN A 54 5.541 28.732 -7.786 1.00 73.44 H new ATOM 856 N THR A 55 -0.275 25.640 -6.699 1.00 23.53 N ATOM 857 CA THR A 55 -1.600 25.988 -7.198 1.00 24.25 C ATOM 858 C THR A 55 -2.643 25.905 -6.090 1.00 71.25 C ATOM 859 O THR A 55 -2.520 25.125 -5.145 1.00 30.33 O ATOM 860 CB THR A 55 -2.024 25.066 -8.357 1.00 54.30 C ATOM 861 OG1 THR A 55 -2.161 23.721 -7.888 1.00 42.52 O ATOM 862 CG2 THR A 55 -1.006 25.115 -9.487 1.00 51.14 C ATOM 0 H THR A 55 0.144 24.825 -7.148 1.00 23.53 H new ATOM 0 HA THR A 55 -1.542 27.014 -7.563 1.00 24.25 H new ATOM 0 HB THR A 55 -2.983 25.416 -8.739 1.00 54.30 H new ATOM 0 HG1 THR A 55 -1.313 23.244 -8.009 1.00 42.52 H new ATOM 0 HG21 THR A 55 -1.326 24.456 -10.294 1.00 51.14 H new ATOM 0 HG22 THR A 55 -0.927 26.136 -9.861 1.00 51.14 H new ATOM 0 HG23 THR A 55 -0.035 24.788 -9.116 1.00 51.14 H new ATOM 870 N PRO A 56 -3.697 26.727 -6.206 1.00 53.52 N ATOM 871 CA PRO A 56 -4.784 26.764 -5.222 1.00 12.33 C ATOM 872 C PRO A 56 -5.639 25.502 -5.257 1.00 31.34 C ATOM 873 O PRO A 56 -6.255 25.132 -4.257 1.00 43.31 O ATOM 874 CB PRO A 56 -5.608 27.980 -5.650 1.00 41.51 C ATOM 875 CG PRO A 56 -5.330 28.135 -7.105 1.00 31.12 C ATOM 876 CD PRO A 56 -3.909 27.683 -7.305 1.00 2.04 C ATOM 0 HA PRO A 56 -4.408 26.825 -4.201 1.00 12.33 H new ATOM 0 HB2 PRO A 56 -6.671 27.823 -5.465 1.00 41.51 H new ATOM 0 HB3 PRO A 56 -5.316 28.871 -5.094 1.00 41.51 H new ATOM 0 HG2 PRO A 56 -6.018 27.534 -7.700 1.00 31.12 H new ATOM 0 HG3 PRO A 56 -5.458 29.171 -7.419 1.00 31.12 H new ATOM 0 HD2 PRO A 56 -3.770 27.213 -8.279 1.00 2.04 H new ATOM 0 HD3 PRO A 56 -3.210 28.518 -7.252 1.00 2.04 H new ATOM 884 N GLN A 57 -5.673 24.847 -6.413 1.00 54.13 N ATOM 885 CA GLN A 57 -6.455 23.626 -6.576 1.00 35.45 C ATOM 886 C GLN A 57 -5.857 22.484 -5.760 1.00 15.23 C ATOM 887 O GLN A 57 -6.582 21.693 -5.157 1.00 55.15 O ATOM 888 CB GLN A 57 -6.523 23.234 -8.052 1.00 31.22 C ATOM 889 CG GLN A 57 -5.160 23.009 -8.686 1.00 70.00 C ATOM 890 CD GLN A 57 -5.144 23.336 -10.167 1.00 22.24 C ATOM 891 OE1 GLN A 57 -4.763 24.437 -10.567 1.00 74.05 O ATOM 892 NE2 GLN A 57 -5.560 22.380 -10.989 1.00 50.03 N ATOM 0 H GLN A 57 -5.169 25.140 -7.250 1.00 54.13 H new ATOM 0 HA GLN A 57 -7.464 23.818 -6.212 1.00 35.45 H new ATOM 0 HB2 GLN A 57 -7.115 22.324 -8.151 1.00 31.22 H new ATOM 0 HB3 GLN A 57 -7.046 24.016 -8.603 1.00 31.22 H new ATOM 0 HG2 GLN A 57 -4.419 23.624 -8.174 1.00 70.00 H new ATOM 0 HG3 GLN A 57 -4.865 21.969 -8.544 1.00 70.00 H new ATOM 0 HE21 GLN A 57 -5.867 21.483 -10.614 1.00 50.03 H new ATOM 0 HE22 GLN A 57 -5.573 22.543 -11.996 1.00 50.03 H new ATOM 901 N PHE A 58 -4.530 22.404 -5.747 1.00 44.33 N ATOM 902 CA PHE A 58 -3.834 21.358 -5.007 1.00 12.11 C ATOM 903 C PHE A 58 -3.174 21.926 -3.754 1.00 32.20 C ATOM 904 O PHE A 58 -2.226 21.347 -3.221 1.00 14.11 O ATOM 905 CB PHE A 58 -2.783 20.690 -5.894 1.00 65.32 C ATOM 906 CG PHE A 58 -3.324 20.216 -7.213 1.00 64.12 C ATOM 907 CD1 PHE A 58 -4.581 19.641 -7.293 1.00 14.53 C ATOM 908 CD2 PHE A 58 -2.575 20.347 -8.371 1.00 54.23 C ATOM 909 CE1 PHE A 58 -5.082 19.202 -8.505 1.00 51.05 C ATOM 910 CE2 PHE A 58 -3.070 19.910 -9.586 1.00 13.32 C ATOM 911 CZ PHE A 58 -4.325 19.338 -9.653 1.00 14.14 C ATOM 0 H PHE A 58 -3.915 23.051 -6.241 1.00 44.33 H new ATOM 0 HA PHE A 58 -4.568 20.612 -4.703 1.00 12.11 H new ATOM 0 HB2 PHE A 58 -1.972 21.395 -6.076 1.00 65.32 H new ATOM 0 HB3 PHE A 58 -2.355 19.842 -5.360 1.00 65.32 H new ATOM 0 HD1 PHE A 58 -5.177 19.534 -6.399 1.00 14.53 H new ATOM 0 HD2 PHE A 58 -1.594 20.795 -8.324 1.00 54.23 H new ATOM 0 HE1 PHE A 58 -6.063 18.754 -8.554 1.00 51.05 H new ATOM 0 HE2 PHE A 58 -2.476 20.016 -10.482 1.00 13.32 H new ATOM 0 HZ PHE A 58 -4.714 18.997 -10.601 1.00 14.14 H new ATOM 921 N THR A 59 -3.681 23.063 -3.289 1.00 4.20 N ATOM 922 CA THR A 59 -3.140 23.711 -2.100 1.00 22.31 C ATOM 923 C THR A 59 -3.176 22.774 -0.899 1.00 21.11 C ATOM 924 O THR A 59 -2.304 22.826 -0.031 1.00 21.14 O ATOM 925 CB THR A 59 -3.918 24.996 -1.758 1.00 62.34 C ATOM 926 OG1 THR A 59 -3.292 25.669 -0.659 1.00 4.22 O ATOM 927 CG2 THR A 59 -5.363 24.677 -1.408 1.00 32.12 C ATOM 0 H THR A 59 -4.465 23.555 -3.717 1.00 4.20 H new ATOM 0 HA THR A 59 -2.105 23.970 -2.324 1.00 22.31 H new ATOM 0 HB THR A 59 -3.909 25.645 -2.634 1.00 62.34 H new ATOM 0 HG1 THR A 59 -3.791 26.486 -0.448 1.00 4.22 H new ATOM 0 HG21 THR A 59 -5.892 25.600 -1.170 1.00 32.12 H new ATOM 0 HG22 THR A 59 -5.844 24.191 -2.257 1.00 32.12 H new ATOM 0 HG23 THR A 59 -5.390 24.011 -0.546 1.00 32.12 H new ATOM 935 N LYS A 60 -4.189 21.916 -0.853 1.00 35.52 N ATOM 936 CA LYS A 60 -4.339 20.964 0.242 1.00 52.53 C ATOM 937 C LYS A 60 -3.466 19.734 0.016 1.00 41.24 C ATOM 938 O LYS A 60 -3.312 18.899 0.907 1.00 22.22 O ATOM 939 CB LYS A 60 -5.804 20.544 0.382 1.00 75.42 C ATOM 940 CG LYS A 60 -6.434 20.088 -0.922 1.00 41.34 C ATOM 941 CD LYS A 60 -7.818 19.501 -0.697 1.00 60.34 C ATOM 942 CE LYS A 60 -8.759 19.838 -1.844 1.00 4.52 C ATOM 943 NZ LYS A 60 -10.031 19.069 -1.761 1.00 64.02 N ATOM 0 H LYS A 60 -4.920 21.860 -1.562 1.00 35.52 H new ATOM 0 HA LYS A 60 -4.018 21.452 1.162 1.00 52.53 H new ATOM 0 HB2 LYS A 60 -5.873 19.737 1.111 1.00 75.42 H new ATOM 0 HB3 LYS A 60 -6.377 21.382 0.779 1.00 75.42 H new ATOM 0 HG2 LYS A 60 -6.503 20.932 -1.609 1.00 41.34 H new ATOM 0 HG3 LYS A 60 -5.794 19.343 -1.395 1.00 41.34 H new ATOM 0 HD2 LYS A 60 -7.743 18.419 -0.593 1.00 60.34 H new ATOM 0 HD3 LYS A 60 -8.229 19.884 0.237 1.00 60.34 H new ATOM 0 HE2 LYS A 60 -8.978 20.906 -1.832 1.00 4.52 H new ATOM 0 HE3 LYS A 60 -8.267 19.624 -2.793 1.00 4.52 H new ATOM 0 HZ1 LYS A 60 -10.758 19.536 -2.340 1.00 64.02 H new ATOM 0 HZ2 LYS A 60 -9.876 18.103 -2.113 1.00 64.02 H new ATOM 0 HZ3 LYS A 60 -10.349 19.030 -0.772 1.00 64.02 H new ATOM 957 N TYR A 61 -2.896 19.630 -1.180 1.00 14.05 N ATOM 958 CA TYR A 61 -2.038 18.502 -1.522 1.00 71.14 C ATOM 959 C TYR A 61 -0.598 18.957 -1.737 1.00 30.13 C ATOM 960 O TYR A 61 -0.029 18.769 -2.813 1.00 60.54 O ATOM 961 CB TYR A 61 -2.558 17.803 -2.779 1.00 71.25 C ATOM 962 CG TYR A 61 -4.061 17.639 -2.804 1.00 2.03 C ATOM 963 CD1 TYR A 61 -4.724 16.966 -1.786 1.00 71.04 C ATOM 964 CD2 TYR A 61 -4.818 18.160 -3.847 1.00 2.40 C ATOM 965 CE1 TYR A 61 -6.096 16.814 -1.805 1.00 44.31 C ATOM 966 CE2 TYR A 61 -6.192 18.013 -3.874 1.00 73.23 C ATOM 967 CZ TYR A 61 -6.826 17.340 -2.851 1.00 4.15 C ATOM 968 OH TYR A 61 -8.195 17.191 -2.873 1.00 1.43 O ATOM 0 H TYR A 61 -3.013 20.313 -1.928 1.00 14.05 H new ATOM 0 HA TYR A 61 -2.056 17.799 -0.689 1.00 71.14 H new ATOM 0 HB2 TYR A 61 -2.249 18.373 -3.655 1.00 71.25 H new ATOM 0 HB3 TYR A 61 -2.093 16.820 -2.857 1.00 71.25 H new ATOM 0 HD1 TYR A 61 -4.156 16.554 -0.965 1.00 71.04 H new ATOM 0 HD2 TYR A 61 -4.324 18.688 -4.649 1.00 2.40 H new ATOM 0 HE1 TYR A 61 -6.595 16.286 -1.006 1.00 44.31 H new ATOM 0 HE2 TYR A 61 -6.766 18.423 -4.692 1.00 73.23 H new ATOM 0 HH TYR A 61 -8.564 17.674 -3.642 1.00 1.43 H new ATOM 978 N THR A 62 -0.014 19.557 -0.705 1.00 71.44 N ATOM 979 CA THR A 62 1.360 20.041 -0.779 1.00 10.10 C ATOM 980 C THR A 62 2.336 19.010 -0.225 1.00 71.52 C ATOM 981 O THR A 62 3.141 18.441 -0.964 1.00 70.23 O ATOM 982 CB THR A 62 1.532 21.363 -0.008 1.00 54.41 C ATOM 983 OG1 THR A 62 0.258 21.839 0.441 1.00 54.14 O ATOM 984 CG2 THR A 62 2.194 22.417 -0.882 1.00 32.11 C ATOM 0 H THR A 62 -0.471 19.720 0.192 1.00 71.44 H new ATOM 0 HA THR A 62 1.579 20.214 -1.833 1.00 10.10 H new ATOM 0 HB THR A 62 2.172 21.174 0.854 1.00 54.41 H new ATOM 0 HG1 THR A 62 -0.279 22.114 -0.331 1.00 54.14 H new ATOM 0 HG21 THR A 62 2.305 23.342 -0.316 1.00 32.11 H new ATOM 0 HG22 THR A 62 3.176 22.064 -1.197 1.00 32.11 H new ATOM 0 HG23 THR A 62 1.576 22.601 -1.761 1.00 32.11 H new ATOM 992 N LEU A 63 2.260 18.772 1.080 1.00 70.40 N ATOM 993 CA LEU A 63 3.137 17.808 1.734 1.00 22.45 C ATOM 994 C LEU A 63 2.360 16.566 2.160 1.00 21.32 C ATOM 995 O LEU A 63 2.927 15.633 2.729 1.00 24.35 O ATOM 996 CB LEU A 63 3.810 18.445 2.952 1.00 14.53 C ATOM 997 CG LEU A 63 3.075 18.287 4.284 1.00 33.33 C ATOM 998 CD1 LEU A 63 3.670 17.143 5.090 1.00 44.54 C ATOM 999 CD2 LEU A 63 3.126 19.584 5.078 1.00 34.14 C ATOM 0 H LEU A 63 1.600 19.234 1.706 1.00 70.40 H new ATOM 0 HA LEU A 63 3.903 17.508 1.019 1.00 22.45 H new ATOM 0 HB2 LEU A 63 4.807 18.017 3.057 1.00 14.53 H new ATOM 0 HB3 LEU A 63 3.940 19.509 2.755 1.00 14.53 H new ATOM 0 HG LEU A 63 2.031 18.052 4.075 1.00 33.33 H new ATOM 0 HD11 LEU A 63 3.134 17.046 6.034 1.00 44.54 H new ATOM 0 HD12 LEU A 63 3.581 16.215 4.525 1.00 44.54 H new ATOM 0 HD13 LEU A 63 4.722 17.347 5.289 1.00 44.54 H new ATOM 0 HD21 LEU A 63 2.598 19.453 6.023 1.00 34.14 H new ATOM 0 HD22 LEU A 63 4.165 19.849 5.276 1.00 34.14 H new ATOM 0 HD23 LEU A 63 2.652 20.381 4.505 1.00 34.14 H new ATOM 1011 N TRP A 64 1.063 16.561 1.879 1.00 4.53 N ATOM 1012 CA TRP A 64 0.209 15.433 2.232 1.00 50.12 C ATOM 1013 C TRP A 64 0.801 14.123 1.723 1.00 52.11 C ATOM 1014 O TRP A 64 0.542 13.056 2.280 1.00 52.14 O ATOM 1015 CB TRP A 64 -1.194 15.629 1.656 1.00 45.11 C ATOM 1016 CG TRP A 64 -1.426 14.873 0.383 1.00 5.32 C ATOM 1017 CD1 TRP A 64 -2.269 13.815 0.200 1.00 25.31 C ATOM 1018 CD2 TRP A 64 -0.804 15.117 -0.884 1.00 40.31 C ATOM 1019 NE1 TRP A 64 -2.209 13.385 -1.104 1.00 23.33 N ATOM 1020 CE2 TRP A 64 -1.318 14.167 -1.789 1.00 24.22 C ATOM 1021 CE3 TRP A 64 0.135 16.045 -1.342 1.00 53.41 C ATOM 1022 CZ2 TRP A 64 -0.923 14.121 -3.123 1.00 70.32 C ATOM 1023 CZ3 TRP A 64 0.528 15.997 -2.666 1.00 55.11 C ATOM 1024 CH2 TRP A 64 -0.001 15.042 -3.545 1.00 13.15 C ATOM 0 H TRP A 64 0.579 17.325 1.408 1.00 4.53 H new ATOM 0 HA TRP A 64 0.145 15.384 3.319 1.00 50.12 H new ATOM 0 HB2 TRP A 64 -1.930 15.314 2.396 1.00 45.11 H new ATOM 0 HB3 TRP A 64 -1.359 16.691 1.474 1.00 45.11 H new ATOM 0 HD1 TRP A 64 -2.892 13.380 0.967 1.00 25.31 H new ATOM 0 HE1 TRP A 64 -2.742 12.609 -1.498 1.00 23.33 H new ATOM 0 HE3 TRP A 64 0.546 16.787 -0.673 1.00 53.41 H new ATOM 0 HZ2 TRP A 64 -1.329 13.385 -3.801 1.00 70.32 H new ATOM 0 HZ3 TRP A 64 1.255 16.708 -3.030 1.00 55.11 H new ATOM 0 HH2 TRP A 64 0.325 15.032 -4.575 1.00 13.15 H new ATOM 1035 N PHE A 65 1.598 14.211 0.663 1.00 21.42 N ATOM 1036 CA PHE A 65 2.227 13.031 0.080 1.00 54.41 C ATOM 1037 C PHE A 65 3.747 13.159 0.101 1.00 55.14 C ATOM 1038 O PHE A 65 4.464 12.161 0.173 1.00 43.01 O ATOM 1039 CB PHE A 65 1.741 12.825 -1.356 1.00 0.51 C ATOM 1040 CG PHE A 65 0.789 11.674 -1.507 1.00 35.13 C ATOM 1041 CD1 PHE A 65 -0.115 11.368 -0.503 1.00 1.23 C ATOM 1042 CD2 PHE A 65 0.798 10.896 -2.654 1.00 72.04 C ATOM 1043 CE1 PHE A 65 -0.993 10.310 -0.640 1.00 74.41 C ATOM 1044 CE2 PHE A 65 -0.077 9.836 -2.796 1.00 63.43 C ATOM 1045 CZ PHE A 65 -0.972 9.541 -1.787 1.00 12.20 C ATOM 0 H PHE A 65 1.824 15.086 0.190 1.00 21.42 H new ATOM 0 HA PHE A 65 1.944 12.166 0.679 1.00 54.41 H new ATOM 0 HB2 PHE A 65 1.253 13.737 -1.700 1.00 0.51 H new ATOM 0 HB3 PHE A 65 2.603 12.661 -2.003 1.00 0.51 H new ATOM 0 HD1 PHE A 65 -0.134 11.964 0.398 1.00 1.23 H new ATOM 0 HD2 PHE A 65 1.497 11.121 -3.446 1.00 72.04 H new ATOM 0 HE1 PHE A 65 -1.695 10.085 0.149 1.00 74.41 H new ATOM 0 HE2 PHE A 65 -0.061 9.239 -3.696 1.00 63.43 H new ATOM 0 HZ PHE A 65 -1.654 8.711 -1.894 1.00 12.20 H new ATOM 1055 N MET A 66 4.232 14.395 0.036 1.00 21.31 N ATOM 1056 CA MET A 66 5.667 14.654 0.049 1.00 54.24 C ATOM 1057 C MET A 66 6.333 13.968 1.238 1.00 62.12 C ATOM 1058 O MET A 66 7.474 13.514 1.147 1.00 43.23 O ATOM 1059 CB MET A 66 5.935 16.159 0.097 1.00 0.42 C ATOM 1060 CG MET A 66 7.172 16.581 -0.679 1.00 60.21 C ATOM 1061 SD MET A 66 8.282 17.618 0.292 1.00 74.33 S ATOM 1062 CE MET A 66 9.033 16.397 1.365 1.00 12.21 C ATOM 0 H MET A 66 3.653 15.232 -0.026 1.00 21.31 H new ATOM 0 HA MET A 66 6.093 14.246 -0.868 1.00 54.24 H new ATOM 0 HB2 MET A 66 5.069 16.687 -0.301 1.00 0.42 H new ATOM 0 HB3 MET A 66 6.046 16.467 1.137 1.00 0.42 H new ATOM 0 HG2 MET A 66 7.709 15.692 -1.010 1.00 60.21 H new ATOM 0 HG3 MET A 66 6.867 17.122 -1.575 1.00 60.21 H new ATOM 0 HE1 MET A 66 8.733 16.585 2.396 1.00 12.21 H new ATOM 0 HE2 MET A 66 8.705 15.401 1.068 1.00 12.21 H new ATOM 0 HE3 MET A 66 10.118 16.461 1.285 1.00 12.21 H new ATOM 1072 N THR A 67 5.614 13.898 2.354 1.00 35.53 N ATOM 1073 CA THR A 67 6.137 13.270 3.561 1.00 25.30 C ATOM 1074 C THR A 67 5.097 12.353 4.196 1.00 54.02 C ATOM 1075 O THR A 67 5.204 11.999 5.370 1.00 4.44 O ATOM 1076 CB THR A 67 6.578 14.323 4.596 1.00 34.44 C ATOM 1077 OG1 THR A 67 7.252 15.403 3.940 1.00 54.41 O ATOM 1078 CG2 THR A 67 7.495 13.704 5.640 1.00 3.14 C ATOM 0 H THR A 67 4.668 14.268 2.447 1.00 35.53 H new ATOM 0 HA THR A 67 7.004 12.681 3.262 1.00 25.30 H new ATOM 0 HB THR A 67 5.688 14.703 5.097 1.00 34.44 H new ATOM 0 HG1 THR A 67 7.528 16.068 4.605 1.00 54.41 H new ATOM 0 HG21 THR A 67 7.793 14.466 6.360 1.00 3.14 H new ATOM 0 HG22 THR A 67 6.968 12.902 6.158 1.00 3.14 H new ATOM 0 HG23 THR A 67 8.381 13.299 5.152 1.00 3.14 H new ATOM 1086 N ASN A 68 4.094 11.971 3.414 1.00 30.33 N ATOM 1087 CA ASN A 68 3.036 11.094 3.901 1.00 74.32 C ATOM 1088 C ASN A 68 2.436 11.632 5.197 1.00 52.13 C ATOM 1089 O ASN A 68 2.028 10.866 6.068 1.00 64.53 O ATOM 1090 CB ASN A 68 3.579 9.682 4.125 1.00 33.53 C ATOM 1091 CG ASN A 68 4.077 9.044 2.843 1.00 60.54 C ATOM 1092 OD1 ASN A 68 5.256 9.150 2.502 1.00 41.20 O ATOM 1093 ND2 ASN A 68 3.181 8.377 2.126 1.00 22.32 N ATOM 0 H ASN A 68 3.991 12.255 2.440 1.00 30.33 H new ATOM 0 HA ASN A 68 2.251 11.059 3.146 1.00 74.32 H new ATOM 0 HB2 ASN A 68 4.393 9.719 4.849 1.00 33.53 H new ATOM 0 HB3 ASN A 68 2.796 9.059 4.557 1.00 33.53 H new ATOM 0 HD21 ASN A 68 3.459 7.926 1.254 1.00 22.32 H new ATOM 0 HD22 ASN A 68 2.215 8.315 2.447 1.00 22.32 H new ATOM 1100 N GLN A 69 2.387 12.955 5.314 1.00 44.34 N ATOM 1101 CA GLN A 69 1.838 13.596 6.504 1.00 22.34 C ATOM 1102 C GLN A 69 0.732 14.579 6.132 1.00 11.24 C ATOM 1103 O GLN A 69 0.992 15.625 5.537 1.00 12.43 O ATOM 1104 CB GLN A 69 2.942 14.321 7.274 1.00 24.40 C ATOM 1105 CG GLN A 69 2.456 14.988 8.551 1.00 53.41 C ATOM 1106 CD GLN A 69 2.423 14.035 9.730 1.00 3.24 C ATOM 1107 OE1 GLN A 69 3.464 13.656 10.266 1.00 30.13 O ATOM 1108 NE2 GLN A 69 1.222 13.643 10.140 1.00 3.22 N ATOM 0 H GLN A 69 2.720 13.603 4.601 1.00 44.34 H new ATOM 0 HA GLN A 69 1.411 12.820 7.139 1.00 22.34 H new ATOM 0 HB2 GLN A 69 3.728 13.608 7.523 1.00 24.40 H new ATOM 0 HB3 GLN A 69 3.389 15.076 6.627 1.00 24.40 H new ATOM 0 HG2 GLN A 69 3.107 15.830 8.787 1.00 53.41 H new ATOM 0 HG3 GLN A 69 1.457 15.393 8.388 1.00 53.41 H new ATOM 0 HE21 GLN A 69 0.385 13.983 9.666 1.00 3.22 H new ATOM 0 HE22 GLN A 69 1.136 13.002 10.929 1.00 3.22 H new ATOM 1117 N ILE A 70 -0.502 14.234 6.485 1.00 53.02 N ATOM 1118 CA ILE A 70 -1.646 15.086 6.189 1.00 1.12 C ATOM 1119 C ILE A 70 -1.809 16.176 7.243 1.00 5.32 C ATOM 1120 O ILE A 70 -1.882 15.892 8.438 1.00 35.42 O ATOM 1121 CB ILE A 70 -2.950 14.270 6.106 1.00 22.12 C ATOM 1122 CG1 ILE A 70 -3.158 13.469 7.394 1.00 23.30 C ATOM 1123 CG2 ILE A 70 -2.920 13.344 4.899 1.00 74.23 C ATOM 1124 CD1 ILE A 70 -4.364 13.911 8.191 1.00 41.24 C ATOM 0 H ILE A 70 -0.734 13.371 6.976 1.00 53.02 H new ATOM 0 HA ILE A 70 -1.452 15.547 5.220 1.00 1.12 H new ATOM 0 HB ILE A 70 -3.786 14.959 5.989 1.00 22.12 H new ATOM 0 HG12 ILE A 70 -3.265 12.414 7.143 1.00 23.30 H new ATOM 0 HG13 ILE A 70 -2.268 13.560 8.017 1.00 23.30 H new ATOM 0 HG21 ILE A 70 -3.848 12.774 4.854 1.00 74.23 H new ATOM 0 HG22 ILE A 70 -2.813 13.935 3.989 1.00 74.23 H new ATOM 0 HG23 ILE A 70 -2.077 12.658 4.987 1.00 74.23 H new ATOM 0 HD11 ILE A 70 -4.450 13.300 9.090 1.00 41.24 H new ATOM 0 HD12 ILE A 70 -4.250 14.958 8.473 1.00 41.24 H new ATOM 0 HD13 ILE A 70 -5.263 13.794 7.586 1.00 41.24 H new ATOM 1136 N ALA A 71 -1.866 17.425 6.791 1.00 53.21 N ATOM 1137 CA ALA A 71 -2.023 18.557 7.696 1.00 71.32 C ATOM 1138 C ALA A 71 -3.381 19.226 7.507 1.00 23.44 C ATOM 1139 O ALA A 71 -3.495 20.298 6.913 1.00 55.01 O ATOM 1140 CB ALA A 71 -0.903 19.564 7.480 1.00 72.44 C ATOM 0 H ALA A 71 -1.806 17.678 5.805 1.00 53.21 H new ATOM 0 HA ALA A 71 -1.970 18.184 8.719 1.00 71.32 H new ATOM 0 HB1 ALA A 71 -1.033 20.404 8.162 1.00 72.44 H new ATOM 0 HB2 ALA A 71 0.058 19.086 7.671 1.00 72.44 H new ATOM 0 HB3 ALA A 71 -0.931 19.924 6.452 1.00 72.44 H new ATOM 1146 N PRO A 72 -4.436 18.578 8.024 1.00 32.32 N ATOM 1147 CA PRO A 72 -5.805 19.092 7.925 1.00 40.23 C ATOM 1148 C PRO A 72 -6.023 20.333 8.783 1.00 33.14 C ATOM 1149 O PRO A 72 -6.886 21.159 8.489 1.00 11.03 O ATOM 1150 CB PRO A 72 -6.659 17.930 8.440 1.00 14.40 C ATOM 1151 CG PRO A 72 -5.750 17.161 9.336 1.00 21.53 C ATOM 1152 CD PRO A 72 -4.374 17.296 8.745 1.00 55.43 C ATOM 0 HA PRO A 72 -6.050 19.402 6.909 1.00 40.23 H new ATOM 0 HB2 PRO A 72 -7.535 18.291 8.979 1.00 14.40 H new ATOM 0 HB3 PRO A 72 -7.023 17.312 7.619 1.00 14.40 H new ATOM 0 HG2 PRO A 72 -5.779 17.555 10.352 1.00 21.53 H new ATOM 0 HG3 PRO A 72 -6.050 16.115 9.391 1.00 21.53 H new ATOM 0 HD2 PRO A 72 -3.604 17.306 9.517 1.00 55.43 H new ATOM 0 HD3 PRO A 72 -4.142 16.469 8.074 1.00 55.43 H new ATOM 1160 N GLU A 73 -5.233 20.459 9.845 1.00 23.32 N ATOM 1161 CA GLU A 73 -5.340 21.600 10.745 1.00 5.13 C ATOM 1162 C GLU A 73 -5.197 22.913 9.980 1.00 20.24 C ATOM 1163 O GLU A 73 -5.705 23.950 10.405 1.00 42.23 O ATOM 1164 CB GLU A 73 -4.274 21.517 11.839 1.00 31.42 C ATOM 1165 CG GLU A 73 -4.307 20.217 12.625 1.00 1.34 C ATOM 1166 CD GLU A 73 -4.741 20.415 14.065 1.00 12.40 C ATOM 1167 OE1 GLU A 73 -5.760 21.103 14.287 1.00 62.13 O ATOM 1168 OE2 GLU A 73 -4.061 19.886 14.967 1.00 50.44 O ATOM 0 H GLU A 73 -4.512 19.785 10.102 1.00 23.32 H new ATOM 0 HA GLU A 73 -6.327 21.574 11.206 1.00 5.13 H new ATOM 0 HB2 GLU A 73 -3.290 21.632 11.385 1.00 31.42 H new ATOM 0 HB3 GLU A 73 -4.407 22.351 12.528 1.00 31.42 H new ATOM 0 HG2 GLU A 73 -4.988 19.519 12.137 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -3.317 19.761 12.607 1.00 1.34 H new ATOM 1175 N SER A 74 -4.502 22.859 8.848 1.00 3.44 N ATOM 1176 CA SER A 74 -4.288 24.042 8.024 1.00 51.31 C ATOM 1177 C SER A 74 -5.104 23.965 6.739 1.00 0.10 C ATOM 1178 O SER A 74 -5.473 24.986 6.160 1.00 72.23 O ATOM 1179 CB SER A 74 -2.803 24.196 7.691 1.00 74.54 C ATOM 1180 OG SER A 74 -1.998 23.987 8.839 1.00 24.41 O ATOM 0 H SER A 74 -4.077 22.007 8.481 1.00 3.44 H new ATOM 0 HA SER A 74 -4.618 24.913 8.591 1.00 51.31 H new ATOM 0 HB2 SER A 74 -2.526 23.484 6.914 1.00 74.54 H new ATOM 0 HB3 SER A 74 -2.618 25.193 7.290 1.00 74.54 H new ATOM 0 HG SER A 74 -1.508 23.143 8.746 1.00 24.41 H new ATOM 1186 N GLY A 75 -5.383 22.742 6.295 1.00 44.22 N ATOM 1187 CA GLY A 75 -6.154 22.552 5.079 1.00 41.33 C ATOM 1188 C GLY A 75 -5.450 21.656 4.081 1.00 61.32 C ATOM 1189 O GLY A 75 -5.435 21.941 2.884 1.00 21.02 O ATOM 0 H GLY A 75 -5.089 21.880 6.755 1.00 44.22 H new ATOM 0 HA2 GLY A 75 -7.123 22.120 5.330 1.00 41.33 H new ATOM 0 HA3 GLY A 75 -6.347 23.521 4.619 1.00 41.33 H new ATOM 1193 N GLN A 76 -4.864 20.569 4.574 1.00 43.44 N ATOM 1194 CA GLN A 76 -4.153 19.628 3.715 1.00 71.34 C ATOM 1195 C GLN A 76 -4.553 18.191 4.033 1.00 22.20 C ATOM 1196 O GLN A 76 -4.301 17.696 5.132 1.00 15.14 O ATOM 1197 CB GLN A 76 -2.641 19.798 3.881 1.00 1.44 C ATOM 1198 CG GLN A 76 -2.070 20.961 3.086 1.00 0.22 C ATOM 1199 CD GLN A 76 -2.564 22.305 3.581 1.00 70.30 C ATOM 1200 OE1 GLN A 76 -2.863 22.474 4.763 1.00 4.14 O ATOM 1201 NE2 GLN A 76 -2.654 23.273 2.676 1.00 55.24 N ATOM 0 H GLN A 76 -4.867 20.318 5.563 1.00 43.44 H new ATOM 0 HA GLN A 76 -4.425 19.841 2.681 1.00 71.34 H new ATOM 0 HB2 GLN A 76 -2.414 19.944 4.937 1.00 1.44 H new ATOM 0 HB3 GLN A 76 -2.144 18.878 3.572 1.00 1.44 H new ATOM 0 HG2 GLN A 76 -0.982 20.935 3.142 1.00 0.22 H new ATOM 0 HG3 GLN A 76 -2.338 20.844 2.036 1.00 0.22 H new ATOM 0 HE21 GLN A 76 -2.396 23.090 1.706 1.00 55.24 H new ATOM 0 HE22 GLN A 76 -2.981 24.199 2.951 1.00 55.24 H new ATOM 1210 N ILE A 77 -5.178 17.529 3.066 1.00 35.21 N ATOM 1211 CA ILE A 77 -5.612 16.149 3.243 1.00 50.55 C ATOM 1212 C ILE A 77 -5.496 15.365 1.939 1.00 25.22 C ATOM 1213 O ILE A 77 -5.320 15.944 0.869 1.00 5.00 O ATOM 1214 CB ILE A 77 -7.066 16.076 3.744 1.00 45.42 C ATOM 1215 CG1 ILE A 77 -8.040 16.339 2.594 1.00 11.52 C ATOM 1216 CG2 ILE A 77 -7.288 17.074 4.872 1.00 62.31 C ATOM 1217 CD1 ILE A 77 -7.855 17.692 1.943 1.00 65.21 C ATOM 0 H ILE A 77 -5.395 17.926 2.152 1.00 35.21 H new ATOM 0 HA ILE A 77 -4.956 15.705 3.992 1.00 50.55 H new ATOM 0 HB ILE A 77 -7.252 15.073 4.129 1.00 45.42 H new ATOM 0 HG12 ILE A 77 -7.917 15.562 1.840 1.00 11.52 H new ATOM 0 HG13 ILE A 77 -9.061 16.261 2.968 1.00 11.52 H new ATOM 0 HG21 ILE A 77 -8.320 17.011 5.216 1.00 62.31 H new ATOM 0 HG22 ILE A 77 -6.616 16.844 5.699 1.00 62.31 H new ATOM 0 HG23 ILE A 77 -7.087 18.082 4.510 1.00 62.31 H new ATOM 0 HD11 ILE A 77 -8.579 17.810 1.137 1.00 65.21 H new ATOM 0 HD12 ILE A 77 -8.007 18.476 2.684 1.00 65.21 H new ATOM 0 HD13 ILE A 77 -6.846 17.766 1.538 1.00 65.21 H new ATOM 1229 N ALA A 78 -5.598 14.044 2.039 1.00 44.32 N ATOM 1230 CA ALA A 78 -5.508 13.181 0.869 1.00 35.42 C ATOM 1231 C ALA A 78 -6.866 13.036 0.188 1.00 61.12 C ATOM 1232 O ALA A 78 -7.896 12.857 0.837 1.00 40.31 O ATOM 1233 CB ALA A 78 -4.965 11.814 1.260 1.00 72.54 C ATOM 0 H ALA A 78 -5.743 13.548 2.919 1.00 44.32 H new ATOM 0 HA ALA A 78 -4.821 13.644 0.160 1.00 35.42 H new ATOM 0 HB1 ALA A 78 -4.904 11.180 0.375 1.00 72.54 H new ATOM 0 HB2 ALA A 78 -3.972 11.928 1.695 1.00 72.54 H new ATOM 0 HB3 ALA A 78 -5.630 11.354 1.991 1.00 72.54 H new ATOM 1239 N PRO A 79 -6.868 13.117 -1.151 1.00 45.11 N ATOM 1240 CA PRO A 79 -8.092 12.997 -1.949 1.00 73.10 C ATOM 1241 C PRO A 79 -8.658 11.581 -1.935 1.00 74.34 C ATOM 1242 O PRO A 79 -8.143 10.704 -1.242 1.00 72.43 O ATOM 1243 CB PRO A 79 -7.634 13.377 -3.359 1.00 3.43 C ATOM 1244 CG PRO A 79 -6.178 13.064 -3.382 1.00 4.55 C ATOM 1245 CD PRO A 79 -5.676 13.329 -1.989 1.00 54.14 C ATOM 0 HA PRO A 79 -8.894 13.626 -1.562 1.00 73.10 H new ATOM 0 HB2 PRO A 79 -8.173 12.809 -4.117 1.00 3.43 H new ATOM 0 HB3 PRO A 79 -7.815 14.432 -3.563 1.00 3.43 H new ATOM 0 HG2 PRO A 79 -6.006 12.026 -3.668 1.00 4.55 H new ATOM 0 HG3 PRO A 79 -5.657 13.686 -4.110 1.00 4.55 H new ATOM 0 HD2 PRO A 79 -4.868 12.650 -1.717 1.00 54.14 H new ATOM 0 HD3 PRO A 79 -5.289 14.343 -1.888 1.00 54.14 H new ATOM 1253 N ALA A 80 -9.719 11.366 -2.704 1.00 1.11 N ATOM 1254 CA ALA A 80 -10.354 10.056 -2.782 1.00 34.34 C ATOM 1255 C ALA A 80 -9.441 9.044 -3.466 1.00 51.31 C ATOM 1256 O ALA A 80 -9.072 8.027 -2.878 1.00 70.35 O ATOM 1257 CB ALA A 80 -11.682 10.154 -3.519 1.00 63.50 C ATOM 0 H ALA A 80 -10.158 12.082 -3.283 1.00 1.11 H new ATOM 0 HA ALA A 80 -10.541 9.710 -1.765 1.00 34.34 H new ATOM 0 HB1 ALA A 80 -12.144 9.168 -3.569 1.00 63.50 H new ATOM 0 HB2 ALA A 80 -12.344 10.838 -2.987 1.00 63.50 H new ATOM 0 HB3 ALA A 80 -11.511 10.526 -4.529 1.00 63.50 H new ATOM 1263 N LEU A 81 -9.079 9.329 -4.712 1.00 5.22 N ATOM 1264 CA LEU A 81 -8.209 8.443 -5.478 1.00 2.43 C ATOM 1265 C LEU A 81 -6.952 8.097 -4.688 1.00 54.42 C ATOM 1266 O LEU A 81 -6.453 6.974 -4.755 1.00 41.41 O ATOM 1267 CB LEU A 81 -7.826 9.096 -6.807 1.00 34.21 C ATOM 1268 CG LEU A 81 -8.981 9.655 -7.639 1.00 32.21 C ATOM 1269 CD1 LEU A 81 -9.096 11.159 -7.452 1.00 11.43 C ATOM 1270 CD2 LEU A 81 -8.794 9.312 -9.109 1.00 41.44 C ATOM 0 H LEU A 81 -9.374 10.167 -5.214 1.00 5.22 H new ATOM 0 HA LEU A 81 -8.756 7.521 -5.677 1.00 2.43 H new ATOM 0 HB2 LEU A 81 -7.127 9.907 -6.602 1.00 34.21 H new ATOM 0 HB3 LEU A 81 -7.293 8.360 -7.410 1.00 34.21 H new ATOM 0 HG LEU A 81 -9.907 9.195 -7.294 1.00 32.21 H new ATOM 0 HD11 LEU A 81 -9.923 11.538 -8.052 1.00 11.43 H new ATOM 0 HD12 LEU A 81 -9.278 11.382 -6.401 1.00 11.43 H new ATOM 0 HD13 LEU A 81 -8.169 11.637 -7.769 1.00 11.43 H new ATOM 0 HD21 LEU A 81 -9.625 9.718 -9.686 1.00 41.44 H new ATOM 0 HD22 LEU A 81 -7.859 9.743 -9.467 1.00 41.44 H new ATOM 0 HD23 LEU A 81 -8.764 8.229 -9.229 1.00 41.44 H new ATOM 1282 N ALA A 82 -6.445 9.069 -3.936 1.00 61.40 N ATOM 1283 CA ALA A 82 -5.249 8.867 -3.128 1.00 42.42 C ATOM 1284 C ALA A 82 -5.381 7.624 -2.254 1.00 41.25 C ATOM 1285 O ALA A 82 -6.339 7.488 -1.492 1.00 1.31 O ATOM 1286 CB ALA A 82 -4.979 10.093 -2.270 1.00 60.33 C ATOM 0 H ALA A 82 -6.845 10.005 -3.870 1.00 61.40 H new ATOM 0 HA ALA A 82 -4.406 8.717 -3.802 1.00 42.42 H new ATOM 0 HB1 ALA A 82 -4.083 9.928 -1.672 1.00 60.33 H new ATOM 0 HB2 ALA A 82 -4.832 10.961 -2.912 1.00 60.33 H new ATOM 0 HB3 ALA A 82 -5.828 10.270 -1.610 1.00 60.33 H new ATOM 1292 N HIS A 83 -4.414 6.720 -2.369 1.00 52.44 N ATOM 1293 CA HIS A 83 -4.422 5.488 -1.588 1.00 62.14 C ATOM 1294 C HIS A 83 -3.621 5.654 -0.300 1.00 43.04 C ATOM 1295 O HIS A 83 -2.886 4.754 0.106 1.00 74.24 O ATOM 1296 CB HIS A 83 -3.852 4.333 -2.412 1.00 52.01 C ATOM 1297 CG HIS A 83 -4.821 3.772 -3.407 1.00 71.45 C ATOM 1298 ND1 HIS A 83 -5.481 2.576 -3.224 1.00 72.31 N ATOM 1299 CD2 HIS A 83 -5.240 4.253 -4.602 1.00 33.10 C ATOM 1300 CE1 HIS A 83 -6.263 2.344 -4.263 1.00 41.15 C ATOM 1301 NE2 HIS A 83 -6.136 3.346 -5.113 1.00 35.44 N ATOM 0 H HIS A 83 -3.615 6.817 -2.995 1.00 52.44 H new ATOM 0 HA HIS A 83 -5.455 5.262 -1.325 1.00 62.14 H new ATOM 0 HB2 HIS A 83 -2.962 4.678 -2.938 1.00 52.01 H new ATOM 0 HB3 HIS A 83 -3.535 3.538 -1.737 1.00 52.01 H new ATOM 0 HD2 HIS A 83 -4.928 5.177 -5.066 1.00 33.10 H new ATOM 0 HE1 HIS A 83 -6.899 1.481 -4.395 1.00 41.15 H new ATOM 0 HE2 HIS A 83 -6.624 3.433 -6.004 1.00 35.44 H new ATOM 1309 N PHE A 84 -3.766 6.812 0.335 1.00 61.54 N ATOM 1310 CA PHE A 84 -3.054 7.098 1.575 1.00 21.02 C ATOM 1311 C PHE A 84 -3.877 8.014 2.477 1.00 45.34 C ATOM 1312 O PHE A 84 -5.033 8.316 2.184 1.00 11.55 O ATOM 1313 CB PHE A 84 -1.700 7.742 1.274 1.00 72.42 C ATOM 1314 CG PHE A 84 -0.530 6.855 1.591 1.00 14.02 C ATOM 1315 CD1 PHE A 84 -0.263 6.478 2.897 1.00 20.34 C ATOM 1316 CD2 PHE A 84 0.303 6.398 0.582 1.00 43.32 C ATOM 1317 CE1 PHE A 84 0.813 5.661 3.191 1.00 14.32 C ATOM 1318 CE2 PHE A 84 1.380 5.580 0.870 1.00 15.34 C ATOM 1319 CZ PHE A 84 1.635 5.213 2.177 1.00 4.42 C ATOM 0 H PHE A 84 -4.370 7.568 0.012 1.00 61.54 H new ATOM 0 HA PHE A 84 -2.892 6.155 2.097 1.00 21.02 H new ATOM 0 HB2 PHE A 84 -1.663 8.015 0.219 1.00 72.42 H new ATOM 0 HB3 PHE A 84 -1.611 8.666 1.846 1.00 72.42 H new ATOM 0 HD1 PHE A 84 -0.903 6.826 3.695 1.00 20.34 H new ATOM 0 HD2 PHE A 84 0.109 6.684 -0.441 1.00 43.32 H new ATOM 0 HE1 PHE A 84 1.010 5.374 4.213 1.00 14.32 H new ATOM 0 HE2 PHE A 84 2.021 5.229 0.075 1.00 15.34 H new ATOM 0 HZ PHE A 84 2.477 4.576 2.405 1.00 4.42 H new ATOM 1329 N GLY A 85 -3.271 8.454 3.575 1.00 64.22 N ATOM 1330 CA GLY A 85 -3.961 9.330 4.504 1.00 5.30 C ATOM 1331 C GLY A 85 -4.207 8.674 5.848 1.00 2.52 C ATOM 1332 O GLY A 85 -4.288 7.449 5.941 1.00 22.04 O ATOM 0 H GLY A 85 -2.314 8.219 3.838 1.00 64.22 H new ATOM 0 HA2 GLY A 85 -3.373 10.237 4.648 1.00 5.30 H new ATOM 0 HA3 GLY A 85 -4.914 9.634 4.072 1.00 5.30 H new ATOM 1336 N GLN A 86 -4.323 9.490 6.890 1.00 42.43 N ATOM 1337 CA GLN A 86 -4.558 8.980 8.236 1.00 52.01 C ATOM 1338 C GLN A 86 -5.710 9.723 8.906 1.00 63.41 C ATOM 1339 O GLN A 86 -5.541 10.840 9.392 1.00 73.22 O ATOM 1340 CB GLN A 86 -3.291 9.110 9.082 1.00 35.20 C ATOM 1341 CG GLN A 86 -2.975 7.868 9.899 1.00 10.42 C ATOM 1342 CD GLN A 86 -1.569 7.885 10.467 1.00 73.52 C ATOM 1343 OE1 GLN A 86 -1.371 7.726 11.671 1.00 42.32 O ATOM 1344 NE2 GLN A 86 -0.582 8.077 9.598 1.00 61.55 N ATOM 0 H GLN A 86 -4.258 10.506 6.829 1.00 42.43 H new ATOM 0 HA GLN A 86 -4.826 7.927 8.157 1.00 52.01 H new ATOM 0 HB2 GLN A 86 -2.448 9.328 8.427 1.00 35.20 H new ATOM 0 HB3 GLN A 86 -3.400 9.960 9.756 1.00 35.20 H new ATOM 0 HG2 GLN A 86 -3.692 7.783 10.716 1.00 10.42 H new ATOM 0 HG3 GLN A 86 -3.099 6.985 9.273 1.00 10.42 H new ATOM 0 HE21 GLN A 86 -0.792 8.205 8.608 1.00 61.55 H new ATOM 0 HE22 GLN A 86 0.385 8.097 9.921 1.00 61.55 H new ATOM 1353 N ASN A 87 -6.880 9.095 8.927 1.00 31.20 N ATOM 1354 CA ASN A 87 -8.061 9.697 9.537 1.00 45.35 C ATOM 1355 C ASN A 87 -9.178 8.669 9.691 1.00 15.25 C ATOM 1356 O ASN A 87 -9.591 8.038 8.720 1.00 4.03 O ATOM 1357 CB ASN A 87 -8.550 10.876 8.694 1.00 34.33 C ATOM 1358 CG ASN A 87 -9.683 11.632 9.360 1.00 11.22 C ATOM 1359 OD1 ASN A 87 -9.780 11.673 10.587 1.00 22.11 O ATOM 1360 ND2 ASN A 87 -10.547 12.237 8.553 1.00 35.51 N ATOM 0 H ASN A 87 -7.037 8.169 8.529 1.00 31.20 H new ATOM 0 HA ASN A 87 -7.784 10.057 10.528 1.00 45.35 H new ATOM 0 HB2 ASN A 87 -7.719 11.558 8.512 1.00 34.33 H new ATOM 0 HB3 ASN A 87 -8.882 10.511 7.722 1.00 34.33 H new ATOM 0 HD21 ASN A 87 -11.329 12.762 8.945 1.00 35.51 H new ATOM 0 HD22 ASN A 87 -10.428 12.177 7.542 1.00 35.51 H new ATOM 1367 N GLU A 88 -9.661 8.508 10.919 1.00 63.12 N ATOM 1368 CA GLU A 88 -10.729 7.557 11.200 1.00 73.11 C ATOM 1369 C GLU A 88 -11.850 8.218 11.997 1.00 72.51 C ATOM 1370 O GLU A 88 -13.021 8.153 11.618 1.00 5.10 O ATOM 1371 CB GLU A 88 -10.181 6.354 11.971 1.00 3.53 C ATOM 1372 CG GLU A 88 -10.509 5.017 11.326 1.00 14.52 C ATOM 1373 CD GLU A 88 -10.041 3.838 12.156 1.00 25.53 C ATOM 1374 OE1 GLU A 88 -9.197 4.044 13.054 1.00 74.22 O ATOM 1375 OE2 GLU A 88 -10.518 2.711 11.910 1.00 1.34 O ATOM 0 H GLU A 88 -9.330 9.024 11.734 1.00 63.12 H new ATOM 0 HA GLU A 88 -11.136 7.215 10.248 1.00 73.11 H new ATOM 0 HB2 GLU A 88 -9.099 6.451 12.057 1.00 3.53 H new ATOM 0 HB3 GLU A 88 -10.584 6.368 12.984 1.00 3.53 H new ATOM 0 HG2 GLU A 88 -11.586 4.945 11.175 1.00 14.52 H new ATOM 0 HG3 GLU A 88 -10.045 4.970 10.341 1.00 14.52 H new ATOM 1382 N THR A 89 -11.485 8.855 13.105 1.00 42.12 N ATOM 1383 CA THR A 89 -12.458 9.527 13.957 1.00 64.33 C ATOM 1384 C THR A 89 -12.050 10.971 14.226 1.00 65.52 C ATOM 1385 O THR A 89 -12.431 11.556 15.240 1.00 3.15 O ATOM 1386 CB THR A 89 -12.629 8.794 15.301 1.00 3.44 C ATOM 1387 OG1 THR A 89 -12.523 7.380 15.105 1.00 34.35 O ATOM 1388 CG2 THR A 89 -13.973 9.125 15.931 1.00 35.32 C ATOM 0 H THR A 89 -10.522 8.920 13.434 1.00 42.12 H new ATOM 0 HA THR A 89 -13.408 9.515 13.422 1.00 64.33 H new ATOM 0 HB THR A 89 -11.839 9.127 15.974 1.00 3.44 H new ATOM 0 HG1 THR A 89 -12.631 6.922 15.964 1.00 34.35 H new ATOM 0 HG21 THR A 89 -14.071 8.596 16.879 1.00 35.32 H new ATOM 0 HG22 THR A 89 -14.038 10.199 16.107 1.00 35.32 H new ATOM 0 HG23 THR A 89 -14.775 8.818 15.260 1.00 35.32 H new ATOM 1396 N THR A 90 -11.271 11.541 13.312 1.00 53.34 N ATOM 1397 CA THR A 90 -10.810 12.916 13.451 1.00 64.10 C ATOM 1398 C THR A 90 -10.124 13.133 14.795 1.00 11.52 C ATOM 1399 O THR A 90 -10.743 13.606 15.748 1.00 4.22 O ATOM 1400 CB THR A 90 -11.975 13.916 13.314 1.00 4.33 C ATOM 1401 OG1 THR A 90 -12.870 13.486 12.283 1.00 0.33 O ATOM 1402 CG2 THR A 90 -11.457 15.310 12.994 1.00 44.52 C ATOM 0 H THR A 90 -10.946 11.071 12.467 1.00 53.34 H new ATOM 0 HA THR A 90 -10.094 13.092 12.648 1.00 64.10 H new ATOM 0 HB THR A 90 -12.507 13.953 14.265 1.00 4.33 H new ATOM 0 HG1 THR A 90 -13.410 14.246 11.981 1.00 0.33 H new ATOM 0 HG21 THR A 90 -12.297 15.998 12.902 1.00 44.52 H new ATOM 0 HG22 THR A 90 -10.799 15.646 13.795 1.00 44.52 H new ATOM 0 HG23 THR A 90 -10.903 15.286 12.055 1.00 44.52 H new ATOM 1410 N SER A 91 -8.844 12.785 14.864 1.00 52.22 N ATOM 1411 CA SER A 91 -8.075 12.939 16.094 1.00 23.32 C ATOM 1412 C SER A 91 -6.588 13.087 15.788 1.00 73.34 C ATOM 1413 O SER A 91 -5.779 12.202 16.069 1.00 65.30 O ATOM 1414 CB SER A 91 -8.301 11.740 17.015 1.00 10.52 C ATOM 1415 OG SER A 91 -8.091 12.092 18.372 1.00 22.30 O ATOM 0 H SER A 91 -8.317 12.394 14.083 1.00 52.22 H new ATOM 0 HA SER A 91 -8.417 13.843 16.597 1.00 23.32 H new ATOM 0 HB2 SER A 91 -9.316 11.365 16.886 1.00 10.52 H new ATOM 0 HB3 SER A 91 -7.625 10.931 16.737 1.00 10.52 H new ATOM 0 HG SER A 91 -8.243 11.308 18.941 1.00 22.30 H new ATOM 1421 N PRO A 92 -6.216 14.233 15.199 1.00 60.30 N ATOM 1422 CA PRO A 92 -4.825 14.526 14.843 1.00 30.11 C ATOM 1423 C PRO A 92 -3.950 14.759 16.070 1.00 60.04 C ATOM 1424 O PRO A 92 -4.290 15.554 16.946 1.00 32.42 O ATOM 1425 CB PRO A 92 -4.933 15.807 14.013 1.00 33.35 C ATOM 1426 CG PRO A 92 -6.192 16.455 14.477 1.00 55.04 C ATOM 1427 CD PRO A 92 -7.126 15.333 14.836 1.00 64.13 C ATOM 0 HA PRO A 92 -4.357 13.697 14.313 1.00 30.11 H new ATOM 0 HB2 PRO A 92 -4.072 16.456 14.173 1.00 33.35 H new ATOM 0 HB3 PRO A 92 -4.972 15.585 12.946 1.00 33.35 H new ATOM 0 HG2 PRO A 92 -6.006 17.098 15.337 1.00 55.04 H new ATOM 0 HG3 PRO A 92 -6.619 17.083 13.695 1.00 55.04 H new ATOM 0 HD2 PRO A 92 -7.779 15.604 15.665 1.00 64.13 H new ATOM 0 HD3 PRO A 92 -7.769 15.062 13.999 1.00 64.13 H new ATOM 1435 N HIS A 93 -2.819 14.060 16.127 1.00 62.43 N ATOM 1436 CA HIS A 93 -1.895 14.193 17.247 1.00 33.42 C ATOM 1437 C HIS A 93 -0.976 15.396 17.053 1.00 14.13 C ATOM 1438 O HIS A 93 0.085 15.286 16.441 1.00 3.43 O ATOM 1439 CB HIS A 93 -1.061 12.920 17.400 1.00 33.41 C ATOM 1440 CG HIS A 93 -0.399 12.795 18.737 1.00 64.35 C ATOM 1441 ND1 HIS A 93 0.474 13.738 19.235 1.00 62.41 N ATOM 1442 CD2 HIS A 93 -0.488 11.831 19.683 1.00 34.41 C ATOM 1443 CE1 HIS A 93 0.895 13.359 20.429 1.00 44.51 C ATOM 1444 NE2 HIS A 93 0.326 12.205 20.724 1.00 24.32 N ATOM 0 H HIS A 93 -2.522 13.397 15.411 1.00 62.43 H new ATOM 0 HA HIS A 93 -2.480 14.347 18.153 1.00 33.42 H new ATOM 0 HB2 HIS A 93 -1.703 12.054 17.239 1.00 33.41 H new ATOM 0 HB3 HIS A 93 -0.297 12.900 16.622 1.00 33.41 H new ATOM 0 HD2 HIS A 93 -1.088 10.934 19.629 1.00 34.41 H new ATOM 0 HE1 HIS A 93 1.587 13.901 21.057 1.00 44.51 H new ATOM 0 HE2 HIS A 93 0.468 11.677 21.585 1.00 24.32 H new ATOM 1452 N SER A 94 -1.393 16.542 17.581 1.00 52.11 N ATOM 1453 CA SER A 94 -0.609 17.767 17.463 1.00 70.32 C ATOM 1454 C SER A 94 -0.996 18.766 18.550 1.00 14.44 C ATOM 1455 O SER A 94 -1.964 18.561 19.281 1.00 10.43 O ATOM 1456 CB SER A 94 -0.811 18.394 16.082 1.00 51.10 C ATOM 1457 OG SER A 94 0.406 18.434 15.358 1.00 3.42 O ATOM 0 H SER A 94 -2.268 16.649 18.094 1.00 52.11 H new ATOM 0 HA SER A 94 0.443 17.511 17.588 1.00 70.32 H new ATOM 0 HB2 SER A 94 -1.551 17.821 15.524 1.00 51.10 H new ATOM 0 HB3 SER A 94 -1.206 19.404 16.192 1.00 51.10 H new ATOM 0 HG SER A 94 0.250 18.837 14.478 1.00 3.42 H new ATOM 1463 N GLY A 95 -0.231 19.850 18.648 1.00 21.35 N ATOM 1464 CA GLY A 95 -0.508 20.864 19.647 1.00 44.10 C ATOM 1465 C GLY A 95 0.469 20.822 20.804 1.00 74.11 C ATOM 1466 O GLY A 95 0.066 20.716 21.962 1.00 73.43 O ATOM 0 H GLY A 95 0.575 20.043 18.053 1.00 21.35 H new ATOM 0 HA2 GLY A 95 -0.471 21.848 19.180 1.00 44.10 H new ATOM 0 HA3 GLY A 95 -1.521 20.729 20.026 1.00 44.10 H new ATOM 1470 N GLN A 96 1.759 20.902 20.491 1.00 10.41 N ATOM 1471 CA GLN A 96 2.797 20.869 21.514 1.00 71.33 C ATOM 1472 C GLN A 96 3.287 22.276 21.839 1.00 34.40 C ATOM 1473 O GLN A 96 3.444 22.637 23.005 1.00 15.22 O ATOM 1474 CB GLN A 96 3.970 20.002 21.053 1.00 73.40 C ATOM 1475 CG GLN A 96 4.776 19.412 22.198 1.00 74.35 C ATOM 1476 CD GLN A 96 4.448 17.953 22.454 1.00 20.51 C ATOM 1477 OE1 GLN A 96 4.099 17.571 23.571 1.00 20.51 O ATOM 1478 NE2 GLN A 96 4.556 17.132 21.417 1.00 12.22 N ATOM 0 H GLN A 96 2.110 20.990 19.537 1.00 10.41 H new ATOM 0 HA GLN A 96 2.367 20.436 22.417 1.00 71.33 H new ATOM 0 HB2 GLN A 96 3.590 19.191 20.432 1.00 73.40 H new ATOM 0 HB3 GLN A 96 4.630 20.602 20.426 1.00 73.40 H new ATOM 0 HG2 GLN A 96 5.839 19.508 21.976 1.00 74.35 H new ATOM 0 HG3 GLN A 96 4.587 19.987 23.104 1.00 74.35 H new ATOM 0 HE21 GLN A 96 4.849 17.493 20.509 1.00 12.22 H new ATOM 0 HE22 GLN A 96 4.346 16.140 21.528 1.00 12.22 H new ATOM 1487 N LYS A 97 3.526 23.068 20.798 1.00 3.33 N ATOM 1488 CA LYS A 97 3.997 24.437 20.972 1.00 3.12 C ATOM 1489 C LYS A 97 2.992 25.434 20.403 1.00 51.43 C ATOM 1490 O LYS A 97 3.188 25.976 19.314 1.00 55.44 O ATOM 1491 CB LYS A 97 5.356 24.621 20.291 1.00 25.30 C ATOM 1492 CG LYS A 97 6.533 24.248 21.174 1.00 72.12 C ATOM 1493 CD LYS A 97 7.495 23.314 20.456 1.00 72.33 C ATOM 1494 CE LYS A 97 8.925 23.517 20.929 1.00 74.13 C ATOM 1495 NZ LYS A 97 9.701 24.379 19.994 1.00 13.31 N ATOM 0 H LYS A 97 3.401 22.785 19.826 1.00 3.33 H new ATOM 0 HA LYS A 97 4.104 24.625 22.040 1.00 3.12 H new ATOM 0 HB2 LYS A 97 5.385 24.014 19.386 1.00 25.30 H new ATOM 0 HB3 LYS A 97 5.460 25.661 19.981 1.00 25.30 H new ATOM 0 HG2 LYS A 97 7.061 25.151 21.479 1.00 72.12 H new ATOM 0 HG3 LYS A 97 6.170 23.769 22.083 1.00 72.12 H new ATOM 0 HD2 LYS A 97 7.197 22.280 20.629 1.00 72.33 H new ATOM 0 HD3 LYS A 97 7.438 23.487 19.381 1.00 72.33 H new ATOM 0 HE2 LYS A 97 8.919 23.970 21.920 1.00 74.13 H new ATOM 0 HE3 LYS A 97 9.417 22.549 21.024 1.00 74.13 H new ATOM 0 HZ1 LYS A 97 10.671 24.494 20.351 1.00 13.31 H new ATOM 0 HZ2 LYS A 97 9.729 23.935 19.054 1.00 13.31 H new ATOM 0 HZ3 LYS A 97 9.246 25.311 19.923 1.00 13.31 H new ATOM 1509 N THR A 98 1.917 25.673 21.147 1.00 53.15 N ATOM 1510 CA THR A 98 0.882 26.605 20.717 1.00 52.21 C ATOM 1511 C THR A 98 1.466 27.984 20.435 1.00 33.53 C ATOM 1512 O THR A 98 2.422 28.408 21.083 1.00 23.30 O ATOM 1513 CB THR A 98 -0.229 26.738 21.774 1.00 34.33 C ATOM 1514 OG1 THR A 98 0.271 26.357 23.061 1.00 75.54 O ATOM 1515 CG2 THR A 98 -1.427 25.871 21.414 1.00 31.14 C ATOM 0 H THR A 98 1.740 25.234 22.051 1.00 53.15 H new ATOM 0 HA THR A 98 0.454 26.200 19.800 1.00 52.21 H new ATOM 0 HB THR A 98 -0.549 27.779 21.802 1.00 34.33 H new ATOM 0 HG1 THR A 98 -0.441 26.446 23.728 1.00 75.54 H new ATOM 0 HG21 THR A 98 -2.199 25.982 22.176 1.00 31.14 H new ATOM 0 HG22 THR A 98 -1.824 26.182 20.448 1.00 31.14 H new ATOM 0 HG23 THR A 98 -1.118 24.827 21.360 1.00 31.14 H new ATOM 1523 N GLY A 99 0.886 28.681 19.463 1.00 2.33 N ATOM 1524 CA GLY A 99 1.363 30.006 19.113 1.00 43.31 C ATOM 1525 C GLY A 99 1.143 31.013 20.223 1.00 74.10 C ATOM 1526 O GLY A 99 0.144 30.913 20.934 1.00 11.42 O ATOM 0 H GLY A 99 0.094 28.351 18.911 1.00 2.33 H new ATOM 0 HA2 GLY A 99 2.426 29.956 18.878 1.00 43.31 H new ATOM 0 HA3 GLY A 99 0.853 30.346 18.212 1.00 43.31 H new TER 1530 GLY A 99 ATOM 1531 N MET B 1 10.023 32.952 -6.226 1.00 51.11 N ATOM 1532 CA MET B 1 10.286 33.836 -7.356 1.00 63.42 C ATOM 1533 C MET B 1 11.503 34.715 -7.086 1.00 24.41 C ATOM 1534 O MET B 1 12.261 35.039 -8.000 1.00 25.51 O ATOM 1535 CB MET B 1 9.063 34.711 -7.643 1.00 75.14 C ATOM 1536 CG MET B 1 7.894 33.944 -8.238 1.00 44.22 C ATOM 1537 SD MET B 1 6.449 34.987 -8.516 1.00 21.25 S ATOM 1538 CE MET B 1 5.631 34.086 -9.831 1.00 23.32 C ATOM 0 H1 MET B 1 9.341 32.220 -6.510 1.00 51.11 H new ATOM 0 H2 MET B 1 10.910 32.501 -5.924 1.00 51.11 H new ATOM 0 H3 MET B 1 9.630 33.504 -5.437 1.00 51.11 H new ATOM 0 HA MET B 1 10.493 33.217 -8.229 1.00 63.42 H new ATOM 0 HB2 MET B 1 8.741 35.187 -6.717 1.00 75.14 H new ATOM 0 HB3 MET B 1 9.350 35.509 -8.328 1.00 75.14 H new ATOM 0 HG2 MET B 1 8.201 33.496 -9.183 1.00 44.22 H new ATOM 0 HG3 MET B 1 7.624 33.126 -7.571 1.00 44.22 H new ATOM 0 HE1 MET B 1 4.717 34.607 -10.115 1.00 23.32 H new ATOM 0 HE2 MET B 1 6.294 34.020 -10.694 1.00 23.32 H new ATOM 0 HE3 MET B 1 5.384 33.082 -9.485 1.00 23.32 H new ATOM 1548 N SER B 2 11.683 35.099 -5.826 1.00 52.41 N ATOM 1549 CA SER B 2 12.805 35.944 -5.438 1.00 52.31 C ATOM 1550 C SER B 2 14.036 35.101 -5.119 1.00 72.12 C ATOM 1551 O SER B 2 15.109 35.313 -5.682 1.00 1.24 O ATOM 1552 CB SER B 2 12.431 36.800 -4.226 1.00 33.21 C ATOM 1553 OG SER B 2 12.110 35.989 -3.109 1.00 21.32 O ATOM 0 H SER B 2 11.066 34.838 -5.057 1.00 52.41 H new ATOM 0 HA SER B 2 13.042 36.598 -6.277 1.00 52.31 H new ATOM 0 HB2 SER B 2 13.260 37.461 -3.973 1.00 33.21 H new ATOM 0 HB3 SER B 2 11.581 37.436 -4.474 1.00 33.21 H new ATOM 0 HG SER B 2 11.923 36.559 -2.334 1.00 21.32 H new ATOM 1559 N ASN B 3 13.870 34.143 -4.213 1.00 61.32 N ATOM 1560 CA ASN B 3 14.967 33.267 -3.818 1.00 34.05 C ATOM 1561 C ASN B 3 14.908 31.946 -4.577 1.00 13.43 C ATOM 1562 O ASN B 3 13.879 31.270 -4.591 1.00 63.53 O ATOM 1563 CB ASN B 3 14.920 33.005 -2.311 1.00 35.42 C ATOM 1564 CG ASN B 3 15.432 34.182 -1.503 1.00 24.34 C ATOM 1565 OD1 ASN B 3 14.652 34.949 -0.939 1.00 34.54 O ATOM 1566 ND2 ASN B 3 16.751 34.330 -1.444 1.00 22.22 N ATOM 0 H ASN B 3 12.987 33.954 -3.739 1.00 61.32 H new ATOM 0 HA ASN B 3 15.904 33.766 -4.065 1.00 34.05 H new ATOM 0 HB2 ASN B 3 13.895 32.784 -2.015 1.00 35.42 H new ATOM 0 HB3 ASN B 3 15.516 32.122 -2.080 1.00 35.42 H new ATOM 0 HD21 ASN B 3 17.154 35.104 -0.915 1.00 22.22 H new ATOM 0 HD22 ASN B 3 17.360 33.670 -1.927 1.00 22.22 H new ATOM 1573 N THR B 4 16.020 31.582 -5.209 1.00 72.34 N ATOM 1574 CA THR B 4 16.096 30.342 -5.971 1.00 42.42 C ATOM 1575 C THR B 4 15.824 29.134 -5.083 1.00 52.45 C ATOM 1576 O THR B 4 15.875 29.229 -3.856 1.00 62.33 O ATOM 1577 CB THR B 4 17.475 30.176 -6.638 1.00 14.31 C ATOM 1578 OG1 THR B 4 18.117 31.449 -6.758 1.00 24.44 O ATOM 1579 CG2 THR B 4 17.336 29.541 -8.013 1.00 44.11 C ATOM 0 H THR B 4 16.881 32.129 -5.208 1.00 72.34 H new ATOM 0 HA THR B 4 15.331 30.399 -6.746 1.00 42.42 H new ATOM 0 HB THR B 4 18.082 29.522 -6.012 1.00 14.31 H new ATOM 0 HG1 THR B 4 18.993 31.335 -7.181 1.00 24.44 H new ATOM 0 HG21 THR B 4 18.322 29.433 -8.465 1.00 44.11 H new ATOM 0 HG22 THR B 4 16.872 28.559 -7.915 1.00 44.11 H new ATOM 0 HG23 THR B 4 16.714 30.175 -8.645 1.00 44.11 H new ATOM 1587 N ILE B 5 15.538 27.997 -5.709 1.00 72.43 N ATOM 1588 CA ILE B 5 15.262 26.770 -4.975 1.00 60.40 C ATOM 1589 C ILE B 5 16.402 26.429 -4.022 1.00 73.52 C ATOM 1590 O ILE B 5 16.178 26.112 -2.855 1.00 14.01 O ATOM 1591 CB ILE B 5 15.032 25.582 -5.928 1.00 41.35 C ATOM 1592 CG1 ILE B 5 13.852 25.868 -6.859 1.00 41.00 C ATOM 1593 CG2 ILE B 5 14.792 24.305 -5.137 1.00 64.43 C ATOM 1594 CD1 ILE B 5 13.992 25.235 -8.225 1.00 71.13 C ATOM 0 H ILE B 5 15.492 27.901 -6.723 1.00 72.43 H new ATOM 0 HA ILE B 5 14.352 26.946 -4.401 1.00 60.40 H new ATOM 0 HB ILE B 5 15.926 25.446 -6.536 1.00 41.35 H new ATOM 0 HG12 ILE B 5 12.936 25.506 -6.392 1.00 41.00 H new ATOM 0 HG13 ILE B 5 13.746 26.946 -6.977 1.00 41.00 H new ATOM 0 HG21 ILE B 5 14.631 23.475 -5.825 1.00 64.43 H new ATOM 0 HG22 ILE B 5 15.660 24.095 -4.512 1.00 64.43 H new ATOM 0 HG23 ILE B 5 13.912 24.428 -4.506 1.00 64.43 H new ATOM 0 HD11 ILE B 5 13.120 25.480 -8.831 1.00 71.13 H new ATOM 0 HD12 ILE B 5 14.890 25.615 -8.712 1.00 71.13 H new ATOM 0 HD13 ILE B 5 14.067 24.153 -8.119 1.00 71.13 H new ATOM 1606 N SER B 6 17.629 26.497 -4.530 1.00 1.32 N ATOM 1607 CA SER B 6 18.807 26.195 -3.725 1.00 35.53 C ATOM 1608 C SER B 6 18.861 27.081 -2.485 1.00 22.31 C ATOM 1609 O SER B 6 19.478 26.726 -1.481 1.00 0.21 O ATOM 1610 CB SER B 6 20.079 26.382 -4.555 1.00 41.32 C ATOM 1611 OG SER B 6 20.743 27.585 -4.206 1.00 21.35 O ATOM 0 H SER B 6 17.833 26.758 -5.495 1.00 1.32 H new ATOM 0 HA SER B 6 18.740 25.156 -3.404 1.00 35.53 H new ATOM 0 HB2 SER B 6 20.747 25.535 -4.398 1.00 41.32 H new ATOM 0 HB3 SER B 6 19.826 26.397 -5.615 1.00 41.32 H new ATOM 0 HG SER B 6 21.409 27.401 -3.511 1.00 21.35 H new ATOM 1617 N GLU B 7 18.209 28.237 -2.563 1.00 32.11 N ATOM 1618 CA GLU B 7 18.183 29.175 -1.446 1.00 62.35 C ATOM 1619 C GLU B 7 17.124 28.774 -0.423 1.00 42.41 C ATOM 1620 O GLU B 7 17.200 29.149 0.747 1.00 11.21 O ATOM 1621 CB GLU B 7 17.908 30.594 -1.949 1.00 23.21 C ATOM 1622 CG GLU B 7 19.134 31.492 -1.933 1.00 1.43 C ATOM 1623 CD GLU B 7 19.617 31.793 -0.527 1.00 1.34 C ATOM 1624 OE1 GLU B 7 18.776 31.821 0.396 1.00 2.32 O ATOM 1625 OE2 GLU B 7 20.835 32.001 -0.351 1.00 64.22 O ATOM 0 H GLU B 7 17.693 28.546 -3.386 1.00 32.11 H new ATOM 0 HA GLU B 7 19.159 29.151 -0.962 1.00 62.35 H new ATOM 0 HB2 GLU B 7 17.519 30.541 -2.966 1.00 23.21 H new ATOM 0 HB3 GLU B 7 17.130 31.045 -1.333 1.00 23.21 H new ATOM 0 HG2 GLU B 7 19.937 31.015 -2.495 1.00 1.43 H new ATOM 0 HG3 GLU B 7 18.901 32.428 -2.442 1.00 1.43 H new ATOM 1632 N LYS B 8 16.135 28.007 -0.873 1.00 33.03 N ATOM 1633 CA LYS B 8 15.061 27.553 0.002 1.00 74.20 C ATOM 1634 C LYS B 8 15.467 26.287 0.750 1.00 72.42 C ATOM 1635 O LYS B 8 14.665 25.703 1.481 1.00 55.43 O ATOM 1636 CB LYS B 8 13.790 27.292 -0.811 1.00 61.22 C ATOM 1637 CG LYS B 8 13.541 28.324 -1.898 1.00 10.12 C ATOM 1638 CD LYS B 8 12.103 28.285 -2.385 1.00 72.53 C ATOM 1639 CE LYS B 8 11.393 29.607 -2.135 1.00 74.45 C ATOM 1640 NZ LYS B 8 10.592 30.039 -3.313 1.00 44.13 N ATOM 0 H LYS B 8 16.056 27.687 -1.838 1.00 33.03 H new ATOM 0 HA LYS B 8 14.864 28.338 0.732 1.00 74.20 H new ATOM 0 HB2 LYS B 8 13.857 26.305 -1.268 1.00 61.22 H new ATOM 0 HB3 LYS B 8 12.934 27.274 -0.136 1.00 61.22 H new ATOM 0 HG2 LYS B 8 13.770 29.319 -1.516 1.00 10.12 H new ATOM 0 HG3 LYS B 8 14.215 28.142 -2.735 1.00 10.12 H new ATOM 0 HD2 LYS B 8 12.085 28.057 -3.451 1.00 72.53 H new ATOM 0 HD3 LYS B 8 11.568 27.482 -1.878 1.00 72.53 H new ATOM 0 HE2 LYS B 8 10.740 29.510 -1.268 1.00 74.45 H new ATOM 0 HE3 LYS B 8 12.129 30.375 -1.895 1.00 74.45 H new ATOM 0 HZ1 LYS B 8 10.124 30.944 -3.102 1.00 44.13 H new ATOM 0 HZ2 LYS B 8 11.219 30.157 -4.135 1.00 44.13 H new ATOM 0 HZ3 LYS B 8 9.873 29.319 -3.527 1.00 44.13 H new ATOM 1654 N ILE B 9 16.714 25.868 0.563 1.00 12.54 N ATOM 1655 CA ILE B 9 17.225 24.673 1.223 1.00 14.12 C ATOM 1656 C ILE B 9 18.455 24.994 2.065 1.00 2.44 C ATOM 1657 O ILE B 9 18.986 24.129 2.761 1.00 32.42 O ATOM 1658 CB ILE B 9 17.587 23.578 0.201 1.00 61.41 C ATOM 1659 CG1 ILE B 9 16.479 23.439 -0.844 1.00 2.42 C ATOM 1660 CG2 ILE B 9 17.825 22.253 0.909 1.00 21.54 C ATOM 1661 CD1 ILE B 9 16.767 22.388 -1.893 1.00 4.43 C ATOM 0 H ILE B 9 17.389 26.338 -0.040 1.00 12.54 H new ATOM 0 HA ILE B 9 16.430 24.305 1.872 1.00 14.12 H new ATOM 0 HB ILE B 9 18.506 23.866 -0.309 1.00 61.41 H new ATOM 0 HG12 ILE B 9 15.545 23.192 -0.340 1.00 2.42 H new ATOM 0 HG13 ILE B 9 16.331 24.401 -1.336 1.00 2.42 H new ATOM 0 HG21 ILE B 9 18.080 21.489 0.175 1.00 21.54 H new ATOM 0 HG22 ILE B 9 18.645 22.362 1.619 1.00 21.54 H new ATOM 0 HG23 ILE B 9 16.921 21.957 1.441 1.00 21.54 H new ATOM 0 HD11 ILE B 9 15.939 22.344 -2.601 1.00 4.43 H new ATOM 0 HD12 ILE B 9 17.684 22.645 -2.423 1.00 4.43 H new ATOM 0 HD13 ILE B 9 16.885 21.417 -1.412 1.00 4.43 H new ATOM 1673 N VAL B 10 18.901 26.244 1.998 1.00 31.43 N ATOM 1674 CA VAL B 10 20.067 26.681 2.757 1.00 4.14 C ATOM 1675 C VAL B 10 19.654 27.481 3.988 1.00 20.24 C ATOM 1676 O VAL B 10 20.253 27.352 5.056 1.00 25.00 O ATOM 1677 CB VAL B 10 21.010 27.539 1.894 1.00 14.00 C ATOM 1678 CG1 VAL B 10 21.585 26.715 0.751 1.00 0.51 C ATOM 1679 CG2 VAL B 10 20.280 28.764 1.364 1.00 13.31 C ATOM 0 H VAL B 10 18.473 26.972 1.426 1.00 31.43 H new ATOM 0 HA VAL B 10 20.594 25.781 3.072 1.00 4.14 H new ATOM 0 HB VAL B 10 21.837 27.879 2.518 1.00 14.00 H new ATOM 0 HG11 VAL B 10 22.249 27.338 0.152 1.00 0.51 H new ATOM 0 HG12 VAL B 10 22.145 25.872 1.156 1.00 0.51 H new ATOM 0 HG13 VAL B 10 20.773 26.344 0.126 1.00 0.51 H new ATOM 0 HG21 VAL B 10 20.962 29.359 0.756 1.00 13.31 H new ATOM 0 HG22 VAL B 10 19.433 28.448 0.755 1.00 13.31 H new ATOM 0 HG23 VAL B 10 19.922 29.364 2.200 1.00 13.31 H new ATOM 1689 N LEU B 11 18.626 28.309 3.830 1.00 4.44 N ATOM 1690 CA LEU B 11 18.131 29.131 4.929 1.00 2.34 C ATOM 1691 C LEU B 11 17.499 28.266 6.015 1.00 45.43 C ATOM 1692 O LEU B 11 17.613 28.563 7.203 1.00 75.44 O ATOM 1693 CB LEU B 11 17.111 30.147 4.412 1.00 4.21 C ATOM 1694 CG LEU B 11 15.967 29.580 3.569 1.00 62.10 C ATOM 1695 CD1 LEU B 11 14.810 29.154 4.458 1.00 1.11 C ATOM 1696 CD2 LEU B 11 15.504 30.603 2.542 1.00 42.24 C ATOM 0 H LEU B 11 18.120 28.429 2.952 1.00 4.44 H new ATOM 0 HA LEU B 11 18.978 29.663 5.362 1.00 2.34 H new ATOM 0 HB2 LEU B 11 16.682 30.668 5.268 1.00 4.21 H new ATOM 0 HB3 LEU B 11 17.639 30.892 3.817 1.00 4.21 H new ATOM 0 HG LEU B 11 16.333 28.701 3.038 1.00 62.10 H new ATOM 0 HD11 LEU B 11 14.006 28.753 3.841 1.00 1.11 H new ATOM 0 HD12 LEU B 11 15.149 28.387 5.155 1.00 1.11 H new ATOM 0 HD13 LEU B 11 14.444 30.015 5.017 1.00 1.11 H new ATOM 0 HD21 LEU B 11 14.690 30.183 1.951 1.00 42.24 H new ATOM 0 HD22 LEU B 11 15.156 31.500 3.054 1.00 42.24 H new ATOM 0 HD23 LEU B 11 16.334 30.860 1.884 1.00 42.24 H new ATOM 1708 N MET B 12 16.834 27.193 5.597 1.00 15.32 N ATOM 1709 CA MET B 12 16.188 26.282 6.534 1.00 4.44 C ATOM 1710 C MET B 12 17.178 25.246 7.057 1.00 75.53 C ATOM 1711 O MET B 12 16.974 24.661 8.121 1.00 31.24 O ATOM 1712 CB MET B 12 15.004 25.582 5.865 1.00 24.25 C ATOM 1713 CG MET B 12 15.321 25.045 4.479 1.00 13.14 C ATOM 1714 SD MET B 12 14.437 23.519 4.105 1.00 25.25 S ATOM 1715 CE MET B 12 15.795 22.356 4.007 1.00 64.33 C ATOM 0 H MET B 12 16.729 26.934 4.616 1.00 15.32 H new ATOM 0 HA MET B 12 15.824 26.868 7.378 1.00 4.44 H new ATOM 0 HB2 MET B 12 14.674 24.758 6.498 1.00 24.25 H new ATOM 0 HB3 MET B 12 14.172 26.282 5.793 1.00 24.25 H new ATOM 0 HG2 MET B 12 15.066 25.799 3.735 1.00 13.14 H new ATOM 0 HG3 MET B 12 16.394 24.868 4.399 1.00 13.14 H new ATOM 0 HE1 MET B 12 15.503 21.506 3.390 1.00 64.33 H new ATOM 0 HE2 MET B 12 16.662 22.846 3.563 1.00 64.33 H new ATOM 0 HE3 MET B 12 16.048 22.007 5.008 1.00 64.33 H new ATOM 1725 N ARG B 13 18.248 25.023 6.302 1.00 31.24 N ATOM 1726 CA ARG B 13 19.268 24.056 6.688 1.00 74.51 C ATOM 1727 C ARG B 13 20.107 24.584 7.848 1.00 20.12 C ATOM 1728 O ARG B 13 20.370 23.869 8.815 1.00 41.34 O ATOM 1729 CB ARG B 13 20.171 23.732 5.497 1.00 32.34 C ATOM 1730 CG ARG B 13 21.392 22.904 5.865 1.00 45.45 C ATOM 1731 CD ARG B 13 22.299 22.684 4.664 1.00 63.05 C ATOM 1732 NE ARG B 13 23.711 22.716 5.033 1.00 42.01 N ATOM 1733 CZ ARG B 13 24.401 23.838 5.205 1.00 41.31 C ATOM 1734 NH1 ARG B 13 23.810 25.014 5.044 1.00 23.35 N ATOM 1735 NH2 ARG B 13 25.684 23.785 5.540 1.00 12.23 N ATOM 0 H ARG B 13 18.431 25.499 5.419 1.00 31.24 H new ATOM 0 HA ARG B 13 18.765 23.145 7.012 1.00 74.51 H new ATOM 0 HB2 ARG B 13 19.590 23.194 4.748 1.00 32.34 H new ATOM 0 HB3 ARG B 13 20.500 24.664 5.037 1.00 32.34 H new ATOM 0 HG2 ARG B 13 21.949 23.407 6.656 1.00 45.45 H new ATOM 0 HG3 ARG B 13 21.073 21.941 6.263 1.00 45.45 H new ATOM 0 HD2 ARG B 13 22.066 21.723 4.205 1.00 63.05 H new ATOM 0 HD3 ARG B 13 22.102 23.452 3.915 1.00 63.05 H new ATOM 0 HE ARG B 13 24.194 21.828 5.166 1.00 42.01 H new ATOM 0 HH11 ARG B 13 22.824 25.058 4.788 1.00 23.35 H new ATOM 0 HH12 ARG B 13 24.342 25.874 5.177 1.00 23.35 H new ATOM 0 HH21 ARG B 13 26.141 22.882 5.666 1.00 12.23 H new ATOM 0 HH22 ARG B 13 26.213 24.647 5.672 1.00 12.23 H new ATOM 1749 N LYS B 14 20.526 25.841 7.743 1.00 12.22 N ATOM 1750 CA LYS B 14 21.335 26.467 8.782 1.00 65.30 C ATOM 1751 C LYS B 14 20.547 26.597 10.081 1.00 55.42 C ATOM 1752 O LYS B 14 21.125 26.664 11.166 1.00 72.04 O ATOM 1753 CB LYS B 14 21.813 27.846 8.323 1.00 13.55 C ATOM 1754 CG LYS B 14 23.229 27.848 7.774 1.00 13.50 C ATOM 1755 CD LYS B 14 23.239 27.895 6.255 1.00 31.23 C ATOM 1756 CE LYS B 14 22.707 29.222 5.735 1.00 22.12 C ATOM 1757 NZ LYS B 14 23.700 29.917 4.871 1.00 72.34 N ATOM 0 H LYS B 14 20.318 26.446 6.949 1.00 12.22 H new ATOM 0 HA LYS B 14 22.201 25.831 8.965 1.00 65.30 H new ATOM 0 HB2 LYS B 14 21.135 28.220 7.556 1.00 13.55 H new ATOM 0 HB3 LYS B 14 21.757 28.539 9.163 1.00 13.55 H new ATOM 0 HG2 LYS B 14 23.772 28.707 8.169 1.00 13.50 H new ATOM 0 HG3 LYS B 14 23.753 26.955 8.115 1.00 13.50 H new ATOM 0 HD2 LYS B 14 24.255 27.742 5.892 1.00 31.23 H new ATOM 0 HD3 LYS B 14 22.633 27.079 5.861 1.00 31.23 H new ATOM 0 HE2 LYS B 14 21.791 29.050 5.170 1.00 22.12 H new ATOM 0 HE3 LYS B 14 22.446 29.864 6.577 1.00 22.12 H new ATOM 0 HZ1 LYS B 14 23.300 30.817 4.537 1.00 72.34 H new ATOM 0 HZ2 LYS B 14 24.565 30.104 5.418 1.00 72.34 H new ATOM 0 HZ3 LYS B 14 23.930 29.316 4.054 1.00 72.34 H new ATOM 1771 N SER B 15 19.223 26.631 9.964 1.00 70.12 N ATOM 1772 CA SER B 15 18.356 26.755 11.129 1.00 60.13 C ATOM 1773 C SER B 15 18.495 25.540 12.041 1.00 64.13 C ATOM 1774 O SER B 15 18.250 25.624 13.244 1.00 73.31 O ATOM 1775 CB SER B 15 16.898 26.914 10.692 1.00 63.31 C ATOM 1776 OG SER B 15 16.110 27.460 11.734 1.00 42.11 O ATOM 0 H SER B 15 18.728 26.574 9.074 1.00 70.12 H new ATOM 0 HA SER B 15 18.660 27.642 11.685 1.00 60.13 H new ATOM 0 HB2 SER B 15 16.846 27.560 9.816 1.00 63.31 H new ATOM 0 HB3 SER B 15 16.496 25.945 10.397 1.00 63.31 H new ATOM 0 HG SER B 15 15.162 27.406 11.490 1.00 42.11 H new ATOM 1782 N GLU B 16 18.888 24.412 11.459 1.00 40.41 N ATOM 1783 CA GLU B 16 19.060 23.179 12.220 1.00 13.44 C ATOM 1784 C GLU B 16 20.429 23.139 12.890 1.00 32.01 C ATOM 1785 O GLU B 16 20.696 22.281 13.731 1.00 23.44 O ATOM 1786 CB GLU B 16 18.890 21.963 11.307 1.00 54.12 C ATOM 1787 CG GLU B 16 18.117 20.824 11.948 1.00 50.43 C ATOM 1788 CD GLU B 16 18.483 20.617 13.405 1.00 43.22 C ATOM 1789 OE1 GLU B 16 19.443 19.866 13.675 1.00 51.44 O ATOM 1790 OE2 GLU B 16 17.810 21.207 14.275 1.00 35.53 O ATOM 0 H GLU B 16 19.093 24.326 10.464 1.00 40.41 H new ATOM 0 HA GLU B 16 18.295 23.151 12.996 1.00 13.44 H new ATOM 0 HB2 GLU B 16 18.377 22.272 10.396 1.00 54.12 H new ATOM 0 HB3 GLU B 16 19.875 21.601 11.011 1.00 54.12 H new ATOM 0 HG2 GLU B 16 17.049 21.026 11.871 1.00 50.43 H new ATOM 0 HG3 GLU B 16 18.308 19.904 11.395 1.00 50.43 H new ATOM 1797 N TYR B 17 21.295 24.074 12.511 1.00 34.32 N ATOM 1798 CA TYR B 17 22.639 24.144 13.072 1.00 12.14 C ATOM 1799 C TYR B 17 23.451 22.908 12.697 1.00 53.41 C ATOM 1800 O TYR B 17 24.448 22.586 13.345 1.00 71.22 O ATOM 1801 CB TYR B 17 22.572 24.282 14.594 1.00 12.25 C ATOM 1802 CG TYR B 17 21.581 25.323 15.065 1.00 11.31 C ATOM 1803 CD1 TYR B 17 21.761 26.668 14.762 1.00 4.33 C ATOM 1804 CD2 TYR B 17 20.468 24.963 15.813 1.00 24.11 C ATOM 1805 CE1 TYR B 17 20.859 27.622 15.190 1.00 21.33 C ATOM 1806 CE2 TYR B 17 19.560 25.912 16.243 1.00 12.34 C ATOM 1807 CZ TYR B 17 19.760 27.240 15.930 1.00 21.44 C ATOM 1808 OH TYR B 17 18.859 28.187 16.360 1.00 40.42 O ATOM 0 H TYR B 17 21.090 24.793 11.818 1.00 34.32 H new ATOM 0 HA TYR B 17 23.134 25.021 12.656 1.00 12.14 H new ATOM 0 HB2 TYR B 17 22.306 23.317 15.026 1.00 12.25 H new ATOM 0 HB3 TYR B 17 23.562 24.538 14.971 1.00 12.25 H new ATOM 0 HD1 TYR B 17 22.620 26.972 14.182 1.00 4.33 H new ATOM 0 HD2 TYR B 17 20.309 23.924 16.063 1.00 24.11 H new ATOM 0 HE1 TYR B 17 21.014 28.663 14.946 1.00 21.33 H new ATOM 0 HE2 TYR B 17 18.698 25.615 16.822 1.00 12.34 H new ATOM 0 HH TYR B 17 18.143 27.751 16.867 1.00 40.42 H new ATOM 1818 N LEU B 18 23.018 22.220 11.647 1.00 12.20 N ATOM 1819 CA LEU B 18 23.704 21.020 11.183 1.00 24.40 C ATOM 1820 C LEU B 18 24.658 21.345 10.039 1.00 52.21 C ATOM 1821 O LEU B 18 24.586 22.420 9.443 1.00 53.11 O ATOM 1822 CB LEU B 18 22.687 19.969 10.731 1.00 20.43 C ATOM 1823 CG LEU B 18 21.856 20.327 9.499 1.00 13.14 C ATOM 1824 CD1 LEU B 18 22.617 19.994 8.227 1.00 73.11 C ATOM 1825 CD2 LEU B 18 20.520 19.600 9.529 1.00 4.13 C ATOM 0 H LEU B 18 22.195 22.473 11.101 1.00 12.20 H new ATOM 0 HA LEU B 18 24.286 20.621 12.014 1.00 24.40 H new ATOM 0 HB2 LEU B 18 23.220 19.040 10.528 1.00 20.43 H new ATOM 0 HB3 LEU B 18 22.006 19.771 11.559 1.00 20.43 H new ATOM 0 HG LEU B 18 21.664 21.400 9.512 1.00 13.14 H new ATOM 0 HD11 LEU B 18 22.010 20.256 7.361 1.00 73.11 H new ATOM 0 HD12 LEU B 18 23.548 20.560 8.202 1.00 73.11 H new ATOM 0 HD13 LEU B 18 22.840 18.927 8.205 1.00 73.11 H new ATOM 0 HD21 LEU B 18 19.941 19.866 8.645 1.00 4.13 H new ATOM 0 HD22 LEU B 18 20.692 18.524 9.540 1.00 4.13 H new ATOM 0 HD23 LEU B 18 19.969 19.889 10.424 1.00 4.13 H new ATOM 1837 N SER B 19 25.552 20.409 9.735 1.00 12.41 N ATOM 1838 CA SER B 19 26.522 20.596 8.663 1.00 64.34 C ATOM 1839 C SER B 19 26.053 19.914 7.381 1.00 33.32 C ATOM 1840 O SER B 19 25.221 19.008 7.415 1.00 1.23 O ATOM 1841 CB SER B 19 27.886 20.044 9.078 1.00 15.24 C ATOM 1842 OG SER B 19 28.738 19.889 7.955 1.00 63.44 O ATOM 0 H SER B 19 25.624 19.513 10.217 1.00 12.41 H new ATOM 0 HA SER B 19 26.614 21.665 8.473 1.00 64.34 H new ATOM 0 HB2 SER B 19 28.349 20.717 9.800 1.00 15.24 H new ATOM 0 HB3 SER B 19 27.757 19.083 9.575 1.00 15.24 H new ATOM 0 HG SER B 19 29.604 19.536 8.248 1.00 63.44 H new ATOM 1848 N ARG B 20 26.595 20.356 6.251 1.00 0.34 N ATOM 1849 CA ARG B 20 26.233 19.790 4.957 1.00 13.34 C ATOM 1850 C ARG B 20 26.337 18.268 4.980 1.00 61.45 C ATOM 1851 O ARG B 20 25.512 17.571 4.391 1.00 32.35 O ATOM 1852 CB ARG B 20 27.133 20.358 3.858 1.00 32.01 C ATOM 1853 CG ARG B 20 26.595 20.135 2.454 1.00 12.30 C ATOM 1854 CD ARG B 20 26.957 21.286 1.529 1.00 43.42 C ATOM 1855 NE ARG B 20 28.367 21.264 1.153 1.00 33.34 N ATOM 1856 CZ ARG B 20 29.025 22.325 0.700 1.00 13.22 C ATOM 1857 NH1 ARG B 20 28.400 23.488 0.567 1.00 45.34 N ATOM 1858 NH2 ARG B 20 30.308 22.226 0.378 1.00 44.43 N ATOM 0 H ARG B 20 27.286 21.104 6.205 1.00 0.34 H new ATOM 0 HA ARG B 20 25.199 20.062 4.746 1.00 13.34 H new ATOM 0 HB2 ARG B 20 27.262 21.428 4.023 1.00 32.01 H new ATOM 0 HB3 ARG B 20 28.120 19.902 3.936 1.00 32.01 H new ATOM 0 HG2 ARG B 20 26.997 19.204 2.053 1.00 12.30 H new ATOM 0 HG3 ARG B 20 25.511 20.024 2.492 1.00 12.30 H new ATOM 0 HD2 ARG B 20 26.342 21.236 0.631 1.00 43.42 H new ATOM 0 HD3 ARG B 20 26.728 22.232 2.020 1.00 43.42 H new ATOM 0 HE ARG B 20 28.876 20.384 1.243 1.00 33.34 H new ATOM 0 HH11 ARG B 20 27.413 23.568 0.813 1.00 45.34 H new ATOM 0 HH12 ARG B 20 28.906 24.302 0.219 1.00 45.34 H new ATOM 0 HH21 ARG B 20 30.792 21.333 0.478 1.00 44.43 H new ATOM 0 HH22 ARG B 20 30.811 23.042 0.030 1.00 44.43 H new ATOM 1872 N GLN B 21 27.357 17.762 5.666 1.00 14.43 N ATOM 1873 CA GLN B 21 27.570 16.322 5.765 1.00 43.34 C ATOM 1874 C GLN B 21 26.519 15.677 6.662 1.00 62.14 C ATOM 1875 O GLN B 21 26.114 14.537 6.438 1.00 41.54 O ATOM 1876 CB GLN B 21 28.971 16.028 6.307 1.00 2.32 C ATOM 1877 CG GLN B 21 29.215 16.591 7.697 1.00 23.52 C ATOM 1878 CD GLN B 21 30.688 16.658 8.049 1.00 53.34 C ATOM 1879 OE1 GLN B 21 31.271 17.739 8.126 1.00 14.14 O ATOM 1880 NE2 GLN B 21 31.299 15.498 8.263 1.00 71.20 N ATOM 0 H GLN B 21 28.048 18.326 6.161 1.00 14.43 H new ATOM 0 HA GLN B 21 27.479 15.897 4.765 1.00 43.34 H new ATOM 0 HB2 GLN B 21 29.124 14.949 6.329 1.00 2.32 H new ATOM 0 HB3 GLN B 21 29.711 16.441 5.622 1.00 2.32 H new ATOM 0 HG2 GLN B 21 28.784 17.590 7.761 1.00 23.52 H new ATOM 0 HG3 GLN B 21 28.698 15.973 8.431 1.00 23.52 H new ATOM 0 HE21 GLN B 21 30.777 14.625 8.188 1.00 71.20 H new ATOM 0 HE22 GLN B 21 32.290 15.480 8.502 1.00 71.20 H new ATOM 1889 N GLN B 22 26.083 16.414 7.679 1.00 33.40 N ATOM 1890 CA GLN B 22 25.080 15.913 8.610 1.00 53.02 C ATOM 1891 C GLN B 22 23.773 15.603 7.888 1.00 53.44 C ATOM 1892 O GLN B 22 23.223 14.508 8.018 1.00 72.23 O ATOM 1893 CB GLN B 22 24.832 16.932 9.724 1.00 4.03 C ATOM 1894 CG GLN B 22 24.855 16.327 11.118 1.00 5.22 C ATOM 1895 CD GLN B 22 25.767 17.082 12.066 1.00 40.14 C ATOM 1896 OE1 GLN B 22 26.859 17.507 11.689 1.00 24.31 O ATOM 1897 NE2 GLN B 22 25.322 17.251 13.306 1.00 70.34 N ATOM 0 H GLN B 22 26.409 17.360 7.879 1.00 33.40 H new ATOM 0 HA GLN B 22 25.459 14.990 9.050 1.00 53.02 H new ATOM 0 HB2 GLN B 22 25.588 17.715 9.664 1.00 4.03 H new ATOM 0 HB3 GLN B 22 23.866 17.409 9.560 1.00 4.03 H new ATOM 0 HG2 GLN B 22 23.843 16.318 11.523 1.00 5.22 H new ATOM 0 HG3 GLN B 22 25.182 15.289 11.054 1.00 5.22 H new ATOM 0 HE21 GLN B 22 24.410 16.882 13.575 1.00 70.34 H new ATOM 0 HE22 GLN B 22 25.892 17.750 13.989 1.00 70.34 H new ATOM 1906 N LEU B 23 23.278 16.573 7.128 1.00 15.24 N ATOM 1907 CA LEU B 23 22.035 16.405 6.385 1.00 60.42 C ATOM 1908 C LEU B 23 22.198 15.368 5.277 1.00 74.31 C ATOM 1909 O LEU B 23 21.318 14.537 5.057 1.00 34.01 O ATOM 1910 CB LEU B 23 21.589 17.740 5.786 1.00 62.13 C ATOM 1911 CG LEU B 23 20.627 17.658 4.602 1.00 44.52 C ATOM 1912 CD1 LEU B 23 19.423 16.795 4.951 1.00 33.53 C ATOM 1913 CD2 LEU B 23 20.182 19.051 4.178 1.00 12.23 C ATOM 0 H LEU B 23 23.719 17.485 7.010 1.00 15.24 H new ATOM 0 HA LEU B 23 21.272 16.053 7.079 1.00 60.42 H new ATOM 0 HB2 LEU B 23 21.116 18.328 6.572 1.00 62.13 H new ATOM 0 HB3 LEU B 23 22.477 18.288 5.469 1.00 62.13 H new ATOM 0 HG LEU B 23 21.150 17.195 3.765 1.00 44.52 H new ATOM 0 HD11 LEU B 23 18.749 16.748 4.096 1.00 33.53 H new ATOM 0 HD12 LEU B 23 19.758 15.789 5.205 1.00 33.53 H new ATOM 0 HD13 LEU B 23 18.899 17.229 5.803 1.00 33.53 H new ATOM 0 HD21 LEU B 23 19.497 18.973 3.334 1.00 12.23 H new ATOM 0 HD22 LEU B 23 19.677 19.541 5.011 1.00 12.23 H new ATOM 0 HD23 LEU B 23 21.053 19.638 3.886 1.00 12.23 H new ATOM 1925 N ALA B 24 23.331 15.423 4.585 1.00 31.24 N ATOM 1926 CA ALA B 24 23.612 14.486 3.504 1.00 75.43 C ATOM 1927 C ALA B 24 23.492 13.043 3.983 1.00 63.14 C ATOM 1928 O ALA B 24 23.239 12.136 3.191 1.00 31.23 O ATOM 1929 CB ALA B 24 24.999 14.740 2.932 1.00 65.45 C ATOM 0 H ALA B 24 24.069 16.106 4.754 1.00 31.24 H new ATOM 0 HA ALA B 24 22.873 14.644 2.719 1.00 75.43 H new ATOM 0 HB1 ALA B 24 25.195 14.033 2.126 1.00 65.45 H new ATOM 0 HB2 ALA B 24 25.052 15.757 2.544 1.00 65.45 H new ATOM 0 HB3 ALA B 24 25.745 14.612 3.716 1.00 65.45 H new ATOM 1935 N ASP B 25 23.676 12.839 5.283 1.00 53.33 N ATOM 1936 CA ASP B 25 23.587 11.505 5.867 1.00 63.20 C ATOM 1937 C ASP B 25 22.208 11.270 6.476 1.00 41.34 C ATOM 1938 O ASP B 25 21.801 10.128 6.694 1.00 55.50 O ATOM 1939 CB ASP B 25 24.668 11.320 6.934 1.00 35.03 C ATOM 1940 CG ASP B 25 25.643 10.213 6.584 1.00 31.34 C ATOM 1941 OD1 ASP B 25 25.213 9.043 6.521 1.00 43.25 O ATOM 1942 OD2 ASP B 25 26.835 10.518 6.373 1.00 75.51 O ATOM 0 H ASP B 25 23.887 13.579 5.952 1.00 53.33 H new ATOM 0 HA ASP B 25 23.743 10.775 5.072 1.00 63.20 H new ATOM 0 HB2 ASP B 25 25.214 12.255 7.060 1.00 35.03 H new ATOM 0 HB3 ASP B 25 24.196 11.095 7.890 1.00 35.03 H new ATOM 1947 N LEU B 26 21.494 12.356 6.751 1.00 71.41 N ATOM 1948 CA LEU B 26 20.161 12.267 7.335 1.00 64.24 C ATOM 1949 C LEU B 26 19.124 11.910 6.276 1.00 43.13 C ATOM 1950 O LEU B 26 18.022 11.462 6.596 1.00 10.22 O ATOM 1951 CB LEU B 26 19.788 13.591 8.005 1.00 4.31 C ATOM 1952 CG LEU B 26 19.638 13.555 9.527 1.00 10.30 C ATOM 1953 CD1 LEU B 26 20.685 14.439 10.187 1.00 61.54 C ATOM 1954 CD2 LEU B 26 18.238 13.987 9.935 1.00 62.25 C ATOM 0 H LEU B 26 21.816 13.308 6.579 1.00 71.41 H new ATOM 0 HA LEU B 26 20.172 11.477 8.085 1.00 64.24 H new ATOM 0 HB2 LEU B 26 20.549 14.330 7.752 1.00 4.31 H new ATOM 0 HB3 LEU B 26 18.849 13.940 7.576 1.00 4.31 H new ATOM 0 HG LEU B 26 19.793 12.530 9.864 1.00 10.30 H new ATOM 0 HD11 LEU B 26 20.563 14.401 11.270 1.00 61.54 H new ATOM 0 HD12 LEU B 26 21.681 14.084 9.921 1.00 61.54 H new ATOM 0 HD13 LEU B 26 20.563 15.466 9.844 1.00 61.54 H new ATOM 0 HD21 LEU B 26 18.149 13.955 11.021 1.00 62.25 H new ATOM 0 HD22 LEU B 26 18.054 15.003 9.585 1.00 62.25 H new ATOM 0 HD23 LEU B 26 17.505 13.313 9.491 1.00 62.25 H new ATOM 1966 N THR B 27 19.485 12.108 5.012 1.00 72.41 N ATOM 1967 CA THR B 27 18.587 11.805 3.905 1.00 53.05 C ATOM 1968 C THR B 27 19.176 10.734 2.995 1.00 51.22 C ATOM 1969 O THR B 27 18.477 10.162 2.159 1.00 32.24 O ATOM 1970 CB THR B 27 18.282 13.063 3.069 1.00 52.21 C ATOM 1971 OG1 THR B 27 19.488 13.559 2.475 1.00 2.43 O ATOM 1972 CG2 THR B 27 17.652 14.146 3.930 1.00 64.34 C ATOM 0 H THR B 27 20.393 12.477 4.730 1.00 72.41 H new ATOM 0 HA THR B 27 17.660 11.435 4.343 1.00 53.05 H new ATOM 0 HB THR B 27 17.576 12.790 2.285 1.00 52.21 H new ATOM 0 HG1 THR B 27 20.093 13.874 3.178 1.00 2.43 H new ATOM 0 HG21 THR B 27 17.446 15.024 3.318 1.00 64.34 H new ATOM 0 HG22 THR B 27 16.720 13.775 4.357 1.00 64.34 H new ATOM 0 HG23 THR B 27 18.337 14.417 4.733 1.00 64.34 H new ATOM 1980 N GLY B 28 20.467 10.466 3.163 1.00 31.12 N ATOM 1981 CA GLY B 28 21.129 9.462 2.350 1.00 0.51 C ATOM 1982 C GLY B 28 21.711 10.041 1.075 1.00 21.43 C ATOM 1983 O GLY B 28 22.345 9.330 0.295 1.00 31.15 O ATOM 0 H GLY B 28 21.067 10.926 3.848 1.00 31.12 H new ATOM 0 HA2 GLY B 28 21.925 8.996 2.930 1.00 0.51 H new ATOM 0 HA3 GLY B 28 20.417 8.676 2.097 1.00 0.51 H new ATOM 1987 N VAL B 29 21.493 11.335 0.861 1.00 41.33 N ATOM 1988 CA VAL B 29 22.000 12.008 -0.329 1.00 64.40 C ATOM 1989 C VAL B 29 23.521 12.100 -0.302 1.00 1.32 C ATOM 1990 O VAL B 29 24.144 12.184 0.757 1.00 12.41 O ATOM 1991 CB VAL B 29 21.413 13.426 -0.463 1.00 61.44 C ATOM 1992 CG1 VAL B 29 22.525 14.461 -0.526 1.00 50.43 C ATOM 1993 CG2 VAL B 29 20.519 13.517 -1.691 1.00 55.14 C ATOM 0 H VAL B 29 20.969 11.938 1.496 1.00 41.33 H new ATOM 0 HA VAL B 29 21.691 11.411 -1.187 1.00 64.40 H new ATOM 0 HB VAL B 29 20.806 13.634 0.418 1.00 61.44 H new ATOM 0 HG11 VAL B 29 22.091 15.456 -0.621 1.00 50.43 H new ATOM 0 HG12 VAL B 29 23.121 14.410 0.385 1.00 50.43 H new ATOM 0 HG13 VAL B 29 23.161 14.259 -1.388 1.00 50.43 H new ATOM 0 HG21 VAL B 29 20.112 14.525 -1.771 1.00 55.14 H new ATOM 0 HG22 VAL B 29 21.102 13.289 -2.583 1.00 55.14 H new ATOM 0 HG23 VAL B 29 19.701 12.802 -1.600 1.00 55.14 H new ATOM 2003 N PRO B 30 24.136 12.086 -1.494 1.00 64.31 N ATOM 2004 CA PRO B 30 25.593 12.168 -1.634 1.00 44.21 C ATOM 2005 C PRO B 30 26.134 13.543 -1.262 1.00 55.44 C ATOM 2006 O PRO B 30 25.651 14.565 -1.750 1.00 52.10 O ATOM 2007 CB PRO B 30 25.822 11.887 -3.121 1.00 72.05 C ATOM 2008 CG PRO B 30 24.550 12.290 -3.784 1.00 25.14 C ATOM 2009 CD PRO B 30 23.456 11.988 -2.797 1.00 2.43 C ATOM 0 HA PRO B 30 26.107 11.472 -0.971 1.00 44.21 H new ATOM 0 HB2 PRO B 30 26.667 12.458 -3.506 1.00 72.05 H new ATOM 0 HB3 PRO B 30 26.043 10.834 -3.295 1.00 72.05 H new ATOM 0 HG2 PRO B 30 24.562 13.349 -4.041 1.00 25.14 H new ATOM 0 HG3 PRO B 30 24.402 11.738 -4.712 1.00 25.14 H new ATOM 0 HD2 PRO B 30 22.635 12.701 -2.876 1.00 2.43 H new ATOM 0 HD3 PRO B 30 23.034 10.996 -2.956 1.00 2.43 H new ATOM 2017 N TYR B 31 27.141 13.563 -0.395 1.00 55.04 N ATOM 2018 CA TYR B 31 27.747 14.815 0.044 1.00 73.24 C ATOM 2019 C TYR B 31 28.546 15.459 -1.085 1.00 50.10 C ATOM 2020 O TYR B 31 28.595 16.682 -1.207 1.00 14.12 O ATOM 2021 CB TYR B 31 28.655 14.571 1.251 1.00 71.51 C ATOM 2022 CG TYR B 31 29.510 15.763 1.617 1.00 71.30 C ATOM 2023 CD1 TYR B 31 28.931 16.980 1.950 1.00 4.21 C ATOM 2024 CD2 TYR B 31 30.896 15.671 1.628 1.00 11.35 C ATOM 2025 CE1 TYR B 31 29.708 18.073 2.285 1.00 23.24 C ATOM 2026 CE2 TYR B 31 31.681 16.757 1.963 1.00 75.30 C ATOM 2027 CZ TYR B 31 31.082 17.956 2.290 1.00 13.24 C ATOM 2028 OH TYR B 31 31.861 19.041 2.622 1.00 2.20 O ATOM 0 H TYR B 31 27.555 12.727 0.017 1.00 55.04 H new ATOM 0 HA TYR B 31 26.946 15.495 0.332 1.00 73.24 H new ATOM 0 HB2 TYR B 31 28.040 14.299 2.109 1.00 71.51 H new ATOM 0 HB3 TYR B 31 29.303 13.720 1.041 1.00 71.51 H new ATOM 0 HD1 TYR B 31 27.855 17.074 1.947 1.00 4.21 H new ATOM 0 HD2 TYR B 31 31.368 14.734 1.370 1.00 11.35 H new ATOM 0 HE1 TYR B 31 29.242 19.013 2.541 1.00 23.24 H new ATOM 0 HE2 TYR B 31 32.757 16.668 1.969 1.00 75.30 H new ATOM 0 HH TYR B 31 32.807 18.790 2.578 1.00 2.20 H new ATOM 2038 N GLY B 32 29.171 14.624 -1.910 1.00 45.13 N ATOM 2039 CA GLY B 32 29.959 15.129 -3.019 1.00 74.01 C ATOM 2040 C GLY B 32 29.129 15.926 -4.005 1.00 73.43 C ATOM 2041 O GLY B 32 29.642 16.814 -4.687 1.00 1.33 O ATOM 0 H GLY B 32 29.146 13.607 -1.830 1.00 45.13 H new ATOM 0 HA2 GLY B 32 30.762 15.757 -2.634 1.00 74.01 H new ATOM 0 HA3 GLY B 32 30.429 14.293 -3.537 1.00 74.01 H new ATOM 2045 N THR B 33 27.840 15.607 -4.084 1.00 10.04 N ATOM 2046 CA THR B 33 26.937 16.298 -4.997 1.00 11.04 C ATOM 2047 C THR B 33 26.069 17.306 -4.253 1.00 2.51 C ATOM 2048 O THR B 33 25.680 18.334 -4.808 1.00 23.25 O ATOM 2049 CB THR B 33 26.027 15.306 -5.744 1.00 3.23 C ATOM 2050 OG1 THR B 33 26.733 14.085 -5.993 1.00 14.15 O ATOM 2051 CG2 THR B 33 25.547 15.898 -7.061 1.00 42.22 C ATOM 0 H THR B 33 27.399 14.875 -3.527 1.00 10.04 H new ATOM 0 HA THR B 33 27.560 16.824 -5.721 1.00 11.04 H new ATOM 0 HB THR B 33 25.159 15.102 -5.118 1.00 3.23 H new ATOM 0 HG1 THR B 33 26.147 13.459 -6.467 1.00 14.15 H new ATOM 0 HG21 THR B 33 24.906 15.179 -7.571 1.00 42.22 H new ATOM 0 HG22 THR B 33 24.985 16.811 -6.866 1.00 42.22 H new ATOM 0 HG23 THR B 33 26.406 16.128 -7.691 1.00 42.22 H new ATOM 2059 N LEU B 34 25.769 17.006 -2.994 1.00 5.42 N ATOM 2060 CA LEU B 34 24.947 17.887 -2.173 1.00 11.23 C ATOM 2061 C LEU B 34 25.489 19.313 -2.191 1.00 53.41 C ATOM 2062 O LEU B 34 24.726 20.277 -2.235 1.00 25.43 O ATOM 2063 CB LEU B 34 24.890 17.370 -0.734 1.00 44.11 C ATOM 2064 CG LEU B 34 24.189 18.277 0.278 1.00 20.43 C ATOM 2065 CD1 LEU B 34 22.692 18.316 0.014 1.00 30.33 C ATOM 2066 CD2 LEU B 34 24.470 17.807 1.698 1.00 54.42 C ATOM 0 H LEU B 34 26.083 16.159 -2.520 1.00 5.42 H new ATOM 0 HA LEU B 34 23.940 17.895 -2.590 1.00 11.23 H new ATOM 0 HB2 LEU B 34 24.386 16.404 -0.736 1.00 44.11 H new ATOM 0 HB3 LEU B 34 25.910 17.197 -0.391 1.00 44.11 H new ATOM 0 HG LEU B 34 24.583 19.287 0.165 1.00 20.43 H new ATOM 0 HD11 LEU B 34 22.211 18.966 0.744 1.00 30.33 H new ATOM 0 HD12 LEU B 34 22.509 18.700 -0.990 1.00 30.33 H new ATOM 0 HD13 LEU B 34 22.281 17.310 0.098 1.00 30.33 H new ATOM 0 HD21 LEU B 34 23.964 18.464 2.405 1.00 54.42 H new ATOM 0 HD22 LEU B 34 24.104 16.788 1.823 1.00 54.42 H new ATOM 0 HD23 LEU B 34 25.544 17.832 1.884 1.00 54.42 H new ATOM 2078 N SER B 35 26.813 19.438 -2.160 1.00 61.31 N ATOM 2079 CA SER B 35 27.457 20.745 -2.172 1.00 34.14 C ATOM 2080 C SER B 35 26.934 21.599 -3.323 1.00 4.52 C ATOM 2081 O SER B 35 26.772 22.812 -3.188 1.00 30.41 O ATOM 2082 CB SER B 35 28.975 20.588 -2.288 1.00 14.21 C ATOM 2083 OG SER B 35 29.361 20.331 -3.626 1.00 62.41 O ATOM 0 H SER B 35 27.459 18.650 -2.126 1.00 61.31 H new ATOM 0 HA SER B 35 27.221 21.247 -1.234 1.00 34.14 H new ATOM 0 HB2 SER B 35 29.465 21.494 -1.933 1.00 14.21 H new ATOM 0 HB3 SER B 35 29.309 19.772 -1.647 1.00 14.21 H new ATOM 0 HG SER B 35 30.335 20.237 -3.673 1.00 62.41 H new ATOM 2089 N TYR B 36 26.672 20.956 -4.456 1.00 41.34 N ATOM 2090 CA TYR B 36 26.169 21.655 -5.632 1.00 34.30 C ATOM 2091 C TYR B 36 24.649 21.774 -5.588 1.00 45.21 C ATOM 2092 O TYR B 36 24.069 22.695 -6.164 1.00 45.01 O ATOM 2093 CB TYR B 36 26.597 20.925 -6.906 1.00 40.31 C ATOM 2094 CG TYR B 36 28.078 21.024 -7.192 1.00 34.30 C ATOM 2095 CD1 TYR B 36 28.753 22.231 -7.053 1.00 32.43 C ATOM 2096 CD2 TYR B 36 28.802 19.912 -7.604 1.00 45.14 C ATOM 2097 CE1 TYR B 36 30.106 22.327 -7.313 1.00 62.53 C ATOM 2098 CE2 TYR B 36 30.157 19.999 -7.866 1.00 64.54 C ATOM 2099 CZ TYR B 36 30.804 21.207 -7.719 1.00 62.20 C ATOM 2100 OH TYR B 36 32.152 21.298 -7.980 1.00 51.03 O ATOM 0 H TYR B 36 26.800 19.952 -4.584 1.00 41.34 H new ATOM 0 HA TYR B 36 26.593 22.659 -5.635 1.00 34.30 H new ATOM 0 HB2 TYR B 36 26.321 19.874 -6.822 1.00 40.31 H new ATOM 0 HB3 TYR B 36 26.044 21.333 -7.752 1.00 40.31 H new ATOM 0 HD1 TYR B 36 28.210 23.109 -6.736 1.00 32.43 H new ATOM 0 HD2 TYR B 36 28.298 18.964 -7.722 1.00 45.14 H new ATOM 0 HE1 TYR B 36 30.615 23.273 -7.199 1.00 62.53 H new ATOM 0 HE2 TYR B 36 30.705 19.125 -8.184 1.00 64.54 H new ATOM 0 HH TYR B 36 32.492 20.421 -8.254 1.00 51.03 H new ATOM 2110 N TYR B 37 24.009 20.836 -4.898 1.00 23.03 N ATOM 2111 CA TYR B 37 22.556 20.833 -4.778 1.00 71.53 C ATOM 2112 C TYR B 37 22.060 22.123 -4.132 1.00 1.34 C ATOM 2113 O TYR B 37 21.392 22.933 -4.773 1.00 12.02 O ATOM 2114 CB TYR B 37 22.093 19.628 -3.956 1.00 44.25 C ATOM 2115 CG TYR B 37 21.911 18.371 -4.777 1.00 22.43 C ATOM 2116 CD1 TYR B 37 22.698 18.126 -5.895 1.00 52.14 C ATOM 2117 CD2 TYR B 37 20.951 17.426 -4.432 1.00 15.42 C ATOM 2118 CE1 TYR B 37 22.535 16.979 -6.647 1.00 2.53 C ATOM 2119 CE2 TYR B 37 20.782 16.276 -5.177 1.00 0.41 C ATOM 2120 CZ TYR B 37 21.576 16.057 -6.284 1.00 71.12 C ATOM 2121 OH TYR B 37 21.410 14.913 -7.030 1.00 2.50 O ATOM 0 H TYR B 37 24.474 20.068 -4.413 1.00 23.03 H new ATOM 0 HA TYR B 37 22.135 20.764 -5.781 1.00 71.53 H new ATOM 0 HB2 TYR B 37 22.820 19.435 -3.167 1.00 44.25 H new ATOM 0 HB3 TYR B 37 21.150 19.873 -3.467 1.00 44.25 H new ATOM 0 HD1 TYR B 37 23.451 18.845 -6.181 1.00 52.14 H new ATOM 0 HD2 TYR B 37 20.327 17.594 -3.567 1.00 15.42 H new ATOM 0 HE1 TYR B 37 23.155 16.805 -7.514 1.00 2.53 H new ATOM 0 HE2 TYR B 37 20.032 15.552 -4.895 1.00 0.41 H new ATOM 0 HH TYR B 37 20.695 14.369 -6.639 1.00 2.50 H new ATOM 2131 N GLU B 38 22.393 22.306 -2.858 1.00 43.22 N ATOM 2132 CA GLU B 38 21.982 23.497 -2.125 1.00 44.31 C ATOM 2133 C GLU B 38 22.589 24.753 -2.743 1.00 24.45 C ATOM 2134 O GLU B 38 22.094 25.861 -2.536 1.00 42.22 O ATOM 2135 CB GLU B 38 22.396 23.387 -0.655 1.00 11.21 C ATOM 2136 CG GLU B 38 22.105 22.028 -0.042 1.00 54.50 C ATOM 2137 CD GLU B 38 22.060 22.070 1.473 1.00 35.11 C ATOM 2138 OE1 GLU B 38 21.112 22.670 2.022 1.00 63.32 O ATOM 2139 OE2 GLU B 38 22.972 21.503 2.111 1.00 70.20 O ATOM 0 H GLU B 38 22.946 21.645 -2.313 1.00 43.22 H new ATOM 0 HA GLU B 38 20.896 23.572 -2.185 1.00 44.31 H new ATOM 0 HB2 GLU B 38 23.463 23.594 -0.570 1.00 11.21 H new ATOM 0 HB3 GLU B 38 21.876 24.154 -0.081 1.00 11.21 H new ATOM 0 HG2 GLU B 38 21.151 21.660 -0.420 1.00 54.50 H new ATOM 0 HG3 GLU B 38 22.869 21.319 -0.360 1.00 54.50 H new ATOM 2146 N SER B 39 23.665 24.571 -3.502 1.00 53.34 N ATOM 2147 CA SER B 39 24.342 25.689 -4.147 1.00 70.11 C ATOM 2148 C SER B 39 23.582 26.141 -5.390 1.00 24.54 C ATOM 2149 O SER B 39 23.799 27.241 -5.898 1.00 41.42 O ATOM 2150 CB SER B 39 25.772 25.298 -4.525 1.00 1.22 C ATOM 2151 OG SER B 39 26.387 26.304 -5.309 1.00 11.15 O ATOM 0 H SER B 39 24.086 23.660 -3.685 1.00 53.34 H new ATOM 0 HA SER B 39 24.374 26.518 -3.440 1.00 70.11 H new ATOM 0 HB2 SER B 39 26.357 25.129 -3.621 1.00 1.22 H new ATOM 0 HB3 SER B 39 25.761 24.358 -5.077 1.00 1.22 H new ATOM 0 HG SER B 39 27.300 26.030 -5.535 1.00 11.15 H new ATOM 2157 N GLY B 40 22.690 25.284 -5.876 1.00 41.23 N ATOM 2158 CA GLY B 40 21.910 25.611 -7.055 1.00 73.32 C ATOM 2159 C GLY B 40 22.694 25.423 -8.339 1.00 71.50 C ATOM 2160 O GLY B 40 22.307 25.931 -9.391 1.00 64.32 O ATOM 0 H GLY B 40 22.493 24.368 -5.474 1.00 41.23 H new ATOM 0 HA2 GLY B 40 21.018 24.985 -7.082 1.00 73.32 H new ATOM 0 HA3 GLY B 40 21.571 26.645 -6.988 1.00 73.32 H new ATOM 2164 N ARG B 41 23.801 24.692 -8.252 1.00 73.33 N ATOM 2165 CA ARG B 41 24.642 24.441 -9.416 1.00 73.31 C ATOM 2166 C ARG B 41 23.875 23.668 -10.485 1.00 30.24 C ATOM 2167 O ARG B 41 24.179 23.766 -11.674 1.00 23.15 O ATOM 2168 CB ARG B 41 25.894 23.660 -9.008 1.00 2.45 C ATOM 2169 CG ARG B 41 27.157 24.119 -9.718 1.00 71.20 C ATOM 2170 CD ARG B 41 27.914 25.151 -8.899 1.00 3.45 C ATOM 2171 NE ARG B 41 29.321 25.227 -9.280 1.00 73.34 N ATOM 2172 CZ ARG B 41 29.755 25.841 -10.376 1.00 44.45 C ATOM 2173 NH1 ARG B 41 28.893 26.430 -11.193 1.00 73.10 N ATOM 2174 NH2 ARG B 41 31.051 25.868 -10.655 1.00 72.43 N ATOM 0 H ARG B 41 24.136 24.264 -7.389 1.00 73.33 H new ATOM 0 HA ARG B 41 24.940 25.404 -9.831 1.00 73.31 H new ATOM 0 HB2 ARG B 41 26.037 23.756 -7.932 1.00 2.45 H new ATOM 0 HB3 ARG B 41 25.735 22.602 -9.215 1.00 2.45 H new ATOM 0 HG2 ARG B 41 27.801 23.260 -9.908 1.00 71.20 H new ATOM 0 HG3 ARG B 41 26.897 24.543 -10.688 1.00 71.20 H new ATOM 0 HD2 ARG B 41 27.450 26.129 -9.029 1.00 3.45 H new ATOM 0 HD3 ARG B 41 27.838 24.901 -7.841 1.00 3.45 H new ATOM 0 HE ARG B 41 30.009 24.784 -8.671 1.00 73.34 H new ATOM 0 HH11 ARG B 41 27.895 26.412 -10.981 1.00 73.10 H new ATOM 0 HH12 ARG B 41 29.227 26.901 -12.034 1.00 73.10 H new ATOM 0 HH21 ARG B 41 31.717 25.417 -10.028 1.00 72.43 H new ATOM 0 HH22 ARG B 41 31.382 26.340 -11.497 1.00 72.43 H new ATOM 2188 N SER B 42 22.881 22.900 -10.054 1.00 53.33 N ATOM 2189 CA SER B 42 22.073 22.107 -10.973 1.00 23.23 C ATOM 2190 C SER B 42 20.743 21.720 -10.333 1.00 3.44 C ATOM 2191 O SER B 42 20.706 20.987 -9.343 1.00 55.33 O ATOM 2192 CB SER B 42 22.832 20.849 -11.399 1.00 33.02 C ATOM 2193 OG SER B 42 22.453 20.440 -12.701 1.00 14.24 O ATOM 0 H SER B 42 22.615 22.810 -9.073 1.00 53.33 H new ATOM 0 HA SER B 42 21.869 22.715 -11.854 1.00 23.23 H new ATOM 0 HB2 SER B 42 23.905 21.042 -11.373 1.00 33.02 H new ATOM 0 HB3 SER B 42 22.635 20.045 -10.690 1.00 33.02 H new ATOM 0 HG SER B 42 22.954 19.635 -12.950 1.00 14.24 H new ATOM 2199 N THR B 43 19.651 22.217 -10.905 1.00 54.02 N ATOM 2200 CA THR B 43 18.318 21.926 -10.391 1.00 44.13 C ATOM 2201 C THR B 43 18.113 20.426 -10.216 1.00 62.42 C ATOM 2202 O THR B 43 18.002 19.673 -11.183 1.00 42.45 O ATOM 2203 CB THR B 43 17.223 22.478 -11.323 1.00 15.34 C ATOM 2204 OG1 THR B 43 17.620 23.750 -11.846 1.00 15.25 O ATOM 2205 CG2 THR B 43 15.902 22.617 -10.583 1.00 51.13 C ATOM 0 H THR B 43 19.663 22.823 -11.725 1.00 54.02 H new ATOM 0 HA THR B 43 18.239 22.417 -9.421 1.00 44.13 H new ATOM 0 HB THR B 43 17.088 21.775 -12.145 1.00 15.34 H new ATOM 0 HG1 THR B 43 16.919 24.093 -12.439 1.00 15.25 H new ATOM 0 HG21 THR B 43 15.144 23.009 -11.262 1.00 51.13 H new ATOM 0 HG22 THR B 43 15.588 21.641 -10.213 1.00 51.13 H new ATOM 0 HG23 THR B 43 16.025 23.301 -9.743 1.00 51.13 H new ATOM 2213 N PRO B 44 18.059 19.978 -8.952 1.00 34.10 N ATOM 2214 CA PRO B 44 17.866 18.564 -8.620 1.00 64.22 C ATOM 2215 C PRO B 44 16.459 18.078 -8.955 1.00 65.12 C ATOM 2216 O PRO B 44 15.544 18.866 -9.190 1.00 43.23 O ATOM 2217 CB PRO B 44 18.101 18.518 -7.109 1.00 42.35 C ATOM 2218 CG PRO B 44 17.783 19.894 -6.634 1.00 43.14 C ATOM 2219 CD PRO B 44 18.184 20.819 -7.750 1.00 4.14 C ATOM 0 HA PRO B 44 18.534 17.917 -9.188 1.00 64.22 H new ATOM 0 HB2 PRO B 44 17.461 17.776 -6.631 1.00 42.35 H new ATOM 0 HB3 PRO B 44 19.131 18.247 -6.877 1.00 42.35 H new ATOM 0 HG2 PRO B 44 16.722 19.993 -6.407 1.00 43.14 H new ATOM 0 HG3 PRO B 44 18.328 20.127 -5.719 1.00 43.14 H new ATOM 0 HD2 PRO B 44 17.534 21.692 -7.801 1.00 4.14 H new ATOM 0 HD3 PRO B 44 19.202 21.187 -7.621 1.00 4.14 H new ATOM 2227 N PRO B 45 16.282 16.748 -8.978 1.00 22.42 N ATOM 2228 CA PRO B 45 14.989 16.127 -9.282 1.00 43.51 C ATOM 2229 C PRO B 45 13.967 16.344 -8.172 1.00 62.05 C ATOM 2230 O PRO B 45 14.244 17.019 -7.181 1.00 14.40 O ATOM 2231 CB PRO B 45 15.332 14.641 -9.413 1.00 65.34 C ATOM 2232 CG PRO B 45 16.560 14.462 -8.590 1.00 42.52 C ATOM 2233 CD PRO B 45 17.329 15.749 -8.708 1.00 44.51 C ATOM 0 HA PRO B 45 14.531 16.552 -10.175 1.00 43.51 H new ATOM 0 HB2 PRO B 45 14.518 14.013 -9.051 1.00 65.34 H new ATOM 0 HB3 PRO B 45 15.509 14.366 -10.453 1.00 65.34 H new ATOM 0 HG2 PRO B 45 16.306 14.253 -7.551 1.00 42.52 H new ATOM 0 HG3 PRO B 45 17.151 13.620 -8.949 1.00 42.52 H new ATOM 0 HD2 PRO B 45 17.875 15.976 -7.792 1.00 44.51 H new ATOM 0 HD3 PRO B 45 18.062 15.707 -9.514 1.00 44.51 H new ATOM 2241 N THR B 46 12.782 15.765 -8.343 1.00 11.44 N ATOM 2242 CA THR B 46 11.718 15.895 -7.357 1.00 63.42 C ATOM 2243 C THR B 46 11.821 14.810 -6.290 1.00 5.13 C ATOM 2244 O THR B 46 11.498 15.039 -5.125 1.00 4.01 O ATOM 2245 CB THR B 46 10.327 15.820 -8.016 1.00 52.33 C ATOM 2246 OG1 THR B 46 10.195 16.854 -8.998 1.00 33.31 O ATOM 2247 CG2 THR B 46 9.227 15.957 -6.975 1.00 3.02 C ATOM 0 H THR B 46 12.536 15.201 -9.157 1.00 11.44 H new ATOM 0 HA THR B 46 11.838 16.873 -6.891 1.00 63.42 H new ATOM 0 HB THR B 46 10.229 14.847 -8.498 1.00 52.33 H new ATOM 0 HG1 THR B 46 10.626 16.571 -9.831 1.00 33.31 H new ATOM 0 HG21 THR B 46 8.254 15.901 -7.464 1.00 3.02 H new ATOM 0 HG22 THR B 46 9.314 15.151 -6.246 1.00 3.02 H new ATOM 0 HG23 THR B 46 9.323 16.917 -6.468 1.00 3.02 H new ATOM 2255 N ASP B 47 12.275 13.630 -6.696 1.00 1.43 N ATOM 2256 CA ASP B 47 12.424 12.510 -5.775 1.00 54.30 C ATOM 2257 C ASP B 47 13.412 12.848 -4.663 1.00 63.03 C ATOM 2258 O ASP B 47 13.261 12.399 -3.526 1.00 32.00 O ATOM 2259 CB ASP B 47 12.890 11.261 -6.526 1.00 61.00 C ATOM 2260 CG ASP B 47 14.397 11.201 -6.669 1.00 74.43 C ATOM 2261 OD1 ASP B 47 15.068 10.769 -5.709 1.00 53.32 O ATOM 2262 OD2 ASP B 47 14.908 11.589 -7.741 1.00 4.34 O ATOM 0 H ASP B 47 12.546 13.424 -7.657 1.00 1.43 H new ATOM 0 HA ASP B 47 11.451 12.311 -5.325 1.00 54.30 H new ATOM 0 HB2 ASP B 47 12.542 10.373 -5.999 1.00 61.00 H new ATOM 0 HB3 ASP B 47 12.433 11.244 -7.515 1.00 61.00 H new ATOM 2267 N VAL B 48 14.424 13.642 -4.998 1.00 74.22 N ATOM 2268 CA VAL B 48 15.437 14.041 -4.029 1.00 22.51 C ATOM 2269 C VAL B 48 14.989 15.264 -3.238 1.00 4.50 C ATOM 2270 O VAL B 48 15.102 15.299 -2.013 1.00 11.21 O ATOM 2271 CB VAL B 48 16.781 14.350 -4.716 1.00 0.11 C ATOM 2272 CG1 VAL B 48 17.808 14.817 -3.695 1.00 24.23 C ATOM 2273 CG2 VAL B 48 17.285 13.130 -5.473 1.00 54.21 C ATOM 0 H VAL B 48 14.564 14.022 -5.934 1.00 74.22 H new ATOM 0 HA VAL B 48 15.571 13.201 -3.348 1.00 22.51 H new ATOM 0 HB VAL B 48 16.626 15.156 -5.434 1.00 0.11 H new ATOM 0 HG11 VAL B 48 18.751 15.030 -4.199 1.00 24.23 H new ATOM 0 HG12 VAL B 48 17.447 15.720 -3.203 1.00 24.23 H new ATOM 0 HG13 VAL B 48 17.963 14.035 -2.951 1.00 24.23 H new ATOM 0 HG21 VAL B 48 18.235 13.366 -5.952 1.00 54.21 H new ATOM 0 HG22 VAL B 48 17.425 12.302 -4.778 1.00 54.21 H new ATOM 0 HG23 VAL B 48 16.556 12.846 -6.232 1.00 54.21 H new ATOM 2283 N MET B 49 14.480 16.266 -3.946 1.00 33.43 N ATOM 2284 CA MET B 49 14.014 17.493 -3.310 1.00 40.22 C ATOM 2285 C MET B 49 12.976 17.185 -2.235 1.00 4.22 C ATOM 2286 O MET B 49 12.771 17.975 -1.313 1.00 1.31 O ATOM 2287 CB MET B 49 13.419 18.440 -4.353 1.00 44.14 C ATOM 2288 CG MET B 49 11.930 18.235 -4.582 1.00 51.34 C ATOM 2289 SD MET B 49 10.916 19.351 -3.593 1.00 51.12 S ATOM 2290 CE MET B 49 9.701 18.211 -2.935 1.00 51.15 C ATOM 0 H MET B 49 14.379 16.253 -4.961 1.00 33.43 H new ATOM 0 HA MET B 49 14.869 17.977 -2.838 1.00 40.22 H new ATOM 0 HB2 MET B 49 13.591 19.469 -4.038 1.00 44.14 H new ATOM 0 HB3 MET B 49 13.946 18.304 -5.298 1.00 44.14 H new ATOM 0 HG2 MET B 49 11.705 18.385 -5.638 1.00 51.34 H new ATOM 0 HG3 MET B 49 11.668 17.204 -4.343 1.00 51.34 H new ATOM 0 HE1 MET B 49 8.740 18.717 -2.841 1.00 51.15 H new ATOM 0 HE2 MET B 49 9.598 17.360 -3.608 1.00 51.15 H new ATOM 0 HE3 MET B 49 10.024 17.861 -1.955 1.00 51.15 H new ATOM 2300 N MET B 50 12.324 16.034 -2.359 1.00 73.41 N ATOM 2301 CA MET B 50 11.308 15.623 -1.397 1.00 53.21 C ATOM 2302 C MET B 50 11.920 14.762 -0.296 1.00 3.12 C ATOM 2303 O MET B 50 11.367 14.653 0.798 1.00 20.05 O ATOM 2304 CB MET B 50 10.189 14.854 -2.101 1.00 34.20 C ATOM 2305 CG MET B 50 10.615 13.483 -2.600 1.00 34.23 C ATOM 2306 SD MET B 50 9.484 12.175 -2.089 1.00 14.43 S ATOM 2307 CE MET B 50 7.906 12.900 -2.530 1.00 65.11 C ATOM 0 H MET B 50 12.481 15.369 -3.116 1.00 73.41 H new ATOM 0 HA MET B 50 10.889 16.521 -0.942 1.00 53.21 H new ATOM 0 HB2 MET B 50 9.351 14.737 -1.414 1.00 34.20 H new ATOM 0 HB3 MET B 50 9.829 15.443 -2.945 1.00 34.20 H new ATOM 0 HG2 MET B 50 10.677 13.500 -3.688 1.00 34.23 H new ATOM 0 HG3 MET B 50 11.615 13.260 -2.227 1.00 34.23 H new ATOM 0 HE1 MET B 50 7.148 12.119 -2.580 1.00 65.11 H new ATOM 0 HE2 MET B 50 7.620 13.635 -1.778 1.00 65.11 H new ATOM 0 HE3 MET B 50 7.988 13.388 -3.501 1.00 65.11 H new ATOM 2317 N ASN B 51 13.062 14.152 -0.593 1.00 10.42 N ATOM 2318 CA ASN B 51 13.746 13.298 0.371 1.00 73.03 C ATOM 2319 C ASN B 51 14.463 14.137 1.426 1.00 51.31 C ATOM 2320 O ASN B 51 14.854 13.628 2.477 1.00 61.22 O ATOM 2321 CB ASN B 51 14.749 12.390 -0.342 1.00 41.34 C ATOM 2322 CG ASN B 51 14.203 10.993 -0.569 1.00 53.40 C ATOM 2323 OD1 ASN B 51 13.693 10.356 0.353 1.00 40.12 O ATOM 2324 ND2 ASN B 51 14.309 10.509 -1.801 1.00 25.24 N ATOM 0 H ASN B 51 13.534 14.233 -1.494 1.00 10.42 H new ATOM 0 HA ASN B 51 12.998 12.681 0.868 1.00 73.03 H new ATOM 0 HB2 ASN B 51 15.018 12.833 -1.301 1.00 41.34 H new ATOM 0 HB3 ASN B 51 15.663 12.329 0.248 1.00 41.34 H new ATOM 0 HD21 ASN B 51 13.960 9.574 -2.013 1.00 25.24 H new ATOM 0 HD22 ASN B 51 14.739 11.072 -2.535 1.00 25.24 H new ATOM 2331 N ILE B 52 14.632 15.423 1.136 1.00 15.14 N ATOM 2332 CA ILE B 52 15.301 16.331 2.060 1.00 71.33 C ATOM 2333 C ILE B 52 14.301 16.983 3.010 1.00 63.34 C ATOM 2334 O ILE B 52 14.619 17.264 4.167 1.00 22.32 O ATOM 2335 CB ILE B 52 16.071 17.432 1.308 1.00 0.12 C ATOM 2336 CG1 ILE B 52 16.920 16.820 0.193 1.00 22.15 C ATOM 2337 CG2 ILE B 52 16.942 18.222 2.274 1.00 64.33 C ATOM 2338 CD1 ILE B 52 17.594 15.525 0.588 1.00 3.43 C ATOM 0 H ILE B 52 14.315 15.859 0.270 1.00 15.14 H new ATOM 0 HA ILE B 52 16.008 15.733 2.635 1.00 71.33 H new ATOM 0 HB ILE B 52 15.352 18.115 0.856 1.00 0.12 H new ATOM 0 HG12 ILE B 52 16.288 16.641 -0.677 1.00 22.15 H new ATOM 0 HG13 ILE B 52 17.681 17.539 -0.109 1.00 22.15 H new ATOM 0 HG21 ILE B 52 17.480 18.997 1.728 1.00 64.33 H new ATOM 0 HG22 ILE B 52 16.314 18.684 3.035 1.00 64.33 H new ATOM 0 HG23 ILE B 52 17.657 17.551 2.751 1.00 64.33 H new ATOM 0 HD11 ILE B 52 18.179 15.148 -0.251 1.00 3.43 H new ATOM 0 HD12 ILE B 52 18.252 15.702 1.439 1.00 3.43 H new ATOM 0 HD13 ILE B 52 16.837 14.790 0.862 1.00 3.43 H new ATOM 2350 N LEU B 53 13.091 17.218 2.516 1.00 63.51 N ATOM 2351 CA LEU B 53 12.042 17.835 3.321 1.00 30.02 C ATOM 2352 C LEU B 53 11.280 16.783 4.121 1.00 3.01 C ATOM 2353 O LEU B 53 10.802 17.054 5.221 1.00 32.54 O ATOM 2354 CB LEU B 53 11.075 18.611 2.425 1.00 71.32 C ATOM 2355 CG LEU B 53 11.184 20.136 2.483 1.00 24.34 C ATOM 2356 CD1 LEU B 53 12.641 20.569 2.441 1.00 64.42 C ATOM 2357 CD2 LEU B 53 10.403 20.770 1.342 1.00 70.41 C ATOM 0 H LEU B 53 12.811 16.991 1.562 1.00 63.51 H new ATOM 0 HA LEU B 53 12.513 18.526 4.021 1.00 30.02 H new ATOM 0 HB2 LEU B 53 11.233 18.294 1.394 1.00 71.32 H new ATOM 0 HB3 LEU B 53 10.057 18.329 2.693 1.00 71.32 H new ATOM 0 HG LEU B 53 10.753 20.477 3.424 1.00 24.34 H new ATOM 0 HD11 LEU B 53 12.699 21.657 2.483 1.00 64.42 H new ATOM 0 HD12 LEU B 53 13.172 20.144 3.293 1.00 64.42 H new ATOM 0 HD13 LEU B 53 13.099 20.217 1.516 1.00 64.42 H new ATOM 0 HD21 LEU B 53 10.492 21.855 1.399 1.00 70.41 H new ATOM 0 HD22 LEU B 53 10.804 20.423 0.390 1.00 70.41 H new ATOM 0 HD23 LEU B 53 9.353 20.487 1.419 1.00 70.41 H new ATOM 2369 N GLN B 54 11.172 15.583 3.559 1.00 45.30 N ATOM 2370 CA GLN B 54 10.469 14.491 4.221 1.00 4.44 C ATOM 2371 C GLN B 54 11.046 14.234 5.609 1.00 73.55 C ATOM 2372 O GLN B 54 10.358 13.726 6.495 1.00 22.03 O ATOM 2373 CB GLN B 54 10.553 13.218 3.378 1.00 31.43 C ATOM 2374 CG GLN B 54 11.945 12.608 3.332 1.00 54.24 C ATOM 2375 CD GLN B 54 11.966 11.250 2.660 1.00 53.44 C ATOM 2376 OE1 GLN B 54 12.609 10.316 3.142 1.00 62.11 O ATOM 2377 NE2 GLN B 54 11.259 11.129 1.543 1.00 32.34 N ATOM 0 H GLN B 54 11.562 15.343 2.648 1.00 45.30 H new ATOM 0 HA GLN B 54 9.423 14.779 4.330 1.00 4.44 H new ATOM 0 HB2 GLN B 54 9.856 12.481 3.777 1.00 31.43 H new ATOM 0 HB3 GLN B 54 10.231 13.444 2.361 1.00 31.43 H new ATOM 0 HG2 GLN B 54 12.616 13.283 2.800 1.00 54.24 H new ATOM 0 HG3 GLN B 54 12.329 12.512 4.348 1.00 54.24 H new ATOM 0 HE21 GLN B 54 10.741 11.928 1.178 1.00 32.34 H new ATOM 0 HE22 GLN B 54 11.234 10.237 1.049 1.00 32.34 H new ATOM 2386 N THR B 55 12.314 14.590 5.792 1.00 55.12 N ATOM 2387 CA THR B 55 12.984 14.397 7.073 1.00 13.51 C ATOM 2388 C THR B 55 12.170 14.995 8.215 1.00 42.11 C ATOM 2389 O THR B 55 11.464 15.989 8.051 1.00 72.25 O ATOM 2390 CB THR B 55 14.388 15.029 7.072 1.00 53.41 C ATOM 2391 OG1 THR B 55 14.319 16.376 6.591 1.00 50.54 O ATOM 2392 CG2 THR B 55 15.344 14.224 6.204 1.00 63.21 C ATOM 0 H THR B 55 12.897 15.013 5.070 1.00 55.12 H new ATOM 0 HA THR B 55 13.078 13.321 7.222 1.00 13.51 H new ATOM 0 HB THR B 55 14.763 15.028 8.095 1.00 53.41 H new ATOM 0 HG1 THR B 55 14.366 16.377 5.612 1.00 50.54 H new ATOM 0 HG21 THR B 55 16.329 14.690 6.219 1.00 63.21 H new ATOM 0 HG22 THR B 55 15.418 13.207 6.590 1.00 63.21 H new ATOM 0 HG23 THR B 55 14.971 14.197 5.180 1.00 63.21 H new ATOM 2400 N PRO B 56 12.270 14.377 9.401 1.00 31.25 N ATOM 2401 CA PRO B 56 11.551 14.831 10.594 1.00 41.22 C ATOM 2402 C PRO B 56 12.092 16.154 11.128 1.00 3.50 C ATOM 2403 O PRO B 56 11.421 16.846 11.892 1.00 61.54 O ATOM 2404 CB PRO B 56 11.794 13.708 11.604 1.00 43.23 C ATOM 2405 CG PRO B 56 13.069 13.074 11.167 1.00 22.11 C ATOM 2406 CD PRO B 56 13.094 13.185 9.668 1.00 60.25 C ATOM 0 HA PRO B 56 10.497 15.017 10.388 1.00 41.22 H new ATOM 0 HB2 PRO B 56 11.874 14.099 12.619 1.00 43.23 H new ATOM 0 HB3 PRO B 56 10.974 12.990 11.602 1.00 43.23 H new ATOM 0 HG2 PRO B 56 13.928 13.579 11.610 1.00 22.11 H new ATOM 0 HG3 PRO B 56 13.114 12.031 11.482 1.00 22.11 H new ATOM 0 HD2 PRO B 56 14.109 13.306 9.291 1.00 60.25 H new ATOM 0 HD3 PRO B 56 12.681 12.296 9.192 1.00 60.25 H new ATOM 2414 N GLN B 57 13.310 16.498 10.719 1.00 42.31 N ATOM 2415 CA GLN B 57 13.939 17.738 11.158 1.00 55.32 C ATOM 2416 C GLN B 57 13.505 18.908 10.281 1.00 1.51 C ATOM 2417 O GLN B 57 13.410 20.044 10.747 1.00 23.51 O ATOM 2418 CB GLN B 57 15.463 17.599 11.126 1.00 61.00 C ATOM 2419 CG GLN B 57 16.052 17.673 9.727 1.00 72.54 C ATOM 2420 CD GLN B 57 17.561 17.528 9.721 1.00 74.05 C ATOM 2421 OE1 GLN B 57 18.218 17.714 10.745 1.00 63.42 O ATOM 2422 NE2 GLN B 57 18.118 17.194 8.562 1.00 41.13 N ATOM 0 H GLN B 57 13.879 15.936 10.086 1.00 42.31 H new ATOM 0 HA GLN B 57 13.620 17.937 12.181 1.00 55.32 H new ATOM 0 HB2 GLN B 57 15.904 18.385 11.739 1.00 61.00 H new ATOM 0 HB3 GLN B 57 15.742 16.648 11.579 1.00 61.00 H new ATOM 0 HG2 GLN B 57 15.613 16.889 9.110 1.00 72.54 H new ATOM 0 HG3 GLN B 57 15.780 18.626 9.272 1.00 72.54 H new ATOM 0 HE21 GLN B 57 17.534 17.050 7.738 1.00 41.13 H new ATOM 0 HE22 GLN B 57 19.130 17.082 8.496 1.00 41.13 H new ATOM 2431 N PHE B 58 13.244 18.624 9.009 1.00 72.25 N ATOM 2432 CA PHE B 58 12.822 19.654 8.067 1.00 73.52 C ATOM 2433 C PHE B 58 11.323 19.561 7.797 1.00 1.21 C ATOM 2434 O PHE B 58 10.817 20.138 6.834 1.00 54.13 O ATOM 2435 CB PHE B 58 13.597 19.522 6.755 1.00 21.34 C ATOM 2436 CG PHE B 58 15.050 19.883 6.878 1.00 1.42 C ATOM 2437 CD1 PHE B 58 15.432 21.090 7.442 1.00 51.33 C ATOM 2438 CD2 PHE B 58 16.033 19.016 6.429 1.00 54.32 C ATOM 2439 CE1 PHE B 58 16.768 21.425 7.557 1.00 4.43 C ATOM 2440 CE2 PHE B 58 17.370 19.345 6.542 1.00 23.24 C ATOM 2441 CZ PHE B 58 17.738 20.551 7.106 1.00 13.33 C ATOM 0 H PHE B 58 13.317 17.689 8.607 1.00 72.25 H new ATOM 0 HA PHE B 58 13.034 20.627 8.510 1.00 73.52 H new ATOM 0 HB2 PHE B 58 13.515 18.496 6.395 1.00 21.34 H new ATOM 0 HB3 PHE B 58 13.134 20.161 6.003 1.00 21.34 H new ATOM 0 HD1 PHE B 58 14.677 21.777 7.796 1.00 51.33 H new ATOM 0 HD2 PHE B 58 15.751 18.072 5.986 1.00 54.32 H new ATOM 0 HE1 PHE B 58 17.053 22.368 7.999 1.00 4.43 H new ATOM 0 HE2 PHE B 58 18.127 18.660 6.190 1.00 23.24 H new ATOM 0 HZ PHE B 58 18.783 20.810 7.194 1.00 13.33 H new ATOM 2451 N THR B 59 10.617 18.831 8.655 1.00 3.42 N ATOM 2452 CA THR B 59 9.176 18.661 8.509 1.00 32.14 C ATOM 2453 C THR B 59 8.441 19.975 8.742 1.00 21.44 C ATOM 2454 O THR B 59 7.322 20.166 8.265 1.00 24.22 O ATOM 2455 CB THR B 59 8.634 17.603 9.488 1.00 53.35 C ATOM 2456 OG1 THR B 59 9.167 16.314 9.161 1.00 50.44 O ATOM 2457 CG2 THR B 59 7.115 17.553 9.444 1.00 63.52 C ATOM 0 H THR B 59 11.019 18.348 9.458 1.00 3.42 H new ATOM 0 HA THR B 59 8.999 18.325 7.487 1.00 32.14 H new ATOM 0 HB THR B 59 8.944 17.880 10.495 1.00 53.35 H new ATOM 0 HG1 THR B 59 9.833 16.407 8.448 1.00 50.44 H new ATOM 0 HG21 THR B 59 6.755 16.799 10.144 1.00 63.52 H new ATOM 0 HG22 THR B 59 6.711 18.527 9.721 1.00 63.52 H new ATOM 0 HG23 THR B 59 6.788 17.298 8.436 1.00 63.52 H new ATOM 2465 N LYS B 60 9.077 20.881 9.476 1.00 13.34 N ATOM 2466 CA LYS B 60 8.485 22.181 9.771 1.00 2.41 C ATOM 2467 C LYS B 60 8.615 23.122 8.577 1.00 33.42 C ATOM 2468 O LYS B 60 7.914 24.131 8.490 1.00 21.23 O ATOM 2469 CB LYS B 60 9.154 22.803 10.999 1.00 14.22 C ATOM 2470 CG LYS B 60 9.476 21.798 12.091 1.00 61.42 C ATOM 2471 CD LYS B 60 10.106 22.469 13.299 1.00 54.34 C ATOM 2472 CE LYS B 60 11.625 22.401 13.245 1.00 31.41 C ATOM 2473 NZ LYS B 60 12.117 20.996 13.238 1.00 31.11 N ATOM 0 H LYS B 60 10.004 20.739 9.878 1.00 13.34 H new ATOM 0 HA LYS B 60 7.426 22.031 9.979 1.00 2.41 H new ATOM 0 HB2 LYS B 60 10.075 23.298 10.689 1.00 14.22 H new ATOM 0 HB3 LYS B 60 8.500 23.573 11.407 1.00 14.22 H new ATOM 0 HG2 LYS B 60 8.564 21.284 12.394 1.00 61.42 H new ATOM 0 HG3 LYS B 60 10.154 21.040 11.700 1.00 61.42 H new ATOM 0 HD2 LYS B 60 9.789 23.511 13.345 1.00 54.34 H new ATOM 0 HD3 LYS B 60 9.751 21.988 14.210 1.00 54.34 H new ATOM 0 HE2 LYS B 60 11.980 22.915 12.352 1.00 31.41 H new ATOM 0 HE3 LYS B 60 12.043 22.928 14.103 1.00 31.41 H new ATOM 0 HZ1 LYS B 60 12.829 20.874 13.986 1.00 31.11 H new ATOM 0 HZ2 LYS B 60 11.321 20.349 13.408 1.00 31.11 H new ATOM 0 HZ3 LYS B 60 12.546 20.783 12.315 1.00 31.11 H new ATOM 2487 N TYR B 61 9.514 22.784 7.660 1.00 63.31 N ATOM 2488 CA TYR B 61 9.737 23.599 6.471 1.00 12.35 C ATOM 2489 C TYR B 61 9.523 22.781 5.201 1.00 43.03 C ATOM 2490 O TYR B 61 10.477 22.430 4.506 1.00 15.42 O ATOM 2491 CB TYR B 61 11.151 24.182 6.484 1.00 51.41 C ATOM 2492 CG TYR B 61 11.702 24.401 7.874 1.00 52.31 C ATOM 2493 CD1 TYR B 61 11.477 25.592 8.553 1.00 43.25 C ATOM 2494 CD2 TYR B 61 12.449 23.417 8.509 1.00 24.22 C ATOM 2495 CE1 TYR B 61 11.980 25.797 9.823 1.00 20.34 C ATOM 2496 CE2 TYR B 61 12.955 23.612 9.780 1.00 72.43 C ATOM 2497 CZ TYR B 61 12.718 24.804 10.433 1.00 62.03 C ATOM 2498 OH TYR B 61 13.219 25.003 11.698 1.00 73.32 O ATOM 0 H TYR B 61 10.100 21.951 7.717 1.00 63.31 H new ATOM 0 HA TYR B 61 9.015 24.415 6.481 1.00 12.35 H new ATOM 0 HB2 TYR B 61 11.816 23.512 5.940 1.00 51.41 H new ATOM 0 HB3 TYR B 61 11.148 25.132 5.949 1.00 51.41 H new ATOM 0 HD1 TYR B 61 10.899 26.371 8.079 1.00 43.25 H new ATOM 0 HD2 TYR B 61 12.638 22.483 8.000 1.00 24.22 H new ATOM 0 HE1 TYR B 61 11.796 26.730 10.336 1.00 20.34 H new ATOM 0 HE2 TYR B 61 13.533 22.836 10.259 1.00 72.43 H new ATOM 0 HH TYR B 61 13.714 24.207 11.983 1.00 73.32 H new ATOM 2508 N THR B 62 8.263 22.479 4.904 1.00 34.42 N ATOM 2509 CA THR B 62 7.922 21.702 3.720 1.00 72.42 C ATOM 2510 C THR B 62 7.375 22.598 2.613 1.00 31.24 C ATOM 2511 O THR B 62 8.001 22.760 1.565 1.00 31.52 O ATOM 2512 CB THR B 62 6.882 20.612 4.042 1.00 33.53 C ATOM 2513 OG1 THR B 62 6.682 20.531 5.458 1.00 23.01 O ATOM 2514 CG2 THR B 62 7.334 19.261 3.510 1.00 4.41 C ATOM 0 H THR B 62 7.461 22.761 5.468 1.00 34.42 H new ATOM 0 HA THR B 62 8.842 21.227 3.379 1.00 72.42 H new ATOM 0 HB THR B 62 5.943 20.880 3.557 1.00 33.53 H new ATOM 0 HG1 THR B 62 6.287 19.663 5.683 1.00 23.01 H new ATOM 0 HG21 THR B 62 6.584 18.507 3.749 1.00 4.41 H new ATOM 0 HG22 THR B 62 7.459 19.319 2.429 1.00 4.41 H new ATOM 0 HG23 THR B 62 8.283 18.988 3.971 1.00 4.41 H new ATOM 2522 N LEU B 63 6.204 23.178 2.852 1.00 12.13 N ATOM 2523 CA LEU B 63 5.573 24.059 1.876 1.00 1.11 C ATOM 2524 C LEU B 63 5.685 25.518 2.306 1.00 22.24 C ATOM 2525 O LEU B 63 5.177 26.414 1.632 1.00 42.13 O ATOM 2526 CB LEU B 63 4.102 23.680 1.694 1.00 73.21 C ATOM 2527 CG LEU B 63 3.116 24.332 2.665 1.00 75.31 C ATOM 2528 CD1 LEU B 63 2.409 25.504 2.002 1.00 21.21 C ATOM 2529 CD2 LEU B 63 2.105 23.310 3.165 1.00 54.43 C ATOM 0 H LEU B 63 5.672 23.054 3.714 1.00 12.13 H new ATOM 0 HA LEU B 63 6.093 23.939 0.926 1.00 1.11 H new ATOM 0 HB2 LEU B 63 3.804 23.937 0.678 1.00 73.21 H new ATOM 0 HB3 LEU B 63 4.012 22.598 1.788 1.00 73.21 H new ATOM 0 HG LEU B 63 3.675 24.709 3.521 1.00 75.31 H new ATOM 0 HD11 LEU B 63 1.712 25.955 2.708 1.00 21.21 H new ATOM 0 HD12 LEU B 63 3.145 26.247 1.695 1.00 21.21 H new ATOM 0 HD13 LEU B 63 1.862 25.152 1.127 1.00 21.21 H new ATOM 0 HD21 LEU B 63 1.412 23.791 3.855 1.00 54.43 H new ATOM 0 HD22 LEU B 63 1.551 22.902 2.319 1.00 54.43 H new ATOM 0 HD23 LEU B 63 2.627 22.503 3.680 1.00 54.43 H new ATOM 2541 N TRP B 64 6.354 25.748 3.430 1.00 1.21 N ATOM 2542 CA TRP B 64 6.535 27.099 3.948 1.00 43.23 C ATOM 2543 C TRP B 64 7.155 28.009 2.893 1.00 72.02 C ATOM 2544 O TRP B 64 6.983 29.227 2.931 1.00 64.33 O ATOM 2545 CB TRP B 64 7.416 27.074 5.199 1.00 62.22 C ATOM 2546 CG TRP B 64 8.867 27.310 4.908 1.00 4.30 C ATOM 2547 CD1 TRP B 64 9.625 28.365 5.328 1.00 74.40 C ATOM 2548 CD2 TRP B 64 9.733 26.474 4.133 1.00 4.15 C ATOM 2549 NE1 TRP B 64 10.911 28.235 4.859 1.00 54.00 N ATOM 2550 CE2 TRP B 64 11.003 27.083 4.124 1.00 33.35 C ATOM 2551 CE3 TRP B 64 9.560 25.269 3.446 1.00 30.31 C ATOM 2552 CZ2 TRP B 64 12.091 26.527 3.456 1.00 50.25 C ATOM 2553 CZ3 TRP B 64 10.639 24.719 2.783 1.00 42.23 C ATOM 2554 CH2 TRP B 64 11.893 25.348 2.792 1.00 30.42 C ATOM 0 H TRP B 64 6.780 25.017 4.000 1.00 1.21 H new ATOM 0 HA TRP B 64 5.554 27.495 4.210 1.00 43.23 H new ATOM 0 HB2 TRP B 64 7.065 27.834 5.897 1.00 62.22 H new ATOM 0 HB3 TRP B 64 7.304 26.109 5.694 1.00 62.22 H new ATOM 0 HD1 TRP B 64 9.267 29.181 5.938 1.00 74.40 H new ATOM 0 HE1 TRP B 64 11.673 28.891 5.031 1.00 54.00 H new ATOM 0 HE3 TRP B 64 8.599 24.777 3.434 1.00 30.31 H new ATOM 0 HZ2 TRP B 64 13.057 27.010 3.462 1.00 50.25 H new ATOM 0 HZ3 TRP B 64 10.516 23.789 2.248 1.00 42.23 H new ATOM 0 HH2 TRP B 64 12.718 24.892 2.264 1.00 30.42 H new ATOM 2565 N PHE B 65 7.877 27.410 1.952 1.00 3.22 N ATOM 2566 CA PHE B 65 8.523 28.167 0.887 1.00 51.24 C ATOM 2567 C PHE B 65 8.063 27.679 -0.484 1.00 44.13 C ATOM 2568 O PHE B 65 8.124 28.414 -1.469 1.00 61.53 O ATOM 2569 CB PHE B 65 10.045 28.047 0.997 1.00 33.14 C ATOM 2570 CG PHE B 65 10.704 29.283 1.541 1.00 11.11 C ATOM 2571 CD1 PHE B 65 10.120 29.999 2.573 1.00 22.30 C ATOM 2572 CD2 PHE B 65 11.909 29.728 1.019 1.00 2.15 C ATOM 2573 CE1 PHE B 65 10.725 31.136 3.076 1.00 2.32 C ATOM 2574 CE2 PHE B 65 12.519 30.863 1.518 1.00 4.54 C ATOM 2575 CZ PHE B 65 11.925 31.569 2.547 1.00 1.24 C ATOM 0 H PHE B 65 8.029 26.403 1.906 1.00 3.22 H new ATOM 0 HA PHE B 65 8.238 29.213 0.996 1.00 51.24 H new ATOM 0 HB2 PHE B 65 10.290 27.201 1.640 1.00 33.14 H new ATOM 0 HB3 PHE B 65 10.457 27.828 0.012 1.00 33.14 H new ATOM 0 HD1 PHE B 65 9.181 29.665 2.990 1.00 22.30 H new ATOM 0 HD2 PHE B 65 12.376 29.181 0.213 1.00 2.15 H new ATOM 0 HE1 PHE B 65 10.260 31.685 3.881 1.00 2.32 H new ATOM 0 HE2 PHE B 65 13.459 31.198 1.104 1.00 4.54 H new ATOM 0 HZ PHE B 65 12.399 32.458 2.937 1.00 1.24 H new ATOM 2585 N MET B 66 7.602 26.433 -0.538 1.00 55.55 N ATOM 2586 CA MET B 66 7.131 25.846 -1.787 1.00 63.34 C ATOM 2587 C MET B 66 6.011 26.687 -2.393 1.00 2.10 C ATOM 2588 O MET B 66 5.907 26.813 -3.614 1.00 23.20 O ATOM 2589 CB MET B 66 6.641 24.417 -1.551 1.00 52.14 C ATOM 2590 CG MET B 66 6.810 23.509 -2.758 1.00 45.22 C ATOM 2591 SD MET B 66 5.309 22.594 -3.156 1.00 33.32 S ATOM 2592 CE MET B 66 4.334 23.872 -3.946 1.00 54.53 C ATOM 0 H MET B 66 7.545 25.811 0.268 1.00 55.55 H new ATOM 0 HA MET B 66 7.966 25.824 -2.488 1.00 63.34 H new ATOM 0 HB2 MET B 66 7.183 23.991 -0.707 1.00 52.14 H new ATOM 0 HB3 MET B 66 5.588 24.444 -1.272 1.00 52.14 H new ATOM 0 HG2 MET B 66 7.105 24.108 -3.620 1.00 45.22 H new ATOM 0 HG3 MET B 66 7.620 22.805 -2.567 1.00 45.22 H new ATOM 0 HE1 MET B 66 3.371 23.958 -3.443 1.00 54.53 H new ATOM 0 HE2 MET B 66 4.862 24.823 -3.884 1.00 54.53 H new ATOM 0 HE3 MET B 66 4.175 23.613 -4.993 1.00 54.53 H new ATOM 2602 N THR B 67 5.175 27.259 -1.534 1.00 4.01 N ATOM 2603 CA THR B 67 4.062 28.086 -1.984 1.00 64.01 C ATOM 2604 C THR B 67 3.987 29.387 -1.192 1.00 4.11 C ATOM 2605 O THR B 67 3.005 30.122 -1.281 1.00 25.32 O ATOM 2606 CB THR B 67 2.720 27.341 -1.855 1.00 50.32 C ATOM 2607 OG1 THR B 67 2.882 25.971 -2.239 1.00 43.04 O ATOM 2608 CG2 THR B 67 1.654 27.993 -2.723 1.00 73.01 C ATOM 0 H THR B 67 5.247 27.165 -0.521 1.00 4.01 H new ATOM 0 HA THR B 67 4.243 28.314 -3.034 1.00 64.01 H new ATOM 0 HB THR B 67 2.400 27.391 -0.814 1.00 50.32 H new ATOM 0 HG1 THR B 67 2.029 25.500 -2.137 1.00 43.04 H new ATOM 0 HG21 THR B 67 0.715 27.450 -2.616 1.00 73.01 H new ATOM 0 HG22 THR B 67 1.513 29.027 -2.410 1.00 73.01 H new ATOM 0 HG23 THR B 67 1.970 27.969 -3.766 1.00 73.01 H new ATOM 2616 N ASN B 68 5.030 29.662 -0.416 1.00 11.41 N ATOM 2617 CA ASN B 68 5.081 30.875 0.392 1.00 74.22 C ATOM 2618 C ASN B 68 3.923 30.917 1.385 1.00 14.40 C ATOM 2619 O ASN B 68 3.317 31.965 1.603 1.00 0.14 O ATOM 2620 CB ASN B 68 5.042 32.114 -0.506 1.00 72.14 C ATOM 2621 CG ASN B 68 5.810 31.915 -1.798 1.00 24.42 C ATOM 2622 OD1 ASN B 68 6.866 31.282 -1.815 1.00 31.00 O ATOM 2623 ND2 ASN B 68 5.281 32.456 -2.889 1.00 25.24 N ATOM 0 H ASN B 68 5.850 29.062 -0.330 1.00 11.41 H new ATOM 0 HA ASN B 68 6.016 30.869 0.951 1.00 74.22 H new ATOM 0 HB2 ASN B 68 4.005 32.360 -0.737 1.00 72.14 H new ATOM 0 HB3 ASN B 68 5.459 32.964 0.034 1.00 72.14 H new ATOM 0 HD21 ASN B 68 5.752 32.355 -3.788 1.00 25.24 H new ATOM 0 HD22 ASN B 68 4.404 32.972 -2.828 1.00 25.24 H new ATOM 2630 N GLN B 69 3.622 29.768 1.983 1.00 42.21 N ATOM 2631 CA GLN B 69 2.537 29.674 2.952 1.00 70.13 C ATOM 2632 C GLN B 69 2.971 28.878 4.179 1.00 10.34 C ATOM 2633 O GLN B 69 3.280 27.690 4.080 1.00 41.40 O ATOM 2634 CB GLN B 69 1.310 29.021 2.313 1.00 35.41 C ATOM 2635 CG GLN B 69 0.003 29.376 3.005 1.00 60.42 C ATOM 2636 CD GLN B 69 -0.553 30.712 2.552 1.00 22.34 C ATOM 2637 OE1 GLN B 69 -1.043 30.846 1.429 1.00 42.13 O ATOM 2638 NE2 GLN B 69 -0.481 31.710 3.424 1.00 14.11 N ATOM 0 H GLN B 69 4.114 28.891 1.813 1.00 42.21 H new ATOM 0 HA GLN B 69 2.278 30.684 3.270 1.00 70.13 H new ATOM 0 HB2 GLN B 69 1.251 29.322 1.267 1.00 35.41 H new ATOM 0 HB3 GLN B 69 1.436 27.938 2.326 1.00 35.41 H new ATOM 0 HG2 GLN B 69 -0.732 28.595 2.808 1.00 60.42 H new ATOM 0 HG3 GLN B 69 0.162 29.400 4.083 1.00 60.42 H new ATOM 0 HE21 GLN B 69 -0.067 31.555 4.343 1.00 14.11 H new ATOM 0 HE22 GLN B 69 -0.839 32.632 3.175 1.00 14.11 H new ATOM 2647 N ILE B 70 2.989 29.538 5.331 1.00 24.34 N ATOM 2648 CA ILE B 70 3.383 28.891 6.575 1.00 24.43 C ATOM 2649 C ILE B 70 2.194 28.206 7.241 1.00 41.10 C ATOM 2650 O ILE B 70 1.132 28.805 7.401 1.00 43.13 O ATOM 2651 CB ILE B 70 4.000 29.900 7.564 1.00 12.12 C ATOM 2652 CG1 ILE B 70 3.048 31.077 7.783 1.00 1.24 C ATOM 2653 CG2 ILE B 70 5.347 30.387 7.052 1.00 40.03 C ATOM 2654 CD1 ILE B 70 2.568 31.209 9.211 1.00 23.21 C ATOM 0 H ILE B 70 2.735 30.521 5.429 1.00 24.34 H new ATOM 0 HA ILE B 70 4.132 28.142 6.317 1.00 24.43 H new ATOM 0 HB ILE B 70 4.157 29.401 8.520 1.00 12.12 H new ATOM 0 HG12 ILE B 70 3.550 31.999 7.490 1.00 1.24 H new ATOM 0 HG13 ILE B 70 2.185 30.962 7.127 1.00 1.24 H new ATOM 0 HG21 ILE B 70 5.770 31.099 7.761 1.00 40.03 H new ATOM 0 HG22 ILE B 70 6.023 29.539 6.942 1.00 40.03 H new ATOM 0 HG23 ILE B 70 5.215 30.873 6.085 1.00 40.03 H new ATOM 0 HD11 ILE B 70 1.897 32.064 9.292 1.00 23.21 H new ATOM 0 HD12 ILE B 70 2.037 30.303 9.502 1.00 23.21 H new ATOM 0 HD13 ILE B 70 3.424 31.355 9.870 1.00 23.21 H new ATOM 2666 N ALA B 71 2.383 26.948 7.625 1.00 31.41 N ATOM 2667 CA ALA B 71 1.326 26.183 8.277 1.00 42.14 C ATOM 2668 C ALA B 71 1.681 25.884 9.729 1.00 13.21 C ATOM 2669 O ALA B 71 2.050 24.765 10.085 1.00 44.11 O ATOM 2670 CB ALA B 71 1.067 24.890 7.517 1.00 21.42 C ATOM 0 H ALA B 71 3.256 26.437 7.496 1.00 31.41 H new ATOM 0 HA ALA B 71 0.417 26.785 8.270 1.00 42.14 H new ATOM 0 HB1 ALA B 71 0.276 24.328 8.014 1.00 21.42 H new ATOM 0 HB2 ALA B 71 0.761 25.123 6.497 1.00 21.42 H new ATOM 0 HB3 ALA B 71 1.978 24.292 7.495 1.00 21.42 H new ATOM 2676 N PRO B 72 1.568 26.907 10.589 1.00 64.10 N ATOM 2677 CA PRO B 72 1.873 26.778 12.017 1.00 11.04 C ATOM 2678 C PRO B 72 0.850 25.919 12.753 1.00 33.42 C ATOM 2679 O PRO B 72 1.027 25.595 13.926 1.00 25.43 O ATOM 2680 CB PRO B 72 1.822 28.222 12.523 1.00 2.43 C ATOM 2681 CG PRO B 72 0.919 28.925 11.570 1.00 51.11 C ATOM 2682 CD PRO B 72 1.135 28.268 10.233 1.00 31.23 C ATOM 0 HA PRO B 72 2.831 26.286 12.186 1.00 11.04 H new ATOM 0 HB2 PRO B 72 1.438 28.271 13.542 1.00 2.43 H new ATOM 0 HB3 PRO B 72 2.814 28.673 12.534 1.00 2.43 H new ATOM 0 HG2 PRO B 72 -0.122 28.840 11.883 1.00 51.11 H new ATOM 0 HG3 PRO B 72 1.152 29.989 11.524 1.00 51.11 H new ATOM 0 HD2 PRO B 72 0.222 28.257 9.638 1.00 31.23 H new ATOM 0 HD3 PRO B 72 1.891 28.790 9.646 1.00 31.23 H new ATOM 2690 N GLU B 73 -0.220 25.552 12.055 1.00 4.23 N ATOM 2691 CA GLU B 73 -1.272 24.731 12.643 1.00 61.34 C ATOM 2692 C GLU B 73 -0.855 23.263 12.685 1.00 54.44 C ATOM 2693 O GLU B 73 -1.583 22.416 13.202 1.00 31.22 O ATOM 2694 CB GLU B 73 -2.571 24.881 11.850 1.00 60.13 C ATOM 2695 CG GLU B 73 -3.691 25.543 12.636 1.00 64.33 C ATOM 2696 CD GLU B 73 -3.948 26.971 12.198 1.00 11.13 C ATOM 2697 OE1 GLU B 73 -3.074 27.831 12.438 1.00 41.10 O ATOM 2698 OE2 GLU B 73 -5.022 27.229 11.614 1.00 33.02 O ATOM 0 H GLU B 73 -0.381 25.810 11.082 1.00 4.23 H new ATOM 0 HA GLU B 73 -1.438 25.074 13.664 1.00 61.34 H new ATOM 0 HB2 GLU B 73 -2.373 25.467 10.952 1.00 60.13 H new ATOM 0 HB3 GLU B 73 -2.902 23.896 11.521 1.00 60.13 H new ATOM 0 HG2 GLU B 73 -4.605 24.961 12.518 1.00 64.33 H new ATOM 0 HG3 GLU B 73 -3.441 25.532 13.697 1.00 64.33 H new ATOM 2705 N SER B 74 0.319 22.972 12.137 1.00 3.13 N ATOM 2706 CA SER B 74 0.832 21.606 12.108 1.00 54.43 C ATOM 2707 C SER B 74 2.345 21.590 12.297 1.00 41.34 C ATOM 2708 O SER B 74 3.054 20.821 11.650 1.00 62.25 O ATOM 2709 CB SER B 74 0.463 20.929 10.787 1.00 12.33 C ATOM 2710 OG SER B 74 -0.871 20.455 10.811 1.00 21.43 O ATOM 0 H SER B 74 0.934 23.663 11.707 1.00 3.13 H new ATOM 0 HA SER B 74 0.376 21.055 12.930 1.00 54.43 H new ATOM 0 HB2 SER B 74 0.586 21.635 9.966 1.00 12.33 H new ATOM 0 HB3 SER B 74 1.144 20.099 10.598 1.00 12.33 H new ATOM 0 HG SER B 74 -0.948 19.665 10.236 1.00 21.43 H new ATOM 2716 N GLY B 75 2.834 22.445 13.189 1.00 32.12 N ATOM 2717 CA GLY B 75 4.260 22.514 13.449 1.00 40.12 C ATOM 2718 C GLY B 75 5.061 22.836 12.203 1.00 61.53 C ATOM 2719 O GLY B 75 6.122 22.257 11.973 1.00 74.03 O ATOM 0 H GLY B 75 2.267 23.092 13.737 1.00 32.12 H new ATOM 0 HA2 GLY B 75 4.452 23.274 14.207 1.00 40.12 H new ATOM 0 HA3 GLY B 75 4.598 21.562 13.859 1.00 40.12 H new ATOM 2723 N GLN B 76 4.551 23.762 11.397 1.00 5.14 N ATOM 2724 CA GLN B 76 5.226 24.158 10.167 1.00 30.43 C ATOM 2725 C GLN B 76 5.371 25.674 10.089 1.00 1.04 C ATOM 2726 O GLN B 76 4.384 26.396 9.945 1.00 20.13 O ATOM 2727 CB GLN B 76 4.454 23.646 8.949 1.00 34.10 C ATOM 2728 CG GLN B 76 5.188 22.562 8.175 1.00 32.22 C ATOM 2729 CD GLN B 76 5.214 22.827 6.683 1.00 51.40 C ATOM 2730 OE1 GLN B 76 4.482 22.197 5.917 1.00 11.02 O ATOM 2731 NE2 GLN B 76 6.057 23.761 6.261 1.00 72.22 N ATOM 0 H GLN B 76 3.674 24.251 11.574 1.00 5.14 H new ATOM 0 HA GLN B 76 6.222 23.715 10.171 1.00 30.43 H new ATOM 0 HB2 GLN B 76 3.490 23.257 9.277 1.00 34.10 H new ATOM 0 HB3 GLN B 76 4.249 24.483 8.281 1.00 34.10 H new ATOM 0 HG2 GLN B 76 6.211 22.486 8.545 1.00 32.22 H new ATOM 0 HG3 GLN B 76 4.709 21.601 8.361 1.00 32.22 H new ATOM 0 HE21 GLN B 76 6.644 24.258 6.931 1.00 72.22 H new ATOM 0 HE22 GLN B 76 6.117 23.982 5.267 1.00 72.22 H new ATOM 2740 N ILE B 77 6.608 26.151 10.187 1.00 41.52 N ATOM 2741 CA ILE B 77 6.881 27.582 10.128 1.00 50.31 C ATOM 2742 C ILE B 77 8.212 27.858 9.436 1.00 5.22 C ATOM 2743 O ILE B 77 8.954 26.934 9.103 1.00 61.33 O ATOM 2744 CB ILE B 77 6.906 28.209 11.533 1.00 44.11 C ATOM 2745 CG1 ILE B 77 8.231 27.896 12.233 1.00 70.24 C ATOM 2746 CG2 ILE B 77 5.733 27.703 12.360 1.00 64.41 C ATOM 2747 CD1 ILE B 77 8.498 26.415 12.385 1.00 2.32 C ATOM 0 H ILE B 77 7.436 25.568 10.307 1.00 41.52 H new ATOM 0 HA ILE B 77 6.073 28.034 9.553 1.00 50.31 H new ATOM 0 HB ILE B 77 6.816 29.291 11.433 1.00 44.11 H new ATOM 0 HG12 ILE B 77 9.047 28.348 11.669 1.00 70.24 H new ATOM 0 HG13 ILE B 77 8.230 28.360 13.219 1.00 70.24 H new ATOM 0 HG21 ILE B 77 5.765 28.156 13.351 1.00 64.41 H new ATOM 0 HG22 ILE B 77 4.798 27.972 11.868 1.00 64.41 H new ATOM 0 HG23 ILE B 77 5.795 26.619 12.454 1.00 64.41 H new ATOM 0 HD11 ILE B 77 9.453 26.267 12.889 1.00 2.32 H new ATOM 0 HD12 ILE B 77 7.702 25.961 12.975 1.00 2.32 H new ATOM 0 HD13 ILE B 77 8.531 25.948 11.400 1.00 2.32 H new ATOM 2759 N ALA B 78 8.509 29.136 9.226 1.00 60.23 N ATOM 2760 CA ALA B 78 9.753 29.535 8.578 1.00 30.33 C ATOM 2761 C ALA B 78 10.881 29.675 9.595 1.00 42.43 C ATOM 2762 O ALA B 78 10.667 30.050 10.748 1.00 1.45 O ATOM 2763 CB ALA B 78 9.558 30.839 7.819 1.00 22.31 C ATOM 0 H ALA B 78 7.905 29.913 9.495 1.00 60.23 H new ATOM 0 HA ALA B 78 10.032 28.754 7.870 1.00 30.33 H new ATOM 0 HB1 ALA B 78 10.495 31.125 7.340 1.00 22.31 H new ATOM 0 HB2 ALA B 78 8.788 30.706 7.059 1.00 22.31 H new ATOM 0 HB3 ALA B 78 9.252 31.622 8.513 1.00 22.31 H new ATOM 2769 N PRO B 79 12.112 29.367 9.160 1.00 54.52 N ATOM 2770 CA PRO B 79 13.298 29.453 10.017 1.00 53.33 C ATOM 2771 C PRO B 79 13.670 30.893 10.352 1.00 52.42 C ATOM 2772 O PRO B 79 12.884 31.814 10.131 1.00 11.10 O ATOM 2773 CB PRO B 79 14.394 28.800 9.171 1.00 0.21 C ATOM 2774 CG PRO B 79 13.943 28.978 7.763 1.00 1.12 C ATOM 2775 CD PRO B 79 12.441 28.914 7.798 1.00 63.55 C ATOM 0 HA PRO B 79 13.139 28.970 10.981 1.00 53.33 H new ATOM 0 HB2 PRO B 79 15.360 29.275 9.340 1.00 0.21 H new ATOM 0 HB3 PRO B 79 14.510 27.745 9.419 1.00 0.21 H new ATOM 0 HG2 PRO B 79 14.284 29.933 7.362 1.00 1.12 H new ATOM 0 HG3 PRO B 79 14.352 28.198 7.121 1.00 1.12 H new ATOM 0 HD2 PRO B 79 11.994 29.558 7.041 1.00 63.55 H new ATOM 0 HD3 PRO B 79 12.077 27.903 7.612 1.00 63.55 H new ATOM 2783 N ALA B 80 14.872 31.080 10.887 1.00 25.42 N ATOM 2784 CA ALA B 80 15.349 32.409 11.250 1.00 0.54 C ATOM 2785 C ALA B 80 16.100 33.057 10.092 1.00 35.22 C ATOM 2786 O ALA B 80 16.197 34.283 10.010 1.00 62.14 O ATOM 2787 CB ALA B 80 16.238 32.332 12.481 1.00 73.13 C ATOM 0 H ALA B 80 15.534 30.328 11.079 1.00 25.42 H new ATOM 0 HA ALA B 80 14.483 33.029 11.480 1.00 0.54 H new ATOM 0 HB1 ALA B 80 16.587 33.331 12.741 1.00 73.13 H new ATOM 0 HB2 ALA B 80 15.670 31.918 13.314 1.00 73.13 H new ATOM 0 HB3 ALA B 80 17.095 31.691 12.272 1.00 73.13 H new ATOM 2793 N LEU B 81 16.630 32.229 9.199 1.00 30.02 N ATOM 2794 CA LEU B 81 17.373 32.723 8.045 1.00 34.04 C ATOM 2795 C LEU B 81 16.436 33.018 6.878 1.00 42.43 C ATOM 2796 O LEU B 81 16.737 33.849 6.021 1.00 23.42 O ATOM 2797 CB LEU B 81 18.430 31.702 7.618 1.00 64.45 C ATOM 2798 CG LEU B 81 19.422 31.272 8.699 1.00 64.45 C ATOM 2799 CD1 LEU B 81 18.986 29.961 9.334 1.00 35.40 C ATOM 2800 CD2 LEU B 81 20.822 31.143 8.117 1.00 62.22 C ATOM 0 H LEU B 81 16.559 31.213 9.252 1.00 30.02 H new ATOM 0 HA LEU B 81 17.867 33.651 8.334 1.00 34.04 H new ATOM 0 HB2 LEU B 81 17.919 30.813 7.247 1.00 64.45 H new ATOM 0 HB3 LEU B 81 18.992 32.119 6.782 1.00 64.45 H new ATOM 0 HG LEU B 81 19.440 32.039 9.473 1.00 64.45 H new ATOM 0 HD11 LEU B 81 19.705 29.671 10.101 1.00 35.40 H new ATOM 0 HD12 LEU B 81 18.002 30.085 9.787 1.00 35.40 H new ATOM 0 HD13 LEU B 81 18.938 29.185 8.570 1.00 35.40 H new ATOM 0 HD21 LEU B 81 21.515 30.836 8.901 1.00 62.22 H new ATOM 0 HD22 LEU B 81 20.819 30.396 7.323 1.00 62.22 H new ATOM 0 HD23 LEU B 81 21.137 32.104 7.710 1.00 62.22 H new ATOM 2812 N ALA B 82 15.296 32.334 6.854 1.00 60.51 N ATOM 2813 CA ALA B 82 14.312 32.527 5.795 1.00 44.45 C ATOM 2814 C ALA B 82 14.009 34.007 5.591 1.00 20.32 C ATOM 2815 O ALA B 82 14.087 34.518 4.472 1.00 2.23 O ATOM 2816 CB ALA B 82 13.036 31.765 6.117 1.00 40.20 C ATOM 0 H ALA B 82 15.031 31.642 7.555 1.00 60.51 H new ATOM 0 HA ALA B 82 14.731 32.138 4.867 1.00 44.45 H new ATOM 0 HB1 ALA B 82 12.310 31.918 5.319 1.00 40.20 H new ATOM 0 HB2 ALA B 82 13.260 30.702 6.206 1.00 40.20 H new ATOM 0 HB3 ALA B 82 12.623 32.129 7.058 1.00 40.20 H new ATOM 2822 N HIS B 83 13.662 34.692 6.676 1.00 22.34 N ATOM 2823 CA HIS B 83 13.346 36.114 6.614 1.00 63.42 C ATOM 2824 C HIS B 83 12.115 36.360 5.747 1.00 41.50 C ATOM 2825 O HIS B 83 11.864 37.485 5.313 1.00 61.44 O ATOM 2826 CB HIS B 83 14.538 36.899 6.064 1.00 44.31 C ATOM 2827 CG HIS B 83 15.243 37.719 7.099 1.00 73.22 C ATOM 2828 ND1 HIS B 83 15.057 39.079 7.237 1.00 55.33 N ATOM 2829 CD2 HIS B 83 16.140 37.366 8.050 1.00 3.54 C ATOM 2830 CE1 HIS B 83 15.809 39.525 8.228 1.00 61.52 C ATOM 2831 NE2 HIS B 83 16.475 38.506 8.738 1.00 31.24 N ATOM 0 H HIS B 83 13.593 34.285 7.609 1.00 22.34 H new ATOM 0 HA HIS B 83 13.130 36.458 7.626 1.00 63.42 H new ATOM 0 HB2 HIS B 83 15.248 36.202 5.619 1.00 44.31 H new ATOM 0 HB3 HIS B 83 14.193 37.555 5.265 1.00 44.31 H new ATOM 0 HD2 HIS B 83 16.521 36.372 8.233 1.00 3.54 H new ATOM 0 HE1 HIS B 83 15.869 40.550 8.564 1.00 61.52 H new ATOM 0 HE2 HIS B 83 17.132 38.557 9.517 1.00 31.24 H new ATOM 2839 N PHE B 84 11.352 35.302 5.497 1.00 53.42 N ATOM 2840 CA PHE B 84 10.149 35.403 4.680 1.00 42.43 C ATOM 2841 C PHE B 84 8.896 35.378 5.550 1.00 52.55 C ATOM 2842 O PHE B 84 8.197 36.381 5.681 1.00 52.41 O ATOM 2843 CB PHE B 84 10.100 34.261 3.662 1.00 71.00 C ATOM 2844 CG PHE B 84 10.076 34.729 2.235 1.00 12.12 C ATOM 2845 CD1 PHE B 84 11.203 35.292 1.659 1.00 61.02 C ATOM 2846 CD2 PHE B 84 8.928 34.606 1.471 1.00 2.13 C ATOM 2847 CE1 PHE B 84 11.184 35.725 0.346 1.00 75.43 C ATOM 2848 CE2 PHE B 84 8.901 35.037 0.157 1.00 63.12 C ATOM 2849 CZ PHE B 84 10.032 35.596 -0.406 1.00 4.43 C ATOM 0 H PHE B 84 11.545 34.364 5.849 1.00 53.42 H new ATOM 0 HA PHE B 84 10.181 36.354 4.148 1.00 42.43 H new ATOM 0 HB2 PHE B 84 10.966 33.616 3.810 1.00 71.00 H new ATOM 0 HB3 PHE B 84 9.215 33.654 3.852 1.00 71.00 H new ATOM 0 HD1 PHE B 84 12.106 35.394 2.242 1.00 61.02 H new ATOM 0 HD2 PHE B 84 8.042 34.168 1.907 1.00 2.13 H new ATOM 0 HE1 PHE B 84 12.069 36.164 -0.091 1.00 75.43 H new ATOM 0 HE2 PHE B 84 7.998 34.937 -0.427 1.00 63.12 H new ATOM 0 HZ PHE B 84 10.016 35.932 -1.432 1.00 4.43 H new ATOM 2859 N GLY B 85 8.619 34.220 6.145 1.00 21.14 N ATOM 2860 CA GLY B 85 7.451 34.084 6.995 1.00 12.21 C ATOM 2861 C GLY B 85 7.696 34.593 8.402 1.00 31.01 C ATOM 2862 O GLY B 85 7.743 35.801 8.632 1.00 44.13 O ATOM 0 H GLY B 85 9.183 33.375 6.053 1.00 21.14 H new ATOM 0 HA2 GLY B 85 6.618 34.632 6.554 1.00 12.21 H new ATOM 0 HA3 GLY B 85 7.156 33.035 7.037 1.00 12.21 H new ATOM 2866 N GLN B 86 7.850 33.669 9.345 1.00 3.43 N ATOM 2867 CA GLN B 86 8.088 34.031 10.737 1.00 12.21 C ATOM 2868 C GLN B 86 7.034 35.017 11.231 1.00 13.14 C ATOM 2869 O GLN B 86 7.347 35.971 11.941 1.00 55.43 O ATOM 2870 CB GLN B 86 9.484 34.637 10.896 1.00 53.42 C ATOM 2871 CG GLN B 86 10.160 34.271 12.208 1.00 53.00 C ATOM 2872 CD GLN B 86 9.219 34.355 13.393 1.00 33.32 C ATOM 2873 OE1 GLN B 86 8.989 35.434 13.941 1.00 54.14 O ATOM 2874 NE2 GLN B 86 8.669 33.216 13.795 1.00 34.34 N ATOM 0 H GLN B 86 7.814 32.665 9.170 1.00 3.43 H new ATOM 0 HA GLN B 86 8.022 33.125 11.339 1.00 12.21 H new ATOM 0 HB2 GLN B 86 10.111 34.305 10.069 1.00 53.42 H new ATOM 0 HB3 GLN B 86 9.410 35.722 10.825 1.00 53.42 H new ATOM 0 HG2 GLN B 86 10.559 33.259 12.137 1.00 53.00 H new ATOM 0 HG3 GLN B 86 11.007 34.937 12.374 1.00 53.00 H new ATOM 0 HE21 GLN B 86 8.888 32.345 13.311 1.00 34.34 H new ATOM 0 HE22 GLN B 86 8.027 33.211 14.588 1.00 34.34 H new ATOM 2883 N ASN B 87 5.783 34.777 10.851 1.00 61.14 N ATOM 2884 CA ASN B 87 4.683 35.644 11.255 1.00 22.41 C ATOM 2885 C ASN B 87 3.341 35.048 10.840 1.00 34.44 C ATOM 2886 O ASN B 87 3.116 34.759 9.666 1.00 43.53 O ATOM 2887 CB ASN B 87 4.848 37.034 10.639 1.00 1.54 C ATOM 2888 CG ASN B 87 3.921 38.058 11.264 1.00 64.20 C ATOM 2889 OD1 ASN B 87 3.197 37.758 12.214 1.00 64.54 O ATOM 2890 ND2 ASN B 87 3.939 39.276 10.734 1.00 70.15 N ATOM 0 H ASN B 87 5.506 33.990 10.264 1.00 61.14 H new ATOM 0 HA ASN B 87 4.702 35.731 12.341 1.00 22.41 H new ATOM 0 HB2 ASN B 87 5.881 37.361 10.760 1.00 1.54 H new ATOM 0 HB3 ASN B 87 4.654 36.979 9.568 1.00 1.54 H new ATOM 0 HD21 ASN B 87 3.337 40.006 11.114 1.00 70.15 H new ATOM 0 HD22 ASN B 87 4.555 39.481 9.947 1.00 70.15 H new ATOM 2897 N GLU B 88 2.452 34.870 11.814 1.00 72.14 N ATOM 2898 CA GLU B 88 1.133 34.308 11.548 1.00 60.50 C ATOM 2899 C GLU B 88 0.239 35.327 10.847 1.00 51.31 C ATOM 2900 O GLU B 88 0.413 36.536 11.004 1.00 64.11 O ATOM 2901 CB GLU B 88 0.477 33.852 12.853 1.00 11.22 C ATOM 2902 CG GLU B 88 1.118 32.613 13.456 1.00 72.12 C ATOM 2903 CD GLU B 88 1.980 32.931 14.663 1.00 70.14 C ATOM 2904 OE1 GLU B 88 3.132 33.373 14.469 1.00 31.35 O ATOM 2905 OE2 GLU B 88 1.502 32.738 15.800 1.00 44.44 O ATOM 0 H GLU B 88 2.621 35.106 12.792 1.00 72.14 H new ATOM 0 HA GLU B 88 1.258 33.447 10.891 1.00 60.50 H new ATOM 0 HB2 GLU B 88 0.525 34.665 13.577 1.00 11.22 H new ATOM 0 HB3 GLU B 88 -0.578 33.652 12.669 1.00 11.22 H new ATOM 0 HG2 GLU B 88 0.338 31.910 13.747 1.00 72.12 H new ATOM 0 HG3 GLU B 88 1.727 32.119 12.699 1.00 72.12 H new ATOM 2912 N THR B 89 -0.718 34.830 10.070 1.00 72.22 N ATOM 2913 CA THR B 89 -1.638 35.694 9.342 1.00 72.03 C ATOM 2914 C THR B 89 -3.085 35.268 9.563 1.00 64.32 C ATOM 2915 O THR B 89 -3.352 34.225 10.162 1.00 11.41 O ATOM 2916 CB THR B 89 -1.339 35.687 7.831 1.00 44.43 C ATOM 2917 OG1 THR B 89 -0.585 34.519 7.486 1.00 72.23 O ATOM 2918 CG2 THR B 89 -0.567 36.934 7.426 1.00 55.41 C ATOM 0 H THR B 89 -0.876 33.832 9.929 1.00 72.22 H new ATOM 0 HA THR B 89 -1.496 36.703 9.729 1.00 72.03 H new ATOM 0 HB THR B 89 -2.288 35.677 7.295 1.00 44.43 H new ATOM 0 HG1 THR B 89 -0.401 34.521 6.524 1.00 72.23 H new ATOM 0 HG21 THR B 89 -0.367 36.907 6.355 1.00 55.41 H new ATOM 0 HG22 THR B 89 -1.156 37.820 7.663 1.00 55.41 H new ATOM 0 HG23 THR B 89 0.377 36.970 7.970 1.00 55.41 H new ATOM 2926 N THR B 90 -4.017 36.082 9.079 1.00 33.34 N ATOM 2927 CA THR B 90 -5.438 35.790 9.225 1.00 70.14 C ATOM 2928 C THR B 90 -5.887 34.731 8.225 1.00 13.32 C ATOM 2929 O THR B 90 -6.004 35.002 7.029 1.00 24.44 O ATOM 2930 CB THR B 90 -6.294 37.056 9.033 1.00 21.30 C ATOM 2931 OG1 THR B 90 -5.910 37.730 7.830 1.00 24.01 O ATOM 2932 CG2 THR B 90 -6.141 37.997 10.220 1.00 74.34 C ATOM 0 H THR B 90 -3.814 36.949 8.582 1.00 33.34 H new ATOM 0 HA THR B 90 -5.581 35.414 10.238 1.00 70.14 H new ATOM 0 HB THR B 90 -7.339 36.754 8.961 1.00 21.30 H new ATOM 0 HG1 THR B 90 -5.904 37.093 7.086 1.00 24.01 H new ATOM 0 HG21 THR B 90 -6.754 38.884 10.062 1.00 74.34 H new ATOM 0 HG22 THR B 90 -6.463 37.490 11.130 1.00 74.34 H new ATOM 0 HG23 THR B 90 -5.096 38.291 10.319 1.00 74.34 H new ATOM 2940 N SER B 91 -6.139 33.524 8.721 1.00 21.33 N ATOM 2941 CA SER B 91 -6.573 32.423 7.869 1.00 52.45 C ATOM 2942 C SER B 91 -7.923 31.881 8.328 1.00 40.41 C ATOM 2943 O SER B 91 -8.353 32.091 9.464 1.00 20.02 O ATOM 2944 CB SER B 91 -5.532 31.302 7.879 1.00 73.32 C ATOM 2945 OG SER B 91 -4.998 31.092 6.584 1.00 4.32 O ATOM 0 H SER B 91 -6.050 33.284 9.708 1.00 21.33 H new ATOM 0 HA SER B 91 -6.679 32.803 6.853 1.00 52.45 H new ATOM 0 HB2 SER B 91 -4.728 31.554 8.571 1.00 73.32 H new ATOM 0 HB3 SER B 91 -5.988 30.381 8.242 1.00 73.32 H new ATOM 0 HG SER B 91 -4.334 30.372 6.617 1.00 4.32 H new ATOM 2951 N PRO B 92 -8.611 31.166 7.425 1.00 53.44 N ATOM 2952 CA PRO B 92 -9.924 30.579 7.714 1.00 21.04 C ATOM 2953 C PRO B 92 -9.836 29.424 8.705 1.00 43.21 C ATOM 2954 O PRO B 92 -8.790 28.789 8.844 1.00 61.11 O ATOM 2955 CB PRO B 92 -10.394 30.076 6.346 1.00 71.35 C ATOM 2956 CG PRO B 92 -9.141 29.841 5.576 1.00 30.20 C ATOM 2957 CD PRO B 92 -8.162 30.878 6.053 1.00 2.15 C ATOM 0 HA PRO B 92 -10.601 31.298 8.175 1.00 21.04 H new ATOM 0 HB2 PRO B 92 -10.978 29.160 6.440 1.00 71.35 H new ATOM 0 HB3 PRO B 92 -11.030 30.810 5.852 1.00 71.35 H new ATOM 0 HG2 PRO B 92 -8.759 28.835 5.749 1.00 30.20 H new ATOM 0 HG3 PRO B 92 -9.318 29.935 4.505 1.00 30.20 H new ATOM 0 HD2 PRO B 92 -7.139 30.503 6.036 1.00 2.15 H new ATOM 0 HD3 PRO B 92 -8.185 31.770 5.427 1.00 2.15 H new ATOM 2965 N HIS B 93 -10.942 29.156 9.393 1.00 34.50 N ATOM 2966 CA HIS B 93 -10.989 28.075 10.371 1.00 54.15 C ATOM 2967 C HIS B 93 -11.004 26.715 9.679 1.00 12.25 C ATOM 2968 O HIS B 93 -11.432 26.597 8.531 1.00 33.42 O ATOM 2969 CB HIS B 93 -12.224 28.220 11.262 1.00 0.42 C ATOM 2970 CG HIS B 93 -11.952 28.935 12.549 1.00 62.42 C ATOM 2971 ND1 HIS B 93 -11.428 30.208 12.607 1.00 13.24 N ATOM 2972 CD2 HIS B 93 -12.138 28.547 13.833 1.00 50.12 C ATOM 2973 CE1 HIS B 93 -11.301 30.574 13.870 1.00 55.53 C ATOM 2974 NE2 HIS B 93 -11.725 29.583 14.634 1.00 23.02 N ATOM 0 H HIS B 93 -11.816 29.672 9.291 1.00 34.50 H new ATOM 0 HA HIS B 93 -10.093 28.138 10.989 1.00 54.15 H new ATOM 0 HB2 HIS B 93 -12.997 28.758 10.713 1.00 0.42 H new ATOM 0 HB3 HIS B 93 -12.621 27.229 11.483 1.00 0.42 H new ATOM 0 HD2 HIS B 93 -12.537 27.600 14.165 1.00 50.12 H new ATOM 0 HE1 HIS B 93 -10.916 31.521 14.218 1.00 55.53 H new ATOM 0 HE2 HIS B 93 -11.743 29.587 15.654 1.00 23.02 H new ATOM 2982 N SER B 94 -10.532 25.692 10.385 1.00 3.43 N ATOM 2983 CA SER B 94 -10.486 24.342 9.836 1.00 1.32 C ATOM 2984 C SER B 94 -11.368 23.396 10.646 1.00 64.45 C ATOM 2985 O SER B 94 -11.397 23.457 11.876 1.00 61.34 O ATOM 2986 CB SER B 94 -9.047 23.825 9.818 1.00 12.44 C ATOM 2987 OG SER B 94 -9.006 22.421 10.001 1.00 54.11 O ATOM 0 H SER B 94 -10.176 25.773 11.338 1.00 3.43 H new ATOM 0 HA SER B 94 -10.864 24.379 8.814 1.00 1.32 H new ATOM 0 HB2 SER B 94 -8.576 24.085 8.870 1.00 12.44 H new ATOM 0 HB3 SER B 94 -8.472 24.314 10.604 1.00 12.44 H new ATOM 0 HG SER B 94 -8.275 22.043 9.469 1.00 54.11 H new ATOM 2993 N GLY B 95 -12.085 22.522 9.948 1.00 1.35 N ATOM 2994 CA GLY B 95 -12.958 21.576 10.618 1.00 64.00 C ATOM 2995 C GLY B 95 -13.900 20.876 9.658 1.00 62.35 C ATOM 2996 O GLY B 95 -15.118 21.016 9.761 1.00 43.33 O ATOM 0 H GLY B 95 -12.077 22.452 8.930 1.00 1.35 H new ATOM 0 HA2 GLY B 95 -12.353 20.832 11.136 1.00 64.00 H new ATOM 0 HA3 GLY B 95 -13.540 22.098 11.377 1.00 64.00 H new ATOM 3000 N GLN B 96 -13.335 20.122 8.721 1.00 50.51 N ATOM 3001 CA GLN B 96 -14.133 19.400 7.737 1.00 72.12 C ATOM 3002 C GLN B 96 -13.915 17.896 7.857 1.00 65.24 C ATOM 3003 O GLN B 96 -12.806 17.438 8.134 1.00 63.21 O ATOM 3004 CB GLN B 96 -13.782 19.867 6.323 1.00 43.41 C ATOM 3005 CG GLN B 96 -14.357 21.229 5.971 1.00 33.45 C ATOM 3006 CD GLN B 96 -15.691 21.133 5.258 1.00 33.12 C ATOM 3007 OE1 GLN B 96 -16.709 21.620 5.751 1.00 74.24 O ATOM 3008 NE2 GLN B 96 -15.694 20.502 4.089 1.00 2.42 N ATOM 0 H GLN B 96 -12.328 19.995 8.622 1.00 50.51 H new ATOM 0 HA GLN B 96 -15.184 19.613 7.932 1.00 72.12 H new ATOM 0 HB2 GLN B 96 -12.697 19.902 6.220 1.00 43.41 H new ATOM 0 HB3 GLN B 96 -14.147 19.132 5.606 1.00 43.41 H new ATOM 0 HG2 GLN B 96 -14.478 21.815 6.882 1.00 33.45 H new ATOM 0 HG3 GLN B 96 -13.649 21.765 5.339 1.00 33.45 H new ATOM 0 HE21 GLN B 96 -14.827 20.113 3.717 1.00 2.42 H new ATOM 0 HE22 GLN B 96 -16.563 20.406 3.563 1.00 2.42 H new ATOM 3017 N LYS B 97 -14.980 17.130 7.649 1.00 34.32 N ATOM 3018 CA LYS B 97 -14.907 15.676 7.733 1.00 14.32 C ATOM 3019 C LYS B 97 -14.879 15.052 6.342 1.00 71.32 C ATOM 3020 O LYS B 97 -15.363 15.640 5.375 1.00 33.34 O ATOM 3021 CB LYS B 97 -16.098 15.130 8.524 1.00 35.20 C ATOM 3022 CG LYS B 97 -15.700 14.410 9.801 1.00 51.33 C ATOM 3023 CD LYS B 97 -15.688 12.902 9.609 1.00 44.12 C ATOM 3024 CE LYS B 97 -15.291 12.182 10.888 1.00 74.43 C ATOM 3025 NZ LYS B 97 -16.297 11.157 11.284 1.00 5.41 N ATOM 0 H LYS B 97 -15.906 17.492 7.421 1.00 34.32 H new ATOM 0 HA LYS B 97 -13.984 15.413 8.249 1.00 14.32 H new ATOM 0 HB2 LYS B 97 -16.766 15.954 8.774 1.00 35.20 H new ATOM 0 HB3 LYS B 97 -16.661 14.445 7.890 1.00 35.20 H new ATOM 0 HG2 LYS B 97 -14.712 14.746 10.117 1.00 51.33 H new ATOM 0 HG3 LYS B 97 -16.395 14.671 10.599 1.00 51.33 H new ATOM 0 HD2 LYS B 97 -16.676 12.566 9.292 1.00 44.12 H new ATOM 0 HD3 LYS B 97 -14.992 12.641 8.812 1.00 44.12 H new ATOM 0 HE2 LYS B 97 -14.321 11.704 10.749 1.00 74.43 H new ATOM 0 HE3 LYS B 97 -15.177 12.908 11.693 1.00 74.43 H new ATOM 0 HZ1 LYS B 97 -15.989 10.689 12.160 1.00 5.41 H new ATOM 0 HZ2 LYS B 97 -17.217 11.616 11.441 1.00 5.41 H new ATOM 0 HZ3 LYS B 97 -16.388 10.449 10.527 1.00 5.41 H new ATOM 3039 N THR B 98 -14.309 13.854 6.248 1.00 34.52 N ATOM 3040 CA THR B 98 -14.218 13.150 4.975 1.00 3.20 C ATOM 3041 C THR B 98 -15.576 12.604 4.549 1.00 4.23 C ATOM 3042 O THR B 98 -16.400 12.241 5.387 1.00 73.42 O ATOM 3043 CB THR B 98 -13.210 11.986 5.048 1.00 33.41 C ATOM 3044 OG1 THR B 98 -13.348 11.296 6.295 1.00 41.12 O ATOM 3045 CG2 THR B 98 -11.785 12.495 4.900 1.00 31.23 C ATOM 0 H THR B 98 -13.904 13.352 7.038 1.00 34.52 H new ATOM 0 HA THR B 98 -13.874 13.875 4.237 1.00 3.20 H new ATOM 0 HB THR B 98 -13.421 11.300 4.228 1.00 33.41 H new ATOM 0 HG1 THR B 98 -12.705 10.557 6.333 1.00 41.12 H new ATOM 0 HG21 THR B 98 -11.091 11.656 4.955 1.00 31.23 H new ATOM 0 HG22 THR B 98 -11.675 12.994 3.937 1.00 31.23 H new ATOM 0 HG23 THR B 98 -11.565 13.200 5.702 1.00 31.23 H new ATOM 3053 N GLY B 99 -15.803 12.550 3.240 1.00 24.23 N ATOM 3054 CA GLY B 99 -17.064 12.047 2.726 1.00 5.30 C ATOM 3055 C GLY B 99 -17.996 13.159 2.286 1.00 13.10 C ATOM 3056 O GLY B 99 -18.579 13.854 3.118 1.00 22.51 O ATOM 0 H GLY B 99 -15.137 12.845 2.527 1.00 24.23 H new ATOM 0 HA2 GLY B 99 -16.871 11.384 1.883 1.00 5.30 H new ATOM 0 HA3 GLY B 99 -17.554 11.450 3.495 1.00 5.30 H new TER 3060 GLY B 99