USER MOD reduce.3.24.130724 H: found=0, std=0, add=1352, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1325 hydrogens (76 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 NoAdj-H: B 201 DAL H2 : B 201 DAL N : B 211 ALA C :(H bumps) USER MOD NoAdj-H: B 202 MLE H : B 202 MLE N : B 201 DAL C :(H bumps) USER MOD NoAdj-H: B 203 MLE H : B 203 MLE N : B 202 MLE C :(H bumps) USER MOD NoAdj-H: B 204 MVA H : B 204 MVA N : B 203 MLE C :(H bumps) USER MOD NoAdj-H: B 205 BMT H : B 205 BMT N : B 204 MVA C :(H bumps) USER MOD NoAdj-H: B 206 ABA HN2 : B 206 ABA N : B 205 BMT C :(H bumps) USER MOD NoAdj-H: B 207 SAR H : B 207 SAR N : B 206 ABA C :(H bumps) USER MOD NoAdj-H: B 208 MLE H : B 208 MLE N : B 207 SAR C :(H bumps) USER MOD NoAdj-H: B 210 MLE H : B 210 MLE N : B 209 VAL C :(H bumps) USER MOD Set 1.1: A 5 THR OG1 : rot 110:sc= 1.09 USER MOD Set 1.2: A 133 LYS NZ :NH3+ 130:sc= 1.28 (180deg=0) USER MOD Set 2.1: A 102 ASN : amide:sc= 0.286 K(o=-4.6,f=-6.7) USER MOD Set 2.2: A 126 HIS : no HE2:sc= -4.91! C(o=-4.6!,f=-11!) USER MOD Set 3.1: A 92 HIS : no HE2:sc= -0.654 K(o=-0.47,f=-2.1) USER MOD Set 3.2: A 115 CYS SG : rot -148:sc= 0.0935 USER MOD Set 3.3: A 119 THR OG1 : rot -110:sc= 0.0933 USER MOD Set 4.1: A 100 MET CE :methyl 145:sc= -0.113 (180deg=-0.209) USER MOD Set 4.2: A 108 ASN :FLIP amide:sc= -1.28! C(o=-2.4!,f=-1.4!) USER MOD Set 5.1: A 54 HIS : +bothHN:sc= -0.717 K(o=-5.4,f=-13!) USER MOD Set 5.2: A 61 MET CE :methyl 166:sc= -1.25 (180deg=-1.73) USER MOD Set 5.3: A 63 GLN : amide:sc= -3.39 K(o=-5.4,f=-6.1) USER MOD Set 6.1: A 35 ASN : amide:sc= 0.567 K(o=1.6,f=-1.3!) USER MOD Set 6.2: A 77 SER OG : rot 163:sc= 1.08 USER MOD Single : A 1 MET CE :methyl -139:sc= 0 (180deg=-0.00917) USER MOD Single : A 1 MET N :NH3+ -125:sc= -0.0471 (180deg=-1.03) USER MOD Single : A 3 ASN : amide:sc= 0.546 K(o=0.55,f=0) USER MOD Single : A 21 SER OG : rot 105:sc= -0.249 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 1.18 (180deg=0.753) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0.842 (180deg=0.724) USER MOD Single : A 32 THR OG1 : rot 120:sc= 0.0431 USER MOD Single : A 40 SER OG : rot -134:sc= 1.13 USER MOD Single : A 41 THR OG1 : rot -59:sc= 1.16 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -114:sc= -0.0899 USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 1.15 (180deg=1.15) USER MOD Single : A 51 SER OG : rot 140:sc= -0.0281 USER MOD Single : A 52 CYS SG : rot 79:sc= -0.528 USER MOD Single : A 62 CYS SG : rot 15:sc= -0.224 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0274 K(o=-0.027,f=-2.1) USER MOD Single : A 71 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.64) USER MOD Single : A 73 THR OG1 : rot 162:sc= -1.28 USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= 1.8 (180deg=0.388) USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -122:sc= 1.23 (180deg=-0.0898) USER MOD Single : A 87 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.017) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= 1.16 (180deg=0.64) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 99 SER OG : rot -51:sc= 0.685 USER MOD Single : A 106 ASN :FLIP amide:sc= -2.48! C(o=-3.2!,f=-2.5!) USER MOD Single : A 107 THR OG1 : rot 81:sc= 1.08 USER MOD Single : A 110 SER OG : rot 56:sc= 0.873 USER MOD Single : A 111 GLN : amide:sc= 0.637 K(o=0.64,f=-5.3!) USER MOD Single : A 116 THR OG1 : rot 165:sc= 0.862 USER MOD Single : A 118 LYS NZ :NH3+ -170:sc= 1.3 (180deg=1.08) USER MOD Single : A 125 LYS NZ :NH3+ 163:sc= 1.28 (180deg=1.02) USER MOD Single : A 131 LYS NZ :NH3+ 176:sc= 0.452 (180deg=0.147) USER MOD Single : A 136 MET CE :methyl 173:sc= -0.0958 (180deg=-0.251) USER MOD Single : A 137 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.21) USER MOD Single : A 142 MET CE :methyl -132:sc= -1.14 (180deg=-5.11!) USER MOD Single : A 147 SER OG : rot 73:sc= 1.18 USER MOD Single : A 149 ASN : amide:sc= 0.658 K(o=0.66,f=-9.9!) USER MOD Single : A 151 LYS NZ :NH3+ -147:sc= 2.85 (180deg=0.378) USER MOD Single : A 152 THR OG1 : rot -20:sc= 0.0961 USER MOD Single : A 153 SER OG : rot -45:sc= 0.244 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 CYS SG : rot -169:sc= -0.0698 USER MOD Single : A 163 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : B 205 BMT OG1 : rot -106:sc= -4! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.889 -16.539 -9.868 1.00 6.37 N ATOM 2 CA MET A 1 2.936 -17.586 -10.196 1.00 5.44 C ATOM 3 C MET A 1 1.888 -17.740 -9.092 1.00 4.25 C ATOM 4 O MET A 1 2.057 -17.213 -7.994 1.00 4.94 O ATOM 5 CB MET A 1 3.677 -18.911 -10.385 1.00 5.93 C ATOM 6 CG MET A 1 4.625 -18.843 -11.584 1.00 7.10 C ATOM 7 SD MET A 1 5.481 -20.398 -11.775 1.00 8.03 S ATOM 8 CE MET A 1 4.246 -21.323 -12.672 1.00 8.27 C ATOM 0 H1 MET A 1 3.921 -15.844 -10.641 1.00 6.37 H new ATOM 0 H2 MET A 1 3.597 -16.066 -8.989 1.00 6.37 H new ATOM 0 H3 MET A 1 4.833 -16.957 -9.739 1.00 6.37 H new ATOM 0 HA MET A 1 2.426 -17.310 -11.119 1.00 5.44 H new ATOM 0 HB2 MET A 1 4.242 -19.148 -9.483 1.00 5.93 H new ATOM 0 HB3 MET A 1 2.957 -19.717 -10.531 1.00 5.93 H new ATOM 0 HG2 MET A 1 4.063 -18.614 -12.490 1.00 7.10 H new ATOM 0 HG3 MET A 1 5.345 -18.037 -11.443 1.00 7.10 H new ATOM 0 HE1 MET A 1 4.205 -22.342 -12.288 1.00 8.27 H new ATOM 0 HE2 MET A 1 3.273 -20.848 -12.546 1.00 8.27 H new ATOM 0 HE3 MET A 1 4.505 -21.345 -13.731 1.00 8.27 H new ATOM 18 N VAL A 2 0.829 -18.464 -9.422 1.00 3.26 N ATOM 19 CA VAL A 2 -0.240 -18.705 -8.468 1.00 2.57 C ATOM 20 C VAL A 2 -0.599 -17.392 -7.769 1.00 2.18 C ATOM 21 O VAL A 2 -0.259 -16.314 -8.254 1.00 3.28 O ATOM 22 CB VAL A 2 0.169 -19.809 -7.491 1.00 2.86 C ATOM 23 CG1 VAL A 2 0.646 -21.055 -8.240 1.00 3.81 C ATOM 24 CG2 VAL A 2 1.240 -19.311 -6.518 1.00 3.72 C ATOM 0 H VAL A 2 0.688 -18.892 -10.337 1.00 3.26 H new ATOM 0 HA VAL A 2 -1.136 -19.057 -8.979 1.00 2.57 H new ATOM 0 HB VAL A 2 -0.711 -20.084 -6.909 1.00 2.86 H new ATOM 0 HG11 VAL A 2 0.931 -21.824 -7.522 1.00 3.81 H new ATOM 0 HG12 VAL A 2 -0.159 -21.429 -8.873 1.00 3.81 H new ATOM 0 HG13 VAL A 2 1.506 -20.800 -8.859 1.00 3.81 H new ATOM 0 HG21 VAL A 2 1.513 -20.115 -5.835 1.00 3.72 H new ATOM 0 HG22 VAL A 2 2.121 -18.995 -7.077 1.00 3.72 H new ATOM 0 HG23 VAL A 2 0.850 -18.467 -5.948 1.00 3.72 H new ATOM 34 N ASN A 3 -1.283 -17.526 -6.642 1.00 1.28 N ATOM 35 CA ASN A 3 -1.699 -16.363 -5.876 1.00 1.28 C ATOM 36 C ASN A 3 -1.152 -16.474 -4.452 1.00 1.01 C ATOM 37 O ASN A 3 -1.767 -17.108 -3.595 1.00 1.05 O ATOM 38 CB ASN A 3 -3.224 -16.277 -5.792 1.00 1.65 C ATOM 39 CG ASN A 3 -3.839 -16.073 -7.179 1.00 1.94 C ATOM 40 OD1 ASN A 3 -4.320 -16.997 -7.814 1.00 3.37 O ATOM 41 ND2 ASN A 3 -3.797 -14.817 -7.611 1.00 2.01 N ATOM 0 H ASN A 3 -1.560 -18.422 -6.241 1.00 1.28 H new ATOM 0 HA ASN A 3 -1.315 -15.474 -6.376 1.00 1.28 H new ATOM 0 HB2 ASN A 3 -3.619 -17.189 -5.346 1.00 1.65 H new ATOM 0 HB3 ASN A 3 -3.510 -15.453 -5.139 1.00 1.65 H new ATOM 0 HD21 ASN A 3 -4.182 -14.579 -8.525 1.00 2.01 H new ATOM 0 HD22 ASN A 3 -3.380 -14.091 -7.029 1.00 2.01 H new ATOM 48 N PRO A 4 0.027 -15.831 -4.237 1.00 1.00 N ATOM 49 CA PRO A 4 0.628 -15.792 -2.915 1.00 0.93 C ATOM 50 C PRO A 4 -0.112 -14.811 -2.004 1.00 0.76 C ATOM 51 O PRO A 4 -0.857 -13.956 -2.482 1.00 1.00 O ATOM 52 CB PRO A 4 2.078 -15.404 -3.153 1.00 1.29 C ATOM 53 CG PRO A 4 2.121 -14.789 -4.542 1.00 1.49 C ATOM 54 CD PRO A 4 0.816 -15.127 -5.244 1.00 1.31 C ATOM 0 HA PRO A 4 0.566 -16.749 -2.397 1.00 0.93 H new ATOM 0 HB2 PRO A 4 2.421 -14.694 -2.400 1.00 1.29 H new ATOM 0 HB3 PRO A 4 2.731 -16.275 -3.091 1.00 1.29 H new ATOM 0 HG2 PRO A 4 2.250 -13.709 -4.477 1.00 1.49 H new ATOM 0 HG3 PRO A 4 2.969 -15.178 -5.105 1.00 1.49 H new ATOM 0 HD2 PRO A 4 0.307 -14.227 -5.589 1.00 1.31 H new ATOM 0 HD3 PRO A 4 0.988 -15.751 -6.121 1.00 1.31 H new ATOM 62 N THR A 5 0.117 -14.967 -0.709 1.00 0.70 N ATOM 63 CA THR A 5 -0.530 -14.114 0.274 1.00 0.58 C ATOM 64 C THR A 5 0.503 -13.543 1.248 1.00 0.55 C ATOM 65 O THR A 5 1.543 -14.155 1.484 1.00 0.71 O ATOM 66 CB THR A 5 -1.625 -14.932 0.961 1.00 0.66 C ATOM 67 OG1 THR A 5 -2.514 -15.282 -0.098 1.00 0.97 O ATOM 68 CG2 THR A 5 -2.483 -14.087 1.904 1.00 0.84 C ATOM 0 H THR A 5 0.742 -15.672 -0.317 1.00 0.70 H new ATOM 0 HA THR A 5 -0.997 -13.250 -0.199 1.00 0.58 H new ATOM 0 HB THR A 5 -1.170 -15.750 1.520 1.00 0.66 H new ATOM 0 HG1 THR A 5 -2.446 -16.243 -0.278 1.00 0.97 H new ATOM 0 HG21 THR A 5 -3.244 -14.716 2.365 1.00 0.84 H new ATOM 0 HG22 THR A 5 -1.852 -13.653 2.680 1.00 0.84 H new ATOM 0 HG23 THR A 5 -2.965 -13.288 1.340 1.00 0.84 H new ATOM 76 N VAL A 6 0.178 -12.377 1.785 1.00 0.53 N ATOM 77 CA VAL A 6 1.050 -11.731 2.753 1.00 0.55 C ATOM 78 C VAL A 6 0.199 -10.976 3.776 1.00 0.61 C ATOM 79 O VAL A 6 -0.827 -10.393 3.426 1.00 0.95 O ATOM 80 CB VAL A 6 2.056 -10.832 2.032 1.00 0.63 C ATOM 81 CG1 VAL A 6 1.446 -10.234 0.763 1.00 2.06 C ATOM 82 CG2 VAL A 6 2.575 -9.733 2.963 1.00 2.23 C ATOM 0 H VAL A 6 -0.676 -11.862 1.569 1.00 0.53 H new ATOM 0 HA VAL A 6 1.631 -12.474 3.299 1.00 0.55 H new ATOM 0 HB VAL A 6 2.905 -11.449 1.736 1.00 0.63 H new ATOM 0 HG11 VAL A 6 2.182 -9.599 0.270 1.00 2.06 H new ATOM 0 HG12 VAL A 6 1.149 -11.037 0.088 1.00 2.06 H new ATOM 0 HG13 VAL A 6 0.571 -9.639 1.025 1.00 2.06 H new ATOM 0 HG21 VAL A 6 3.288 -9.108 2.426 1.00 2.23 H new ATOM 0 HG22 VAL A 6 1.740 -9.120 3.303 1.00 2.23 H new ATOM 0 HG23 VAL A 6 3.066 -10.187 3.823 1.00 2.23 H new ATOM 92 N PHE A 7 0.656 -11.011 5.020 1.00 0.59 N ATOM 93 CA PHE A 7 -0.132 -10.481 6.120 1.00 0.66 C ATOM 94 C PHE A 7 0.538 -9.248 6.728 1.00 0.52 C ATOM 95 O PHE A 7 1.762 -9.127 6.708 1.00 0.61 O ATOM 96 CB PHE A 7 -0.210 -11.580 7.182 1.00 0.95 C ATOM 97 CG PHE A 7 1.064 -11.734 8.014 1.00 0.85 C ATOM 98 CD1 PHE A 7 2.048 -12.578 7.602 1.00 2.05 C ATOM 99 CD2 PHE A 7 1.215 -11.026 9.166 1.00 2.13 C ATOM 100 CE1 PHE A 7 3.231 -12.722 8.374 1.00 2.39 C ATOM 101 CE2 PHE A 7 2.398 -11.170 9.938 1.00 2.40 C ATOM 102 CZ PHE A 7 3.381 -12.013 9.526 1.00 1.84 C ATOM 0 H PHE A 7 1.561 -11.398 5.290 1.00 0.59 H new ATOM 0 HA PHE A 7 -1.120 -10.187 5.764 1.00 0.66 H new ATOM 0 HB2 PHE A 7 -1.044 -11.366 7.850 1.00 0.95 H new ATOM 0 HB3 PHE A 7 -0.429 -12.529 6.692 1.00 0.95 H new ATOM 0 HD1 PHE A 7 1.929 -13.139 6.687 1.00 2.05 H new ATOM 0 HD2 PHE A 7 0.435 -10.354 9.493 1.00 2.13 H new ATOM 0 HE1 PHE A 7 4.011 -13.394 8.047 1.00 2.39 H new ATOM 0 HE2 PHE A 7 2.517 -10.609 10.853 1.00 2.40 H new ATOM 0 HZ PHE A 7 4.281 -12.120 10.113 1.00 1.84 H new ATOM 112 N PHE A 8 -0.294 -8.362 7.256 1.00 0.56 N ATOM 113 CA PHE A 8 0.205 -7.173 7.926 1.00 0.63 C ATOM 114 C PHE A 8 -0.679 -6.805 9.120 1.00 0.55 C ATOM 115 O PHE A 8 -1.884 -6.612 8.968 1.00 0.67 O ATOM 116 CB PHE A 8 0.163 -6.034 6.906 1.00 0.98 C ATOM 117 CG PHE A 8 1.468 -5.845 6.130 1.00 1.05 C ATOM 118 CD1 PHE A 8 1.686 -6.547 4.986 1.00 2.22 C ATOM 119 CD2 PHE A 8 2.410 -4.976 6.584 1.00 2.34 C ATOM 120 CE1 PHE A 8 2.898 -6.372 4.266 1.00 3.08 C ATOM 121 CE2 PHE A 8 3.621 -4.800 5.864 1.00 3.18 C ATOM 122 CZ PHE A 8 3.840 -5.502 4.720 1.00 3.19 C ATOM 0 H PHE A 8 -1.310 -8.444 7.233 1.00 0.56 H new ATOM 0 HA PHE A 8 1.215 -7.351 8.296 1.00 0.63 H new ATOM 0 HB2 PHE A 8 -0.644 -6.223 6.198 1.00 0.98 H new ATOM 0 HB3 PHE A 8 -0.078 -5.105 7.423 1.00 0.98 H new ATOM 0 HD1 PHE A 8 0.938 -7.237 4.625 1.00 2.22 H new ATOM 0 HD2 PHE A 8 2.237 -4.419 7.493 1.00 2.34 H new ATOM 0 HE1 PHE A 8 3.072 -6.930 3.358 1.00 3.08 H new ATOM 0 HE2 PHE A 8 4.368 -4.109 6.225 1.00 3.18 H new ATOM 0 HZ PHE A 8 4.761 -5.369 4.172 1.00 3.19 H new ATOM 132 N ASP A 9 -0.045 -6.719 10.281 1.00 0.54 N ATOM 133 CA ASP A 9 -0.763 -6.406 11.505 1.00 0.55 C ATOM 134 C ASP A 9 -0.575 -4.924 11.836 1.00 0.56 C ATOM 135 O ASP A 9 0.553 -4.440 11.912 1.00 0.72 O ATOM 136 CB ASP A 9 -0.228 -7.225 12.681 1.00 0.69 C ATOM 137 CG ASP A 9 -1.033 -7.097 13.976 1.00 1.23 C ATOM 138 OD1 ASP A 9 -0.748 -6.142 14.729 1.00 2.10 O ATOM 139 OD2 ASP A 9 -1.916 -7.958 14.183 1.00 2.24 O ATOM 0 H ASP A 9 0.958 -6.861 10.400 1.00 0.54 H new ATOM 0 HA ASP A 9 -1.815 -6.643 11.350 1.00 0.55 H new ATOM 0 HB2 ASP A 9 -0.200 -8.275 12.390 1.00 0.69 H new ATOM 0 HB3 ASP A 9 0.800 -6.921 12.878 1.00 0.69 H new ATOM 144 N ILE A 10 -1.698 -4.246 12.024 1.00 0.52 N ATOM 145 CA ILE A 10 -1.671 -2.830 12.346 1.00 0.56 C ATOM 146 C ILE A 10 -1.799 -2.654 13.861 1.00 0.63 C ATOM 147 O ILE A 10 -2.512 -3.409 14.519 1.00 0.71 O ATOM 148 CB ILE A 10 -2.737 -2.078 11.548 1.00 0.63 C ATOM 149 CG1 ILE A 10 -2.344 -1.970 10.073 1.00 0.87 C ATOM 150 CG2 ILE A 10 -3.023 -0.708 12.167 1.00 0.88 C ATOM 151 CD1 ILE A 10 -2.365 -3.343 9.399 1.00 1.11 C ATOM 0 H ILE A 10 -2.632 -4.651 11.959 1.00 0.52 H new ATOM 0 HA ILE A 10 -0.718 -2.391 12.052 1.00 0.56 H new ATOM 0 HB ILE A 10 -3.663 -2.651 11.593 1.00 0.63 H new ATOM 0 HG12 ILE A 10 -3.030 -1.298 9.558 1.00 0.87 H new ATOM 0 HG13 ILE A 10 -1.348 -1.535 9.989 1.00 0.87 H new ATOM 0 HG21 ILE A 10 -3.785 -0.195 11.580 1.00 0.88 H new ATOM 0 HG22 ILE A 10 -3.379 -0.838 13.189 1.00 0.88 H new ATOM 0 HG23 ILE A 10 -2.109 -0.114 12.174 1.00 0.88 H new ATOM 0 HD11 ILE A 10 -2.082 -3.239 8.352 1.00 1.11 H new ATOM 0 HD12 ILE A 10 -1.660 -4.006 9.901 1.00 1.11 H new ATOM 0 HD13 ILE A 10 -3.368 -3.765 9.463 1.00 1.11 H new ATOM 163 N ALA A 11 -1.097 -1.652 14.369 1.00 0.68 N ATOM 164 CA ALA A 11 -1.206 -1.299 15.774 1.00 0.76 C ATOM 165 C ALA A 11 -1.646 0.162 15.896 1.00 0.81 C ATOM 166 O ALA A 11 -0.884 1.072 15.575 1.00 0.89 O ATOM 167 CB ALA A 11 0.128 -1.566 16.473 1.00 0.84 C ATOM 0 H ALA A 11 -0.450 -1.073 13.833 1.00 0.68 H new ATOM 0 HA ALA A 11 -1.960 -1.913 16.266 1.00 0.76 H new ATOM 0 HB1 ALA A 11 0.046 -1.301 17.527 1.00 0.84 H new ATOM 0 HB2 ALA A 11 0.381 -2.622 16.383 1.00 0.84 H new ATOM 0 HB3 ALA A 11 0.909 -0.965 16.008 1.00 0.84 H new ATOM 173 N VAL A 12 -2.874 0.340 16.361 1.00 0.90 N ATOM 174 CA VAL A 12 -3.437 1.672 16.496 1.00 1.06 C ATOM 175 C VAL A 12 -3.320 2.126 17.952 1.00 1.30 C ATOM 176 O VAL A 12 -4.137 1.750 18.791 1.00 1.45 O ATOM 177 CB VAL A 12 -4.877 1.686 15.979 1.00 1.17 C ATOM 178 CG1 VAL A 12 -5.490 3.083 16.101 1.00 1.41 C ATOM 179 CG2 VAL A 12 -4.947 1.181 14.538 1.00 1.04 C ATOM 0 H VAL A 12 -3.495 -0.417 16.649 1.00 0.90 H new ATOM 0 HA VAL A 12 -2.880 2.385 15.888 1.00 1.06 H new ATOM 0 HB VAL A 12 -5.462 1.008 16.600 1.00 1.17 H new ATOM 0 HG11 VAL A 12 -6.514 3.065 15.727 1.00 1.41 H new ATOM 0 HG12 VAL A 12 -5.491 3.390 17.147 1.00 1.41 H new ATOM 0 HG13 VAL A 12 -4.902 3.791 15.516 1.00 1.41 H new ATOM 0 HG21 VAL A 12 -5.981 1.201 14.195 1.00 1.04 H new ATOM 0 HG22 VAL A 12 -4.340 1.822 13.898 1.00 1.04 H new ATOM 0 HG23 VAL A 12 -4.569 0.160 14.492 1.00 1.04 H new ATOM 189 N ASP A 13 -2.296 2.927 18.209 1.00 1.38 N ATOM 190 CA ASP A 13 -2.097 3.487 19.534 1.00 1.67 C ATOM 191 C ASP A 13 -2.066 2.354 20.562 1.00 1.69 C ATOM 192 O ASP A 13 -3.067 2.086 21.227 1.00 1.77 O ATOM 193 CB ASP A 13 -3.238 4.435 19.910 1.00 1.93 C ATOM 194 CG ASP A 13 -3.769 5.293 18.761 1.00 2.24 C ATOM 195 OD1 ASP A 13 -2.931 5.732 17.945 1.00 2.20 O ATOM 196 OD2 ASP A 13 -5.004 5.490 18.723 1.00 3.59 O ATOM 0 H ASP A 13 -1.595 3.201 17.521 1.00 1.38 H new ATOM 0 HA ASP A 13 -1.157 4.039 19.528 1.00 1.67 H new ATOM 0 HB2 ASP A 13 -4.061 3.846 20.315 1.00 1.93 H new ATOM 0 HB3 ASP A 13 -2.895 5.094 20.708 1.00 1.93 H new ATOM 201 N GLY A 14 -0.909 1.716 20.659 1.00 1.66 N ATOM 202 CA GLY A 14 -0.706 0.679 21.656 1.00 1.73 C ATOM 203 C GLY A 14 -1.899 -0.279 21.700 1.00 1.61 C ATOM 204 O GLY A 14 -2.342 -0.674 22.776 1.00 1.76 O ATOM 0 H GLY A 14 -0.102 1.898 20.063 1.00 1.66 H new ATOM 0 HA2 GLY A 14 0.203 0.123 21.428 1.00 1.73 H new ATOM 0 HA3 GLY A 14 -0.564 1.134 22.636 1.00 1.73 H new ATOM 208 N GLU A 15 -2.383 -0.625 20.516 1.00 1.39 N ATOM 209 CA GLU A 15 -3.477 -1.574 20.404 1.00 1.32 C ATOM 210 C GLU A 15 -3.409 -2.307 19.062 1.00 1.08 C ATOM 211 O GLU A 15 -3.394 -1.675 18.006 1.00 1.00 O ATOM 212 CB GLU A 15 -4.828 -0.877 20.580 1.00 1.49 C ATOM 213 CG GLU A 15 -5.942 -1.897 20.831 1.00 1.61 C ATOM 214 CD GLU A 15 -7.304 -1.206 20.929 1.00 2.58 C ATOM 215 OE1 GLU A 15 -7.806 -0.787 19.863 1.00 3.97 O ATOM 216 OE2 GLU A 15 -7.812 -1.113 22.067 1.00 3.01 O ATOM 0 H GLU A 15 -2.038 -0.265 19.626 1.00 1.39 H new ATOM 0 HA GLU A 15 -3.378 -2.309 21.203 1.00 1.32 H new ATOM 0 HB2 GLU A 15 -4.775 -0.178 21.415 1.00 1.49 H new ATOM 0 HB3 GLU A 15 -5.059 -0.293 19.689 1.00 1.49 H new ATOM 0 HG2 GLU A 15 -5.959 -2.629 20.024 1.00 1.61 H new ATOM 0 HG3 GLU A 15 -5.740 -2.443 21.752 1.00 1.61 H new ATOM 223 N PRO A 16 -3.368 -3.663 19.149 1.00 1.04 N ATOM 224 CA PRO A 16 -3.333 -4.489 17.953 1.00 0.90 C ATOM 225 C PRO A 16 -4.706 -4.539 17.280 1.00 0.84 C ATOM 226 O PRO A 16 -5.672 -5.022 17.868 1.00 0.89 O ATOM 227 CB PRO A 16 -2.856 -5.851 18.430 1.00 0.96 C ATOM 228 CG PRO A 16 -3.087 -5.871 19.933 1.00 1.13 C ATOM 229 CD PRO A 16 -3.355 -4.444 20.382 1.00 1.19 C ATOM 0 HA PRO A 16 -2.665 -4.093 17.188 1.00 0.90 H new ATOM 0 HB2 PRO A 16 -3.409 -6.652 17.939 1.00 0.96 H new ATOM 0 HB3 PRO A 16 -1.802 -6.000 18.195 1.00 0.96 H new ATOM 0 HG2 PRO A 16 -3.931 -6.514 20.181 1.00 1.13 H new ATOM 0 HG3 PRO A 16 -2.216 -6.276 20.448 1.00 1.13 H new ATOM 0 HD2 PRO A 16 -4.306 -4.367 20.909 1.00 1.19 H new ATOM 0 HD3 PRO A 16 -2.582 -4.092 21.065 1.00 1.19 H new ATOM 237 N LEU A 17 -4.749 -4.031 16.057 1.00 0.87 N ATOM 238 CA LEU A 17 -5.989 -4.000 15.302 1.00 1.01 C ATOM 239 C LEU A 17 -6.277 -5.395 14.744 1.00 1.00 C ATOM 240 O LEU A 17 -7.413 -5.864 14.791 1.00 1.13 O ATOM 241 CB LEU A 17 -5.939 -2.907 14.233 1.00 1.17 C ATOM 242 CG LEU A 17 -7.085 -1.893 14.255 1.00 0.86 C ATOM 243 CD1 LEU A 17 -8.422 -2.569 13.944 1.00 1.99 C ATOM 244 CD2 LEU A 17 -7.121 -1.136 15.584 1.00 1.78 C ATOM 0 H LEU A 17 -3.944 -3.637 15.570 1.00 0.87 H new ATOM 0 HA LEU A 17 -6.824 -3.739 15.952 1.00 1.01 H new ATOM 0 HB2 LEU A 17 -4.999 -2.365 14.339 1.00 1.17 H new ATOM 0 HB3 LEU A 17 -5.922 -3.385 13.254 1.00 1.17 H new ATOM 0 HG LEU A 17 -6.906 -1.158 13.470 1.00 0.86 H new ATOM 0 HD11 LEU A 17 -9.219 -1.826 13.966 1.00 1.99 H new ATOM 0 HD12 LEU A 17 -8.378 -3.025 12.955 1.00 1.99 H new ATOM 0 HD13 LEU A 17 -8.623 -3.339 14.689 1.00 1.99 H new ATOM 0 HD21 LEU A 17 -7.944 -0.422 15.574 1.00 1.78 H new ATOM 0 HD22 LEU A 17 -7.264 -1.843 16.401 1.00 1.78 H new ATOM 0 HD23 LEU A 17 -6.180 -0.603 15.725 1.00 1.78 H new ATOM 256 N GLY A 18 -5.228 -6.017 14.226 1.00 0.94 N ATOM 257 CA GLY A 18 -5.355 -7.344 13.648 1.00 1.02 C ATOM 258 C GLY A 18 -4.724 -7.399 12.255 1.00 0.84 C ATOM 259 O GLY A 18 -4.051 -6.457 11.839 1.00 0.85 O ATOM 0 H GLY A 18 -4.286 -5.626 14.195 1.00 0.94 H new ATOM 0 HA2 GLY A 18 -4.874 -8.075 14.298 1.00 1.02 H new ATOM 0 HA3 GLY A 18 -6.408 -7.618 13.585 1.00 1.02 H new ATOM 263 N ARG A 19 -4.963 -8.509 11.574 1.00 0.90 N ATOM 264 CA ARG A 19 -4.333 -8.749 10.288 1.00 0.91 C ATOM 265 C ARG A 19 -5.254 -8.293 9.153 1.00 0.73 C ATOM 266 O ARG A 19 -6.462 -8.516 9.202 1.00 0.77 O ATOM 267 CB ARG A 19 -4.002 -10.231 10.103 1.00 1.25 C ATOM 268 CG ARG A 19 -2.530 -10.507 10.410 1.00 1.26 C ATOM 269 CD ARG A 19 -2.251 -10.387 11.910 1.00 1.82 C ATOM 270 NE ARG A 19 -0.889 -10.879 12.213 1.00 2.63 N ATOM 271 CZ ARG A 19 -0.339 -10.863 13.435 1.00 3.58 C ATOM 272 NH1 ARG A 19 -1.010 -10.329 14.465 1.00 4.34 N ATOM 273 NH2 ARG A 19 0.882 -11.381 13.626 1.00 4.71 N ATOM 0 H ARG A 19 -5.585 -9.253 11.889 1.00 0.90 H new ATOM 0 HA ARG A 19 -3.406 -8.177 10.261 1.00 0.91 H new ATOM 0 HB2 ARG A 19 -4.633 -10.832 10.758 1.00 1.25 H new ATOM 0 HB3 ARG A 19 -4.226 -10.532 9.080 1.00 1.25 H new ATOM 0 HG2 ARG A 19 -2.264 -11.506 10.066 1.00 1.26 H new ATOM 0 HG3 ARG A 19 -1.902 -9.804 9.862 1.00 1.26 H new ATOM 0 HD2 ARG A 19 -2.349 -9.348 12.224 1.00 1.82 H new ATOM 0 HD3 ARG A 19 -2.987 -10.961 12.472 1.00 1.82 H new ATOM 0 HE ARG A 19 -0.334 -11.254 11.444 1.00 2.63 H new ATOM 0 HH11 ARG A 19 -1.939 -9.935 14.319 1.00 4.34 H new ATOM 0 HH12 ARG A 19 -0.591 -10.317 15.395 1.00 4.34 H new ATOM 0 HH21 ARG A 19 1.392 -11.787 12.842 1.00 4.71 H new ATOM 0 HH22 ARG A 19 1.301 -11.369 14.556 1.00 4.71 H new ATOM 287 N VAL A 20 -4.646 -7.663 8.158 1.00 0.79 N ATOM 288 CA VAL A 20 -5.392 -7.197 7.002 1.00 0.91 C ATOM 289 C VAL A 20 -5.387 -8.285 5.926 1.00 1.40 C ATOM 290 O VAL A 20 -6.445 -8.702 5.455 1.00 3.36 O ATOM 291 CB VAL A 20 -4.818 -5.867 6.509 1.00 0.79 C ATOM 292 CG1 VAL A 20 -5.362 -5.515 5.122 1.00 0.95 C ATOM 293 CG2 VAL A 20 -5.099 -4.745 7.509 1.00 1.01 C ATOM 0 H VAL A 20 -3.646 -7.465 8.129 1.00 0.79 H new ATOM 0 HA VAL A 20 -6.432 -7.007 7.270 1.00 0.91 H new ATOM 0 HB VAL A 20 -3.737 -5.979 6.426 1.00 0.79 H new ATOM 0 HG11 VAL A 20 -4.938 -4.565 4.795 1.00 0.95 H new ATOM 0 HG12 VAL A 20 -5.088 -6.297 4.414 1.00 0.95 H new ATOM 0 HG13 VAL A 20 -6.448 -5.431 5.168 1.00 0.95 H new ATOM 0 HG21 VAL A 20 -4.681 -3.811 7.135 1.00 1.01 H new ATOM 0 HG22 VAL A 20 -6.176 -4.634 7.639 1.00 1.01 H new ATOM 0 HG23 VAL A 20 -4.641 -4.989 8.468 1.00 1.01 H new ATOM 303 N SER A 21 -4.186 -8.715 5.569 1.00 0.81 N ATOM 304 CA SER A 21 -4.032 -9.837 4.659 1.00 0.61 C ATOM 305 C SER A 21 -4.294 -9.385 3.221 1.00 0.54 C ATOM 306 O SER A 21 -5.386 -8.918 2.903 1.00 0.58 O ATOM 307 CB SER A 21 -4.973 -10.983 5.034 1.00 0.95 C ATOM 308 OG SER A 21 -5.365 -10.926 6.403 1.00 1.74 O ATOM 0 H SER A 21 -3.310 -8.306 5.894 1.00 0.81 H new ATOM 0 HA SER A 21 -3.008 -10.202 4.737 1.00 0.61 H new ATOM 0 HB2 SER A 21 -5.860 -10.946 4.401 1.00 0.95 H new ATOM 0 HB3 SER A 21 -4.481 -11.935 4.837 1.00 0.95 H new ATOM 0 HG SER A 21 -6.290 -10.609 6.465 1.00 1.74 H new ATOM 314 N PHE A 22 -3.273 -9.538 2.391 1.00 0.55 N ATOM 315 CA PHE A 22 -3.398 -9.211 0.981 1.00 0.52 C ATOM 316 C PHE A 22 -3.066 -10.421 0.105 1.00 0.50 C ATOM 317 O PHE A 22 -2.156 -11.187 0.419 1.00 0.66 O ATOM 318 CB PHE A 22 -2.394 -8.093 0.689 1.00 0.57 C ATOM 319 CG PHE A 22 -2.520 -6.886 1.620 1.00 0.65 C ATOM 320 CD1 PHE A 22 -3.593 -6.056 1.516 1.00 1.43 C ATOM 321 CD2 PHE A 22 -1.559 -6.642 2.551 1.00 1.84 C ATOM 322 CE1 PHE A 22 -3.709 -4.935 2.380 1.00 1.48 C ATOM 323 CE2 PHE A 22 -1.675 -5.521 3.415 1.00 1.93 C ATOM 324 CZ PHE A 22 -2.747 -4.691 3.311 1.00 0.94 C ATOM 0 H PHE A 22 -2.355 -9.884 2.668 1.00 0.55 H new ATOM 0 HA PHE A 22 -4.421 -8.906 0.760 1.00 0.52 H new ATOM 0 HB2 PHE A 22 -1.384 -8.496 0.767 1.00 0.57 H new ATOM 0 HB3 PHE A 22 -2.525 -7.760 -0.341 1.00 0.57 H new ATOM 0 HD1 PHE A 22 -4.356 -6.250 0.777 1.00 1.43 H new ATOM 0 HD2 PHE A 22 -0.707 -7.301 2.633 1.00 1.84 H new ATOM 0 HE1 PHE A 22 -4.561 -4.276 2.298 1.00 1.48 H new ATOM 0 HE2 PHE A 22 -0.912 -5.328 4.154 1.00 1.93 H new ATOM 0 HZ PHE A 22 -2.835 -3.838 3.967 1.00 0.94 H new ATOM 334 N GLU A 23 -3.821 -10.555 -0.975 1.00 0.47 N ATOM 335 CA GLU A 23 -3.525 -11.566 -1.975 1.00 0.51 C ATOM 336 C GLU A 23 -3.000 -10.912 -3.254 1.00 0.73 C ATOM 337 O GLU A 23 -3.517 -9.882 -3.685 1.00 1.62 O ATOM 338 CB GLU A 23 -4.756 -12.427 -2.264 1.00 0.71 C ATOM 339 CG GLU A 23 -5.972 -11.556 -2.586 1.00 1.37 C ATOM 340 CD GLU A 23 -6.978 -12.317 -3.451 1.00 1.61 C ATOM 341 OE1 GLU A 23 -7.825 -13.017 -2.854 1.00 1.85 O ATOM 342 OE2 GLU A 23 -6.879 -12.181 -4.689 1.00 2.68 O ATOM 0 H GLU A 23 -4.638 -9.980 -1.179 1.00 0.47 H new ATOM 0 HA GLU A 23 -2.748 -12.221 -1.582 1.00 0.51 H new ATOM 0 HB2 GLU A 23 -4.550 -13.093 -3.102 1.00 0.71 H new ATOM 0 HB3 GLU A 23 -4.974 -13.057 -1.402 1.00 0.71 H new ATOM 0 HG2 GLU A 23 -6.451 -11.237 -1.660 1.00 1.37 H new ATOM 0 HG3 GLU A 23 -5.650 -10.653 -3.105 1.00 1.37 H new ATOM 349 N LEU A 24 -1.979 -11.535 -3.824 1.00 0.73 N ATOM 350 CA LEU A 24 -1.296 -10.959 -4.969 1.00 0.81 C ATOM 351 C LEU A 24 -1.673 -11.740 -6.229 1.00 0.91 C ATOM 352 O LEU A 24 -2.033 -12.914 -6.151 1.00 1.36 O ATOM 353 CB LEU A 24 0.211 -10.892 -4.716 1.00 0.95 C ATOM 354 CG LEU A 24 0.640 -10.311 -3.367 1.00 1.09 C ATOM 355 CD1 LEU A 24 2.163 -10.314 -3.227 1.00 2.07 C ATOM 356 CD2 LEU A 24 0.048 -8.917 -3.156 1.00 1.85 C ATOM 0 H LEU A 24 -1.608 -12.433 -3.514 1.00 0.73 H new ATOM 0 HA LEU A 24 -1.616 -9.929 -5.124 1.00 0.81 H new ATOM 0 HB2 LEU A 24 0.619 -11.899 -4.801 1.00 0.95 H new ATOM 0 HB3 LEU A 24 0.666 -10.296 -5.507 1.00 0.95 H new ATOM 0 HG LEU A 24 0.243 -10.951 -2.579 1.00 1.09 H new ATOM 0 HD11 LEU A 24 2.440 -9.896 -2.259 1.00 2.07 H new ATOM 0 HD12 LEU A 24 2.533 -11.337 -3.300 1.00 2.07 H new ATOM 0 HD13 LEU A 24 2.603 -9.712 -4.022 1.00 2.07 H new ATOM 0 HD21 LEU A 24 0.369 -8.528 -2.190 1.00 1.85 H new ATOM 0 HD22 LEU A 24 0.393 -8.252 -3.948 1.00 1.85 H new ATOM 0 HD23 LEU A 24 -1.040 -8.976 -3.180 1.00 1.85 H new ATOM 368 N PHE A 25 -1.578 -11.058 -7.361 1.00 0.71 N ATOM 369 CA PHE A 25 -1.841 -11.692 -8.642 1.00 0.73 C ATOM 370 C PHE A 25 -0.544 -11.903 -9.425 1.00 0.79 C ATOM 371 O PHE A 25 -0.409 -11.423 -10.550 1.00 1.11 O ATOM 372 CB PHE A 25 -2.752 -10.749 -9.429 1.00 0.75 C ATOM 373 CG PHE A 25 -4.097 -10.475 -8.754 1.00 0.69 C ATOM 374 CD1 PHE A 25 -4.986 -11.489 -8.572 1.00 1.51 C ATOM 375 CD2 PHE A 25 -4.405 -9.218 -8.337 1.00 1.92 C ATOM 376 CE1 PHE A 25 -6.234 -11.235 -7.946 1.00 1.47 C ATOM 377 CE2 PHE A 25 -5.654 -8.964 -7.711 1.00 2.13 C ATOM 378 CZ PHE A 25 -6.542 -9.977 -7.529 1.00 1.09 C ATOM 0 H PHE A 25 -1.322 -10.072 -7.418 1.00 0.71 H new ATOM 0 HA PHE A 25 -2.303 -12.667 -8.487 1.00 0.73 H new ATOM 0 HB2 PHE A 25 -2.234 -9.802 -9.580 1.00 0.75 H new ATOM 0 HB3 PHE A 25 -2.933 -11.175 -10.416 1.00 0.75 H new ATOM 0 HD1 PHE A 25 -4.742 -12.487 -8.904 1.00 1.51 H new ATOM 0 HD2 PHE A 25 -3.700 -8.413 -8.482 1.00 1.92 H new ATOM 0 HE1 PHE A 25 -6.939 -12.040 -7.801 1.00 1.47 H new ATOM 0 HE2 PHE A 25 -5.899 -7.966 -7.379 1.00 2.13 H new ATOM 0 HZ PHE A 25 -7.492 -9.783 -7.053 1.00 1.09 H new ATOM 388 N ALA A 26 0.378 -12.621 -8.800 1.00 0.59 N ATOM 389 CA ALA A 26 1.673 -12.871 -9.410 1.00 0.64 C ATOM 390 C ALA A 26 1.472 -13.576 -10.753 1.00 0.72 C ATOM 391 O ALA A 26 2.300 -13.450 -11.655 1.00 0.91 O ATOM 392 CB ALA A 26 2.542 -13.685 -8.449 1.00 0.70 C ATOM 0 H ALA A 26 0.254 -13.038 -7.877 1.00 0.59 H new ATOM 0 HA ALA A 26 2.193 -11.933 -9.604 1.00 0.64 H new ATOM 0 HB1 ALA A 26 3.513 -13.872 -8.907 1.00 0.70 H new ATOM 0 HB2 ALA A 26 2.679 -13.128 -7.522 1.00 0.70 H new ATOM 0 HB3 ALA A 26 2.053 -14.635 -8.233 1.00 0.70 H new ATOM 398 N ASP A 27 0.367 -14.301 -10.845 1.00 0.80 N ATOM 399 CA ASP A 27 0.029 -14.996 -12.076 1.00 0.89 C ATOM 400 C ASP A 27 0.059 -14.006 -13.241 1.00 0.92 C ATOM 401 O ASP A 27 0.558 -14.324 -14.319 1.00 1.30 O ATOM 402 CB ASP A 27 -1.378 -15.595 -12.001 1.00 1.00 C ATOM 403 CG ASP A 27 -1.966 -16.033 -13.343 1.00 1.26 C ATOM 404 OD1 ASP A 27 -1.313 -16.871 -14.003 1.00 1.62 O ATOM 405 OD2 ASP A 27 -3.055 -15.520 -13.680 1.00 2.35 O ATOM 0 H ASP A 27 -0.306 -14.422 -10.088 1.00 0.80 H new ATOM 0 HA ASP A 27 0.755 -15.796 -12.222 1.00 0.89 H new ATOM 0 HB2 ASP A 27 -1.355 -16.456 -11.333 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -2.046 -14.860 -11.551 1.00 1.00 H new ATOM 410 N LYS A 28 -0.482 -12.823 -12.986 1.00 0.97 N ATOM 411 CA LYS A 28 -0.700 -11.855 -14.047 1.00 1.08 C ATOM 412 C LYS A 28 0.423 -10.815 -14.021 1.00 0.99 C ATOM 413 O LYS A 28 0.800 -10.279 -15.062 1.00 1.09 O ATOM 414 CB LYS A 28 -2.101 -11.249 -13.939 1.00 1.23 C ATOM 415 CG LYS A 28 -3.160 -12.342 -13.782 1.00 1.66 C ATOM 416 CD LYS A 28 -4.554 -11.805 -14.111 1.00 1.99 C ATOM 417 CE LYS A 28 -5.635 -12.827 -13.749 1.00 2.43 C ATOM 418 NZ LYS A 28 -5.315 -14.148 -14.333 1.00 3.38 N ATOM 0 H LYS A 28 -0.776 -12.513 -12.060 1.00 0.97 H new ATOM 0 HA LYS A 28 -0.662 -12.342 -15.021 1.00 1.08 H new ATOM 0 HB2 LYS A 28 -2.143 -10.571 -13.086 1.00 1.23 H new ATOM 0 HB3 LYS A 28 -2.314 -10.656 -14.828 1.00 1.23 H new ATOM 0 HG2 LYS A 28 -2.924 -13.179 -14.439 1.00 1.66 H new ATOM 0 HG3 LYS A 28 -3.145 -12.724 -12.761 1.00 1.66 H new ATOM 0 HD2 LYS A 28 -4.728 -10.877 -13.566 1.00 1.99 H new ATOM 0 HD3 LYS A 28 -4.615 -11.567 -15.173 1.00 1.99 H new ATOM 0 HE2 LYS A 28 -5.715 -12.912 -12.665 1.00 2.43 H new ATOM 0 HE3 LYS A 28 -6.603 -12.486 -14.115 1.00 2.43 H new ATOM 0 HZ1 LYS A 28 -6.163 -14.749 -14.317 1.00 3.38 H new ATOM 0 HZ2 LYS A 28 -4.996 -14.025 -15.315 1.00 3.38 H new ATOM 0 HZ3 LYS A 28 -4.560 -14.599 -13.778 1.00 3.38 H new ATOM 432 N VAL A 29 0.926 -10.563 -12.822 1.00 0.88 N ATOM 433 CA VAL A 29 1.940 -9.540 -12.636 1.00 0.85 C ATOM 434 C VAL A 29 3.011 -10.058 -11.673 1.00 0.83 C ATOM 435 O VAL A 29 2.958 -9.783 -10.475 1.00 0.85 O ATOM 436 CB VAL A 29 1.290 -8.238 -12.163 1.00 0.85 C ATOM 437 CG1 VAL A 29 0.803 -7.405 -13.351 1.00 0.93 C ATOM 438 CG2 VAL A 29 0.146 -8.520 -11.186 1.00 0.97 C ATOM 0 H VAL A 29 0.650 -11.050 -11.969 1.00 0.88 H new ATOM 0 HA VAL A 29 2.434 -9.316 -13.582 1.00 0.85 H new ATOM 0 HB VAL A 29 2.047 -7.658 -11.635 1.00 0.85 H new ATOM 0 HG11 VAL A 29 0.345 -6.485 -12.987 1.00 0.93 H new ATOM 0 HG12 VAL A 29 1.648 -7.160 -13.994 1.00 0.93 H new ATOM 0 HG13 VAL A 29 0.068 -7.976 -13.919 1.00 0.93 H new ATOM 0 HG21 VAL A 29 -0.299 -7.578 -10.865 1.00 0.97 H new ATOM 0 HG22 VAL A 29 -0.611 -9.130 -11.679 1.00 0.97 H new ATOM 0 HG23 VAL A 29 0.532 -9.053 -10.317 1.00 0.97 H new ATOM 448 N PRO A 30 3.982 -10.817 -12.248 1.00 0.89 N ATOM 449 CA PRO A 30 5.187 -11.167 -11.517 1.00 0.97 C ATOM 450 C PRO A 30 6.135 -9.971 -11.416 1.00 1.18 C ATOM 451 O PRO A 30 5.902 -8.935 -12.037 1.00 2.85 O ATOM 452 CB PRO A 30 5.786 -12.336 -12.283 1.00 1.12 C ATOM 453 CG PRO A 30 5.153 -12.296 -13.664 1.00 1.14 C ATOM 454 CD PRO A 30 3.958 -11.359 -13.603 1.00 1.04 C ATOM 0 HA PRO A 30 4.985 -11.446 -10.483 1.00 0.97 H new ATOM 0 HB2 PRO A 30 6.870 -12.246 -12.347 1.00 1.12 H new ATOM 0 HB3 PRO A 30 5.573 -13.281 -11.783 1.00 1.12 H new ATOM 0 HG2 PRO A 30 5.874 -11.948 -14.404 1.00 1.14 H new ATOM 0 HG3 PRO A 30 4.840 -13.294 -13.969 1.00 1.14 H new ATOM 0 HD2 PRO A 30 4.037 -10.567 -14.348 1.00 1.04 H new ATOM 0 HD3 PRO A 30 3.027 -11.891 -13.801 1.00 1.04 H new ATOM 462 N LYS A 31 7.185 -10.153 -10.627 1.00 1.36 N ATOM 463 CA LYS A 31 8.172 -9.104 -10.442 1.00 1.32 C ATOM 464 C LYS A 31 7.639 -8.078 -9.439 1.00 1.20 C ATOM 465 O LYS A 31 8.236 -7.866 -8.385 1.00 1.33 O ATOM 466 CB LYS A 31 8.568 -8.497 -11.789 1.00 1.40 C ATOM 467 CG LYS A 31 10.034 -8.056 -11.782 1.00 2.24 C ATOM 468 CD LYS A 31 10.459 -7.544 -13.160 1.00 2.27 C ATOM 469 CE LYS A 31 10.205 -6.040 -13.288 1.00 2.99 C ATOM 470 NZ LYS A 31 11.403 -5.276 -12.875 1.00 4.38 N ATOM 0 H LYS A 31 7.373 -11.011 -10.109 1.00 1.36 H new ATOM 0 HA LYS A 31 9.089 -9.515 -10.021 1.00 1.32 H new ATOM 0 HB2 LYS A 31 8.408 -9.227 -12.582 1.00 1.40 H new ATOM 0 HB3 LYS A 31 7.928 -7.642 -12.009 1.00 1.40 H new ATOM 0 HG2 LYS A 31 10.178 -7.272 -11.038 1.00 2.24 H new ATOM 0 HG3 LYS A 31 10.668 -8.893 -11.490 1.00 2.24 H new ATOM 0 HD2 LYS A 31 11.517 -7.753 -13.319 1.00 2.27 H new ATOM 0 HD3 LYS A 31 9.909 -8.077 -13.936 1.00 2.27 H new ATOM 0 HE2 LYS A 31 9.947 -5.795 -14.318 1.00 2.99 H new ATOM 0 HE3 LYS A 31 9.354 -5.755 -12.670 1.00 2.99 H new ATOM 0 HZ1 LYS A 31 11.232 -4.260 -13.016 1.00 4.38 H new ATOM 0 HZ2 LYS A 31 11.601 -5.458 -11.870 1.00 4.38 H new ATOM 0 HZ3 LYS A 31 12.219 -5.573 -13.448 1.00 4.38 H new ATOM 484 N THR A 32 6.520 -7.468 -9.804 1.00 1.04 N ATOM 485 CA THR A 32 5.899 -6.470 -8.949 1.00 0.94 C ATOM 486 C THR A 32 5.407 -7.111 -7.650 1.00 0.79 C ATOM 487 O THR A 32 5.726 -6.638 -6.560 1.00 0.91 O ATOM 488 CB THR A 32 4.787 -5.788 -9.749 1.00 0.98 C ATOM 489 OG1 THR A 32 5.307 -5.718 -11.075 1.00 1.24 O ATOM 490 CG2 THR A 32 4.589 -4.326 -9.348 1.00 1.01 C ATOM 0 H THR A 32 6.028 -7.646 -10.680 1.00 1.04 H new ATOM 0 HA THR A 32 6.617 -5.707 -8.646 1.00 0.94 H new ATOM 0 HB THR A 32 3.853 -6.332 -9.608 1.00 0.98 H new ATOM 0 HG1 THR A 32 4.718 -6.211 -11.684 1.00 1.24 H new ATOM 0 HG21 THR A 32 3.789 -3.890 -9.946 1.00 1.01 H new ATOM 0 HG22 THR A 32 4.324 -4.271 -8.292 1.00 1.01 H new ATOM 0 HG23 THR A 32 5.513 -3.773 -9.520 1.00 1.01 H new ATOM 498 N ALA A 33 4.639 -8.180 -7.809 1.00 0.65 N ATOM 499 CA ALA A 33 4.139 -8.919 -6.663 1.00 0.68 C ATOM 500 C ALA A 33 5.307 -9.276 -5.742 1.00 0.79 C ATOM 501 O ALA A 33 5.217 -9.112 -4.526 1.00 0.82 O ATOM 502 CB ALA A 33 3.378 -10.155 -7.144 1.00 0.71 C ATOM 0 H ALA A 33 4.351 -8.551 -8.714 1.00 0.65 H new ATOM 0 HA ALA A 33 3.441 -8.309 -6.089 1.00 0.68 H new ATOM 0 HB1 ALA A 33 3.003 -10.709 -6.284 1.00 0.71 H new ATOM 0 HB2 ALA A 33 2.541 -9.846 -7.770 1.00 0.71 H new ATOM 0 HB3 ALA A 33 4.047 -10.792 -7.722 1.00 0.71 H new ATOM 508 N GLU A 34 6.377 -9.757 -6.357 1.00 0.95 N ATOM 509 CA GLU A 34 7.549 -10.173 -5.604 1.00 1.14 C ATOM 510 C GLU A 34 8.155 -8.980 -4.862 1.00 0.98 C ATOM 511 O GLU A 34 8.508 -9.088 -3.689 1.00 0.98 O ATOM 512 CB GLU A 34 8.583 -10.832 -6.520 1.00 1.50 C ATOM 513 CG GLU A 34 9.732 -11.432 -5.706 1.00 1.73 C ATOM 514 CD GLU A 34 10.817 -11.997 -6.625 1.00 1.82 C ATOM 515 OE1 GLU A 34 10.486 -12.928 -7.389 1.00 2.54 O ATOM 516 OE2 GLU A 34 11.955 -11.484 -6.541 1.00 2.68 O ATOM 0 H GLU A 34 6.458 -9.868 -7.368 1.00 0.95 H new ATOM 0 HA GLU A 34 7.239 -10.914 -4.867 1.00 1.14 H new ATOM 0 HB2 GLU A 34 8.105 -11.613 -7.112 1.00 1.50 H new ATOM 0 HB3 GLU A 34 8.975 -10.095 -7.221 1.00 1.50 H new ATOM 0 HG2 GLU A 34 10.161 -10.668 -5.058 1.00 1.73 H new ATOM 0 HG3 GLU A 34 9.351 -12.222 -5.059 1.00 1.73 H new ATOM 523 N ASN A 35 8.255 -7.869 -5.577 1.00 0.98 N ATOM 524 CA ASN A 35 8.870 -6.675 -5.022 1.00 1.02 C ATOM 525 C ASN A 35 8.224 -6.353 -3.673 1.00 0.99 C ATOM 526 O ASN A 35 8.920 -6.156 -2.679 1.00 1.64 O ATOM 527 CB ASN A 35 8.666 -5.471 -5.943 1.00 1.21 C ATOM 528 CG ASN A 35 9.578 -4.310 -5.539 1.00 1.62 C ATOM 529 OD1 ASN A 35 9.716 -3.971 -4.375 1.00 2.43 O ATOM 530 ND2 ASN A 35 10.190 -3.721 -6.563 1.00 2.41 N ATOM 0 H ASN A 35 7.921 -7.770 -6.536 1.00 0.98 H new ATOM 0 HA ASN A 35 9.937 -6.867 -4.910 1.00 1.02 H new ATOM 0 HB2 ASN A 35 8.872 -5.758 -6.974 1.00 1.21 H new ATOM 0 HB3 ASN A 35 7.625 -5.151 -5.904 1.00 1.21 H new ATOM 0 HD21 ASN A 35 10.819 -2.935 -6.398 1.00 2.41 H new ATOM 0 HD22 ASN A 35 10.030 -4.055 -7.513 1.00 2.41 H new ATOM 537 N PHE A 36 6.900 -6.310 -3.683 1.00 0.74 N ATOM 538 CA PHE A 36 6.155 -5.927 -2.495 1.00 0.82 C ATOM 539 C PHE A 36 6.259 -7.003 -1.413 1.00 0.78 C ATOM 540 O PHE A 36 6.526 -6.697 -0.252 1.00 0.93 O ATOM 541 CB PHE A 36 4.690 -5.782 -2.914 1.00 0.96 C ATOM 542 CG PHE A 36 3.729 -5.553 -1.746 1.00 1.42 C ATOM 543 CD1 PHE A 36 3.738 -4.366 -1.080 1.00 2.33 C ATOM 544 CD2 PHE A 36 2.867 -6.536 -1.372 1.00 2.44 C ATOM 545 CE1 PHE A 36 2.846 -4.154 0.004 1.00 2.97 C ATOM 546 CE2 PHE A 36 1.974 -6.323 -0.288 1.00 3.25 C ATOM 547 CZ PHE A 36 1.983 -5.137 0.378 1.00 3.14 C ATOM 0 H PHE A 36 6.324 -6.534 -4.494 1.00 0.74 H new ATOM 0 HA PHE A 36 6.556 -4.999 -2.087 1.00 0.82 H new ATOM 0 HB2 PHE A 36 4.603 -4.949 -3.612 1.00 0.96 H new ATOM 0 HB3 PHE A 36 4.386 -6.680 -3.451 1.00 0.96 H new ATOM 0 HD1 PHE A 36 4.423 -3.586 -1.376 1.00 2.33 H new ATOM 0 HD2 PHE A 36 2.861 -7.479 -1.899 1.00 2.44 H new ATOM 0 HE1 PHE A 36 2.853 -3.212 0.532 1.00 2.97 H new ATOM 0 HE2 PHE A 36 1.288 -7.103 0.007 1.00 3.25 H new ATOM 0 HZ PHE A 36 1.305 -4.976 1.203 1.00 3.14 H new ATOM 557 N ARG A 37 6.042 -8.242 -1.831 1.00 0.82 N ATOM 558 CA ARG A 37 6.005 -9.353 -0.895 1.00 1.11 C ATOM 559 C ARG A 37 7.360 -9.507 -0.202 1.00 1.02 C ATOM 560 O ARG A 37 7.424 -9.886 0.966 1.00 1.16 O ATOM 561 CB ARG A 37 5.650 -10.660 -1.605 1.00 1.43 C ATOM 562 CG ARG A 37 4.977 -11.642 -0.643 1.00 2.51 C ATOM 563 CD ARG A 37 5.075 -13.076 -1.166 1.00 2.59 C ATOM 564 NE ARG A 37 4.137 -13.950 -0.426 1.00 4.04 N ATOM 565 CZ ARG A 37 4.323 -15.263 -0.238 1.00 4.47 C ATOM 566 NH1 ARG A 37 5.302 -15.902 -0.895 1.00 3.90 N ATOM 567 NH2 ARG A 37 3.531 -15.939 0.605 1.00 6.18 N ATOM 0 H ARG A 37 5.890 -8.501 -2.806 1.00 0.82 H new ATOM 0 HA ARG A 37 5.236 -9.137 -0.153 1.00 1.11 H new ATOM 0 HB2 ARG A 37 4.985 -10.453 -2.443 1.00 1.43 H new ATOM 0 HB3 ARG A 37 6.553 -11.111 -2.018 1.00 1.43 H new ATOM 0 HG2 ARG A 37 5.448 -11.576 0.338 1.00 2.51 H new ATOM 0 HG3 ARG A 37 3.930 -11.369 -0.513 1.00 2.51 H new ATOM 0 HD2 ARG A 37 4.844 -13.100 -2.231 1.00 2.59 H new ATOM 0 HD3 ARG A 37 6.095 -13.444 -1.053 1.00 2.59 H new ATOM 0 HE ARG A 37 3.296 -13.526 -0.035 1.00 4.04 H new ATOM 0 HH11 ARG A 37 5.905 -15.388 -1.538 1.00 3.90 H new ATOM 0 HH12 ARG A 37 5.444 -16.902 -0.752 1.00 3.90 H new ATOM 0 HH21 ARG A 37 2.786 -15.454 1.104 1.00 6.18 H new ATOM 0 HH22 ARG A 37 3.673 -16.939 0.747 1.00 6.18 H new ATOM 581 N ALA A 38 8.411 -9.208 -0.952 1.00 0.91 N ATOM 582 CA ALA A 38 9.762 -9.410 -0.461 1.00 1.00 C ATOM 583 C ALA A 38 10.054 -8.398 0.649 1.00 0.86 C ATOM 584 O ALA A 38 10.712 -8.725 1.635 1.00 0.98 O ATOM 585 CB ALA A 38 10.750 -9.300 -1.624 1.00 1.18 C ATOM 0 H ALA A 38 8.353 -8.827 -1.896 1.00 0.91 H new ATOM 0 HA ALA A 38 9.870 -10.407 -0.035 1.00 1.00 H new ATOM 0 HB1 ALA A 38 11.764 -9.452 -1.255 1.00 1.18 H new ATOM 0 HB2 ALA A 38 10.518 -10.059 -2.371 1.00 1.18 H new ATOM 0 HB3 ALA A 38 10.672 -8.311 -2.075 1.00 1.18 H new ATOM 591 N LEU A 39 9.549 -7.190 0.451 1.00 0.76 N ATOM 592 CA LEU A 39 9.836 -6.099 1.369 1.00 0.92 C ATOM 593 C LEU A 39 9.234 -6.419 2.738 1.00 1.10 C ATOM 594 O LEU A 39 9.806 -6.067 3.769 1.00 1.50 O ATOM 595 CB LEU A 39 9.361 -4.767 0.784 1.00 1.02 C ATOM 596 CG LEU A 39 10.291 -4.115 -0.240 1.00 1.08 C ATOM 597 CD1 LEU A 39 9.525 -3.136 -1.132 1.00 1.31 C ATOM 598 CD2 LEU A 39 11.484 -3.448 0.450 1.00 1.14 C ATOM 0 H LEU A 39 8.943 -6.942 -0.331 1.00 0.76 H new ATOM 0 HA LEU A 39 10.912 -5.993 1.510 1.00 0.92 H new ATOM 0 HB2 LEU A 39 8.390 -4.925 0.315 1.00 1.02 H new ATOM 0 HB3 LEU A 39 9.208 -4.066 1.605 1.00 1.02 H new ATOM 0 HG LEU A 39 10.688 -4.897 -0.887 1.00 1.08 H new ATOM 0 HD11 LEU A 39 10.210 -2.687 -1.851 1.00 1.31 H new ATOM 0 HD12 LEU A 39 8.738 -3.669 -1.665 1.00 1.31 H new ATOM 0 HD13 LEU A 39 9.081 -2.354 -0.516 1.00 1.31 H new ATOM 0 HD21 LEU A 39 12.130 -2.992 -0.300 1.00 1.14 H new ATOM 0 HD22 LEU A 39 11.125 -2.680 1.135 1.00 1.14 H new ATOM 0 HD23 LEU A 39 12.047 -4.197 1.007 1.00 1.14 H new ATOM 610 N SER A 40 8.089 -7.083 2.705 1.00 1.06 N ATOM 611 CA SER A 40 7.415 -7.477 3.931 1.00 1.36 C ATOM 612 C SER A 40 8.320 -8.394 4.754 1.00 1.43 C ATOM 613 O SER A 40 8.218 -8.439 5.980 1.00 1.68 O ATOM 614 CB SER A 40 6.086 -8.172 3.631 1.00 1.54 C ATOM 615 OG SER A 40 5.321 -8.393 4.813 1.00 2.70 O ATOM 0 H SER A 40 7.610 -7.359 1.848 1.00 1.06 H new ATOM 0 HA SER A 40 7.200 -6.577 4.507 1.00 1.36 H new ATOM 0 HB2 SER A 40 5.509 -7.565 2.934 1.00 1.54 H new ATOM 0 HB3 SER A 40 6.278 -9.126 3.140 1.00 1.54 H new ATOM 0 HG SER A 40 4.979 -9.311 4.814 1.00 2.70 H new ATOM 621 N THR A 41 9.188 -9.106 4.048 1.00 1.36 N ATOM 622 CA THR A 41 10.166 -9.956 4.703 1.00 1.57 C ATOM 623 C THR A 41 11.583 -9.566 4.278 1.00 1.69 C ATOM 624 O THR A 41 12.434 -10.430 4.071 1.00 2.37 O ATOM 625 CB THR A 41 9.816 -11.412 4.385 1.00 1.66 C ATOM 626 OG1 THR A 41 10.813 -12.166 5.066 1.00 2.27 O ATOM 627 CG2 THR A 41 10.031 -11.756 2.910 1.00 1.70 C ATOM 0 H THR A 41 9.233 -9.111 3.029 1.00 1.36 H new ATOM 0 HA THR A 41 10.138 -9.828 5.785 1.00 1.57 H new ATOM 0 HB THR A 41 8.777 -11.603 4.655 1.00 1.66 H new ATOM 0 HG1 THR A 41 11.699 -11.909 4.736 1.00 2.27 H new ATOM 0 HG21 THR A 41 9.768 -12.800 2.738 1.00 1.70 H new ATOM 0 HG22 THR A 41 9.401 -11.116 2.292 1.00 1.70 H new ATOM 0 HG23 THR A 41 11.077 -11.597 2.648 1.00 1.70 H new ATOM 635 N GLY A 42 11.793 -8.263 4.159 1.00 1.56 N ATOM 636 CA GLY A 42 12.986 -7.753 3.505 1.00 1.82 C ATOM 637 C GLY A 42 14.174 -7.735 4.468 1.00 2.11 C ATOM 638 O GLY A 42 14.721 -6.674 4.764 1.00 2.91 O ATOM 0 H GLY A 42 11.156 -7.545 4.505 1.00 1.56 H new ATOM 0 HA2 GLY A 42 13.224 -8.372 2.640 1.00 1.82 H new ATOM 0 HA3 GLY A 42 12.799 -6.745 3.134 1.00 1.82 H new ATOM 642 N GLU A 43 14.539 -8.922 4.930 1.00 2.39 N ATOM 643 CA GLU A 43 15.816 -9.105 5.600 1.00 3.36 C ATOM 644 C GLU A 43 16.965 -8.973 4.598 1.00 3.19 C ATOM 645 O GLU A 43 18.130 -8.915 4.989 1.00 4.29 O ATOM 646 CB GLU A 43 15.868 -10.452 6.322 1.00 4.48 C ATOM 647 CG GLU A 43 16.004 -11.603 5.323 1.00 4.47 C ATOM 648 CD GLU A 43 15.877 -12.957 6.027 1.00 5.53 C ATOM 649 OE1 GLU A 43 16.857 -13.339 6.702 1.00 6.54 O ATOM 650 OE2 GLU A 43 14.803 -13.578 5.872 1.00 5.95 O ATOM 0 H GLU A 43 13.973 -9.767 4.854 1.00 2.39 H new ATOM 0 HA GLU A 43 15.925 -8.324 6.352 1.00 3.36 H new ATOM 0 HB2 GLU A 43 16.709 -10.465 7.015 1.00 4.48 H new ATOM 0 HB3 GLU A 43 14.964 -10.586 6.916 1.00 4.48 H new ATOM 0 HG2 GLU A 43 15.236 -11.515 4.554 1.00 4.47 H new ATOM 0 HG3 GLU A 43 16.968 -11.540 4.819 1.00 4.47 H new ATOM 657 N LYS A 44 16.597 -8.931 3.326 1.00 2.33 N ATOM 658 CA LYS A 44 17.576 -8.751 2.268 1.00 2.43 C ATOM 659 C LYS A 44 18.476 -7.562 2.611 1.00 2.62 C ATOM 660 O LYS A 44 19.686 -7.612 2.397 1.00 3.28 O ATOM 661 CB LYS A 44 16.883 -8.626 0.911 1.00 2.62 C ATOM 662 CG LYS A 44 16.318 -9.973 0.458 1.00 3.41 C ATOM 663 CD LYS A 44 15.152 -9.781 -0.514 1.00 3.70 C ATOM 664 CE LYS A 44 15.556 -8.881 -1.683 1.00 2.68 C ATOM 665 NZ LYS A 44 14.519 -8.906 -2.738 1.00 3.64 N ATOM 0 H LYS A 44 15.633 -9.019 3.004 1.00 2.33 H new ATOM 0 HA LYS A 44 18.219 -9.628 2.191 1.00 2.43 H new ATOM 0 HB2 LYS A 44 16.079 -7.893 0.976 1.00 2.62 H new ATOM 0 HB3 LYS A 44 17.591 -8.257 0.169 1.00 2.62 H new ATOM 0 HG2 LYS A 44 17.103 -10.558 -0.022 1.00 3.41 H new ATOM 0 HG3 LYS A 44 15.983 -10.541 1.326 1.00 3.41 H new ATOM 0 HD2 LYS A 44 14.826 -10.750 -0.892 1.00 3.70 H new ATOM 0 HD3 LYS A 44 14.304 -9.342 0.012 1.00 3.70 H new ATOM 0 HE2 LYS A 44 15.700 -7.860 -1.331 1.00 2.68 H new ATOM 0 HE3 LYS A 44 16.509 -9.214 -2.094 1.00 2.68 H new ATOM 0 HZ1 LYS A 44 14.809 -8.290 -3.524 1.00 3.64 H new ATOM 0 HZ2 LYS A 44 14.401 -9.879 -3.086 1.00 3.64 H new ATOM 0 HZ3 LYS A 44 13.617 -8.567 -2.347 1.00 3.64 H new ATOM 679 N GLY A 45 17.850 -6.519 3.138 1.00 2.56 N ATOM 680 CA GLY A 45 18.563 -5.288 3.432 1.00 3.29 C ATOM 681 C GLY A 45 17.625 -4.240 4.032 1.00 3.16 C ATOM 682 O GLY A 45 17.983 -3.555 4.989 1.00 4.14 O ATOM 0 H GLY A 45 16.857 -6.502 3.369 1.00 2.56 H new ATOM 0 HA2 GLY A 45 19.377 -5.493 4.127 1.00 3.29 H new ATOM 0 HA3 GLY A 45 19.013 -4.898 2.519 1.00 3.29 H new ATOM 686 N PHE A 46 16.440 -4.147 3.445 1.00 2.28 N ATOM 687 CA PHE A 46 15.484 -3.129 3.845 1.00 2.39 C ATOM 688 C PHE A 46 14.059 -3.687 3.854 1.00 1.96 C ATOM 689 O PHE A 46 13.775 -4.683 3.191 1.00 1.82 O ATOM 690 CB PHE A 46 15.572 -2.003 2.813 1.00 2.61 C ATOM 691 CG PHE A 46 16.086 -2.453 1.444 1.00 2.61 C ATOM 692 CD1 PHE A 46 15.348 -3.309 0.688 1.00 3.02 C ATOM 693 CD2 PHE A 46 17.281 -1.996 0.983 1.00 3.30 C ATOM 694 CE1 PHE A 46 15.825 -3.727 -0.583 1.00 3.63 C ATOM 695 CE2 PHE A 46 17.759 -2.414 -0.287 1.00 3.73 C ATOM 696 CZ PHE A 46 17.020 -3.270 -1.044 1.00 3.70 C ATOM 0 H PHE A 46 16.121 -4.761 2.695 1.00 2.28 H new ATOM 0 HA PHE A 46 15.714 -2.778 4.851 1.00 2.39 H new ATOM 0 HB2 PHE A 46 14.584 -1.558 2.691 1.00 2.61 H new ATOM 0 HB3 PHE A 46 16.228 -1.222 3.197 1.00 2.61 H new ATOM 0 HD1 PHE A 46 14.399 -3.671 1.054 1.00 3.02 H new ATOM 0 HD2 PHE A 46 17.867 -1.315 1.583 1.00 3.30 H new ATOM 0 HE1 PHE A 46 15.239 -4.407 -1.183 1.00 3.63 H new ATOM 0 HE2 PHE A 46 18.709 -2.053 -0.652 1.00 3.73 H new ATOM 0 HZ PHE A 46 17.383 -3.586 -2.011 1.00 3.70 H new ATOM 706 N GLY A 47 13.203 -3.022 4.615 1.00 1.96 N ATOM 707 CA GLY A 47 11.824 -3.463 4.750 1.00 1.78 C ATOM 708 C GLY A 47 11.067 -2.592 5.755 1.00 2.00 C ATOM 709 O GLY A 47 11.658 -1.733 6.407 1.00 3.00 O ATOM 0 H GLY A 47 13.436 -2.182 5.144 1.00 1.96 H new ATOM 0 HA2 GLY A 47 11.328 -3.421 3.780 1.00 1.78 H new ATOM 0 HA3 GLY A 47 11.801 -4.503 5.075 1.00 1.78 H new ATOM 713 N TYR A 48 9.770 -2.844 5.849 1.00 1.48 N ATOM 714 CA TYR A 48 8.928 -2.104 6.774 1.00 1.81 C ATOM 715 C TYR A 48 9.124 -2.600 8.208 1.00 1.62 C ATOM 716 O TYR A 48 9.949 -2.064 8.946 1.00 3.23 O ATOM 717 CB TYR A 48 7.486 -2.381 6.345 1.00 2.06 C ATOM 718 CG TYR A 48 7.068 -1.655 5.065 1.00 3.04 C ATOM 719 CD1 TYR A 48 7.114 -0.277 5.006 1.00 4.44 C ATOM 720 CD2 TYR A 48 6.644 -2.379 3.969 1.00 3.52 C ATOM 721 CE1 TYR A 48 6.721 0.405 3.801 1.00 5.58 C ATOM 722 CE2 TYR A 48 6.252 -1.696 2.763 1.00 4.76 C ATOM 723 CZ TYR A 48 6.309 -0.338 2.738 1.00 5.48 C ATOM 724 OH TYR A 48 5.937 0.308 1.600 1.00 6.76 O ATOM 0 H TYR A 48 9.281 -3.551 5.300 1.00 1.48 H new ATOM 0 HA TYR A 48 9.174 -1.042 6.753 1.00 1.81 H new ATOM 0 HB2 TYR A 48 7.361 -3.454 6.200 1.00 2.06 H new ATOM 0 HB3 TYR A 48 6.815 -2.088 7.152 1.00 2.06 H new ATOM 0 HD1 TYR A 48 7.445 0.290 5.864 1.00 4.44 H new ATOM 0 HD2 TYR A 48 6.606 -3.457 4.016 1.00 3.52 H new ATOM 0 HE1 TYR A 48 6.752 1.483 3.742 1.00 5.58 H new ATOM 0 HE2 TYR A 48 5.920 -2.250 1.898 1.00 4.76 H new ATOM 0 HH TYR A 48 4.979 0.173 1.445 1.00 6.76 H new ATOM 734 N LYS A 49 8.353 -3.617 8.560 1.00 1.45 N ATOM 735 CA LYS A 49 8.565 -4.319 9.814 1.00 2.05 C ATOM 736 C LYS A 49 8.888 -3.305 10.913 1.00 2.58 C ATOM 737 O LYS A 49 10.054 -3.090 11.243 1.00 2.65 O ATOM 738 CB LYS A 49 9.631 -5.405 9.647 1.00 2.15 C ATOM 739 CG LYS A 49 9.663 -6.334 10.861 1.00 2.68 C ATOM 740 CD LYS A 49 8.322 -7.048 11.041 1.00 3.20 C ATOM 741 CE LYS A 49 8.517 -8.434 11.661 1.00 3.75 C ATOM 742 NZ LYS A 49 8.761 -9.443 10.607 1.00 5.09 N ATOM 0 H LYS A 49 7.579 -3.972 7.998 1.00 1.45 H new ATOM 0 HA LYS A 49 7.657 -4.840 10.117 1.00 2.05 H new ATOM 0 HB2 LYS A 49 9.427 -5.984 8.747 1.00 2.15 H new ATOM 0 HB3 LYS A 49 10.609 -4.942 9.513 1.00 2.15 H new ATOM 0 HG2 LYS A 49 10.457 -7.070 10.739 1.00 2.68 H new ATOM 0 HG3 LYS A 49 9.896 -5.759 11.757 1.00 2.68 H new ATOM 0 HD2 LYS A 49 7.670 -6.450 11.677 1.00 3.20 H new ATOM 0 HD3 LYS A 49 7.825 -7.144 10.076 1.00 3.20 H new ATOM 0 HE2 LYS A 49 9.357 -8.414 12.355 1.00 3.75 H new ATOM 0 HE3 LYS A 49 7.634 -8.708 12.238 1.00 3.75 H new ATOM 0 HZ1 LYS A 49 8.925 -10.371 11.046 1.00 5.09 H new ATOM 0 HZ2 LYS A 49 7.933 -9.498 9.980 1.00 5.09 H new ATOM 0 HZ3 LYS A 49 9.597 -9.170 10.052 1.00 5.09 H new ATOM 756 N GLY A 50 7.835 -2.709 11.451 1.00 3.16 N ATOM 757 CA GLY A 50 7.984 -1.786 12.564 1.00 3.97 C ATOM 758 C GLY A 50 8.087 -0.342 12.070 1.00 3.26 C ATOM 759 O GLY A 50 8.754 0.485 12.690 1.00 4.03 O ATOM 0 H GLY A 50 6.874 -2.847 11.137 1.00 3.16 H new ATOM 0 HA2 GLY A 50 7.133 -1.883 13.238 1.00 3.97 H new ATOM 0 HA3 GLY A 50 8.875 -2.042 13.137 1.00 3.97 H new ATOM 763 N SER A 51 7.417 -0.082 10.956 1.00 2.43 N ATOM 764 CA SER A 51 7.410 1.252 10.382 1.00 2.44 C ATOM 765 C SER A 51 6.086 1.952 10.698 1.00 2.06 C ATOM 766 O SER A 51 5.086 1.296 10.983 1.00 2.77 O ATOM 767 CB SER A 51 7.635 1.202 8.869 1.00 3.47 C ATOM 768 OG SER A 51 6.530 0.618 8.185 1.00 4.24 O ATOM 0 H SER A 51 6.876 -0.773 10.436 1.00 2.43 H new ATOM 0 HA SER A 51 8.228 1.819 10.826 1.00 2.44 H new ATOM 0 HB2 SER A 51 7.801 2.212 8.494 1.00 3.47 H new ATOM 0 HB3 SER A 51 8.538 0.630 8.655 1.00 3.47 H new ATOM 0 HG SER A 51 6.359 1.113 7.357 1.00 4.24 H new ATOM 774 N CYS A 52 6.124 3.276 10.639 1.00 2.04 N ATOM 775 CA CYS A 52 4.917 4.066 10.805 1.00 2.03 C ATOM 776 C CYS A 52 4.123 4.011 9.499 1.00 1.93 C ATOM 777 O CYS A 52 4.452 3.239 8.600 1.00 2.86 O ATOM 778 CB CYS A 52 5.236 5.505 11.218 1.00 2.72 C ATOM 779 SG CYS A 52 5.856 6.447 9.777 1.00 3.89 S ATOM 0 H CYS A 52 6.972 3.820 10.479 1.00 2.04 H new ATOM 0 HA CYS A 52 4.315 3.650 11.613 1.00 2.03 H new ATOM 0 HB2 CYS A 52 4.342 5.984 11.619 1.00 2.72 H new ATOM 0 HB3 CYS A 52 5.982 5.507 12.013 1.00 2.72 H new ATOM 0 HG CYS A 52 4.855 6.806 9.030 1.00 3.89 H new ATOM 785 N PHE A 53 3.091 4.840 9.434 1.00 1.63 N ATOM 786 CA PHE A 53 2.228 4.873 8.266 1.00 1.82 C ATOM 787 C PHE A 53 2.431 6.164 7.470 1.00 1.49 C ATOM 788 O PHE A 53 2.884 7.168 8.017 1.00 1.70 O ATOM 789 CB PHE A 53 0.785 4.821 8.773 1.00 2.49 C ATOM 790 CG PHE A 53 -0.033 3.661 8.204 1.00 3.88 C ATOM 791 CD1 PHE A 53 0.119 2.408 8.712 1.00 5.19 C ATOM 792 CD2 PHE A 53 -0.912 3.881 7.189 1.00 4.71 C ATOM 793 CE1 PHE A 53 -0.641 1.330 8.184 1.00 6.82 C ATOM 794 CE2 PHE A 53 -1.672 2.803 6.662 1.00 6.56 C ATOM 795 CZ PHE A 53 -1.520 1.551 7.170 1.00 7.39 C ATOM 0 H PHE A 53 2.833 5.495 10.173 1.00 1.63 H new ATOM 0 HA PHE A 53 2.459 4.034 7.610 1.00 1.82 H new ATOM 0 HB2 PHE A 53 0.795 4.746 9.860 1.00 2.49 H new ATOM 0 HB3 PHE A 53 0.289 5.759 8.523 1.00 2.49 H new ATOM 0 HD1 PHE A 53 0.818 2.233 9.517 1.00 5.19 H new ATOM 0 HD2 PHE A 53 -1.032 4.875 6.784 1.00 4.71 H new ATOM 0 HE1 PHE A 53 -0.521 0.336 8.588 1.00 6.82 H new ATOM 0 HE2 PHE A 53 -2.371 2.978 5.857 1.00 6.56 H new ATOM 0 HZ PHE A 53 -2.098 0.732 6.768 1.00 7.39 H new ATOM 805 N HIS A 54 2.085 6.095 6.193 1.00 1.84 N ATOM 806 CA HIS A 54 2.317 7.213 5.294 1.00 1.92 C ATOM 807 C HIS A 54 1.337 8.342 5.617 1.00 1.77 C ATOM 808 O HIS A 54 1.740 9.404 6.089 1.00 2.30 O ATOM 809 CB HIS A 54 2.241 6.761 3.835 1.00 2.33 C ATOM 810 CG HIS A 54 2.870 7.727 2.859 1.00 1.81 C ATOM 811 ND1 HIS A 54 3.345 7.337 1.619 1.00 1.90 N ATOM 812 CD2 HIS A 54 3.095 9.068 2.953 1.00 2.63 C ATOM 813 CE1 HIS A 54 3.833 8.404 1.004 1.00 2.46 C ATOM 814 NE2 HIS A 54 3.678 9.476 1.833 1.00 3.24 N ATOM 0 H HIS A 54 1.646 5.283 5.760 1.00 1.84 H new ATOM 0 HA HIS A 54 3.325 7.600 5.441 1.00 1.92 H new ATOM 0 HB2 HIS A 54 2.732 5.793 3.739 1.00 2.33 H new ATOM 0 HB3 HIS A 54 1.195 6.616 3.564 1.00 2.33 H new ATOM 0 HD1 HIS A 54 3.323 6.389 1.243 1.00 1.90 H new ATOM 0 HD2 HIS A 54 2.842 9.693 3.797 1.00 2.63 H new ATOM 0 HE1 HIS A 54 4.276 8.422 0.019 1.00 2.46 H new ATOM 0 HE2 HIS A 54 3.963 10.433 1.626 1.00 3.24 H new ATOM 822 N ARG A 55 0.066 8.075 5.349 1.00 1.40 N ATOM 823 CA ARG A 55 -0.985 9.018 5.690 1.00 1.58 C ATOM 824 C ARG A 55 -2.359 8.389 5.451 1.00 1.19 C ATOM 825 O ARG A 55 -2.515 7.545 4.571 1.00 1.17 O ATOM 826 CB ARG A 55 -0.866 10.300 4.864 1.00 1.94 C ATOM 827 CG ARG A 55 -0.723 9.979 3.374 1.00 2.04 C ATOM 828 CD ARG A 55 -1.088 11.191 2.515 1.00 1.79 C ATOM 829 NE ARG A 55 -0.244 11.225 1.300 1.00 2.59 N ATOM 830 CZ ARG A 55 1.078 11.446 1.310 1.00 4.03 C ATOM 831 NH1 ARG A 55 1.677 11.876 2.429 1.00 4.73 N ATOM 832 NH2 ARG A 55 1.800 11.238 0.201 1.00 5.28 N ATOM 0 H ARG A 55 -0.259 7.219 4.900 1.00 1.40 H new ATOM 0 HA ARG A 55 -0.875 9.270 6.745 1.00 1.58 H new ATOM 0 HB2 ARG A 55 -1.746 10.923 5.023 1.00 1.94 H new ATOM 0 HB3 ARG A 55 -0.004 10.875 5.200 1.00 1.94 H new ATOM 0 HG2 ARG A 55 0.301 9.673 3.161 1.00 2.04 H new ATOM 0 HG3 ARG A 55 -1.367 9.138 3.116 1.00 2.04 H new ATOM 0 HD2 ARG A 55 -2.140 11.145 2.235 1.00 1.79 H new ATOM 0 HD3 ARG A 55 -0.951 12.108 3.088 1.00 1.79 H new ATOM 0 HE ARG A 55 -0.696 11.071 0.399 1.00 2.59 H new ATOM 0 HH11 ARG A 55 1.127 12.035 3.273 1.00 4.73 H new ATOM 0 HH12 ARG A 55 2.683 12.044 2.437 1.00 4.73 H new ATOM 0 HH21 ARG A 55 1.344 10.912 -0.651 1.00 5.28 H new ATOM 0 HH22 ARG A 55 2.806 11.406 0.208 1.00 5.28 H new ATOM 846 N ILE A 56 -3.322 8.826 6.250 1.00 1.07 N ATOM 847 CA ILE A 56 -4.652 8.242 6.209 1.00 0.83 C ATOM 848 C ILE A 56 -5.679 9.346 5.945 1.00 0.91 C ATOM 849 O ILE A 56 -5.794 10.290 6.724 1.00 1.04 O ATOM 850 CB ILE A 56 -4.925 7.439 7.482 1.00 0.72 C ATOM 851 CG1 ILE A 56 -3.779 6.467 7.772 1.00 0.90 C ATOM 852 CG2 ILE A 56 -6.275 6.725 7.400 1.00 0.68 C ATOM 853 CD1 ILE A 56 -4.048 5.669 9.050 1.00 0.92 C ATOM 0 H ILE A 56 -3.207 9.578 6.930 1.00 1.07 H new ATOM 0 HA ILE A 56 -4.731 7.529 5.389 1.00 0.83 H new ATOM 0 HB ILE A 56 -4.979 8.134 8.320 1.00 0.72 H new ATOM 0 HG12 ILE A 56 -3.655 5.784 6.932 1.00 0.90 H new ATOM 0 HG13 ILE A 56 -2.845 7.020 7.874 1.00 0.90 H new ATOM 0 HG21 ILE A 56 -6.445 6.161 8.317 1.00 0.68 H new ATOM 0 HG22 ILE A 56 -7.069 7.461 7.274 1.00 0.68 H new ATOM 0 HG23 ILE A 56 -6.275 6.043 6.550 1.00 0.68 H new ATOM 0 HD11 ILE A 56 -3.219 4.986 9.234 1.00 0.92 H new ATOM 0 HD12 ILE A 56 -4.147 6.354 9.892 1.00 0.92 H new ATOM 0 HD13 ILE A 56 -4.970 5.099 8.936 1.00 0.92 H new ATOM 865 N ILE A 57 -6.400 9.187 4.845 1.00 0.96 N ATOM 866 CA ILE A 57 -7.507 10.078 4.541 1.00 1.09 C ATOM 867 C ILE A 57 -8.797 9.261 4.426 1.00 1.07 C ATOM 868 O ILE A 57 -8.829 8.238 3.743 1.00 1.07 O ATOM 869 CB ILE A 57 -7.196 10.915 3.299 1.00 1.31 C ATOM 870 CG1 ILE A 57 -5.963 11.791 3.523 1.00 1.48 C ATOM 871 CG2 ILE A 57 -8.415 11.737 2.873 1.00 1.52 C ATOM 872 CD1 ILE A 57 -5.617 12.583 2.260 1.00 1.63 C ATOM 0 H ILE A 57 -6.239 8.455 4.153 1.00 0.96 H new ATOM 0 HA ILE A 57 -7.653 10.794 5.350 1.00 1.09 H new ATOM 0 HB ILE A 57 -6.963 10.236 2.479 1.00 1.31 H new ATOM 0 HG12 ILE A 57 -6.146 12.478 4.349 1.00 1.48 H new ATOM 0 HG13 ILE A 57 -5.116 11.167 3.809 1.00 1.48 H new ATOM 0 HG21 ILE A 57 -8.167 12.323 1.988 1.00 1.52 H new ATOM 0 HG22 ILE A 57 -9.244 11.067 2.644 1.00 1.52 H new ATOM 0 HG23 ILE A 57 -8.703 12.407 3.683 1.00 1.52 H new ATOM 0 HD11 ILE A 57 -4.736 13.198 2.446 1.00 1.63 H new ATOM 0 HD12 ILE A 57 -5.411 11.892 1.442 1.00 1.63 H new ATOM 0 HD13 ILE A 57 -6.457 13.224 1.991 1.00 1.63 H new ATOM 884 N PRO A 58 -9.856 9.756 5.122 1.00 1.12 N ATOM 885 CA PRO A 58 -11.115 9.036 5.179 1.00 1.18 C ATOM 886 C PRO A 58 -11.880 9.162 3.860 1.00 1.32 C ATOM 887 O PRO A 58 -12.051 10.264 3.340 1.00 1.61 O ATOM 888 CB PRO A 58 -11.861 9.642 6.358 1.00 1.26 C ATOM 889 CG PRO A 58 -11.198 10.982 6.627 1.00 1.27 C ATOM 890 CD PRO A 58 -9.880 11.010 5.869 1.00 1.18 C ATOM 0 HA PRO A 58 -10.980 7.963 5.318 1.00 1.18 H new ATOM 0 HB2 PRO A 58 -12.919 9.769 6.127 1.00 1.26 H new ATOM 0 HB3 PRO A 58 -11.801 8.994 7.233 1.00 1.26 H new ATOM 0 HG2 PRO A 58 -11.843 11.799 6.302 1.00 1.27 H new ATOM 0 HG3 PRO A 58 -11.027 11.116 7.695 1.00 1.27 H new ATOM 0 HD2 PRO A 58 -9.825 11.870 5.201 1.00 1.18 H new ATOM 0 HD3 PRO A 58 -9.032 11.081 6.551 1.00 1.18 H new ATOM 898 N GLY A 59 -12.318 8.019 3.355 1.00 1.19 N ATOM 899 CA GLY A 59 -13.143 7.996 2.158 1.00 1.31 C ATOM 900 C GLY A 59 -12.302 8.270 0.910 1.00 1.34 C ATOM 901 O GLY A 59 -12.736 8.987 0.009 1.00 1.49 O ATOM 0 H GLY A 59 -12.118 7.101 3.752 1.00 1.19 H new ATOM 0 HA2 GLY A 59 -13.631 7.026 2.067 1.00 1.31 H new ATOM 0 HA3 GLY A 59 -13.932 8.743 2.241 1.00 1.31 H new ATOM 905 N PHE A 60 -11.113 7.685 0.895 1.00 1.21 N ATOM 906 CA PHE A 60 -10.236 7.800 -0.258 1.00 1.26 C ATOM 907 C PHE A 60 -9.341 6.566 -0.392 1.00 1.10 C ATOM 908 O PHE A 60 -9.413 5.849 -1.388 1.00 1.24 O ATOM 909 CB PHE A 60 -9.356 9.031 -0.030 1.00 1.31 C ATOM 910 CG PHE A 60 -8.510 9.425 -1.242 1.00 1.33 C ATOM 911 CD1 PHE A 60 -8.675 8.776 -2.426 1.00 1.55 C ATOM 912 CD2 PHE A 60 -7.593 10.424 -1.136 1.00 2.74 C ATOM 913 CE1 PHE A 60 -7.890 9.141 -3.551 1.00 1.55 C ATOM 914 CE2 PHE A 60 -6.807 10.788 -2.261 1.00 2.79 C ATOM 915 CZ PHE A 60 -6.973 10.140 -3.445 1.00 1.43 C ATOM 0 H PHE A 60 -10.736 7.130 1.663 1.00 1.21 H new ATOM 0 HA PHE A 60 -10.829 7.886 -1.169 1.00 1.26 H new ATOM 0 HB2 PHE A 60 -9.991 9.873 0.246 1.00 1.31 H new ATOM 0 HB3 PHE A 60 -8.695 8.840 0.815 1.00 1.31 H new ATOM 0 HD1 PHE A 60 -9.403 7.983 -2.510 1.00 1.55 H new ATOM 0 HD2 PHE A 60 -7.463 10.940 -0.196 1.00 2.74 H new ATOM 0 HE1 PHE A 60 -8.021 8.626 -4.491 1.00 1.55 H new ATOM 0 HE2 PHE A 60 -6.077 11.580 -2.176 1.00 2.79 H new ATOM 0 HZ PHE A 60 -6.377 10.419 -4.301 1.00 1.43 H new ATOM 925 N MET A 61 -8.519 6.357 0.626 1.00 0.85 N ATOM 926 CA MET A 61 -7.659 5.188 0.665 1.00 0.62 C ATOM 927 C MET A 61 -6.977 5.053 2.028 1.00 0.55 C ATOM 928 O MET A 61 -7.146 5.908 2.898 1.00 0.56 O ATOM 929 CB MET A 61 -6.596 5.297 -0.429 1.00 0.79 C ATOM 930 CG MET A 61 -5.470 6.243 -0.007 1.00 1.20 C ATOM 931 SD MET A 61 -5.489 7.709 -1.025 1.00 2.01 S ATOM 932 CE MET A 61 -5.149 8.951 0.211 1.00 1.41 C ATOM 0 H MET A 61 -8.431 6.978 1.430 1.00 0.85 H new ATOM 0 HA MET A 61 -8.274 4.304 0.498 1.00 0.62 H new ATOM 0 HB2 MET A 61 -6.186 4.310 -0.642 1.00 0.79 H new ATOM 0 HB3 MET A 61 -7.053 5.658 -1.350 1.00 0.79 H new ATOM 0 HG2 MET A 61 -5.588 6.517 1.041 1.00 1.20 H new ATOM 0 HG3 MET A 61 -4.508 5.739 -0.098 1.00 1.20 H new ATOM 0 HE1 MET A 61 -4.880 9.887 -0.278 1.00 1.41 H new ATOM 0 HE2 MET A 61 -6.036 9.104 0.826 1.00 1.41 H new ATOM 0 HE3 MET A 61 -4.323 8.621 0.841 1.00 1.41 H new ATOM 942 N CYS A 62 -6.221 3.975 2.173 1.00 0.65 N ATOM 943 CA CYS A 62 -5.449 3.760 3.384 1.00 0.82 C ATOM 944 C CYS A 62 -4.031 3.350 2.984 1.00 1.01 C ATOM 945 O CYS A 62 -3.612 2.220 3.236 1.00 1.74 O ATOM 946 CB CYS A 62 -6.106 2.723 4.298 1.00 1.07 C ATOM 947 SG CYS A 62 -7.520 3.475 5.182 1.00 2.18 S ATOM 0 H CYS A 62 -6.127 3.241 1.471 1.00 0.65 H new ATOM 0 HA CYS A 62 -5.410 4.684 3.961 1.00 0.82 H new ATOM 0 HB2 CYS A 62 -6.446 1.871 3.710 1.00 1.07 H new ATOM 0 HB3 CYS A 62 -5.378 2.345 5.015 1.00 1.07 H new ATOM 0 HG CYS A 62 -7.842 4.598 4.611 1.00 2.18 H new ATOM 953 N GLN A 63 -3.329 4.289 2.366 1.00 1.37 N ATOM 954 CA GLN A 63 -1.953 4.053 1.965 1.00 1.66 C ATOM 955 C GLN A 63 -1.062 3.886 3.198 1.00 1.51 C ATOM 956 O GLN A 63 -1.243 4.579 4.197 1.00 1.83 O ATOM 957 CB GLN A 63 -1.442 5.184 1.069 1.00 2.18 C ATOM 958 CG GLN A 63 -1.389 6.508 1.833 1.00 3.38 C ATOM 959 CD GLN A 63 -0.696 7.592 1.005 1.00 4.72 C ATOM 960 OE1 GLN A 63 -1.292 8.576 0.599 1.00 5.69 O ATOM 961 NE2 GLN A 63 0.593 7.357 0.777 1.00 5.34 N ATOM 0 H GLN A 63 -3.688 5.215 2.133 1.00 1.37 H new ATOM 0 HA GLN A 63 -1.917 3.130 1.387 1.00 1.66 H new ATOM 0 HB2 GLN A 63 -0.449 4.936 0.695 1.00 2.18 H new ATOM 0 HB3 GLN A 63 -2.093 5.287 0.201 1.00 2.18 H new ATOM 0 HG2 GLN A 63 -2.400 6.828 2.084 1.00 3.38 H new ATOM 0 HG3 GLN A 63 -0.857 6.368 2.774 1.00 3.38 H new ATOM 0 HE21 GLN A 63 1.031 6.513 1.146 1.00 5.34 H new ATOM 0 HE22 GLN A 63 1.144 8.021 0.233 1.00 5.34 H new ATOM 970 N GLY A 64 -0.119 2.962 3.086 1.00 1.48 N ATOM 971 CA GLY A 64 0.781 2.673 4.190 1.00 1.89 C ATOM 972 C GLY A 64 2.192 2.374 3.682 1.00 1.94 C ATOM 973 O GLY A 64 2.929 1.607 4.302 1.00 2.96 O ATOM 0 H GLY A 64 0.041 2.404 2.248 1.00 1.48 H new ATOM 0 HA2 GLY A 64 0.809 3.522 4.873 1.00 1.89 H new ATOM 0 HA3 GLY A 64 0.406 1.820 4.756 1.00 1.89 H new ATOM 977 N GLY A 65 2.528 2.994 2.560 1.00 2.42 N ATOM 978 CA GLY A 65 3.823 2.772 1.940 1.00 2.81 C ATOM 979 C GLY A 65 4.669 4.046 1.968 1.00 2.49 C ATOM 980 O GLY A 65 4.566 4.883 1.073 1.00 3.28 O ATOM 0 H GLY A 65 1.925 3.650 2.064 1.00 2.42 H new ATOM 0 HA2 GLY A 65 4.347 1.971 2.461 1.00 2.81 H new ATOM 0 HA3 GLY A 65 3.686 2.445 0.909 1.00 2.81 H new ATOM 984 N ASP A 66 5.488 4.152 3.004 1.00 2.23 N ATOM 985 CA ASP A 66 6.405 5.274 3.121 1.00 2.53 C ATOM 986 C ASP A 66 7.819 4.746 3.373 1.00 2.05 C ATOM 987 O ASP A 66 8.017 3.864 4.208 1.00 2.17 O ATOM 988 CB ASP A 66 6.022 6.178 4.294 1.00 3.33 C ATOM 989 CG ASP A 66 5.555 5.443 5.552 1.00 4.65 C ATOM 990 OD1 ASP A 66 5.536 4.194 5.505 1.00 5.26 O ATOM 991 OD2 ASP A 66 5.226 6.148 6.531 1.00 5.82 O ATOM 0 H ASP A 66 5.536 3.480 3.770 1.00 2.23 H new ATOM 0 HA ASP A 66 6.358 5.846 2.195 1.00 2.53 H new ATOM 0 HB2 ASP A 66 6.881 6.797 4.551 1.00 3.33 H new ATOM 0 HB3 ASP A 66 5.229 6.852 3.970 1.00 3.33 H new ATOM 996 N PHE A 67 8.766 5.307 2.636 1.00 2.54 N ATOM 997 CA PHE A 67 10.149 4.871 2.735 1.00 2.66 C ATOM 998 C PHE A 67 11.107 6.058 2.616 1.00 3.03 C ATOM 999 O PHE A 67 11.223 6.663 1.551 1.00 4.60 O ATOM 1000 CB PHE A 67 10.400 3.910 1.572 1.00 3.40 C ATOM 1001 CG PHE A 67 10.719 2.478 2.007 1.00 3.12 C ATOM 1002 CD1 PHE A 67 11.978 2.154 2.409 1.00 3.50 C ATOM 1003 CD2 PHE A 67 9.744 1.529 1.990 1.00 3.96 C ATOM 1004 CE1 PHE A 67 12.274 0.825 2.811 1.00 4.08 C ATOM 1005 CE2 PHE A 67 10.042 0.200 2.394 1.00 4.59 C ATOM 1006 CZ PHE A 67 11.299 -0.124 2.796 1.00 4.40 C ATOM 0 H PHE A 67 8.603 6.060 1.967 1.00 2.54 H new ATOM 0 HA PHE A 67 10.321 4.395 3.700 1.00 2.66 H new ATOM 0 HB2 PHE A 67 9.520 3.896 0.929 1.00 3.40 H new ATOM 0 HB3 PHE A 67 11.227 4.290 0.972 1.00 3.40 H new ATOM 0 HD1 PHE A 67 12.752 2.907 2.422 1.00 3.50 H new ATOM 0 HD2 PHE A 67 8.745 1.786 1.670 1.00 3.96 H new ATOM 0 HE1 PHE A 67 13.273 0.567 3.129 1.00 4.08 H new ATOM 0 HE2 PHE A 67 9.269 -0.554 2.382 1.00 4.59 H new ATOM 0 HZ PHE A 67 11.524 -1.135 3.104 1.00 4.40 H new ATOM 1016 N THR A 68 11.769 6.357 3.724 1.00 2.14 N ATOM 1017 CA THR A 68 12.886 7.287 3.701 1.00 2.70 C ATOM 1018 C THR A 68 12.391 8.721 3.900 1.00 2.71 C ATOM 1019 O THR A 68 13.157 9.595 4.300 1.00 3.32 O ATOM 1020 CB THR A 68 13.645 7.081 2.388 1.00 3.49 C ATOM 1021 OG1 THR A 68 15.016 7.184 2.759 1.00 4.13 O ATOM 1022 CG2 THR A 68 13.437 8.236 1.406 1.00 4.39 C ATOM 0 H THR A 68 11.554 5.972 4.644 1.00 2.14 H new ATOM 0 HA THR A 68 13.575 7.099 4.524 1.00 2.70 H new ATOM 0 HB THR A 68 13.324 6.148 1.925 1.00 3.49 H new ATOM 0 HG1 THR A 68 15.579 7.061 1.967 1.00 4.13 H new ATOM 0 HG21 THR A 68 13.996 8.041 0.491 1.00 4.39 H new ATOM 0 HG22 THR A 68 12.377 8.327 1.171 1.00 4.39 H new ATOM 0 HG23 THR A 68 13.790 9.164 1.856 1.00 4.39 H new ATOM 1030 N ARG A 69 11.113 8.916 3.609 1.00 2.71 N ATOM 1031 CA ARG A 69 10.467 10.186 3.898 1.00 3.46 C ATOM 1032 C ARG A 69 9.043 9.952 4.407 1.00 3.70 C ATOM 1033 O ARG A 69 8.087 10.012 3.636 1.00 4.86 O ATOM 1034 CB ARG A 69 10.417 11.073 2.652 1.00 3.99 C ATOM 1035 CG ARG A 69 11.806 11.617 2.310 1.00 4.15 C ATOM 1036 CD ARG A 69 12.219 12.718 3.287 1.00 5.27 C ATOM 1037 NE ARG A 69 13.473 13.357 2.830 1.00 5.66 N ATOM 1038 CZ ARG A 69 14.698 12.885 3.098 1.00 5.86 C ATOM 1039 NH1 ARG A 69 14.840 11.701 3.711 1.00 5.81 N ATOM 1040 NH2 ARG A 69 15.781 13.596 2.756 1.00 6.66 N ATOM 0 H ARG A 69 10.508 8.217 3.177 1.00 2.71 H new ATOM 0 HA ARG A 69 11.053 10.691 4.666 1.00 3.46 H new ATOM 0 HB2 ARG A 69 10.029 10.501 1.809 1.00 3.99 H new ATOM 0 HB3 ARG A 69 9.729 11.902 2.819 1.00 3.99 H new ATOM 0 HG2 ARG A 69 12.535 10.807 2.340 1.00 4.15 H new ATOM 0 HG3 ARG A 69 11.807 12.009 1.293 1.00 4.15 H new ATOM 0 HD2 ARG A 69 11.428 13.464 3.363 1.00 5.27 H new ATOM 0 HD3 ARG A 69 12.357 12.298 4.283 1.00 5.27 H new ATOM 0 HE ARG A 69 13.400 14.210 2.276 1.00 5.66 H new ATOM 0 HH11 ARG A 69 14.016 11.160 3.973 1.00 5.81 H new ATOM 0 HH12 ARG A 69 15.772 11.341 3.915 1.00 5.81 H new ATOM 0 HH21 ARG A 69 15.673 14.498 2.291 1.00 6.66 H new ATOM 0 HH22 ARG A 69 16.713 13.236 2.961 1.00 6.66 H new ATOM 1054 N HIS A 70 8.947 9.691 5.701 1.00 3.23 N ATOM 1055 CA HIS A 70 7.682 9.288 6.293 1.00 3.77 C ATOM 1056 C HIS A 70 6.898 10.531 6.719 1.00 4.44 C ATOM 1057 O HIS A 70 6.468 10.634 7.867 1.00 5.32 O ATOM 1058 CB HIS A 70 7.908 8.306 7.443 1.00 4.08 C ATOM 1059 CG HIS A 70 8.943 7.245 7.152 1.00 3.51 C ATOM 1060 ND1 HIS A 70 8.609 5.941 6.831 1.00 3.93 N ATOM 1061 CD2 HIS A 70 10.305 7.310 7.132 1.00 3.48 C ATOM 1062 CE1 HIS A 70 9.728 5.260 6.633 1.00 3.80 C ATOM 1063 NE2 HIS A 70 10.778 6.110 6.820 1.00 3.79 N ATOM 0 H HIS A 70 9.725 9.751 6.358 1.00 3.23 H new ATOM 0 HA HIS A 70 7.082 8.757 5.554 1.00 3.77 H new ATOM 0 HB2 HIS A 70 8.214 8.864 8.328 1.00 4.08 H new ATOM 0 HB3 HIS A 70 6.962 7.820 7.683 1.00 4.08 H new ATOM 0 HD2 HIS A 70 10.898 8.189 7.336 1.00 3.48 H new ATOM 0 HE1 HIS A 70 9.797 4.215 6.370 1.00 3.80 H new ATOM 0 HE2 HIS A 70 11.764 5.864 6.734 1.00 3.79 H new ATOM 1071 N ASN A 71 6.734 11.442 5.772 1.00 4.32 N ATOM 1072 CA ASN A 71 6.068 12.703 6.054 1.00 5.07 C ATOM 1073 C ASN A 71 5.375 13.204 4.784 1.00 5.23 C ATOM 1074 O ASN A 71 4.203 13.575 4.819 1.00 6.17 O ATOM 1075 CB ASN A 71 7.073 13.769 6.496 1.00 5.35 C ATOM 1076 CG ASN A 71 7.816 13.332 7.760 1.00 6.15 C ATOM 1077 OD1 ASN A 71 8.921 12.818 7.714 1.00 6.14 O ATOM 1078 ND2 ASN A 71 7.150 13.566 8.886 1.00 7.70 N ATOM 0 H ASN A 71 7.050 11.333 4.809 1.00 4.32 H new ATOM 0 HA ASN A 71 5.347 12.533 6.854 1.00 5.07 H new ATOM 0 HB2 ASN A 71 7.789 13.954 5.695 1.00 5.35 H new ATOM 0 HB3 ASN A 71 6.553 14.709 6.682 1.00 5.35 H new ATOM 0 HD21 ASN A 71 7.561 13.312 9.784 1.00 7.70 H new ATOM 0 HD22 ASN A 71 6.228 14.000 8.852 1.00 7.70 H new ATOM 1085 N GLY A 72 6.129 13.196 3.695 1.00 4.63 N ATOM 1086 CA GLY A 72 5.624 13.707 2.433 1.00 5.05 C ATOM 1087 C GLY A 72 5.341 12.567 1.453 1.00 4.71 C ATOM 1088 O GLY A 72 4.185 12.274 1.152 1.00 5.48 O ATOM 0 H GLY A 72 7.086 12.844 3.661 1.00 4.63 H new ATOM 0 HA2 GLY A 72 4.711 14.277 2.607 1.00 5.05 H new ATOM 0 HA3 GLY A 72 6.350 14.393 1.998 1.00 5.05 H new ATOM 1092 N THR A 73 6.418 11.954 0.982 1.00 3.86 N ATOM 1093 CA THR A 73 6.303 10.890 -0.002 1.00 3.77 C ATOM 1094 C THR A 73 7.133 9.678 0.426 1.00 3.56 C ATOM 1095 O THR A 73 6.626 8.777 1.092 1.00 4.56 O ATOM 1096 CB THR A 73 6.711 11.458 -1.362 1.00 3.75 C ATOM 1097 OG1 THR A 73 5.644 12.337 -1.705 1.00 5.04 O ATOM 1098 CG2 THR A 73 6.693 10.400 -2.467 1.00 3.48 C ATOM 0 H THR A 73 7.374 12.174 1.263 1.00 3.86 H new ATOM 0 HA THR A 73 5.277 10.531 -0.080 1.00 3.77 H new ATOM 0 HB THR A 73 7.709 11.891 -1.290 1.00 3.75 H new ATOM 0 HG1 THR A 73 5.942 12.955 -2.405 1.00 5.04 H new ATOM 0 HG21 THR A 73 6.990 10.855 -3.412 1.00 3.48 H new ATOM 0 HG22 THR A 73 7.388 9.599 -2.215 1.00 3.48 H new ATOM 0 HG23 THR A 73 5.687 9.991 -2.562 1.00 3.48 H new ATOM 1106 N GLY A 74 8.396 9.696 0.024 1.00 2.95 N ATOM 1107 CA GLY A 74 9.259 8.542 0.219 1.00 2.85 C ATOM 1108 C GLY A 74 8.840 7.384 -0.689 1.00 3.19 C ATOM 1109 O GLY A 74 7.658 7.223 -0.989 1.00 4.50 O ATOM 0 H GLY A 74 8.842 10.490 -0.435 1.00 2.95 H new ATOM 0 HA2 GLY A 74 10.293 8.817 0.010 1.00 2.85 H new ATOM 0 HA3 GLY A 74 9.218 8.225 1.261 1.00 2.85 H new ATOM 1113 N GLY A 75 9.833 6.608 -1.101 1.00 2.58 N ATOM 1114 CA GLY A 75 9.584 5.479 -1.981 1.00 3.05 C ATOM 1115 C GLY A 75 10.888 4.961 -2.590 1.00 2.34 C ATOM 1116 O GLY A 75 11.609 5.707 -3.250 1.00 2.90 O ATOM 0 H GLY A 75 10.811 6.739 -0.842 1.00 2.58 H new ATOM 0 HA2 GLY A 75 9.096 4.680 -1.424 1.00 3.05 H new ATOM 0 HA3 GLY A 75 8.900 5.777 -2.776 1.00 3.05 H new ATOM 1120 N LYS A 76 11.152 3.685 -2.345 1.00 2.06 N ATOM 1121 CA LYS A 76 12.272 3.017 -2.985 1.00 1.67 C ATOM 1122 C LYS A 76 11.838 1.620 -3.432 1.00 1.56 C ATOM 1123 O LYS A 76 10.696 1.219 -3.208 1.00 2.11 O ATOM 1124 CB LYS A 76 13.494 3.016 -2.065 1.00 2.00 C ATOM 1125 CG LYS A 76 13.247 2.154 -0.826 1.00 3.35 C ATOM 1126 CD LYS A 76 13.978 0.814 -0.937 1.00 4.68 C ATOM 1127 CE LYS A 76 15.494 1.012 -0.902 1.00 5.31 C ATOM 1128 NZ LYS A 76 16.114 0.488 -2.140 1.00 6.19 N ATOM 0 H LYS A 76 10.609 3.097 -1.712 1.00 2.06 H new ATOM 0 HA LYS A 76 12.577 3.559 -3.880 1.00 1.67 H new ATOM 0 HB2 LYS A 76 14.361 2.640 -2.607 1.00 2.00 H new ATOM 0 HB3 LYS A 76 13.726 4.037 -1.762 1.00 2.00 H new ATOM 0 HG2 LYS A 76 13.585 2.684 0.064 1.00 3.35 H new ATOM 0 HG3 LYS A 76 12.178 1.980 -0.706 1.00 3.35 H new ATOM 0 HD2 LYS A 76 13.674 0.161 -0.119 1.00 4.68 H new ATOM 0 HD3 LYS A 76 13.694 0.316 -1.864 1.00 4.68 H new ATOM 0 HE2 LYS A 76 15.726 2.071 -0.792 1.00 5.31 H new ATOM 0 HE3 LYS A 76 15.913 0.502 -0.034 1.00 5.31 H new ATOM 0 HZ1 LYS A 76 17.122 0.298 -1.970 1.00 6.19 H new ATOM 0 HZ2 LYS A 76 15.638 -0.393 -2.420 1.00 6.19 H new ATOM 0 HZ3 LYS A 76 16.018 1.191 -2.901 1.00 6.19 H new ATOM 1142 N SER A 77 12.771 0.915 -4.055 1.00 1.20 N ATOM 1143 CA SER A 77 12.494 -0.422 -4.550 1.00 1.18 C ATOM 1144 C SER A 77 13.672 -1.348 -4.242 1.00 1.07 C ATOM 1145 O SER A 77 14.723 -0.894 -3.793 1.00 1.38 O ATOM 1146 CB SER A 77 12.212 -0.406 -6.053 1.00 1.41 C ATOM 1147 OG SER A 77 11.982 -1.715 -6.568 1.00 2.12 O ATOM 0 H SER A 77 13.720 1.245 -4.228 1.00 1.20 H new ATOM 0 HA SER A 77 11.603 -0.796 -4.045 1.00 1.18 H new ATOM 0 HB2 SER A 77 11.342 0.220 -6.252 1.00 1.41 H new ATOM 0 HB3 SER A 77 13.055 0.046 -6.575 1.00 1.41 H new ATOM 0 HG SER A 77 11.544 -1.650 -7.443 1.00 2.12 H new ATOM 1153 N ILE A 78 13.457 -2.631 -4.495 1.00 0.92 N ATOM 1154 CA ILE A 78 14.491 -3.624 -4.258 1.00 0.99 C ATOM 1155 C ILE A 78 15.576 -3.491 -5.327 1.00 1.11 C ATOM 1156 O ILE A 78 16.725 -3.869 -5.102 1.00 1.41 O ATOM 1157 CB ILE A 78 13.880 -5.024 -4.173 1.00 1.10 C ATOM 1158 CG1 ILE A 78 13.275 -5.440 -5.516 1.00 1.61 C ATOM 1159 CG2 ILE A 78 12.861 -5.110 -3.035 1.00 1.35 C ATOM 1160 CD1 ILE A 78 13.028 -6.949 -5.562 1.00 1.72 C ATOM 0 H ILE A 78 12.582 -3.006 -4.862 1.00 0.92 H new ATOM 0 HA ILE A 78 14.970 -3.451 -3.294 1.00 0.99 H new ATOM 0 HB ILE A 78 14.677 -5.731 -3.945 1.00 1.10 H new ATOM 0 HG12 ILE A 78 12.337 -4.909 -5.676 1.00 1.61 H new ATOM 0 HG13 ILE A 78 13.946 -5.153 -6.326 1.00 1.61 H new ATOM 0 HG21 ILE A 78 12.442 -6.116 -2.997 1.00 1.35 H new ATOM 0 HG22 ILE A 78 13.353 -4.886 -2.088 1.00 1.35 H new ATOM 0 HG23 ILE A 78 12.061 -4.390 -3.208 1.00 1.35 H new ATOM 0 HD11 ILE A 78 12.598 -7.218 -6.527 1.00 1.72 H new ATOM 0 HD12 ILE A 78 13.972 -7.477 -5.426 1.00 1.72 H new ATOM 0 HD13 ILE A 78 12.338 -7.229 -4.766 1.00 1.72 H new ATOM 1172 N TYR A 79 15.173 -2.951 -6.469 1.00 1.08 N ATOM 1173 CA TYR A 79 16.090 -2.787 -7.584 1.00 1.31 C ATOM 1174 C TYR A 79 16.782 -1.424 -7.529 1.00 1.39 C ATOM 1175 O TYR A 79 17.673 -1.142 -8.329 1.00 1.73 O ATOM 1176 CB TYR A 79 15.233 -2.860 -8.850 1.00 1.46 C ATOM 1177 CG TYR A 79 14.462 -4.172 -9.004 1.00 1.42 C ATOM 1178 CD1 TYR A 79 15.136 -5.376 -8.978 1.00 2.27 C ATOM 1179 CD2 TYR A 79 13.093 -4.153 -9.169 1.00 1.94 C ATOM 1180 CE1 TYR A 79 14.410 -6.612 -9.123 1.00 2.37 C ATOM 1181 CE2 TYR A 79 12.366 -5.388 -9.314 1.00 2.19 C ATOM 1182 CZ TYR A 79 13.061 -6.557 -9.284 1.00 1.85 C ATOM 1183 OH TYR A 79 12.376 -7.723 -9.422 1.00 2.21 O ATOM 0 H TYR A 79 14.224 -2.622 -6.645 1.00 1.08 H new ATOM 0 HA TYR A 79 16.865 -3.553 -7.559 1.00 1.31 H new ATOM 0 HB2 TYR A 79 14.524 -2.032 -8.845 1.00 1.46 H new ATOM 0 HB3 TYR A 79 15.876 -2.724 -9.720 1.00 1.46 H new ATOM 0 HD1 TYR A 79 16.208 -5.392 -8.849 1.00 2.27 H new ATOM 0 HD2 TYR A 79 12.565 -3.211 -9.190 1.00 1.94 H new ATOM 0 HE1 TYR A 79 14.926 -7.561 -9.104 1.00 2.37 H new ATOM 0 HE2 TYR A 79 11.294 -5.386 -9.444 1.00 2.19 H new ATOM 0 HH TYR A 79 11.419 -7.558 -9.289 1.00 2.21 H new ATOM 1193 N GLY A 80 16.344 -0.612 -6.577 1.00 1.20 N ATOM 1194 CA GLY A 80 16.913 0.714 -6.404 1.00 1.36 C ATOM 1195 C GLY A 80 15.880 1.682 -5.824 1.00 1.46 C ATOM 1196 O GLY A 80 15.495 1.562 -4.663 1.00 2.60 O ATOM 0 H GLY A 80 15.602 -0.847 -5.918 1.00 1.20 H new ATOM 0 HA2 GLY A 80 17.777 0.659 -5.742 1.00 1.36 H new ATOM 0 HA3 GLY A 80 17.269 1.089 -7.363 1.00 1.36 H new ATOM 1200 N GLU A 81 15.461 2.621 -6.661 1.00 1.27 N ATOM 1201 CA GLU A 81 14.484 3.612 -6.245 1.00 1.24 C ATOM 1202 C GLU A 81 13.145 3.360 -6.943 1.00 1.12 C ATOM 1203 O GLU A 81 12.088 3.659 -6.390 1.00 1.21 O ATOM 1204 CB GLU A 81 14.988 5.029 -6.521 1.00 1.46 C ATOM 1205 CG GLU A 81 15.627 5.124 -7.908 1.00 2.97 C ATOM 1206 CD GLU A 81 15.601 6.564 -8.425 1.00 3.55 C ATOM 1207 OE1 GLU A 81 16.053 7.448 -7.666 1.00 3.15 O ATOM 1208 OE2 GLU A 81 15.131 6.748 -9.569 1.00 4.96 O ATOM 0 H GLU A 81 15.781 2.716 -7.625 1.00 1.27 H new ATOM 0 HA GLU A 81 14.335 3.519 -5.169 1.00 1.24 H new ATOM 0 HB2 GLU A 81 14.160 5.734 -6.449 1.00 1.46 H new ATOM 0 HB3 GLU A 81 15.716 5.314 -5.761 1.00 1.46 H new ATOM 0 HG2 GLU A 81 16.656 4.768 -7.863 1.00 2.97 H new ATOM 0 HG3 GLU A 81 15.095 4.474 -8.603 1.00 2.97 H new ATOM 1215 N LYS A 82 13.234 2.814 -8.146 1.00 1.06 N ATOM 1216 CA LYS A 82 12.047 2.580 -8.951 1.00 1.05 C ATOM 1217 C LYS A 82 12.397 1.637 -10.104 1.00 1.07 C ATOM 1218 O LYS A 82 13.569 1.344 -10.338 1.00 1.22 O ATOM 1219 CB LYS A 82 11.438 3.907 -9.405 1.00 1.13 C ATOM 1220 CG LYS A 82 12.528 4.945 -9.682 1.00 1.70 C ATOM 1221 CD LYS A 82 11.969 6.132 -10.468 1.00 2.20 C ATOM 1222 CE LYS A 82 12.545 6.173 -11.885 1.00 3.67 C ATOM 1223 NZ LYS A 82 13.924 6.711 -11.868 1.00 4.10 N ATOM 0 H LYS A 82 14.110 2.527 -8.583 1.00 1.06 H new ATOM 0 HA LYS A 82 11.275 2.088 -8.359 1.00 1.05 H new ATOM 0 HB2 LYS A 82 10.844 3.749 -10.305 1.00 1.13 H new ATOM 0 HB3 LYS A 82 10.761 4.282 -8.638 1.00 1.13 H new ATOM 0 HG2 LYS A 82 12.950 5.295 -8.740 1.00 1.70 H new ATOM 0 HG3 LYS A 82 13.340 4.483 -10.243 1.00 1.70 H new ATOM 0 HD2 LYS A 82 10.882 6.062 -10.515 1.00 2.20 H new ATOM 0 HD3 LYS A 82 12.206 7.060 -9.949 1.00 2.20 H new ATOM 0 HE2 LYS A 82 12.544 5.171 -12.313 1.00 3.67 H new ATOM 0 HE3 LYS A 82 11.914 6.792 -12.523 1.00 3.67 H new ATOM 0 HZ1 LYS A 82 13.976 7.551 -12.479 1.00 4.10 H new ATOM 0 HZ2 LYS A 82 14.182 6.974 -10.895 1.00 4.10 H new ATOM 0 HZ3 LYS A 82 14.583 5.987 -12.218 1.00 4.10 H new ATOM 1237 N PHE A 83 11.359 1.187 -10.794 1.00 1.13 N ATOM 1238 CA PHE A 83 11.542 0.294 -11.925 1.00 1.34 C ATOM 1239 C PHE A 83 10.352 0.372 -12.883 1.00 1.25 C ATOM 1240 O PHE A 83 9.430 1.157 -12.672 1.00 1.19 O ATOM 1241 CB PHE A 83 11.638 -1.126 -11.363 1.00 1.72 C ATOM 1242 CG PHE A 83 10.373 -1.595 -10.641 1.00 1.27 C ATOM 1243 CD1 PHE A 83 10.142 -1.212 -9.356 1.00 1.88 C ATOM 1244 CD2 PHE A 83 9.480 -2.395 -11.283 1.00 1.96 C ATOM 1245 CE1 PHE A 83 8.969 -1.648 -8.685 1.00 2.23 C ATOM 1246 CE2 PHE A 83 8.306 -2.830 -10.612 1.00 1.87 C ATOM 1247 CZ PHE A 83 8.075 -2.448 -9.327 1.00 1.64 C ATOM 0 H PHE A 83 10.388 1.425 -10.591 1.00 1.13 H new ATOM 0 HA PHE A 83 12.438 0.573 -12.479 1.00 1.34 H new ATOM 0 HB2 PHE A 83 11.855 -1.815 -12.179 1.00 1.72 H new ATOM 0 HB3 PHE A 83 12.479 -1.176 -10.671 1.00 1.72 H new ATOM 0 HD1 PHE A 83 10.851 -0.576 -8.846 1.00 1.88 H new ATOM 0 HD2 PHE A 83 9.663 -2.700 -12.303 1.00 1.96 H new ATOM 0 HE1 PHE A 83 8.786 -1.345 -7.665 1.00 2.23 H new ATOM 0 HE2 PHE A 83 7.596 -3.464 -11.122 1.00 1.87 H new ATOM 0 HZ PHE A 83 7.183 -2.779 -8.817 1.00 1.64 H new ATOM 1257 N GLU A 84 10.412 -0.454 -13.918 1.00 1.32 N ATOM 1258 CA GLU A 84 9.435 -0.380 -14.992 1.00 1.32 C ATOM 1259 C GLU A 84 8.027 -0.634 -14.447 1.00 1.09 C ATOM 1260 O GLU A 84 7.860 -0.935 -13.266 1.00 1.00 O ATOM 1261 CB GLU A 84 9.777 -1.366 -16.112 1.00 1.52 C ATOM 1262 CG GLU A 84 9.668 -2.812 -15.622 1.00 2.72 C ATOM 1263 CD GLU A 84 11.048 -3.382 -15.290 1.00 3.28 C ATOM 1264 OE1 GLU A 84 11.550 -3.053 -14.194 1.00 4.12 O ATOM 1265 OE2 GLU A 84 11.570 -4.136 -16.140 1.00 3.85 O ATOM 0 H GLU A 84 11.121 -1.177 -14.036 1.00 1.32 H new ATOM 0 HA GLU A 84 9.463 0.624 -15.415 1.00 1.32 H new ATOM 0 HB2 GLU A 84 9.103 -1.212 -16.955 1.00 1.52 H new ATOM 0 HB3 GLU A 84 10.788 -1.176 -16.473 1.00 1.52 H new ATOM 0 HG2 GLU A 84 9.031 -2.854 -14.739 1.00 2.72 H new ATOM 0 HG3 GLU A 84 9.192 -3.425 -16.388 1.00 2.72 H new ATOM 1272 N ASP A 85 7.053 -0.505 -15.335 1.00 1.20 N ATOM 1273 CA ASP A 85 5.667 -0.731 -14.962 1.00 1.06 C ATOM 1274 C ASP A 85 5.069 -1.811 -15.866 1.00 1.07 C ATOM 1275 O ASP A 85 5.317 -1.824 -17.070 1.00 1.96 O ATOM 1276 CB ASP A 85 4.836 0.542 -15.134 1.00 1.13 C ATOM 1277 CG ASP A 85 3.408 0.460 -14.592 1.00 1.81 C ATOM 1278 OD1 ASP A 85 3.245 0.709 -13.378 1.00 2.71 O ATOM 1279 OD2 ASP A 85 2.509 0.150 -15.404 1.00 2.94 O ATOM 0 H ASP A 85 7.196 -0.247 -16.311 1.00 1.20 H new ATOM 0 HA ASP A 85 5.645 -1.038 -13.916 1.00 1.06 H new ATOM 0 HB2 ASP A 85 5.351 1.364 -14.636 1.00 1.13 H new ATOM 0 HB3 ASP A 85 4.792 0.789 -16.195 1.00 1.13 H new ATOM 1284 N GLU A 86 4.294 -2.690 -15.250 1.00 0.76 N ATOM 1285 CA GLU A 86 3.706 -3.805 -15.973 1.00 0.78 C ATOM 1286 C GLU A 86 2.655 -3.301 -16.964 1.00 0.74 C ATOM 1287 O GLU A 86 2.996 -2.716 -17.991 1.00 1.13 O ATOM 1288 CB GLU A 86 3.102 -4.827 -15.008 1.00 0.90 C ATOM 1289 CG GLU A 86 2.316 -4.133 -13.894 1.00 2.82 C ATOM 1290 CD GLU A 86 3.098 -4.151 -12.578 1.00 3.84 C ATOM 1291 OE1 GLU A 86 4.135 -3.456 -12.524 1.00 4.53 O ATOM 1292 OE2 GLU A 86 2.641 -4.861 -11.656 1.00 4.88 O ATOM 0 H GLU A 86 4.059 -2.653 -14.258 1.00 0.76 H new ATOM 0 HA GLU A 86 4.496 -4.305 -16.534 1.00 0.78 H new ATOM 0 HB2 GLU A 86 2.445 -5.504 -15.554 1.00 0.90 H new ATOM 0 HB3 GLU A 86 3.895 -5.435 -14.573 1.00 0.90 H new ATOM 0 HG2 GLU A 86 2.104 -3.103 -14.181 1.00 2.82 H new ATOM 0 HG3 GLU A 86 1.356 -4.630 -13.757 1.00 2.82 H new ATOM 1299 N ASN A 87 1.399 -3.545 -16.621 1.00 0.75 N ATOM 1300 CA ASN A 87 0.299 -3.181 -17.500 1.00 0.66 C ATOM 1301 C ASN A 87 -0.952 -2.917 -16.660 1.00 0.68 C ATOM 1302 O ASN A 87 -0.985 -3.232 -15.472 1.00 0.94 O ATOM 1303 CB ASN A 87 -0.020 -4.312 -18.479 1.00 0.77 C ATOM 1304 CG ASN A 87 0.545 -5.645 -17.982 1.00 1.18 C ATOM 1305 OD1 ASN A 87 1.430 -6.236 -18.581 1.00 2.81 O ATOM 1306 ND2 ASN A 87 -0.013 -6.083 -16.858 1.00 1.13 N ATOM 0 H ASN A 87 1.118 -3.990 -15.747 1.00 0.75 H new ATOM 0 HA ASN A 87 0.593 -2.292 -18.058 1.00 0.66 H new ATOM 0 HB2 ASN A 87 -1.100 -4.395 -18.605 1.00 0.77 H new ATOM 0 HB3 ASN A 87 0.398 -4.079 -19.458 1.00 0.77 H new ATOM 0 HD21 ASN A 87 0.295 -6.963 -16.445 1.00 1.13 H new ATOM 0 HD22 ASN A 87 -0.749 -5.539 -16.408 1.00 1.13 H new ATOM 1313 N PHE A 88 -1.951 -2.340 -17.311 1.00 0.58 N ATOM 1314 CA PHE A 88 -3.201 -2.028 -16.639 1.00 0.58 C ATOM 1315 C PHE A 88 -4.276 -3.065 -16.971 1.00 0.60 C ATOM 1316 O PHE A 88 -5.418 -2.709 -17.263 1.00 0.67 O ATOM 1317 CB PHE A 88 -3.654 -0.660 -17.150 1.00 0.67 C ATOM 1318 CG PHE A 88 -2.638 0.461 -16.915 1.00 0.71 C ATOM 1319 CD1 PHE A 88 -2.383 0.893 -15.651 1.00 1.91 C ATOM 1320 CD2 PHE A 88 -1.991 1.024 -17.970 1.00 2.06 C ATOM 1321 CE1 PHE A 88 -1.440 1.932 -15.433 1.00 1.94 C ATOM 1322 CE2 PHE A 88 -1.047 2.063 -17.751 1.00 2.11 C ATOM 1323 CZ PHE A 88 -0.792 2.495 -16.487 1.00 0.90 C ATOM 0 H PHE A 88 -1.920 -2.080 -18.297 1.00 0.58 H new ATOM 0 HA PHE A 88 -3.053 -2.030 -15.559 1.00 0.58 H new ATOM 0 HB2 PHE A 88 -3.859 -0.732 -18.218 1.00 0.67 H new ATOM 0 HB3 PHE A 88 -4.592 -0.394 -16.663 1.00 0.67 H new ATOM 0 HD1 PHE A 88 -2.898 0.446 -14.813 1.00 1.91 H new ATOM 0 HD2 PHE A 88 -2.195 0.682 -18.974 1.00 2.06 H new ATOM 0 HE1 PHE A 88 -1.237 2.275 -14.429 1.00 1.94 H new ATOM 0 HE2 PHE A 88 -0.532 2.510 -18.589 1.00 2.11 H new ATOM 0 HZ PHE A 88 -0.075 3.285 -16.321 1.00 0.90 H new ATOM 1333 N ILE A 89 -3.874 -4.326 -16.916 1.00 0.59 N ATOM 1334 CA ILE A 89 -4.809 -5.418 -17.124 1.00 0.65 C ATOM 1335 C ILE A 89 -5.917 -5.343 -16.072 1.00 0.60 C ATOM 1336 O ILE A 89 -7.095 -5.491 -16.394 1.00 0.68 O ATOM 1337 CB ILE A 89 -4.070 -6.758 -17.144 1.00 0.75 C ATOM 1338 CG1 ILE A 89 -3.247 -6.911 -18.425 1.00 0.85 C ATOM 1339 CG2 ILE A 89 -5.042 -7.924 -16.945 1.00 0.87 C ATOM 1340 CD1 ILE A 89 -2.288 -8.098 -18.321 1.00 0.94 C ATOM 0 H ILE A 89 -2.914 -4.616 -16.730 1.00 0.59 H new ATOM 0 HA ILE A 89 -5.288 -5.329 -18.099 1.00 0.65 H new ATOM 0 HB ILE A 89 -3.371 -6.775 -16.308 1.00 0.75 H new ATOM 0 HG12 ILE A 89 -3.914 -7.051 -19.276 1.00 0.85 H new ATOM 0 HG13 ILE A 89 -2.682 -5.997 -18.610 1.00 0.85 H new ATOM 0 HG21 ILE A 89 -4.491 -8.864 -16.963 1.00 0.87 H new ATOM 0 HG22 ILE A 89 -5.546 -7.818 -15.984 1.00 0.87 H new ATOM 0 HG23 ILE A 89 -5.782 -7.921 -17.745 1.00 0.87 H new ATOM 0 HD11 ILE A 89 -1.715 -8.185 -19.244 1.00 0.94 H new ATOM 0 HD12 ILE A 89 -1.607 -7.943 -17.484 1.00 0.94 H new ATOM 0 HD13 ILE A 89 -2.858 -9.013 -18.160 1.00 0.94 H new ATOM 1352 N LEU A 90 -5.500 -5.115 -14.834 1.00 0.55 N ATOM 1353 CA LEU A 90 -6.441 -5.042 -13.730 1.00 0.51 C ATOM 1354 C LEU A 90 -7.000 -3.620 -13.634 1.00 0.52 C ATOM 1355 O LEU A 90 -6.457 -2.694 -14.236 1.00 0.71 O ATOM 1356 CB LEU A 90 -5.789 -5.534 -12.437 1.00 0.58 C ATOM 1357 CG LEU A 90 -5.508 -7.036 -12.357 1.00 0.90 C ATOM 1358 CD1 LEU A 90 -4.119 -7.364 -12.906 1.00 1.16 C ATOM 1359 CD2 LEU A 90 -5.698 -7.554 -10.930 1.00 2.48 C ATOM 0 H LEU A 90 -4.524 -4.979 -14.572 1.00 0.55 H new ATOM 0 HA LEU A 90 -7.287 -5.706 -13.907 1.00 0.51 H new ATOM 0 HB2 LEU A 90 -4.848 -5.001 -12.302 1.00 0.58 H new ATOM 0 HB3 LEU A 90 -6.433 -5.260 -11.601 1.00 0.58 H new ATOM 0 HG LEU A 90 -6.233 -7.553 -12.986 1.00 0.90 H new ATOM 0 HD11 LEU A 90 -3.945 -8.438 -12.837 1.00 1.16 H new ATOM 0 HD12 LEU A 90 -4.057 -7.052 -13.949 1.00 1.16 H new ATOM 0 HD13 LEU A 90 -3.364 -6.836 -12.324 1.00 1.16 H new ATOM 0 HD21 LEU A 90 -5.492 -8.624 -10.901 1.00 2.48 H new ATOM 0 HD22 LEU A 90 -5.013 -7.034 -10.260 1.00 2.48 H new ATOM 0 HD23 LEU A 90 -6.724 -7.373 -10.611 1.00 2.48 H new ATOM 1371 N LYS A 91 -8.076 -3.491 -12.873 1.00 0.49 N ATOM 1372 CA LYS A 91 -8.798 -2.232 -12.806 1.00 0.53 C ATOM 1373 C LYS A 91 -9.058 -1.875 -11.341 1.00 0.53 C ATOM 1374 O LYS A 91 -8.685 -2.624 -10.440 1.00 0.48 O ATOM 1375 CB LYS A 91 -10.069 -2.298 -13.657 1.00 0.65 C ATOM 1376 CG LYS A 91 -9.745 -2.105 -15.140 1.00 1.13 C ATOM 1377 CD LYS A 91 -11.006 -2.233 -15.998 1.00 1.18 C ATOM 1378 CE LYS A 91 -11.836 -0.949 -15.947 1.00 1.95 C ATOM 1379 NZ LYS A 91 -11.261 0.076 -16.847 1.00 3.31 N ATOM 0 H LYS A 91 -8.466 -4.237 -12.297 1.00 0.49 H new ATOM 0 HA LYS A 91 -8.199 -1.426 -13.230 1.00 0.53 H new ATOM 0 HB2 LYS A 91 -10.560 -3.260 -13.510 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -10.770 -1.530 -13.331 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.295 -1.124 -15.293 1.00 1.13 H new ATOM 0 HG3 LYS A 91 -9.010 -2.846 -15.455 1.00 1.13 H new ATOM 0 HD2 LYS A 91 -10.728 -2.450 -17.029 1.00 1.18 H new ATOM 0 HD3 LYS A 91 -11.606 -3.072 -15.646 1.00 1.18 H new ATOM 0 HE2 LYS A 91 -12.864 -1.162 -16.239 1.00 1.95 H new ATOM 0 HE3 LYS A 91 -11.867 -0.569 -14.926 1.00 1.95 H new ATOM 0 HZ1 LYS A 91 -11.923 0.874 -16.932 1.00 3.31 H new ATOM 0 HZ2 LYS A 91 -10.359 0.414 -16.456 1.00 3.31 H new ATOM 0 HZ3 LYS A 91 -11.097 -0.339 -17.786 1.00 3.31 H new ATOM 1393 N HIS A 92 -9.697 -0.730 -11.149 1.00 0.63 N ATOM 1394 CA HIS A 92 -10.095 -0.310 -9.816 1.00 0.65 C ATOM 1395 C HIS A 92 -11.583 -0.604 -9.609 1.00 0.67 C ATOM 1396 O HIS A 92 -12.408 0.307 -9.629 1.00 0.86 O ATOM 1397 CB HIS A 92 -9.743 1.160 -9.581 1.00 0.67 C ATOM 1398 CG HIS A 92 -8.262 1.425 -9.461 1.00 0.76 C ATOM 1399 ND1 HIS A 92 -7.346 1.008 -10.411 1.00 1.33 N ATOM 1400 CD2 HIS A 92 -7.548 2.069 -8.493 1.00 2.14 C ATOM 1401 CE1 HIS A 92 -6.137 1.389 -10.022 1.00 0.96 C ATOM 1402 NE2 HIS A 92 -6.265 2.046 -8.834 1.00 1.66 N ATOM 0 H HIS A 92 -9.949 -0.080 -11.894 1.00 0.63 H new ATOM 0 HA HIS A 92 -9.540 -0.879 -9.070 1.00 0.65 H new ATOM 0 HB2 HIS A 92 -10.143 1.754 -10.403 1.00 0.67 H new ATOM 0 HB3 HIS A 92 -10.237 1.500 -8.671 1.00 0.67 H new ATOM 0 HD1 HIS A 92 -7.564 0.495 -11.265 1.00 1.33 H new ATOM 0 HD2 HIS A 92 -7.957 2.521 -7.601 1.00 2.14 H new ATOM 0 HE1 HIS A 92 -5.213 1.210 -10.553 1.00 0.96 H new ATOM 1410 N THR A 93 -11.879 -1.881 -9.415 1.00 0.61 N ATOM 1411 CA THR A 93 -13.260 -2.321 -9.312 1.00 0.65 C ATOM 1412 C THR A 93 -13.981 -1.561 -8.197 1.00 0.63 C ATOM 1413 O THR A 93 -15.168 -1.257 -8.315 1.00 0.72 O ATOM 1414 CB THR A 93 -13.259 -3.838 -9.112 1.00 0.68 C ATOM 1415 OG1 THR A 93 -12.691 -4.016 -7.817 1.00 0.61 O ATOM 1416 CG2 THR A 93 -12.282 -4.552 -10.048 1.00 0.99 C ATOM 0 H THR A 93 -11.186 -2.625 -9.326 1.00 0.61 H new ATOM 0 HA THR A 93 -13.815 -2.099 -10.224 1.00 0.65 H new ATOM 0 HB THR A 93 -14.265 -4.226 -9.273 1.00 0.68 H new ATOM 0 HG1 THR A 93 -12.654 -4.972 -7.605 1.00 0.61 H new ATOM 0 HG21 THR A 93 -12.321 -5.626 -9.864 1.00 0.99 H new ATOM 0 HG22 THR A 93 -12.557 -4.351 -11.083 1.00 0.99 H new ATOM 0 HG23 THR A 93 -11.271 -4.189 -9.864 1.00 0.99 H new ATOM 1424 N GLY A 94 -13.235 -1.276 -7.140 1.00 0.57 N ATOM 1425 CA GLY A 94 -13.795 -0.580 -5.995 1.00 0.56 C ATOM 1426 C GLY A 94 -12.868 -0.686 -4.782 1.00 0.56 C ATOM 1427 O GLY A 94 -11.649 -0.595 -4.918 1.00 0.56 O ATOM 0 H GLY A 94 -12.247 -1.515 -7.053 1.00 0.57 H new ATOM 0 HA2 GLY A 94 -13.954 0.469 -6.245 1.00 0.56 H new ATOM 0 HA3 GLY A 94 -14.770 -1.001 -5.750 1.00 0.56 H new ATOM 1431 N PRO A 95 -13.498 -0.881 -3.592 1.00 0.58 N ATOM 1432 CA PRO A 95 -12.745 -0.973 -2.354 1.00 0.61 C ATOM 1433 C PRO A 95 -12.037 -2.324 -2.240 1.00 0.66 C ATOM 1434 O PRO A 95 -12.464 -3.304 -2.847 1.00 0.78 O ATOM 1435 CB PRO A 95 -13.769 -0.744 -1.254 1.00 0.63 C ATOM 1436 CG PRO A 95 -15.127 -0.995 -1.889 1.00 0.64 C ATOM 1437 CD PRO A 95 -14.938 -1.020 -3.397 1.00 0.60 C ATOM 0 HA PRO A 95 -11.943 -0.237 -2.294 1.00 0.61 H new ATOM 0 HB2 PRO A 95 -13.599 -1.420 -0.416 1.00 0.63 H new ATOM 0 HB3 PRO A 95 -13.702 0.272 -0.864 1.00 0.63 H new ATOM 0 HG2 PRO A 95 -15.543 -1.940 -1.541 1.00 0.64 H new ATOM 0 HG3 PRO A 95 -15.832 -0.213 -1.605 1.00 0.64 H new ATOM 0 HD2 PRO A 95 -15.308 -1.951 -3.827 1.00 0.60 H new ATOM 0 HD3 PRO A 95 -15.483 -0.208 -3.878 1.00 0.60 H new ATOM 1445 N GLY A 96 -10.967 -2.333 -1.459 1.00 0.62 N ATOM 1446 CA GLY A 96 -10.258 -3.569 -1.174 1.00 0.64 C ATOM 1447 C GLY A 96 -9.174 -3.833 -2.221 1.00 0.75 C ATOM 1448 O GLY A 96 -8.589 -4.914 -2.255 1.00 1.19 O ATOM 0 H GLY A 96 -10.574 -1.504 -1.014 1.00 0.62 H new ATOM 0 HA2 GLY A 96 -9.806 -3.513 -0.184 1.00 0.64 H new ATOM 0 HA3 GLY A 96 -10.962 -4.401 -1.157 1.00 0.64 H new ATOM 1452 N ILE A 97 -8.939 -2.826 -3.050 1.00 0.53 N ATOM 1453 CA ILE A 97 -7.976 -2.955 -4.130 1.00 0.56 C ATOM 1454 C ILE A 97 -6.651 -2.318 -3.706 1.00 0.57 C ATOM 1455 O ILE A 97 -6.624 -1.174 -3.256 1.00 0.60 O ATOM 1456 CB ILE A 97 -8.547 -2.380 -5.428 1.00 0.60 C ATOM 1457 CG1 ILE A 97 -9.068 -3.494 -6.338 1.00 1.14 C ATOM 1458 CG2 ILE A 97 -7.518 -1.496 -6.136 1.00 0.98 C ATOM 1459 CD1 ILE A 97 -10.262 -4.208 -5.702 1.00 1.39 C ATOM 0 H ILE A 97 -9.399 -1.917 -2.995 1.00 0.53 H new ATOM 0 HA ILE A 97 -7.773 -4.006 -4.336 1.00 0.56 H new ATOM 0 HB ILE A 97 -9.397 -1.746 -5.176 1.00 0.60 H new ATOM 0 HG12 ILE A 97 -9.361 -3.075 -7.301 1.00 1.14 H new ATOM 0 HG13 ILE A 97 -8.271 -4.212 -6.532 1.00 1.14 H new ATOM 0 HG21 ILE A 97 -7.949 -1.100 -7.055 1.00 0.98 H new ATOM 0 HG22 ILE A 97 -7.237 -0.670 -5.482 1.00 0.98 H new ATOM 0 HG23 ILE A 97 -6.634 -2.087 -6.375 1.00 0.98 H new ATOM 0 HD11 ILE A 97 -10.613 -4.995 -6.369 1.00 1.39 H new ATOM 0 HD12 ILE A 97 -9.959 -4.647 -4.751 1.00 1.39 H new ATOM 0 HD13 ILE A 97 -11.066 -3.492 -5.532 1.00 1.39 H new ATOM 1471 N LEU A 98 -5.584 -3.086 -3.865 1.00 0.62 N ATOM 1472 CA LEU A 98 -4.256 -2.604 -3.525 1.00 0.68 C ATOM 1473 C LEU A 98 -3.585 -2.045 -4.781 1.00 0.64 C ATOM 1474 O LEU A 98 -3.023 -2.797 -5.576 1.00 0.79 O ATOM 1475 CB LEU A 98 -3.448 -3.704 -2.832 1.00 0.80 C ATOM 1476 CG LEU A 98 -2.198 -3.244 -2.080 1.00 0.99 C ATOM 1477 CD1 LEU A 98 -1.921 -4.144 -0.874 1.00 1.00 C ATOM 1478 CD2 LEU A 98 -0.993 -3.158 -3.020 1.00 2.09 C ATOM 0 H LEU A 98 -5.612 -4.040 -4.225 1.00 0.62 H new ATOM 0 HA LEU A 98 -4.319 -1.787 -2.806 1.00 0.68 H new ATOM 0 HB2 LEU A 98 -4.102 -4.220 -2.129 1.00 0.80 H new ATOM 0 HB3 LEU A 98 -3.148 -4.435 -3.583 1.00 0.80 H new ATOM 0 HG LEU A 98 -2.380 -2.240 -1.697 1.00 0.99 H new ATOM 0 HD11 LEU A 98 -1.027 -3.795 -0.357 1.00 1.00 H new ATOM 0 HD12 LEU A 98 -2.771 -4.110 -0.192 1.00 1.00 H new ATOM 0 HD13 LEU A 98 -1.768 -5.169 -1.212 1.00 1.00 H new ATOM 0 HD21 LEU A 98 -0.118 -2.829 -2.460 1.00 2.09 H new ATOM 0 HD22 LEU A 98 -0.799 -4.139 -3.453 1.00 2.09 H new ATOM 0 HD23 LEU A 98 -1.203 -2.445 -3.817 1.00 2.09 H new ATOM 1490 N SER A 99 -3.664 -0.730 -4.920 1.00 0.67 N ATOM 1491 CA SER A 99 -3.215 -0.078 -6.139 1.00 0.64 C ATOM 1492 C SER A 99 -1.797 0.463 -5.951 1.00 0.67 C ATOM 1493 O SER A 99 -1.295 0.524 -4.830 1.00 0.77 O ATOM 1494 CB SER A 99 -4.166 1.051 -6.541 1.00 0.72 C ATOM 1495 OG SER A 99 -3.986 2.212 -5.734 1.00 1.93 O ATOM 0 H SER A 99 -4.032 -0.098 -4.209 1.00 0.67 H new ATOM 0 HA SER A 99 -3.211 -0.816 -6.941 1.00 0.64 H new ATOM 0 HB2 SER A 99 -4.002 1.308 -7.588 1.00 0.72 H new ATOM 0 HB3 SER A 99 -5.196 0.705 -6.455 1.00 0.72 H new ATOM 0 HG SER A 99 -4.017 1.960 -4.787 1.00 1.93 H new ATOM 1501 N MET A 100 -1.191 0.844 -7.067 1.00 0.74 N ATOM 1502 CA MET A 100 0.182 1.316 -7.048 1.00 0.86 C ATOM 1503 C MET A 100 0.280 2.740 -7.601 1.00 1.05 C ATOM 1504 O MET A 100 0.088 2.960 -8.796 1.00 1.70 O ATOM 1505 CB MET A 100 1.055 0.381 -7.888 1.00 1.00 C ATOM 1506 CG MET A 100 1.320 -0.932 -7.149 1.00 1.44 C ATOM 1507 SD MET A 100 2.655 -0.718 -5.984 1.00 2.06 S ATOM 1508 CE MET A 100 4.052 -1.026 -7.052 1.00 1.32 C ATOM 0 H MET A 100 -1.626 0.835 -7.989 1.00 0.74 H new ATOM 0 HA MET A 100 0.530 1.322 -6.015 1.00 0.86 H new ATOM 0 HB2 MET A 100 0.563 0.175 -8.839 1.00 1.00 H new ATOM 0 HB3 MET A 100 2.001 0.870 -8.118 1.00 1.00 H new ATOM 0 HG2 MET A 100 0.419 -1.253 -6.627 1.00 1.44 H new ATOM 0 HG3 MET A 100 1.572 -1.716 -7.863 1.00 1.44 H new ATOM 0 HE1 MET A 100 4.884 -0.387 -6.756 1.00 1.32 H new ATOM 0 HE2 MET A 100 4.350 -2.071 -6.969 1.00 1.32 H new ATOM 0 HE3 MET A 100 3.776 -0.808 -8.084 1.00 1.32 H new ATOM 1518 N ALA A 101 0.578 3.669 -6.706 1.00 0.83 N ATOM 1519 CA ALA A 101 0.700 5.065 -7.088 1.00 0.95 C ATOM 1520 C ALA A 101 1.947 5.245 -7.956 1.00 1.07 C ATOM 1521 O ALA A 101 2.881 4.449 -7.879 1.00 1.56 O ATOM 1522 CB ALA A 101 0.735 5.938 -5.832 1.00 1.02 C ATOM 0 H ALA A 101 0.739 3.482 -5.716 1.00 0.83 H new ATOM 0 HA ALA A 101 -0.162 5.377 -7.678 1.00 0.95 H new ATOM 0 HB1 ALA A 101 0.827 6.985 -6.119 1.00 1.02 H new ATOM 0 HB2 ALA A 101 -0.185 5.796 -5.265 1.00 1.02 H new ATOM 0 HB3 ALA A 101 1.588 5.655 -5.216 1.00 1.02 H new ATOM 1528 N ASN A 102 1.921 6.295 -8.765 1.00 1.36 N ATOM 1529 CA ASN A 102 3.064 6.628 -9.597 1.00 1.39 C ATOM 1530 C ASN A 102 2.993 8.106 -9.987 1.00 1.35 C ATOM 1531 O ASN A 102 1.905 8.666 -10.112 1.00 1.35 O ATOM 1532 CB ASN A 102 3.069 5.799 -10.883 1.00 1.51 C ATOM 1533 CG ASN A 102 1.835 6.103 -11.736 1.00 2.49 C ATOM 1534 OD1 ASN A 102 1.758 7.105 -12.428 1.00 3.77 O ATOM 1535 ND2 ASN A 102 0.877 5.186 -11.646 1.00 2.82 N ATOM 0 H ASN A 102 1.125 6.926 -8.861 1.00 1.36 H new ATOM 0 HA ASN A 102 3.969 6.416 -9.027 1.00 1.39 H new ATOM 0 HB2 ASN A 102 3.972 6.013 -11.454 1.00 1.51 H new ATOM 0 HB3 ASN A 102 3.092 4.738 -10.636 1.00 1.51 H new ATOM 0 HD21 ASN A 102 0.012 5.298 -12.176 1.00 2.82 H new ATOM 0 HD22 ASN A 102 1.006 4.370 -11.047 1.00 2.82 H new ATOM 1542 N ALA A 103 4.166 8.694 -10.167 1.00 1.39 N ATOM 1543 CA ALA A 103 4.250 10.097 -10.535 1.00 1.41 C ATOM 1544 C ALA A 103 4.725 10.212 -11.985 1.00 1.42 C ATOM 1545 O ALA A 103 5.240 11.252 -12.393 1.00 1.60 O ATOM 1546 CB ALA A 103 5.175 10.827 -9.559 1.00 1.47 C ATOM 0 H ALA A 103 5.066 8.225 -10.065 1.00 1.39 H new ATOM 0 HA ALA A 103 3.270 10.570 -10.470 1.00 1.41 H new ATOM 0 HB1 ALA A 103 5.238 11.880 -9.835 1.00 1.47 H new ATOM 0 HB2 ALA A 103 4.778 10.740 -8.548 1.00 1.47 H new ATOM 0 HB3 ALA A 103 6.169 10.382 -9.598 1.00 1.47 H new ATOM 1552 N GLY A 104 4.537 9.128 -12.724 1.00 1.35 N ATOM 1553 CA GLY A 104 4.982 9.077 -14.106 1.00 1.40 C ATOM 1554 C GLY A 104 5.256 7.636 -14.541 1.00 1.36 C ATOM 1555 O GLY A 104 4.922 6.694 -13.825 1.00 1.33 O ATOM 0 H GLY A 104 4.082 8.278 -12.391 1.00 1.35 H new ATOM 0 HA2 GLY A 104 4.223 9.518 -14.753 1.00 1.40 H new ATOM 0 HA3 GLY A 104 5.886 9.674 -14.223 1.00 1.40 H new ATOM 1559 N PRO A 105 5.876 7.507 -15.745 1.00 1.43 N ATOM 1560 CA PRO A 105 6.202 6.197 -16.281 1.00 1.47 C ATOM 1561 C PRO A 105 7.407 5.592 -15.557 1.00 1.29 C ATOM 1562 O PRO A 105 8.244 6.319 -15.022 1.00 1.12 O ATOM 1563 CB PRO A 105 6.455 6.431 -17.761 1.00 1.71 C ATOM 1564 CG PRO A 105 6.717 7.921 -17.909 1.00 1.76 C ATOM 1565 CD PRO A 105 6.281 8.601 -16.622 1.00 1.57 C ATOM 0 HA PRO A 105 5.401 5.472 -16.136 1.00 1.47 H new ATOM 0 HB2 PRO A 105 7.308 5.848 -18.108 1.00 1.71 H new ATOM 0 HB3 PRO A 105 5.596 6.124 -18.357 1.00 1.71 H new ATOM 0 HG2 PRO A 105 7.774 8.106 -18.099 1.00 1.76 H new ATOM 0 HG3 PRO A 105 6.165 8.323 -18.759 1.00 1.76 H new ATOM 0 HD2 PRO A 105 7.095 9.179 -16.184 1.00 1.57 H new ATOM 0 HD3 PRO A 105 5.457 9.293 -16.799 1.00 1.57 H new ATOM 1573 N ASN A 106 7.457 4.268 -15.562 1.00 1.54 N ATOM 1574 CA ASN A 106 8.528 3.557 -14.886 1.00 1.40 C ATOM 1575 C ASN A 106 8.888 4.293 -13.595 1.00 1.26 C ATOM 1576 O ASN A 106 10.060 4.555 -13.331 1.00 1.20 O ATOM 1577 CB ASN A 106 9.783 3.493 -15.759 1.00 1.48 C ATOM 1578 CG ASN A 106 10.200 4.891 -16.223 1.00 2.65 C ATOM 1579 OD1 ASN A 106 9.740 5.221 -17.426 1.00 4.22 O flip ATOM 1580 ND2 ASN A 106 10.893 5.620 -15.534 1.00 3.22 N flip ATOM 0 H ASN A 106 6.773 3.669 -16.024 1.00 1.54 H new ATOM 0 HA ASN A 106 8.181 2.545 -14.677 1.00 1.40 H new ATOM 0 HB2 ASN A 106 10.597 3.034 -15.198 1.00 1.48 H new ATOM 0 HB3 ASN A 106 9.596 2.859 -16.626 1.00 1.48 H new ATOM 0 HD21 ASN A 106 11.213 5.304 -14.618 1.00 3.22 H new ATOM 0 HD22 ASN A 106 11.153 6.546 -15.873 1.00 3.22 H new ATOM 1587 N THR A 107 7.857 4.607 -12.823 1.00 1.36 N ATOM 1588 CA THR A 107 8.055 5.247 -11.534 1.00 1.38 C ATOM 1589 C THR A 107 7.124 4.634 -10.485 1.00 1.60 C ATOM 1590 O THR A 107 6.039 5.155 -10.232 1.00 2.75 O ATOM 1591 CB THR A 107 7.854 6.753 -11.717 1.00 1.39 C ATOM 1592 OG1 THR A 107 8.986 7.163 -12.479 1.00 2.46 O ATOM 1593 CG2 THR A 107 7.987 7.526 -10.404 1.00 1.56 C ATOM 0 H THR A 107 6.882 4.430 -13.066 1.00 1.36 H new ATOM 0 HA THR A 107 9.066 5.082 -11.163 1.00 1.38 H new ATOM 0 HB THR A 107 6.870 6.939 -12.148 1.00 1.39 H new ATOM 0 HG1 THR A 107 8.833 6.962 -13.426 1.00 2.46 H new ATOM 0 HG21 THR A 107 7.835 8.589 -10.591 1.00 1.56 H new ATOM 0 HG22 THR A 107 7.238 7.172 -9.696 1.00 1.56 H new ATOM 0 HG23 THR A 107 8.982 7.369 -9.989 1.00 1.56 H new ATOM 1601 N ASN A 108 7.582 3.535 -9.905 1.00 1.21 N ATOM 1602 CA ASN A 108 6.842 2.889 -8.833 1.00 1.29 C ATOM 1603 C ASN A 108 7.803 2.049 -7.989 1.00 1.37 C ATOM 1604 O ASN A 108 8.784 1.514 -8.505 1.00 1.55 O ATOM 1605 CB ASN A 108 5.764 1.958 -9.391 1.00 1.60 C ATOM 1606 CG ASN A 108 6.392 0.779 -10.138 1.00 2.81 C ATOM 1607 OD1 ASN A 108 6.970 1.113 -11.288 1.00 3.99 O flip ATOM 1608 ND2 ASN A 108 6.353 -0.359 -9.699 1.00 3.76 N flip ATOM 0 H ASN A 108 8.457 3.075 -10.157 1.00 1.21 H new ATOM 0 HA ASN A 108 6.370 3.667 -8.233 1.00 1.29 H new ATOM 0 HB2 ASN A 108 5.141 1.587 -8.577 1.00 1.60 H new ATOM 0 HB3 ASN A 108 5.111 2.514 -10.064 1.00 1.60 H new ATOM 0 HD21 ASN A 108 5.893 -0.547 -8.808 1.00 3.76 H new ATOM 0 HD22 ASN A 108 6.781 -1.123 -10.223 1.00 3.76 H new ATOM 1615 N GLY A 109 7.488 1.959 -6.706 1.00 1.59 N ATOM 1616 CA GLY A 109 8.367 1.285 -5.765 1.00 1.82 C ATOM 1617 C GLY A 109 7.566 0.633 -4.636 1.00 1.69 C ATOM 1618 O GLY A 109 6.616 -0.105 -4.891 1.00 3.01 O ATOM 0 H GLY A 109 6.636 2.341 -6.295 1.00 1.59 H new ATOM 0 HA2 GLY A 109 8.951 0.526 -6.287 1.00 1.82 H new ATOM 0 HA3 GLY A 109 9.075 2.000 -5.347 1.00 1.82 H new ATOM 1622 N SER A 110 7.979 0.932 -3.412 1.00 1.48 N ATOM 1623 CA SER A 110 7.381 0.302 -2.247 1.00 1.63 C ATOM 1624 C SER A 110 5.979 0.865 -2.010 1.00 1.39 C ATOM 1625 O SER A 110 5.102 0.165 -1.505 1.00 2.22 O ATOM 1626 CB SER A 110 8.251 0.504 -1.005 1.00 2.06 C ATOM 1627 OG SER A 110 9.534 -0.097 -1.149 1.00 2.99 O ATOM 0 H SER A 110 8.720 1.601 -3.203 1.00 1.48 H new ATOM 0 HA SER A 110 7.308 -0.769 -2.436 1.00 1.63 H new ATOM 0 HB2 SER A 110 8.370 1.571 -0.815 1.00 2.06 H new ATOM 0 HB3 SER A 110 7.747 0.080 -0.137 1.00 2.06 H new ATOM 0 HG SER A 110 9.971 0.254 -1.953 1.00 2.99 H new ATOM 1633 N GLN A 111 5.810 2.124 -2.386 1.00 1.08 N ATOM 1634 CA GLN A 111 4.549 2.811 -2.157 1.00 1.21 C ATOM 1635 C GLN A 111 3.381 1.955 -2.652 1.00 1.24 C ATOM 1636 O GLN A 111 3.456 1.355 -3.722 1.00 2.10 O ATOM 1637 CB GLN A 111 4.544 4.186 -2.827 1.00 1.61 C ATOM 1638 CG GLN A 111 4.864 4.070 -4.319 1.00 3.24 C ATOM 1639 CD GLN A 111 6.345 4.344 -4.586 1.00 4.00 C ATOM 1640 OE1 GLN A 111 7.203 4.138 -3.743 1.00 4.20 O ATOM 1641 NE2 GLN A 111 6.597 4.817 -5.803 1.00 5.37 N ATOM 0 H GLN A 111 6.525 2.687 -2.848 1.00 1.08 H new ATOM 0 HA GLN A 111 4.431 2.966 -1.084 1.00 1.21 H new ATOM 0 HB2 GLN A 111 3.569 4.655 -2.696 1.00 1.61 H new ATOM 0 HB3 GLN A 111 5.276 4.833 -2.344 1.00 1.61 H new ATOM 0 HG2 GLN A 111 4.606 3.072 -4.673 1.00 3.24 H new ATOM 0 HG3 GLN A 111 4.253 4.776 -4.881 1.00 3.24 H new ATOM 0 HE21 GLN A 111 5.832 4.966 -6.461 1.00 5.37 H new ATOM 0 HE22 GLN A 111 7.556 5.030 -6.079 1.00 5.37 H new ATOM 1650 N PHE A 112 2.328 1.929 -1.849 1.00 0.89 N ATOM 1651 CA PHE A 112 1.081 1.312 -2.269 1.00 0.78 C ATOM 1652 C PHE A 112 -0.123 2.044 -1.672 1.00 0.80 C ATOM 1653 O PHE A 112 0.011 2.756 -0.678 1.00 1.05 O ATOM 1654 CB PHE A 112 1.096 -0.128 -1.751 1.00 0.95 C ATOM 1655 CG PHE A 112 1.202 -0.239 -0.229 1.00 1.38 C ATOM 1656 CD1 PHE A 112 0.087 -0.115 0.541 1.00 2.77 C ATOM 1657 CD2 PHE A 112 2.409 -0.462 0.355 1.00 2.26 C ATOM 1658 CE1 PHE A 112 0.185 -0.219 1.954 1.00 3.47 C ATOM 1659 CE2 PHE A 112 2.507 -0.566 1.768 1.00 2.64 C ATOM 1660 CZ PHE A 112 1.392 -0.442 2.537 1.00 2.84 C ATOM 0 H PHE A 112 2.312 2.325 -0.909 1.00 0.89 H new ATOM 0 HA PHE A 112 0.994 1.353 -3.355 1.00 0.78 H new ATOM 0 HB2 PHE A 112 0.187 -0.631 -2.080 1.00 0.95 H new ATOM 0 HB3 PHE A 112 1.935 -0.658 -2.203 1.00 0.95 H new ATOM 0 HD1 PHE A 112 -0.872 0.062 0.078 1.00 2.77 H new ATOM 0 HD2 PHE A 112 3.294 -0.560 -0.256 1.00 2.26 H new ATOM 0 HE1 PHE A 112 -0.700 -0.121 2.565 1.00 3.47 H new ATOM 0 HE2 PHE A 112 3.466 -0.743 2.232 1.00 2.64 H new ATOM 0 HZ PHE A 112 1.466 -0.521 3.612 1.00 2.84 H new ATOM 1670 N PHE A 113 -1.269 1.844 -2.304 1.00 0.78 N ATOM 1671 CA PHE A 113 -2.469 2.572 -1.924 1.00 0.97 C ATOM 1672 C PHE A 113 -3.692 1.652 -1.929 1.00 0.90 C ATOM 1673 O PHE A 113 -4.157 1.237 -2.989 1.00 1.51 O ATOM 1674 CB PHE A 113 -2.672 3.675 -2.964 1.00 1.34 C ATOM 1675 CG PHE A 113 -1.895 4.959 -2.668 1.00 1.89 C ATOM 1676 CD1 PHE A 113 -0.545 4.989 -2.823 1.00 2.86 C ATOM 1677 CD2 PHE A 113 -2.556 6.072 -2.248 1.00 2.98 C ATOM 1678 CE1 PHE A 113 0.176 6.181 -2.548 1.00 4.24 C ATOM 1679 CE2 PHE A 113 -1.835 7.264 -1.972 1.00 4.31 C ATOM 1680 CZ PHE A 113 -0.484 7.293 -2.128 1.00 4.75 C ATOM 0 H PHE A 113 -1.393 1.189 -3.076 1.00 0.78 H new ATOM 0 HA PHE A 113 -2.356 2.977 -0.919 1.00 0.97 H new ATOM 0 HB2 PHE A 113 -2.372 3.298 -3.942 1.00 1.34 H new ATOM 0 HB3 PHE A 113 -3.734 3.911 -3.026 1.00 1.34 H new ATOM 0 HD1 PHE A 113 -0.020 4.106 -3.156 1.00 2.86 H new ATOM 0 HD2 PHE A 113 -3.629 6.049 -2.125 1.00 2.98 H new ATOM 0 HE1 PHE A 113 1.249 6.204 -2.672 1.00 4.24 H new ATOM 0 HE2 PHE A 113 -2.359 8.147 -1.638 1.00 4.31 H new ATOM 0 HZ PHE A 113 0.064 8.199 -1.918 1.00 4.75 H new ATOM 1690 N ILE A 114 -4.178 1.359 -0.732 1.00 0.74 N ATOM 1691 CA ILE A 114 -5.342 0.503 -0.584 1.00 0.66 C ATOM 1692 C ILE A 114 -6.610 1.353 -0.683 1.00 0.64 C ATOM 1693 O ILE A 114 -6.876 2.181 0.188 1.00 1.03 O ATOM 1694 CB ILE A 114 -5.247 -0.314 0.705 1.00 0.78 C ATOM 1695 CG1 ILE A 114 -3.999 -1.199 0.703 1.00 0.94 C ATOM 1696 CG2 ILE A 114 -6.524 -1.126 0.935 1.00 0.86 C ATOM 1697 CD1 ILE A 114 -3.467 -1.398 2.124 1.00 1.08 C ATOM 0 H ILE A 114 -3.786 1.700 0.146 1.00 0.74 H new ATOM 0 HA ILE A 114 -5.383 -0.227 -1.392 1.00 0.66 H new ATOM 0 HB ILE A 114 -5.150 0.378 1.541 1.00 0.78 H new ATOM 0 HG12 ILE A 114 -4.235 -2.167 0.260 1.00 0.94 H new ATOM 0 HG13 ILE A 114 -3.227 -0.744 0.082 1.00 0.94 H new ATOM 0 HG21 ILE A 114 -6.430 -1.698 1.858 1.00 0.86 H new ATOM 0 HG22 ILE A 114 -7.376 -0.450 1.012 1.00 0.86 H new ATOM 0 HG23 ILE A 114 -6.677 -1.809 0.099 1.00 0.86 H new ATOM 0 HD11 ILE A 114 -2.580 -2.031 2.095 1.00 1.08 H new ATOM 0 HD12 ILE A 114 -3.209 -0.431 2.555 1.00 1.08 H new ATOM 0 HD13 ILE A 114 -4.233 -1.875 2.736 1.00 1.08 H new ATOM 1709 N CYS A 115 -7.361 1.119 -1.749 1.00 0.52 N ATOM 1710 CA CYS A 115 -8.559 1.899 -2.007 1.00 0.57 C ATOM 1711 C CYS A 115 -9.666 1.403 -1.075 1.00 0.68 C ATOM 1712 O CYS A 115 -9.884 0.197 -0.952 1.00 0.94 O ATOM 1713 CB CYS A 115 -8.976 1.826 -3.478 1.00 0.68 C ATOM 1714 SG CYS A 115 -7.679 2.571 -4.532 1.00 1.43 S ATOM 0 H CYS A 115 -7.163 0.400 -2.444 1.00 0.52 H new ATOM 0 HA CYS A 115 -8.361 2.952 -1.805 1.00 0.57 H new ATOM 0 HB2 CYS A 115 -9.140 0.788 -3.767 1.00 0.68 H new ATOM 0 HB3 CYS A 115 -9.920 2.350 -3.624 1.00 0.68 H new ATOM 0 HG CYS A 115 -8.229 3.123 -5.572 1.00 1.43 H new ATOM 1720 N THR A 116 -10.336 2.354 -0.443 1.00 0.61 N ATOM 1721 CA THR A 116 -11.425 2.029 0.463 1.00 0.74 C ATOM 1722 C THR A 116 -12.771 2.371 -0.177 1.00 0.58 C ATOM 1723 O THR A 116 -13.795 2.406 0.503 1.00 0.63 O ATOM 1724 CB THR A 116 -11.176 2.762 1.783 1.00 0.96 C ATOM 1725 OG1 THR A 116 -10.772 4.069 1.383 1.00 2.50 O ATOM 1726 CG2 THR A 116 -9.964 2.213 2.539 1.00 2.23 C ATOM 0 H THR A 116 -10.146 3.351 -0.540 1.00 0.61 H new ATOM 0 HA THR A 116 -11.462 0.959 0.670 1.00 0.74 H new ATOM 0 HB THR A 116 -12.062 2.685 2.413 1.00 0.96 H new ATOM 0 HG1 THR A 116 -10.830 4.678 2.149 1.00 2.50 H new ATOM 0 HG21 THR A 116 -9.832 2.768 3.468 1.00 2.23 H new ATOM 0 HG22 THR A 116 -10.124 1.159 2.766 1.00 2.23 H new ATOM 0 HG23 THR A 116 -9.071 2.320 1.923 1.00 2.23 H new ATOM 1734 N ALA A 117 -12.727 2.613 -1.479 1.00 0.58 N ATOM 1735 CA ALA A 117 -13.892 3.115 -2.187 1.00 0.56 C ATOM 1736 C ALA A 117 -13.587 3.177 -3.684 1.00 0.64 C ATOM 1737 O ALA A 117 -12.456 2.931 -4.102 1.00 0.74 O ATOM 1738 CB ALA A 117 -14.288 4.479 -1.616 1.00 0.65 C ATOM 0 H ALA A 117 -11.902 2.471 -2.062 1.00 0.58 H new ATOM 0 HA ALA A 117 -14.741 2.445 -2.051 1.00 0.56 H new ATOM 0 HB1 ALA A 117 -15.162 4.856 -2.147 1.00 0.65 H new ATOM 0 HB2 ALA A 117 -14.524 4.376 -0.557 1.00 0.65 H new ATOM 0 HB3 ALA A 117 -13.461 5.178 -1.737 1.00 0.65 H new ATOM 1744 N LYS A 118 -14.615 3.508 -4.453 1.00 0.66 N ATOM 1745 CA LYS A 118 -14.479 3.570 -5.898 1.00 0.77 C ATOM 1746 C LYS A 118 -13.433 4.624 -6.264 1.00 0.84 C ATOM 1747 O LYS A 118 -13.511 5.764 -5.809 1.00 1.42 O ATOM 1748 CB LYS A 118 -15.842 3.800 -6.555 1.00 1.06 C ATOM 1749 CG LYS A 118 -15.698 3.992 -8.065 1.00 1.50 C ATOM 1750 CD LYS A 118 -17.068 4.077 -8.741 1.00 1.91 C ATOM 1751 CE LYS A 118 -17.475 2.722 -9.325 1.00 2.02 C ATOM 1752 NZ LYS A 118 -16.789 2.485 -10.614 1.00 2.84 N ATOM 0 H LYS A 118 -15.545 3.736 -4.102 1.00 0.66 H new ATOM 0 HA LYS A 118 -14.120 2.617 -6.288 1.00 0.77 H new ATOM 0 HB2 LYS A 118 -16.495 2.950 -6.354 1.00 1.06 H new ATOM 0 HB3 LYS A 118 -16.317 4.678 -6.117 1.00 1.06 H new ATOM 0 HG2 LYS A 118 -15.132 4.901 -8.267 1.00 1.50 H new ATOM 0 HG3 LYS A 118 -15.131 3.163 -8.488 1.00 1.50 H new ATOM 0 HD2 LYS A 118 -17.815 4.405 -8.018 1.00 1.91 H new ATOM 0 HD3 LYS A 118 -17.041 4.825 -9.533 1.00 1.91 H new ATOM 0 HE2 LYS A 118 -17.226 1.927 -8.622 1.00 2.02 H new ATOM 0 HE3 LYS A 118 -18.555 2.692 -9.470 1.00 2.02 H new ATOM 0 HZ1 LYS A 118 -17.199 1.649 -11.077 1.00 2.84 H new ATOM 0 HZ2 LYS A 118 -16.909 3.315 -11.229 1.00 2.84 H new ATOM 0 HZ3 LYS A 118 -15.776 2.324 -10.444 1.00 2.84 H new ATOM 1766 N THR A 119 -12.479 4.206 -7.083 1.00 0.57 N ATOM 1767 CA THR A 119 -11.453 5.115 -7.562 1.00 0.65 C ATOM 1768 C THR A 119 -11.281 4.977 -9.076 1.00 0.59 C ATOM 1769 O THR A 119 -10.196 4.654 -9.554 1.00 0.75 O ATOM 1770 CB THR A 119 -10.170 4.836 -6.777 1.00 0.85 C ATOM 1771 OG1 THR A 119 -10.250 3.448 -6.464 1.00 0.91 O ATOM 1772 CG2 THR A 119 -10.156 5.526 -5.412 1.00 0.97 C ATOM 0 H THR A 119 -12.395 3.249 -7.427 1.00 0.57 H new ATOM 0 HA THR A 119 -11.736 6.154 -7.393 1.00 0.65 H new ATOM 0 HB THR A 119 -9.310 5.167 -7.359 1.00 0.85 H new ATOM 0 HG1 THR A 119 -10.401 3.338 -5.502 1.00 0.91 H new ATOM 0 HG21 THR A 119 -9.224 5.295 -4.897 1.00 0.97 H new ATOM 0 HG22 THR A 119 -10.237 6.604 -5.549 1.00 0.97 H new ATOM 0 HG23 THR A 119 -10.997 5.171 -4.816 1.00 0.97 H new ATOM 1780 N GLU A 120 -12.370 5.228 -9.788 1.00 0.59 N ATOM 1781 CA GLU A 120 -12.415 4.944 -11.212 1.00 0.65 C ATOM 1782 C GLU A 120 -11.702 6.047 -11.997 1.00 0.61 C ATOM 1783 O GLU A 120 -11.410 5.882 -13.180 1.00 0.66 O ATOM 1784 CB GLU A 120 -13.858 4.775 -11.692 1.00 0.93 C ATOM 1785 CG GLU A 120 -14.578 6.125 -11.747 1.00 1.64 C ATOM 1786 CD GLU A 120 -16.091 5.933 -11.884 1.00 2.08 C ATOM 1787 OE1 GLU A 120 -16.502 4.764 -12.050 1.00 2.54 O ATOM 1788 OE2 GLU A 120 -16.800 6.960 -11.821 1.00 3.02 O ATOM 0 H GLU A 120 -13.228 5.625 -9.405 1.00 0.59 H new ATOM 0 HA GLU A 120 -11.894 4.003 -11.391 1.00 0.65 H new ATOM 0 HB2 GLU A 120 -13.865 4.314 -12.680 1.00 0.93 H new ATOM 0 HB3 GLU A 120 -14.392 4.101 -11.022 1.00 0.93 H new ATOM 0 HG2 GLU A 120 -14.360 6.695 -10.844 1.00 1.64 H new ATOM 0 HG3 GLU A 120 -14.204 6.707 -12.589 1.00 1.64 H new ATOM 1795 N TRP A 121 -11.440 7.147 -11.305 1.00 0.65 N ATOM 1796 CA TRP A 121 -10.729 8.260 -11.911 1.00 0.75 C ATOM 1797 C TRP A 121 -9.229 8.001 -11.759 1.00 0.70 C ATOM 1798 O TRP A 121 -8.410 8.806 -12.200 1.00 0.83 O ATOM 1799 CB TRP A 121 -11.172 9.590 -11.299 1.00 0.84 C ATOM 1800 CG TRP A 121 -10.539 9.892 -9.940 1.00 0.72 C ATOM 1801 CD1 TRP A 121 -9.385 10.525 -9.690 1.00 0.76 C ATOM 1802 CD2 TRP A 121 -11.076 9.545 -8.646 1.00 0.64 C ATOM 1803 NE1 TRP A 121 -9.139 10.611 -8.334 1.00 0.70 N ATOM 1804 CE2 TRP A 121 -10.199 9.996 -7.679 1.00 0.62 C ATOM 1805 CE3 TRP A 121 -12.262 8.872 -8.303 1.00 0.73 C ATOM 1806 CZ2 TRP A 121 -10.417 9.824 -6.307 1.00 0.65 C ATOM 1807 CZ3 TRP A 121 -12.464 8.708 -6.927 1.00 0.78 C ATOM 1808 CH2 TRP A 121 -11.593 9.156 -5.942 1.00 0.74 C ATOM 0 H TRP A 121 -11.707 7.291 -10.331 1.00 0.65 H new ATOM 0 HA TRP A 121 -10.963 8.336 -12.973 1.00 0.75 H new ATOM 0 HB2 TRP A 121 -10.925 10.396 -11.990 1.00 0.84 H new ATOM 0 HB3 TRP A 121 -12.256 9.584 -11.190 1.00 0.84 H new ATOM 0 HD1 TRP A 121 -8.730 10.918 -10.453 1.00 0.76 H new ATOM 0 HE1 TRP A 121 -8.328 11.046 -7.894 1.00 0.70 H new ATOM 0 HE3 TRP A 121 -12.962 8.510 -9.042 1.00 0.73 H new ATOM 0 HZ2 TRP A 121 -9.716 10.187 -5.570 1.00 0.65 H new ATOM 0 HZ3 TRP A 121 -13.361 8.197 -6.609 1.00 0.78 H new ATOM 0 HH2 TRP A 121 -11.821 8.990 -4.900 1.00 0.74 H new ATOM 1819 N LEU A 122 -8.916 6.876 -11.133 1.00 0.59 N ATOM 1820 CA LEU A 122 -7.530 6.461 -10.992 1.00 0.63 C ATOM 1821 C LEU A 122 -7.344 5.090 -11.647 1.00 0.62 C ATOM 1822 O LEU A 122 -6.324 4.436 -11.446 1.00 0.78 O ATOM 1823 CB LEU A 122 -7.106 6.503 -9.523 1.00 0.68 C ATOM 1824 CG LEU A 122 -7.340 7.827 -8.794 1.00 0.80 C ATOM 1825 CD1 LEU A 122 -7.180 7.657 -7.282 1.00 0.92 C ATOM 1826 CD2 LEU A 122 -6.428 8.925 -9.346 1.00 0.92 C ATOM 0 H LEU A 122 -9.597 6.240 -10.718 1.00 0.59 H new ATOM 0 HA LEU A 122 -6.869 7.155 -11.511 1.00 0.63 H new ATOM 0 HB2 LEU A 122 -7.641 5.718 -8.989 1.00 0.68 H new ATOM 0 HB3 LEU A 122 -6.045 6.262 -9.465 1.00 0.68 H new ATOM 0 HG LEU A 122 -8.368 8.139 -8.976 1.00 0.80 H new ATOM 0 HD11 LEU A 122 -7.352 8.613 -6.788 1.00 0.92 H new ATOM 0 HD12 LEU A 122 -7.903 6.926 -6.919 1.00 0.92 H new ATOM 0 HD13 LEU A 122 -6.171 7.310 -7.060 1.00 0.92 H new ATOM 0 HD21 LEU A 122 -6.614 9.856 -8.811 1.00 0.92 H new ATOM 0 HD22 LEU A 122 -5.386 8.633 -9.214 1.00 0.92 H new ATOM 0 HD23 LEU A 122 -6.633 9.069 -10.407 1.00 0.92 H new ATOM 1838 N ASP A 123 -8.349 4.698 -12.418 1.00 0.61 N ATOM 1839 CA ASP A 123 -8.373 3.363 -12.990 1.00 0.65 C ATOM 1840 C ASP A 123 -7.288 3.253 -14.063 1.00 0.84 C ATOM 1841 O ASP A 123 -6.541 2.276 -14.098 1.00 2.01 O ATOM 1842 CB ASP A 123 -9.723 3.072 -13.652 1.00 0.67 C ATOM 1843 CG ASP A 123 -9.844 1.689 -14.293 1.00 0.78 C ATOM 1844 OD1 ASP A 123 -10.116 0.734 -13.535 1.00 1.89 O ATOM 1845 OD2 ASP A 123 -9.662 1.617 -15.528 1.00 1.97 O ATOM 0 H ASP A 123 -9.151 5.281 -12.659 1.00 0.61 H new ATOM 0 HA ASP A 123 -8.203 2.648 -12.185 1.00 0.65 H new ATOM 0 HB2 ASP A 123 -10.508 3.179 -12.904 1.00 0.67 H new ATOM 0 HB3 ASP A 123 -9.906 3.827 -14.416 1.00 0.67 H new ATOM 1850 N GLY A 124 -7.235 4.268 -14.913 1.00 1.38 N ATOM 1851 CA GLY A 124 -6.322 4.251 -16.043 1.00 1.44 C ATOM 1852 C GLY A 124 -5.044 5.032 -15.728 1.00 1.43 C ATOM 1853 O GLY A 124 -4.487 5.696 -16.601 1.00 1.96 O ATOM 0 H GLY A 124 -7.810 5.108 -14.842 1.00 1.38 H new ATOM 0 HA2 GLY A 124 -6.070 3.221 -16.296 1.00 1.44 H new ATOM 0 HA3 GLY A 124 -6.811 4.683 -16.916 1.00 1.44 H new ATOM 1857 N LYS A 125 -4.618 4.927 -14.478 1.00 1.08 N ATOM 1858 CA LYS A 125 -3.438 5.645 -14.027 1.00 1.07 C ATOM 1859 C LYS A 125 -2.551 4.701 -13.214 1.00 0.96 C ATOM 1860 O LYS A 125 -1.348 4.613 -13.453 1.00 1.17 O ATOM 1861 CB LYS A 125 -3.838 6.915 -13.272 1.00 1.15 C ATOM 1862 CG LYS A 125 -4.632 7.862 -14.175 1.00 2.17 C ATOM 1863 CD LYS A 125 -4.861 9.210 -13.488 1.00 3.34 C ATOM 1864 CE LYS A 125 -5.672 10.149 -14.383 1.00 4.37 C ATOM 1865 NZ LYS A 125 -7.093 9.737 -14.414 1.00 5.96 N ATOM 0 H LYS A 125 -5.069 4.356 -13.763 1.00 1.08 H new ATOM 0 HA LYS A 125 -2.849 5.981 -14.880 1.00 1.07 H new ATOM 0 HB2 LYS A 125 -4.436 6.651 -12.400 1.00 1.15 H new ATOM 0 HB3 LYS A 125 -2.945 7.420 -12.904 1.00 1.15 H new ATOM 0 HG2 LYS A 125 -4.095 8.013 -15.111 1.00 2.17 H new ATOM 0 HG3 LYS A 125 -5.591 7.411 -14.427 1.00 2.17 H new ATOM 0 HD2 LYS A 125 -5.385 9.057 -12.545 1.00 3.34 H new ATOM 0 HD3 LYS A 125 -3.901 9.668 -13.249 1.00 3.34 H new ATOM 0 HE2 LYS A 125 -5.592 11.172 -14.014 1.00 4.37 H new ATOM 0 HE3 LYS A 125 -5.263 10.141 -15.393 1.00 4.37 H new ATOM 0 HZ1 LYS A 125 -7.674 10.521 -14.774 1.00 5.96 H new ATOM 0 HZ2 LYS A 125 -7.202 8.911 -15.037 1.00 5.96 H new ATOM 0 HZ3 LYS A 125 -7.404 9.489 -13.453 1.00 5.96 H new ATOM 1879 N HIS A 126 -3.180 4.016 -12.269 1.00 0.80 N ATOM 1880 CA HIS A 126 -2.442 3.215 -11.308 1.00 0.82 C ATOM 1881 C HIS A 126 -2.587 1.733 -11.655 1.00 0.95 C ATOM 1882 O HIS A 126 -3.462 1.356 -12.435 1.00 1.80 O ATOM 1883 CB HIS A 126 -2.886 3.536 -9.880 1.00 0.81 C ATOM 1884 CG HIS A 126 -2.898 5.011 -9.557 1.00 0.89 C ATOM 1885 ND1 HIS A 126 -2.064 5.921 -10.180 1.00 1.17 N ATOM 1886 CD2 HIS A 126 -3.653 5.723 -8.671 1.00 1.90 C ATOM 1887 CE1 HIS A 126 -2.312 7.124 -9.683 1.00 1.09 C ATOM 1888 NE2 HIS A 126 -3.298 6.999 -8.748 1.00 1.67 N ATOM 0 H HIS A 126 -4.193 4.000 -12.149 1.00 0.80 H new ATOM 0 HA HIS A 126 -1.382 3.462 -11.362 1.00 0.82 H new ATOM 0 HB2 HIS A 126 -3.886 3.132 -9.722 1.00 0.81 H new ATOM 0 HB3 HIS A 126 -2.222 3.027 -9.181 1.00 0.81 H new ATOM 0 HD1 HIS A 126 -1.375 5.703 -10.900 1.00 1.17 H new ATOM 0 HD2 HIS A 126 -4.411 5.317 -8.018 1.00 1.90 H new ATOM 0 HE1 HIS A 126 -1.820 8.042 -9.968 1.00 1.09 H new ATOM 1896 N VAL A 127 -1.717 0.930 -11.061 1.00 0.70 N ATOM 1897 CA VAL A 127 -1.722 -0.501 -11.316 1.00 0.71 C ATOM 1898 C VAL A 127 -2.242 -1.233 -10.078 1.00 0.63 C ATOM 1899 O VAL A 127 -1.939 -0.847 -8.950 1.00 0.85 O ATOM 1900 CB VAL A 127 -0.326 -0.961 -11.742 1.00 0.96 C ATOM 1901 CG1 VAL A 127 -0.247 -2.488 -11.803 1.00 1.10 C ATOM 1902 CG2 VAL A 127 0.072 -0.337 -13.081 1.00 1.16 C ATOM 0 H VAL A 127 -1.003 1.243 -10.403 1.00 0.70 H new ATOM 0 HA VAL A 127 -2.394 -0.740 -12.140 1.00 0.71 H new ATOM 0 HB VAL A 127 0.384 -0.619 -10.989 1.00 0.96 H new ATOM 0 HG11 VAL A 127 0.755 -2.789 -12.108 1.00 1.10 H new ATOM 0 HG12 VAL A 127 -0.467 -2.903 -10.819 1.00 1.10 H new ATOM 0 HG13 VAL A 127 -0.973 -2.861 -12.525 1.00 1.10 H new ATOM 0 HG21 VAL A 127 1.068 -0.680 -13.361 1.00 1.16 H new ATOM 0 HG22 VAL A 127 -0.643 -0.635 -13.848 1.00 1.16 H new ATOM 0 HG23 VAL A 127 0.075 0.749 -12.990 1.00 1.16 H new ATOM 1912 N VAL A 128 -3.015 -2.279 -10.330 1.00 0.55 N ATOM 1913 CA VAL A 128 -3.470 -3.149 -9.259 1.00 0.52 C ATOM 1914 C VAL A 128 -2.861 -4.540 -9.442 1.00 0.53 C ATOM 1915 O VAL A 128 -3.050 -5.172 -10.481 1.00 0.68 O ATOM 1916 CB VAL A 128 -4.999 -3.167 -9.214 1.00 0.66 C ATOM 1917 CG1 VAL A 128 -5.503 -3.992 -8.027 1.00 0.79 C ATOM 1918 CG2 VAL A 128 -5.564 -1.746 -9.172 1.00 0.78 C ATOM 0 H VAL A 128 -3.338 -2.544 -11.261 1.00 0.55 H new ATOM 0 HA VAL A 128 -3.134 -2.773 -8.293 1.00 0.52 H new ATOM 0 HB VAL A 128 -5.355 -3.642 -10.128 1.00 0.66 H new ATOM 0 HG11 VAL A 128 -6.593 -3.989 -8.018 1.00 0.79 H new ATOM 0 HG12 VAL A 128 -5.144 -5.017 -8.118 1.00 0.79 H new ATOM 0 HG13 VAL A 128 -5.131 -3.558 -7.099 1.00 0.79 H new ATOM 0 HG21 VAL A 128 -6.653 -1.788 -9.141 1.00 0.78 H new ATOM 0 HG22 VAL A 128 -5.195 -1.234 -8.284 1.00 0.78 H new ATOM 0 HG23 VAL A 128 -5.248 -1.202 -10.062 1.00 0.78 H new ATOM 1928 N PHE A 129 -2.142 -4.977 -8.419 1.00 0.58 N ATOM 1929 CA PHE A 129 -1.460 -6.259 -8.476 1.00 0.64 C ATOM 1930 C PHE A 129 -1.806 -7.117 -7.257 1.00 0.69 C ATOM 1931 O PHE A 129 -1.162 -8.136 -7.009 1.00 1.02 O ATOM 1932 CB PHE A 129 0.042 -5.968 -8.472 1.00 0.78 C ATOM 1933 CG PHE A 129 0.596 -5.574 -7.102 1.00 1.49 C ATOM 1934 CD1 PHE A 129 0.500 -4.287 -6.674 1.00 2.32 C ATOM 1935 CD2 PHE A 129 1.184 -6.511 -6.311 1.00 2.75 C ATOM 1936 CE1 PHE A 129 1.014 -3.921 -5.402 1.00 3.16 C ATOM 1937 CE2 PHE A 129 1.699 -6.146 -5.039 1.00 3.56 C ATOM 1938 CZ PHE A 129 1.602 -4.858 -4.611 1.00 3.42 C ATOM 0 H PHE A 129 -2.017 -4.466 -7.545 1.00 0.58 H new ATOM 0 HA PHE A 129 -1.765 -6.804 -9.369 1.00 0.64 H new ATOM 0 HB2 PHE A 129 0.574 -6.851 -8.827 1.00 0.78 H new ATOM 0 HB3 PHE A 129 0.248 -5.165 -9.180 1.00 0.78 H new ATOM 0 HD1 PHE A 129 0.033 -3.543 -7.302 1.00 2.32 H new ATOM 0 HD2 PHE A 129 1.259 -7.533 -6.650 1.00 2.75 H new ATOM 0 HE1 PHE A 129 0.938 -2.899 -5.063 1.00 3.16 H new ATOM 0 HE2 PHE A 129 2.167 -6.890 -4.412 1.00 3.56 H new ATOM 0 HZ PHE A 129 1.992 -4.580 -3.643 1.00 3.42 H new ATOM 1948 N GLY A 130 -2.818 -6.672 -6.528 1.00 0.58 N ATOM 1949 CA GLY A 130 -3.273 -7.401 -5.355 1.00 0.62 C ATOM 1950 C GLY A 130 -4.542 -6.772 -4.776 1.00 0.63 C ATOM 1951 O GLY A 130 -4.898 -5.649 -5.128 1.00 0.89 O ATOM 0 H GLY A 130 -3.336 -5.816 -6.726 1.00 0.58 H new ATOM 0 HA2 GLY A 130 -3.467 -8.440 -5.621 1.00 0.62 H new ATOM 0 HA3 GLY A 130 -2.488 -7.406 -4.599 1.00 0.62 H new ATOM 1955 N LYS A 131 -5.189 -7.524 -3.898 1.00 0.56 N ATOM 1956 CA LYS A 131 -6.380 -7.033 -3.227 1.00 0.74 C ATOM 1957 C LYS A 131 -6.421 -7.587 -1.801 1.00 0.66 C ATOM 1958 O LYS A 131 -5.613 -8.441 -1.440 1.00 0.80 O ATOM 1959 CB LYS A 131 -7.630 -7.354 -4.048 1.00 1.02 C ATOM 1960 CG LYS A 131 -7.962 -8.846 -3.981 1.00 1.33 C ATOM 1961 CD LYS A 131 -9.362 -9.121 -4.531 1.00 1.43 C ATOM 1962 CE LYS A 131 -9.809 -10.548 -4.205 1.00 2.10 C ATOM 1963 NZ LYS A 131 -9.276 -11.500 -5.205 1.00 3.12 N ATOM 0 H LYS A 131 -4.911 -8.470 -3.636 1.00 0.56 H new ATOM 0 HA LYS A 131 -6.351 -5.946 -3.147 1.00 0.74 H new ATOM 0 HB2 LYS A 131 -8.473 -6.773 -3.675 1.00 1.02 H new ATOM 0 HB3 LYS A 131 -7.474 -7.059 -5.086 1.00 1.02 H new ATOM 0 HG2 LYS A 131 -7.226 -9.412 -4.551 1.00 1.33 H new ATOM 0 HG3 LYS A 131 -7.899 -9.190 -2.949 1.00 1.33 H new ATOM 0 HD2 LYS A 131 -10.070 -8.409 -4.107 1.00 1.43 H new ATOM 0 HD3 LYS A 131 -9.368 -8.972 -5.611 1.00 1.43 H new ATOM 0 HE2 LYS A 131 -9.462 -10.825 -3.209 1.00 2.10 H new ATOM 0 HE3 LYS A 131 -10.898 -10.600 -4.189 1.00 2.10 H new ATOM 0 HZ1 LYS A 131 -9.532 -12.470 -4.931 1.00 3.12 H new ATOM 0 HZ2 LYS A 131 -9.681 -11.285 -6.139 1.00 3.12 H new ATOM 0 HZ3 LYS A 131 -8.240 -11.414 -5.248 1.00 3.12 H new ATOM 1977 N VAL A 132 -7.372 -7.080 -1.030 1.00 0.56 N ATOM 1978 CA VAL A 132 -7.545 -7.532 0.340 1.00 0.53 C ATOM 1979 C VAL A 132 -8.320 -8.851 0.344 1.00 0.62 C ATOM 1980 O VAL A 132 -9.336 -8.980 -0.339 1.00 0.82 O ATOM 1981 CB VAL A 132 -8.221 -6.438 1.170 1.00 0.63 C ATOM 1982 CG1 VAL A 132 -8.445 -6.903 2.611 1.00 0.76 C ATOM 1983 CG2 VAL A 132 -7.411 -5.141 1.133 1.00 0.83 C ATOM 0 H VAL A 132 -8.031 -6.361 -1.328 1.00 0.56 H new ATOM 0 HA VAL A 132 -6.578 -7.723 0.804 1.00 0.53 H new ATOM 0 HB VAL A 132 -9.196 -6.236 0.727 1.00 0.63 H new ATOM 0 HG11 VAL A 132 -8.927 -6.107 3.179 1.00 0.76 H new ATOM 0 HG12 VAL A 132 -9.082 -7.787 2.613 1.00 0.76 H new ATOM 0 HG13 VAL A 132 -7.486 -7.146 3.068 1.00 0.76 H new ATOM 0 HG21 VAL A 132 -7.914 -4.381 1.731 1.00 0.83 H new ATOM 0 HG22 VAL A 132 -6.416 -5.322 1.539 1.00 0.83 H new ATOM 0 HG23 VAL A 132 -7.325 -4.795 0.103 1.00 0.83 H new ATOM 1993 N LYS A 133 -7.813 -9.797 1.119 1.00 0.74 N ATOM 1994 CA LYS A 133 -8.438 -11.105 1.211 1.00 0.89 C ATOM 1995 C LYS A 133 -9.509 -11.078 2.303 1.00 0.80 C ATOM 1996 O LYS A 133 -10.687 -11.301 2.028 1.00 1.75 O ATOM 1997 CB LYS A 133 -7.381 -12.192 1.414 1.00 1.23 C ATOM 1998 CG LYS A 133 -8.006 -13.586 1.345 1.00 1.39 C ATOM 1999 CD LYS A 133 -7.265 -14.470 0.341 1.00 1.99 C ATOM 2000 CE LYS A 133 -5.860 -14.812 0.843 1.00 2.92 C ATOM 2001 NZ LYS A 133 -5.163 -15.688 -0.125 1.00 4.13 N ATOM 0 H LYS A 133 -6.975 -9.684 1.690 1.00 0.74 H new ATOM 0 HA LYS A 133 -8.941 -11.353 0.276 1.00 0.89 H new ATOM 0 HB2 LYS A 133 -6.607 -12.099 0.652 1.00 1.23 H new ATOM 0 HB3 LYS A 133 -6.895 -12.055 2.380 1.00 1.23 H new ATOM 0 HG2 LYS A 133 -7.980 -14.049 2.331 1.00 1.39 H new ATOM 0 HG3 LYS A 133 -9.055 -13.505 1.059 1.00 1.39 H new ATOM 0 HD2 LYS A 133 -7.829 -15.388 0.174 1.00 1.99 H new ATOM 0 HD3 LYS A 133 -7.197 -13.958 -0.619 1.00 1.99 H new ATOM 0 HE2 LYS A 133 -5.288 -13.896 0.992 1.00 2.92 H new ATOM 0 HE3 LYS A 133 -5.924 -15.309 1.811 1.00 2.92 H new ATOM 0 HZ1 LYS A 133 -4.220 -15.299 -0.329 1.00 4.13 H new ATOM 0 HZ2 LYS A 133 -5.065 -16.642 0.278 1.00 4.13 H new ATOM 0 HZ3 LYS A 133 -5.714 -15.740 -1.006 1.00 4.13 H new ATOM 2015 N GLU A 134 -9.062 -10.804 3.520 1.00 0.92 N ATOM 2016 CA GLU A 134 -9.978 -10.652 4.637 1.00 0.77 C ATOM 2017 C GLU A 134 -9.323 -9.836 5.754 1.00 0.95 C ATOM 2018 O GLU A 134 -8.252 -10.191 6.240 1.00 1.82 O ATOM 2019 CB GLU A 134 -10.440 -12.016 5.155 1.00 1.00 C ATOM 2020 CG GLU A 134 -11.039 -11.895 6.559 1.00 2.06 C ATOM 2021 CD GLU A 134 -11.976 -13.067 6.858 1.00 2.18 C ATOM 2022 OE1 GLU A 134 -11.482 -14.214 6.809 1.00 2.06 O ATOM 2023 OE2 GLU A 134 -13.164 -12.789 7.129 1.00 3.57 O ATOM 0 H GLU A 134 -8.077 -10.683 3.757 1.00 0.92 H new ATOM 0 HA GLU A 134 -10.859 -10.113 4.289 1.00 0.77 H new ATOM 0 HB2 GLU A 134 -11.181 -12.436 4.474 1.00 1.00 H new ATOM 0 HB3 GLU A 134 -9.597 -12.707 5.174 1.00 1.00 H new ATOM 0 HG2 GLU A 134 -10.239 -11.867 7.299 1.00 2.06 H new ATOM 0 HG3 GLU A 134 -11.586 -10.956 6.645 1.00 2.06 H new ATOM 2030 N GLY A 135 -9.995 -8.757 6.126 1.00 0.63 N ATOM 2031 CA GLY A 135 -9.367 -7.725 6.933 1.00 0.61 C ATOM 2032 C GLY A 135 -9.799 -6.330 6.475 1.00 0.59 C ATOM 2033 O GLY A 135 -9.396 -5.328 7.061 1.00 0.69 O ATOM 0 H GLY A 135 -10.969 -8.575 5.883 1.00 0.63 H new ATOM 0 HA2 GLY A 135 -9.633 -7.866 7.981 1.00 0.61 H new ATOM 0 HA3 GLY A 135 -8.283 -7.814 6.864 1.00 0.61 H new ATOM 2037 N MET A 136 -10.615 -6.312 5.431 1.00 0.66 N ATOM 2038 CA MET A 136 -11.278 -5.086 5.021 1.00 0.78 C ATOM 2039 C MET A 136 -11.714 -4.265 6.236 1.00 0.67 C ATOM 2040 O MET A 136 -11.577 -3.042 6.245 1.00 0.70 O ATOM 2041 CB MET A 136 -12.503 -5.427 4.169 1.00 0.99 C ATOM 2042 CG MET A 136 -12.106 -5.684 2.714 1.00 1.19 C ATOM 2043 SD MET A 136 -12.630 -4.321 1.689 1.00 1.51 S ATOM 2044 CE MET A 136 -11.516 -3.051 2.268 1.00 1.25 C ATOM 0 H MET A 136 -10.832 -7.127 4.857 1.00 0.66 H new ATOM 0 HA MET A 136 -10.573 -4.492 4.439 1.00 0.78 H new ATOM 0 HB2 MET A 136 -12.999 -6.309 4.575 1.00 0.99 H new ATOM 0 HB3 MET A 136 -13.221 -4.608 4.214 1.00 0.99 H new ATOM 0 HG2 MET A 136 -11.026 -5.811 2.640 1.00 1.19 H new ATOM 0 HG3 MET A 136 -12.561 -6.610 2.362 1.00 1.19 H new ATOM 0 HE1 MET A 136 -11.622 -2.163 1.645 1.00 1.25 H new ATOM 0 HE2 MET A 136 -11.755 -2.801 3.301 1.00 1.25 H new ATOM 0 HE3 MET A 136 -10.490 -3.414 2.211 1.00 1.25 H new ATOM 2054 N ASN A 137 -12.229 -4.969 7.232 1.00 0.63 N ATOM 2055 CA ASN A 137 -12.735 -4.316 8.428 1.00 0.62 C ATOM 2056 C ASN A 137 -11.570 -3.682 9.190 1.00 0.62 C ATOM 2057 O ASN A 137 -11.704 -2.590 9.740 1.00 0.69 O ATOM 2058 CB ASN A 137 -13.417 -5.321 9.358 1.00 0.65 C ATOM 2059 CG ASN A 137 -14.201 -6.364 8.559 1.00 2.35 C ATOM 2060 OD1 ASN A 137 -15.270 -6.104 8.032 1.00 3.65 O ATOM 2061 ND2 ASN A 137 -13.611 -7.554 8.499 1.00 3.45 N ATOM 0 H ASN A 137 -12.307 -5.986 7.236 1.00 0.63 H new ATOM 0 HA ASN A 137 -13.459 -3.562 8.119 1.00 0.62 H new ATOM 0 HB2 ASN A 137 -12.668 -5.818 9.974 1.00 0.65 H new ATOM 0 HB3 ASN A 137 -14.090 -4.796 10.036 1.00 0.65 H new ATOM 0 HD21 ASN A 137 -14.054 -8.318 7.988 1.00 3.45 H new ATOM 0 HD22 ASN A 137 -12.715 -7.703 8.964 1.00 3.45 H new ATOM 2068 N ILE A 138 -10.452 -4.393 9.197 1.00 0.65 N ATOM 2069 CA ILE A 138 -9.274 -3.930 9.910 1.00 0.74 C ATOM 2070 C ILE A 138 -8.779 -2.627 9.279 1.00 0.72 C ATOM 2071 O ILE A 138 -8.337 -1.721 9.983 1.00 0.82 O ATOM 2072 CB ILE A 138 -8.212 -5.030 9.964 1.00 0.83 C ATOM 2073 CG1 ILE A 138 -8.785 -6.317 10.562 1.00 1.18 C ATOM 2074 CG2 ILE A 138 -6.966 -4.555 10.712 1.00 0.92 C ATOM 2075 CD1 ILE A 138 -9.465 -6.042 11.904 1.00 0.87 C ATOM 0 H ILE A 138 -10.337 -5.287 8.720 1.00 0.65 H new ATOM 0 HA ILE A 138 -9.521 -3.707 10.948 1.00 0.74 H new ATOM 0 HB ILE A 138 -7.906 -5.258 8.943 1.00 0.83 H new ATOM 0 HG12 ILE A 138 -9.503 -6.756 9.869 1.00 1.18 H new ATOM 0 HG13 ILE A 138 -7.986 -7.046 10.698 1.00 1.18 H new ATOM 0 HG21 ILE A 138 -6.228 -5.357 10.735 1.00 0.92 H new ATOM 0 HG22 ILE A 138 -6.544 -3.688 10.203 1.00 0.92 H new ATOM 0 HG23 ILE A 138 -7.236 -4.281 11.732 1.00 0.92 H new ATOM 0 HD11 ILE A 138 -9.864 -6.973 12.307 1.00 0.87 H new ATOM 0 HD12 ILE A 138 -8.738 -5.626 12.602 1.00 0.87 H new ATOM 0 HD13 ILE A 138 -10.279 -5.331 11.761 1.00 0.87 H new ATOM 2087 N VAL A 139 -8.871 -2.575 7.958 1.00 0.64 N ATOM 2088 CA VAL A 139 -8.428 -1.403 7.223 1.00 0.70 C ATOM 2089 C VAL A 139 -9.340 -0.221 7.560 1.00 0.76 C ATOM 2090 O VAL A 139 -8.859 0.863 7.886 1.00 0.97 O ATOM 2091 CB VAL A 139 -8.379 -1.712 5.725 1.00 0.67 C ATOM 2092 CG1 VAL A 139 -8.093 -0.448 4.913 1.00 0.82 C ATOM 2093 CG2 VAL A 139 -7.349 -2.803 5.424 1.00 0.70 C ATOM 0 H VAL A 139 -9.246 -3.326 7.378 1.00 0.64 H new ATOM 0 HA VAL A 139 -7.415 -1.127 7.518 1.00 0.70 H new ATOM 0 HB VAL A 139 -9.359 -2.085 5.428 1.00 0.67 H new ATOM 0 HG11 VAL A 139 -8.064 -0.696 3.852 1.00 0.82 H new ATOM 0 HG12 VAL A 139 -8.879 0.285 5.093 1.00 0.82 H new ATOM 0 HG13 VAL A 139 -7.132 -0.031 5.215 1.00 0.82 H new ATOM 0 HG21 VAL A 139 -7.334 -3.004 4.353 1.00 0.70 H new ATOM 0 HG22 VAL A 139 -6.362 -2.470 5.745 1.00 0.70 H new ATOM 0 HG23 VAL A 139 -7.616 -3.714 5.960 1.00 0.70 H new ATOM 2103 N GLU A 140 -10.637 -0.471 7.469 1.00 0.69 N ATOM 2104 CA GLU A 140 -11.618 0.582 7.669 1.00 0.79 C ATOM 2105 C GLU A 140 -11.533 1.122 9.099 1.00 0.78 C ATOM 2106 O GLU A 140 -11.642 2.327 9.319 1.00 0.92 O ATOM 2107 CB GLU A 140 -13.030 0.085 7.355 1.00 0.85 C ATOM 2108 CG GLU A 140 -13.947 1.245 6.969 1.00 1.03 C ATOM 2109 CD GLU A 140 -15.152 1.329 7.909 1.00 2.06 C ATOM 2110 OE1 GLU A 140 -16.159 0.656 7.602 1.00 2.60 O ATOM 2111 OE2 GLU A 140 -15.038 2.064 8.913 1.00 3.53 O ATOM 0 H GLU A 140 -11.032 -1.388 7.259 1.00 0.69 H new ATOM 0 HA GLU A 140 -11.393 1.395 6.979 1.00 0.79 H new ATOM 0 HB2 GLU A 140 -12.992 -0.639 6.541 1.00 0.85 H new ATOM 0 HB3 GLU A 140 -13.438 -0.433 8.223 1.00 0.85 H new ATOM 0 HG2 GLU A 140 -13.389 2.181 7.003 1.00 1.03 H new ATOM 0 HG3 GLU A 140 -14.290 1.116 5.943 1.00 1.03 H new ATOM 2118 N ALA A 141 -11.338 0.203 10.034 1.00 0.72 N ATOM 2119 CA ALA A 141 -11.262 0.568 11.437 1.00 0.79 C ATOM 2120 C ALA A 141 -10.124 1.573 11.637 1.00 0.85 C ATOM 2121 O ALA A 141 -10.210 2.450 12.495 1.00 1.06 O ATOM 2122 CB ALA A 141 -11.081 -0.693 12.284 1.00 0.89 C ATOM 0 H ALA A 141 -11.230 -0.794 9.846 1.00 0.72 H new ATOM 0 HA ALA A 141 -12.186 1.047 11.759 1.00 0.79 H new ATOM 0 HB1 ALA A 141 -11.024 -0.419 13.337 1.00 0.89 H new ATOM 0 HB2 ALA A 141 -11.928 -1.361 12.128 1.00 0.89 H new ATOM 0 HB3 ALA A 141 -10.161 -1.199 11.991 1.00 0.89 H new ATOM 2128 N MET A 142 -9.085 1.410 10.830 1.00 0.77 N ATOM 2129 CA MET A 142 -7.939 2.299 10.900 1.00 0.84 C ATOM 2130 C MET A 142 -8.198 3.591 10.123 1.00 0.81 C ATOM 2131 O MET A 142 -7.672 4.646 10.473 1.00 0.86 O ATOM 2132 CB MET A 142 -6.710 1.594 10.320 1.00 1.03 C ATOM 2133 CG MET A 142 -5.441 2.413 10.564 1.00 1.64 C ATOM 2134 SD MET A 142 -4.142 1.867 9.469 1.00 1.51 S ATOM 2135 CE MET A 142 -4.788 2.445 7.909 1.00 1.74 C ATOM 0 H MET A 142 -9.014 0.676 10.125 1.00 0.77 H new ATOM 0 HA MET A 142 -7.765 2.554 11.945 1.00 0.84 H new ATOM 0 HB2 MET A 142 -6.604 0.609 10.774 1.00 1.03 H new ATOM 0 HB3 MET A 142 -6.847 1.439 9.250 1.00 1.03 H new ATOM 0 HG2 MET A 142 -5.644 3.471 10.401 1.00 1.64 H new ATOM 0 HG3 MET A 142 -5.123 2.306 11.601 1.00 1.64 H new ATOM 0 HE1 MET A 142 -4.729 1.644 7.172 1.00 1.74 H new ATOM 0 HE2 MET A 142 -5.828 2.746 8.035 1.00 1.74 H new ATOM 0 HE3 MET A 142 -4.202 3.298 7.566 1.00 1.74 H new ATOM 2145 N GLU A 143 -9.010 3.467 9.084 1.00 0.82 N ATOM 2146 CA GLU A 143 -9.374 4.618 8.276 1.00 0.86 C ATOM 2147 C GLU A 143 -10.022 5.695 9.148 1.00 0.92 C ATOM 2148 O GLU A 143 -9.857 6.887 8.894 1.00 1.05 O ATOM 2149 CB GLU A 143 -10.301 4.212 7.128 1.00 0.89 C ATOM 2150 CG GLU A 143 -10.437 5.342 6.107 1.00 1.51 C ATOM 2151 CD GLU A 143 -11.208 4.875 4.871 1.00 1.50 C ATOM 2152 OE1 GLU A 143 -11.931 3.863 5.002 1.00 2.02 O ATOM 2153 OE2 GLU A 143 -11.059 5.540 3.823 1.00 2.53 O ATOM 0 H GLU A 143 -9.427 2.586 8.783 1.00 0.82 H new ATOM 0 HA GLU A 143 -8.465 5.031 7.837 1.00 0.86 H new ATOM 0 HB2 GLU A 143 -9.910 3.320 6.638 1.00 0.89 H new ATOM 0 HB3 GLU A 143 -11.284 3.954 7.523 1.00 0.89 H new ATOM 0 HG2 GLU A 143 -10.951 6.188 6.562 1.00 1.51 H new ATOM 0 HG3 GLU A 143 -9.448 5.691 5.812 1.00 1.51 H new ATOM 2160 N ARG A 144 -10.745 5.236 10.160 1.00 0.95 N ATOM 2161 CA ARG A 144 -11.571 6.129 10.955 1.00 1.07 C ATOM 2162 C ARG A 144 -10.694 7.116 11.728 1.00 1.12 C ATOM 2163 O ARG A 144 -11.158 8.185 12.124 1.00 1.29 O ATOM 2164 CB ARG A 144 -12.436 5.344 11.944 1.00 1.36 C ATOM 2165 CG ARG A 144 -13.507 4.533 11.211 1.00 1.84 C ATOM 2166 CD ARG A 144 -14.287 3.649 12.185 1.00 2.47 C ATOM 2167 NE ARG A 144 -15.605 4.257 12.477 1.00 2.81 N ATOM 2168 CZ ARG A 144 -16.674 4.154 11.676 1.00 3.83 C ATOM 2169 NH1 ARG A 144 -16.564 3.548 10.487 1.00 4.53 N ATOM 2170 NH2 ARG A 144 -17.854 4.657 12.065 1.00 4.94 N ATOM 0 H ARG A 144 -10.776 4.258 10.447 1.00 0.95 H new ATOM 0 HA ARG A 144 -12.223 6.674 10.272 1.00 1.07 H new ATOM 0 HB2 ARG A 144 -11.807 4.675 12.532 1.00 1.36 H new ATOM 0 HB3 ARG A 144 -12.911 6.032 12.643 1.00 1.36 H new ATOM 0 HG2 ARG A 144 -14.192 5.208 10.698 1.00 1.84 H new ATOM 0 HG3 ARG A 144 -13.039 3.913 10.446 1.00 1.84 H new ATOM 0 HD2 ARG A 144 -14.422 2.655 11.758 1.00 2.47 H new ATOM 0 HD3 ARG A 144 -13.722 3.525 13.109 1.00 2.47 H new ATOM 0 HE ARG A 144 -15.705 4.788 13.342 1.00 2.81 H new ATOM 0 HH11 ARG A 144 -15.666 3.165 10.191 1.00 4.53 H new ATOM 0 HH12 ARG A 144 -17.378 3.470 9.877 1.00 4.53 H new ATOM 0 HH21 ARG A 144 -17.938 5.118 12.971 1.00 4.94 H new ATOM 0 HH22 ARG A 144 -18.668 4.579 11.455 1.00 4.94 H new ATOM 2184 N PHE A 145 -9.444 6.725 11.917 1.00 1.10 N ATOM 2185 CA PHE A 145 -8.532 7.503 12.740 1.00 1.20 C ATOM 2186 C PHE A 145 -7.844 8.593 11.915 1.00 1.15 C ATOM 2187 O PHE A 145 -7.158 9.453 12.466 1.00 1.34 O ATOM 2188 CB PHE A 145 -7.473 6.536 13.271 1.00 1.36 C ATOM 2189 CG PHE A 145 -7.934 5.704 14.470 1.00 1.59 C ATOM 2190 CD1 PHE A 145 -8.727 4.616 14.278 1.00 2.23 C ATOM 2191 CD2 PHE A 145 -7.551 6.053 15.728 1.00 2.71 C ATOM 2192 CE1 PHE A 145 -9.156 3.845 15.391 1.00 2.51 C ATOM 2193 CE2 PHE A 145 -7.979 5.281 16.840 1.00 3.00 C ATOM 2194 CZ PHE A 145 -8.772 4.194 16.648 1.00 2.34 C ATOM 0 H PHE A 145 -9.040 5.879 11.515 1.00 1.10 H new ATOM 0 HA PHE A 145 -9.081 7.988 13.547 1.00 1.20 H new ATOM 0 HB2 PHE A 145 -7.176 5.862 12.467 1.00 1.36 H new ATOM 0 HB3 PHE A 145 -6.587 7.104 13.555 1.00 1.36 H new ATOM 0 HD1 PHE A 145 -9.030 4.338 13.279 1.00 2.23 H new ATOM 0 HD2 PHE A 145 -6.921 6.917 15.881 1.00 2.71 H new ATOM 0 HE1 PHE A 145 -9.787 2.982 15.239 1.00 2.51 H new ATOM 0 HE2 PHE A 145 -7.674 5.558 17.839 1.00 3.00 H new ATOM 0 HZ PHE A 145 -9.097 3.607 17.494 1.00 2.34 H new ATOM 2204 N GLY A 146 -8.050 8.520 10.608 1.00 1.05 N ATOM 2205 CA GLY A 146 -7.532 9.539 9.712 1.00 1.04 C ATOM 2206 C GLY A 146 -8.557 10.656 9.502 1.00 1.09 C ATOM 2207 O GLY A 146 -9.762 10.411 9.531 1.00 1.95 O ATOM 0 H GLY A 146 -8.568 7.771 10.149 1.00 1.05 H new ATOM 0 HA2 GLY A 146 -6.613 9.956 10.123 1.00 1.04 H new ATOM 0 HA3 GLY A 146 -7.277 9.089 8.752 1.00 1.04 H new ATOM 2211 N SER A 147 -8.040 11.858 9.295 1.00 1.02 N ATOM 2212 CA SER A 147 -8.893 13.026 9.156 1.00 1.09 C ATOM 2213 C SER A 147 -8.040 14.296 9.113 1.00 2.13 C ATOM 2214 O SER A 147 -6.816 14.228 9.216 1.00 3.48 O ATOM 2215 CB SER A 147 -9.906 13.107 10.300 1.00 1.75 C ATOM 2216 OG SER A 147 -11.153 12.512 9.951 1.00 3.46 O ATOM 0 H SER A 147 -7.041 12.048 9.220 1.00 1.02 H new ATOM 0 HA SER A 147 -9.446 12.936 8.221 1.00 1.09 H new ATOM 0 HB2 SER A 147 -9.500 12.608 11.180 1.00 1.75 H new ATOM 0 HB3 SER A 147 -10.065 14.151 10.570 1.00 1.75 H new ATOM 0 HG SER A 147 -11.055 11.537 9.929 1.00 3.46 H new ATOM 2222 N ARG A 148 -8.720 15.422 8.961 1.00 2.32 N ATOM 2223 CA ARG A 148 -8.040 16.705 8.903 1.00 3.68 C ATOM 2224 C ARG A 148 -6.694 16.560 8.189 1.00 3.15 C ATOM 2225 O ARG A 148 -6.631 16.603 6.961 1.00 3.11 O ATOM 2226 CB ARG A 148 -7.806 17.270 10.306 1.00 5.17 C ATOM 2227 CG ARG A 148 -7.970 16.181 11.369 1.00 5.84 C ATOM 2228 CD ARG A 148 -7.648 16.724 12.763 1.00 7.72 C ATOM 2229 NE ARG A 148 -6.193 16.629 13.020 1.00 9.02 N ATOM 2230 CZ ARG A 148 -5.660 16.124 14.141 1.00 10.65 C ATOM 2231 NH1 ARG A 148 -6.383 16.088 15.269 1.00 11.37 N ATOM 2232 NH2 ARG A 148 -4.405 15.656 14.134 1.00 11.97 N ATOM 0 H ARG A 148 -9.735 15.473 8.876 1.00 2.32 H new ATOM 0 HA ARG A 148 -8.678 17.393 8.349 1.00 3.68 H new ATOM 0 HB2 ARG A 148 -6.805 17.696 10.368 1.00 5.17 H new ATOM 0 HB3 ARG A 148 -8.510 18.080 10.498 1.00 5.17 H new ATOM 0 HG2 ARG A 148 -8.991 15.800 11.350 1.00 5.84 H new ATOM 0 HG3 ARG A 148 -7.312 15.342 11.140 1.00 5.84 H new ATOM 0 HD2 ARG A 148 -7.973 17.762 12.842 1.00 7.72 H new ATOM 0 HD3 ARG A 148 -8.196 16.160 13.518 1.00 7.72 H new ATOM 0 HE ARG A 148 -5.557 16.969 12.299 1.00 9.02 H new ATOM 0 HH11 ARG A 148 -7.339 16.445 15.274 1.00 11.37 H new ATOM 0 HH12 ARG A 148 -5.978 15.704 16.122 1.00 11.37 H new ATOM 0 HH21 ARG A 148 -3.855 15.684 13.275 1.00 11.97 H new ATOM 0 HH22 ARG A 148 -3.999 15.272 14.987 1.00 11.97 H new ATOM 2246 N ASN A 149 -5.651 16.391 8.988 1.00 3.08 N ATOM 2247 CA ASN A 149 -4.304 16.692 8.535 1.00 3.17 C ATOM 2248 C ASN A 149 -3.789 15.534 7.676 1.00 2.52 C ATOM 2249 O ASN A 149 -2.826 15.693 6.927 1.00 2.80 O ATOM 2250 CB ASN A 149 -3.350 16.864 9.718 1.00 3.74 C ATOM 2251 CG ASN A 149 -3.497 15.711 10.713 1.00 3.45 C ATOM 2252 OD1 ASN A 149 -4.536 15.511 11.322 1.00 3.31 O ATOM 2253 ND2 ASN A 149 -2.403 14.967 10.844 1.00 4.16 N ATOM 0 H ASN A 149 -5.712 16.049 9.947 1.00 3.08 H new ATOM 0 HA ASN A 149 -4.340 17.620 7.964 1.00 3.17 H new ATOM 0 HB2 ASN A 149 -2.322 16.909 9.357 1.00 3.74 H new ATOM 0 HB3 ASN A 149 -3.554 17.810 10.220 1.00 3.74 H new ATOM 0 HD21 ASN A 149 -2.400 14.173 11.485 1.00 4.16 H new ATOM 0 HD22 ASN A 149 -1.567 15.190 10.304 1.00 4.16 H new ATOM 2260 N GLY A 150 -4.453 14.396 7.815 1.00 1.95 N ATOM 2261 CA GLY A 150 -4.099 13.224 7.033 1.00 1.82 C ATOM 2262 C GLY A 150 -3.214 12.273 7.841 1.00 1.70 C ATOM 2263 O GLY A 150 -3.423 11.061 7.827 1.00 2.66 O ATOM 0 H GLY A 150 -5.234 14.261 8.457 1.00 1.95 H new ATOM 0 HA2 GLY A 150 -5.005 12.705 6.719 1.00 1.82 H new ATOM 0 HA3 GLY A 150 -3.577 13.531 6.127 1.00 1.82 H new ATOM 2267 N LYS A 151 -2.243 12.859 8.527 1.00 2.13 N ATOM 2268 CA LYS A 151 -1.280 12.074 9.279 1.00 2.52 C ATOM 2269 C LYS A 151 -1.883 11.695 10.633 1.00 2.47 C ATOM 2270 O LYS A 151 -1.338 12.044 11.680 1.00 3.80 O ATOM 2271 CB LYS A 151 0.051 12.820 9.387 1.00 3.18 C ATOM 2272 CG LYS A 151 1.167 11.887 9.863 1.00 3.46 C ATOM 2273 CD LYS A 151 1.920 11.282 8.677 1.00 4.44 C ATOM 2274 CE LYS A 151 2.848 10.155 9.133 1.00 5.32 C ATOM 2275 NZ LYS A 151 3.684 9.683 8.007 1.00 6.21 N ATOM 0 H LYS A 151 -2.103 13.868 8.577 1.00 2.13 H new ATOM 0 HA LYS A 151 -1.057 11.143 8.757 1.00 2.52 H new ATOM 0 HB2 LYS A 151 0.315 13.243 8.417 1.00 3.18 H new ATOM 0 HB3 LYS A 151 -0.051 13.654 10.081 1.00 3.18 H new ATOM 0 HG2 LYS A 151 1.862 12.439 10.496 1.00 3.46 H new ATOM 0 HG3 LYS A 151 0.743 11.090 10.474 1.00 3.46 H new ATOM 0 HD2 LYS A 151 1.207 10.898 7.947 1.00 4.44 H new ATOM 0 HD3 LYS A 151 2.502 12.057 8.178 1.00 4.44 H new ATOM 0 HE2 LYS A 151 3.485 10.507 9.944 1.00 5.32 H new ATOM 0 HE3 LYS A 151 2.258 9.328 9.527 1.00 5.32 H new ATOM 0 HZ1 LYS A 151 3.865 8.664 8.112 1.00 6.21 H new ATOM 0 HZ2 LYS A 151 3.187 9.856 7.110 1.00 6.21 H new ATOM 0 HZ3 LYS A 151 4.588 10.197 8.007 1.00 6.21 H new ATOM 2289 N THR A 152 -3.000 10.984 10.569 1.00 1.55 N ATOM 2290 CA THR A 152 -3.671 10.534 11.778 1.00 1.50 C ATOM 2291 C THR A 152 -3.755 11.673 12.796 1.00 1.75 C ATOM 2292 O THR A 152 -3.592 12.839 12.444 1.00 2.32 O ATOM 2293 CB THR A 152 -2.926 9.305 12.300 1.00 1.85 C ATOM 2294 OG1 THR A 152 -1.812 9.846 13.005 1.00 2.86 O ATOM 2295 CG2 THR A 152 -2.293 8.482 11.177 1.00 1.79 C ATOM 0 H THR A 152 -3.457 10.709 9.700 1.00 1.55 H new ATOM 0 HA THR A 152 -4.702 10.245 11.576 1.00 1.50 H new ATOM 0 HB THR A 152 -3.615 8.677 12.865 1.00 1.85 H new ATOM 0 HG1 THR A 152 -1.650 10.765 12.705 1.00 2.86 H new ATOM 0 HG21 THR A 152 -1.777 7.622 11.603 1.00 1.79 H new ATOM 0 HG22 THR A 152 -3.071 8.138 10.495 1.00 1.79 H new ATOM 0 HG23 THR A 152 -1.580 9.099 10.631 1.00 1.79 H new ATOM 2303 N SER A 153 -4.011 11.293 14.040 1.00 1.87 N ATOM 2304 CA SER A 153 -3.980 12.247 15.135 1.00 2.36 C ATOM 2305 C SER A 153 -3.502 11.560 16.415 1.00 1.91 C ATOM 2306 O SER A 153 -3.753 12.046 17.517 1.00 2.39 O ATOM 2307 CB SER A 153 -5.356 12.878 15.354 1.00 3.12 C ATOM 2308 OG SER A 153 -5.304 13.968 16.270 1.00 4.37 O ATOM 0 H SER A 153 -4.241 10.337 14.313 1.00 1.87 H new ATOM 0 HA SER A 153 -3.282 13.043 14.875 1.00 2.36 H new ATOM 0 HB2 SER A 153 -5.752 13.225 14.400 1.00 3.12 H new ATOM 0 HB3 SER A 153 -6.046 12.122 15.729 1.00 3.12 H new ATOM 0 HG SER A 153 -4.755 13.720 17.043 1.00 4.37 H new ATOM 2314 N LYS A 154 -2.821 10.439 16.228 1.00 1.36 N ATOM 2315 CA LYS A 154 -2.348 9.653 17.355 1.00 1.19 C ATOM 2316 C LYS A 154 -1.009 9.004 16.994 1.00 1.33 C ATOM 2317 O LYS A 154 -0.005 9.696 16.834 1.00 1.78 O ATOM 2318 CB LYS A 154 -3.418 8.651 17.794 1.00 1.18 C ATOM 2319 CG LYS A 154 -4.651 9.371 18.344 1.00 2.08 C ATOM 2320 CD LYS A 154 -5.648 8.375 18.938 1.00 2.21 C ATOM 2321 CE LYS A 154 -6.846 9.100 19.554 1.00 2.96 C ATOM 2322 NZ LYS A 154 -7.811 8.125 20.111 1.00 4.34 N ATOM 0 H LYS A 154 -2.585 10.056 15.312 1.00 1.36 H new ATOM 0 HA LYS A 154 -2.169 10.294 18.218 1.00 1.19 H new ATOM 0 HB2 LYS A 154 -3.705 8.026 16.948 1.00 1.18 H new ATOM 0 HB3 LYS A 154 -3.009 7.988 18.557 1.00 1.18 H new ATOM 0 HG2 LYS A 154 -4.348 10.087 19.108 1.00 2.08 H new ATOM 0 HG3 LYS A 154 -5.130 9.939 17.547 1.00 2.08 H new ATOM 0 HD2 LYS A 154 -5.992 7.692 18.161 1.00 2.21 H new ATOM 0 HD3 LYS A 154 -5.154 7.770 19.698 1.00 2.21 H new ATOM 0 HE2 LYS A 154 -6.506 9.774 20.340 1.00 2.96 H new ATOM 0 HE3 LYS A 154 -7.335 9.714 18.798 1.00 2.96 H new ATOM 0 HZ1 LYS A 154 -8.618 8.633 20.525 1.00 4.34 H new ATOM 0 HZ2 LYS A 154 -8.149 7.499 19.352 1.00 4.34 H new ATOM 0 HZ3 LYS A 154 -7.345 7.557 20.847 1.00 4.34 H new ATOM 2336 N LYS A 155 -1.040 7.686 16.878 1.00 1.14 N ATOM 2337 CA LYS A 155 0.155 6.938 16.523 1.00 1.31 C ATOM 2338 C LYS A 155 -0.250 5.570 15.971 1.00 1.23 C ATOM 2339 O LYS A 155 -0.734 4.716 16.711 1.00 1.43 O ATOM 2340 CB LYS A 155 1.112 6.862 17.714 1.00 1.55 C ATOM 2341 CG LYS A 155 0.523 6.005 18.836 1.00 3.46 C ATOM 2342 CD LYS A 155 1.147 6.366 20.186 1.00 4.12 C ATOM 2343 CE LYS A 155 2.629 5.990 20.224 1.00 4.41 C ATOM 2344 NZ LYS A 155 3.192 6.233 21.570 1.00 5.32 N ATOM 0 H LYS A 155 -1.873 7.116 17.023 1.00 1.14 H new ATOM 0 HA LYS A 155 0.705 7.450 15.734 1.00 1.31 H new ATOM 0 HB2 LYS A 155 2.065 6.442 17.393 1.00 1.55 H new ATOM 0 HB3 LYS A 155 1.315 7.866 18.087 1.00 1.55 H new ATOM 0 HG2 LYS A 155 -0.557 6.149 18.880 1.00 3.46 H new ATOM 0 HG3 LYS A 155 0.696 4.950 18.622 1.00 3.46 H new ATOM 0 HD2 LYS A 155 1.035 7.435 20.368 1.00 4.12 H new ATOM 0 HD3 LYS A 155 0.617 5.849 20.986 1.00 4.12 H new ATOM 0 HE2 LYS A 155 2.751 4.940 19.957 1.00 4.41 H new ATOM 0 HE3 LYS A 155 3.177 6.573 19.484 1.00 4.41 H new ATOM 0 HZ1 LYS A 155 4.199 5.972 21.577 1.00 5.32 H new ATOM 0 HZ2 LYS A 155 3.093 7.240 21.811 1.00 5.32 H new ATOM 0 HZ3 LYS A 155 2.680 5.658 22.269 1.00 5.32 H new ATOM 2358 N ILE A 156 -0.037 5.405 14.673 1.00 1.10 N ATOM 2359 CA ILE A 156 -0.355 4.148 14.017 1.00 1.03 C ATOM 2360 C ILE A 156 0.914 3.573 13.384 1.00 0.95 C ATOM 2361 O ILE A 156 1.558 4.229 12.567 1.00 1.10 O ATOM 2362 CB ILE A 156 -1.505 4.337 13.025 1.00 1.15 C ATOM 2363 CG1 ILE A 156 -2.834 4.534 13.758 1.00 1.67 C ATOM 2364 CG2 ILE A 156 -1.565 3.179 12.028 1.00 1.26 C ATOM 2365 CD1 ILE A 156 -3.563 5.778 13.247 1.00 1.80 C ATOM 0 H ILE A 156 0.352 6.121 14.059 1.00 1.10 H new ATOM 0 HA ILE A 156 -0.709 3.418 14.745 1.00 1.03 H new ATOM 0 HB ILE A 156 -1.317 5.245 12.452 1.00 1.15 H new ATOM 0 HG12 ILE A 156 -3.464 3.656 13.618 1.00 1.67 H new ATOM 0 HG13 ILE A 156 -2.652 4.629 14.829 1.00 1.67 H new ATOM 0 HG21 ILE A 156 -2.391 3.338 11.335 1.00 1.26 H new ATOM 0 HG22 ILE A 156 -0.629 3.129 11.472 1.00 1.26 H new ATOM 0 HG23 ILE A 156 -1.718 2.243 12.566 1.00 1.26 H new ATOM 0 HD11 ILE A 156 -4.504 5.895 13.784 1.00 1.80 H new ATOM 0 HD12 ILE A 156 -2.940 6.658 13.411 1.00 1.80 H new ATOM 0 HD13 ILE A 156 -3.765 5.669 12.181 1.00 1.80 H new ATOM 2377 N THR A 157 1.235 2.352 13.786 1.00 0.87 N ATOM 2378 CA THR A 157 2.433 1.692 13.291 1.00 0.90 C ATOM 2379 C THR A 157 2.131 0.234 12.942 1.00 0.79 C ATOM 2380 O THR A 157 1.096 -0.302 13.335 1.00 0.72 O ATOM 2381 CB THR A 157 3.530 1.850 14.345 1.00 1.10 C ATOM 2382 OG1 THR A 157 3.023 1.153 15.480 1.00 1.39 O ATOM 2383 CG2 THR A 157 3.673 3.295 14.829 1.00 1.36 C ATOM 0 H THR A 157 0.687 1.802 14.448 1.00 0.87 H new ATOM 0 HA THR A 157 2.784 2.150 12.366 1.00 0.90 H new ATOM 0 HB THR A 157 4.480 1.509 13.934 1.00 1.10 H new ATOM 0 HG1 THR A 157 3.673 1.203 16.212 1.00 1.39 H new ATOM 0 HG21 THR A 157 4.465 3.352 15.576 1.00 1.36 H new ATOM 0 HG22 THR A 157 3.923 3.938 13.985 1.00 1.36 H new ATOM 0 HG23 THR A 157 2.733 3.625 15.271 1.00 1.36 H new ATOM 2391 N ILE A 158 3.054 -0.368 12.205 1.00 0.88 N ATOM 2392 CA ILE A 158 2.944 -1.778 11.872 1.00 0.84 C ATOM 2393 C ILE A 158 3.608 -2.611 12.970 1.00 0.88 C ATOM 2394 O ILE A 158 4.760 -2.367 13.328 1.00 0.97 O ATOM 2395 CB ILE A 158 3.505 -2.043 10.474 1.00 0.93 C ATOM 2396 CG1 ILE A 158 2.727 -1.262 9.413 1.00 1.07 C ATOM 2397 CG2 ILE A 158 3.538 -3.543 10.171 1.00 1.02 C ATOM 2398 CD1 ILE A 158 3.472 -1.260 8.077 1.00 1.33 C ATOM 0 H ILE A 158 3.881 0.096 11.829 1.00 0.88 H new ATOM 0 HA ILE A 158 1.897 -2.080 11.833 1.00 0.84 H new ATOM 0 HB ILE A 158 4.534 -1.686 10.447 1.00 0.93 H new ATOM 0 HG12 ILE A 158 1.739 -1.704 9.282 1.00 1.07 H new ATOM 0 HG13 ILE A 158 2.575 -0.237 9.750 1.00 1.07 H new ATOM 0 HG21 ILE A 158 3.941 -3.703 9.171 1.00 1.02 H new ATOM 0 HG22 ILE A 158 4.169 -4.048 10.902 1.00 1.02 H new ATOM 0 HG23 ILE A 158 2.527 -3.947 10.224 1.00 1.02 H new ATOM 0 HD11 ILE A 158 2.897 -0.698 7.341 1.00 1.33 H new ATOM 0 HD12 ILE A 158 4.449 -0.795 8.206 1.00 1.33 H new ATOM 0 HD13 ILE A 158 3.601 -2.285 7.731 1.00 1.33 H new ATOM 2410 N ALA A 159 2.855 -3.577 13.473 1.00 0.90 N ATOM 2411 CA ALA A 159 3.344 -4.425 14.547 1.00 0.99 C ATOM 2412 C ALA A 159 4.293 -5.477 13.968 1.00 1.04 C ATOM 2413 O ALA A 159 5.439 -5.592 14.401 1.00 1.17 O ATOM 2414 CB ALA A 159 2.159 -5.051 15.284 1.00 1.03 C ATOM 0 H ALA A 159 1.909 -3.792 13.157 1.00 0.90 H new ATOM 0 HA ALA A 159 3.906 -3.838 15.274 1.00 0.99 H new ATOM 0 HB1 ALA A 159 2.526 -5.687 16.089 1.00 1.03 H new ATOM 0 HB2 ALA A 159 1.532 -4.263 15.701 1.00 1.03 H new ATOM 0 HB3 ALA A 159 1.573 -5.650 14.587 1.00 1.03 H new ATOM 2420 N ASP A 160 3.780 -6.221 12.998 1.00 0.98 N ATOM 2421 CA ASP A 160 4.550 -7.291 12.387 1.00 1.07 C ATOM 2422 C ASP A 160 4.020 -7.554 10.978 1.00 0.86 C ATOM 2423 O ASP A 160 2.905 -7.158 10.645 1.00 0.76 O ATOM 2424 CB ASP A 160 4.423 -8.587 13.191 1.00 1.29 C ATOM 2425 CG ASP A 160 5.176 -8.598 14.524 1.00 1.76 C ATOM 2426 OD1 ASP A 160 6.423 -8.670 14.471 1.00 2.73 O ATOM 2427 OD2 ASP A 160 4.486 -8.534 15.565 1.00 2.73 O ATOM 0 H ASP A 160 2.840 -6.103 12.620 1.00 0.98 H new ATOM 0 HA ASP A 160 5.595 -6.983 12.361 1.00 1.07 H new ATOM 0 HB2 ASP A 160 3.367 -8.774 13.386 1.00 1.29 H new ATOM 0 HB3 ASP A 160 4.785 -9.413 12.579 1.00 1.29 H new ATOM 2432 N CYS A 161 4.845 -8.225 10.185 1.00 0.91 N ATOM 2433 CA CYS A 161 4.464 -8.567 8.826 1.00 0.79 C ATOM 2434 C CYS A 161 5.471 -9.584 8.287 1.00 0.69 C ATOM 2435 O CYS A 161 6.582 -9.696 8.802 1.00 0.94 O ATOM 2436 CB CYS A 161 4.371 -7.328 7.935 1.00 1.14 C ATOM 2437 SG CYS A 161 5.905 -6.340 8.073 1.00 1.63 S ATOM 0 H CYS A 161 5.776 -8.540 10.459 1.00 0.91 H new ATOM 0 HA CYS A 161 3.467 -9.008 8.825 1.00 0.79 H new ATOM 0 HB2 CYS A 161 4.213 -7.626 6.899 1.00 1.14 H new ATOM 0 HB3 CYS A 161 3.512 -6.724 8.227 1.00 1.14 H new ATOM 0 HG CYS A 161 5.730 -5.185 7.502 1.00 1.63 H new ATOM 2443 N GLY A 162 5.047 -10.299 7.256 1.00 0.74 N ATOM 2444 CA GLY A 162 5.902 -11.298 6.635 1.00 1.16 C ATOM 2445 C GLY A 162 5.287 -11.814 5.333 1.00 1.04 C ATOM 2446 O GLY A 162 5.097 -11.050 4.386 1.00 1.86 O ATOM 0 H GLY A 162 4.123 -10.207 6.834 1.00 0.74 H new ATOM 0 HA2 GLY A 162 6.883 -10.867 6.432 1.00 1.16 H new ATOM 0 HA3 GLY A 162 6.055 -12.129 7.323 1.00 1.16 H new ATOM 2450 N GLN A 163 4.992 -13.106 5.326 1.00 0.86 N ATOM 2451 CA GLN A 163 4.346 -13.719 4.178 1.00 0.79 C ATOM 2452 C GLN A 163 3.619 -14.998 4.599 1.00 0.87 C ATOM 2453 O GLN A 163 4.047 -15.682 5.528 1.00 1.06 O ATOM 2454 CB GLN A 163 5.357 -14.005 3.067 1.00 1.01 C ATOM 2455 CG GLN A 163 6.016 -15.372 3.264 1.00 1.89 C ATOM 2456 CD GLN A 163 7.130 -15.596 2.239 1.00 2.10 C ATOM 2457 OE1 GLN A 163 7.302 -14.842 1.295 1.00 2.14 O ATOM 2458 NE2 GLN A 163 7.875 -16.671 2.476 1.00 3.20 N ATOM 0 H GLN A 163 5.188 -13.745 6.097 1.00 0.86 H new ATOM 0 HA GLN A 163 3.611 -13.018 3.783 1.00 0.79 H new ATOM 0 HB2 GLN A 163 4.857 -13.974 2.099 1.00 1.01 H new ATOM 0 HB3 GLN A 163 6.121 -13.227 3.056 1.00 1.01 H new ATOM 0 HG2 GLN A 163 6.425 -15.441 4.272 1.00 1.89 H new ATOM 0 HG3 GLN A 163 5.267 -16.158 3.170 1.00 1.89 H new ATOM 0 HE21 GLN A 163 7.677 -17.260 3.285 1.00 3.20 H new ATOM 0 HE22 GLN A 163 8.644 -16.907 1.849 1.00 3.20 H new ATOM 2467 N LEU A 164 2.531 -15.282 3.897 1.00 0.86 N ATOM 2468 CA LEU A 164 1.762 -16.486 4.162 1.00 1.04 C ATOM 2469 C LEU A 164 1.987 -17.489 3.030 1.00 1.26 C ATOM 2470 O LEU A 164 1.576 -17.252 1.895 1.00 1.55 O ATOM 2471 CB LEU A 164 0.290 -16.140 4.394 1.00 1.02 C ATOM 2472 CG LEU A 164 -0.022 -15.354 5.669 1.00 0.92 C ATOM 2473 CD1 LEU A 164 -1.468 -14.855 5.666 1.00 1.06 C ATOM 2474 CD2 LEU A 164 0.297 -16.182 6.915 1.00 1.00 C ATOM 0 H LEU A 164 2.164 -14.699 3.145 1.00 0.86 H new ATOM 0 HA LEU A 164 2.103 -16.962 5.082 1.00 1.04 H new ATOM 0 HB2 LEU A 164 -0.066 -15.564 3.540 1.00 1.02 H new ATOM 0 HB3 LEU A 164 -0.282 -17.068 4.414 1.00 1.02 H new ATOM 0 HG LEU A 164 0.621 -14.474 5.694 1.00 0.92 H new ATOM 0 HD11 LEU A 164 -1.663 -14.300 6.583 1.00 1.06 H new ATOM 0 HD12 LEU A 164 -1.626 -14.203 4.807 1.00 1.06 H new ATOM 0 HD13 LEU A 164 -2.146 -15.706 5.606 1.00 1.06 H new ATOM 0 HD21 LEU A 164 0.066 -15.600 7.807 1.00 1.00 H new ATOM 0 HD22 LEU A 164 -0.303 -17.092 6.910 1.00 1.00 H new ATOM 0 HD23 LEU A 164 1.355 -16.444 6.916 1.00 1.00 H new ATOM 2486 N GLU A 165 2.640 -18.588 3.377 1.00 1.69 N ATOM 2487 CA GLU A 165 2.916 -19.633 2.406 1.00 2.05 C ATOM 2488 C GLU A 165 1.744 -20.615 2.334 1.00 2.81 C ATOM 2489 O GLU A 165 1.217 -20.880 1.255 1.00 3.46 O ATOM 2490 CB GLU A 165 4.220 -20.360 2.739 1.00 2.73 C ATOM 2491 CG GLU A 165 5.418 -19.414 2.635 1.00 3.44 C ATOM 2492 CD GLU A 165 5.683 -19.024 1.180 1.00 4.23 C ATOM 2493 OE1 GLU A 165 6.344 -19.827 0.488 1.00 4.86 O ATOM 2494 OE2 GLU A 165 5.218 -17.929 0.792 1.00 5.16 O ATOM 0 H GLU A 165 2.986 -18.778 4.318 1.00 1.69 H new ATOM 0 HA GLU A 165 3.036 -19.169 1.427 1.00 2.05 H new ATOM 0 HB2 GLU A 165 4.164 -20.772 3.747 1.00 2.73 H new ATOM 0 HB3 GLU A 165 4.356 -21.201 2.058 1.00 2.73 H new ATOM 0 HG2 GLU A 165 5.231 -18.518 3.227 1.00 3.44 H new ATOM 0 HG3 GLU A 165 6.303 -19.894 3.054 1.00 3.44 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -7.139 18.121 -4.044 1.00 1.21 N HETATM 2503 CA DAL B 201 -8.003 17.128 -4.658 1.00 1.06 C HETATM 2504 CB DAL B 201 -9.465 17.474 -4.368 1.00 1.12 C HETATM 2505 C DAL B 201 -7.621 15.737 -4.147 1.00 0.87 C HETATM 2506 O DAL B 201 -6.927 15.612 -3.139 1.00 0.91 O HETATM 0 HB3 DAL B 201 -9.630 17.482 -3.291 1.00 1.12 H new HETATM 0 HB2 DAL B 201 -9.694 18.458 -4.778 1.00 1.12 H new HETATM 0 HB1 DAL B 201 -10.114 16.729 -4.829 1.00 1.12 H new HETATM 0 HA DAL B 201 -7.876 17.127 -5.741 1.00 1.06 H new HETATM 0 H DAL B 201 -7.545 18.895 -3.519 1.00 1.21 H new HETATM 2512 N MLE B 202 -8.090 14.728 -4.866 1.00 0.80 N HETATM 2513 CN MLE B 202 -8.944 14.924 -6.449 1.00 0.98 C HETATM 2514 CA MLE B 202 -7.942 13.356 -4.413 1.00 0.75 C HETATM 2515 CB MLE B 202 -9.303 12.765 -4.038 1.00 0.76 C HETATM 2516 CG MLE B 202 -10.218 13.666 -3.205 1.00 0.94 C HETATM 2517 CD1 MLE B 202 -11.598 13.032 -3.027 1.00 1.97 C HETATM 2518 CD2 MLE B 202 -9.570 14.013 -1.863 1.00 1.06 C HETATM 2519 C MLE B 202 -7.194 12.550 -5.477 1.00 0.81 C HETATM 2520 O MLE B 202 -7.765 11.652 -6.096 1.00 0.90 O HETATM 0 HD23 MLE B 202 -9.378 13.097 -1.304 1.00 1.06 H new HETATM 0 HD22 MLE B 202 -8.629 14.535 -2.037 1.00 1.06 H new HETATM 0 HD21 MLE B 202 -10.240 14.654 -1.290 1.00 1.06 H new HETATM 0 HD13 MLE B 202 -12.056 12.877 -4.004 1.00 1.97 H new HETATM 0 HD12 MLE B 202 -11.495 12.073 -2.518 1.00 1.97 H new HETATM 0 HD11 MLE B 202 -12.228 13.693 -2.432 1.00 1.97 H new HETATM 0 HN3 MLE B 202 -8.393 14.397 -7.228 1.00 0.98 H new HETATM 0 HN2 MLE B 202 -9.950 14.511 -6.373 1.00 0.98 H new HETATM 0 HN1 MLE B 202 -9.005 15.983 -6.701 1.00 0.98 H new HETATM 0 HG MLE B 202 -10.361 14.601 -3.746 1.00 0.94 H new HETATM 0 HB3 MLE B 202 -9.827 12.498 -4.956 1.00 0.76 H new HETATM 0 HB2 MLE B 202 -9.136 11.840 -3.486 1.00 0.76 H new HETATM 0 HA MLE B 202 -7.343 13.318 -3.503 1.00 0.75 H new HETATM 2531 N MLE B 203 -5.929 12.899 -5.659 1.00 0.82 N HETATM 2532 CN MLE B 203 -5.144 14.312 -4.846 1.00 0.83 C HETATM 2533 CA MLE B 203 -5.065 12.145 -6.551 1.00 0.90 C HETATM 2534 CB MLE B 203 -4.321 13.086 -7.499 1.00 0.87 C HETATM 2535 CG MLE B 203 -5.185 14.096 -8.257 1.00 0.86 C HETATM 2536 CD1 MLE B 203 -4.388 14.767 -9.378 1.00 0.88 C HETATM 2537 CD2 MLE B 203 -6.465 13.438 -8.778 1.00 0.87 C HETATM 2538 C MLE B 203 -4.142 11.250 -5.722 1.00 1.00 C HETATM 2539 O MLE B 203 -3.946 11.487 -4.531 1.00 1.04 O HETATM 0 HD23 MLE B 203 -6.206 12.623 -9.453 1.00 0.87 H new HETATM 0 HD22 MLE B 203 -7.040 13.046 -7.939 1.00 0.87 H new HETATM 0 HD21 MLE B 203 -7.062 14.177 -9.313 1.00 0.87 H new HETATM 0 HD13 MLE B 203 -3.531 15.290 -8.953 1.00 0.88 H new HETATM 0 HD12 MLE B 203 -4.039 14.010 -10.080 1.00 0.88 H new HETATM 0 HD11 MLE B 203 -5.025 15.480 -9.901 1.00 0.88 H new HETATM 0 HN3 MLE B 203 -4.303 13.965 -4.246 1.00 0.83 H new HETATM 0 HN2 MLE B 203 -4.787 15.013 -5.600 1.00 0.83 H new HETATM 0 HN1 MLE B 203 -5.869 14.810 -4.202 1.00 0.83 H new HETATM 0 HG MLE B 203 -5.485 14.880 -7.562 1.00 0.86 H new HETATM 0 HB3 MLE B 203 -3.576 13.635 -6.923 1.00 0.87 H new HETATM 0 HB2 MLE B 203 -3.780 12.482 -8.227 1.00 0.87 H new HETATM 0 HA MLE B 203 -5.656 11.489 -7.190 1.00 0.90 H new HETATM 2550 N MVA B 204 -3.597 10.240 -6.386 1.00 1.11 N HETATM 2551 CN MVA B 204 -3.745 10.007 -8.175 1.00 1.22 C HETATM 2552 CA MVA B 204 -2.824 9.222 -5.696 1.00 1.26 C HETATM 2553 CB MVA B 204 -3.604 7.907 -5.659 1.00 1.53 C HETATM 2554 CG1 MVA B 204 -2.704 6.747 -5.229 1.00 2.18 C HETATM 2555 CG2 MVA B 204 -4.827 8.021 -4.745 1.00 1.05 C HETATM 2556 C MVA B 204 -1.456 9.086 -6.367 1.00 1.21 C HETATM 2557 O MVA B 204 -1.261 8.219 -7.219 1.00 1.30 O HETATM 0 HG23 MVA B 204 -4.503 8.264 -3.733 1.00 1.05 H new HETATM 0 HG22 MVA B 204 -5.485 8.808 -5.114 1.00 1.05 H new HETATM 0 HG21 MVA B 204 -5.364 7.073 -4.736 1.00 1.05 H new HETATM 0 HG13 MVA B 204 -1.880 6.644 -5.935 1.00 2.18 H new HETATM 0 HG12 MVA B 204 -2.306 6.945 -4.234 1.00 2.18 H new HETATM 0 HG11 MVA B 204 -3.284 5.824 -5.211 1.00 2.18 H new HETATM 0 HN3 MVA B 204 -2.753 10.010 -8.626 1.00 1.22 H new HETATM 0 HN2 MVA B 204 -4.233 9.054 -8.379 1.00 1.22 H new HETATM 0 HN1 MVA B 204 -4.339 10.816 -8.599 1.00 1.22 H new HETATM 0 HB MVA B 204 -3.958 7.699 -6.669 1.00 1.53 H new HETATM 0 HA MVA B 204 -2.652 9.511 -4.659 1.00 1.26 H new HETATM 2566 N BMT B 205 -0.555 10.058 -6.087 1.00 1.12 N HETATM 2567 CN BMT B 205 -0.702 11.044 -4.577 1.00 1.16 C HETATM 2568 CA BMT B 205 0.757 10.085 -6.711 1.00 1.15 C HETATM 2569 C BMT B 205 1.844 9.765 -5.683 1.00 1.29 C HETATM 2570 O BMT B 205 1.553 9.231 -4.613 1.00 1.48 O HETATM 2571 CB BMT B 205 0.936 11.448 -7.381 1.00 1.05 C HETATM 2572 OG1 BMT B 205 0.843 12.378 -6.305 1.00 1.09 O HETATM 2573 CG2 BMT B 205 -0.239 11.813 -8.291 1.00 1.03 C HETATM 2574 CD1 BMT B 205 -0.432 10.742 -9.366 1.00 1.31 C HETATM 2575 CD2 BMT B 205 -0.217 13.183 -8.819 1.00 1.30 C HETATM 2576 CE BMT B 205 1.050 13.680 -9.327 1.00 1.10 C HETATM 2577 CZ BMT B 205 1.495 13.793 -10.514 1.00 1.81 C HETATM 2578 CH BMT B 205 2.842 14.249 -11.018 1.00 1.78 C HETATM 0 HD23 BMT B 205 -0.951 13.247 -9.622 1.00 1.30 H new HETATM 0 HD22 BMT B 205 -0.550 13.855 -8.028 1.00 1.30 H new HETATM 0 HD13 BMT B 205 0.473 10.664 -9.969 1.00 1.31 H new HETATM 0 HD12 BMT B 205 -0.635 9.782 -8.891 1.00 1.31 H new HETATM 0 HD11 BMT B 205 -1.271 11.015 -10.005 1.00 1.31 H new HETATM 0 HZ BMT B 205 0.787 13.515 -11.294 1.00 1.81 H new HETATM 0 HN3 BMT B 205 0.005 10.678 -3.833 1.00 1.16 H new HETATM 0 HN2 BMT B 205 -0.484 12.088 -4.802 1.00 1.16 H new HETATM 0 HN1 BMT B 205 -1.716 10.961 -4.185 1.00 1.16 H new HETATM 0 HH3 BMT B 205 3.028 15.271 -10.687 1.00 1.78 H new HETATM 0 HH2 BMT B 205 3.619 13.593 -10.625 1.00 1.78 H new HETATM 0 HH1 BMT B 205 2.854 14.213 -12.107 1.00 1.78 H new HETATM 0 HG2 BMT B 205 -1.127 11.821 -7.659 1.00 1.03 H new HETATM 0 HG1 BMT B 205 -0.020 12.840 -6.345 1.00 1.09 H new HETATM 0 HE BMT B 205 1.742 14.016 -8.555 1.00 1.10 H new HETATM 0 HB BMT B 205 1.858 11.448 -7.962 1.00 1.05 H new HETATM 0 HA BMT B 205 0.844 9.317 -7.479 1.00 1.15 H new HETATM 2593 N ABA B 206 3.073 10.107 -6.042 1.00 1.27 N HETATM 2594 CA ABA B 206 4.204 9.863 -5.163 1.00 1.38 C HETATM 2595 C ABA B 206 5.339 10.840 -5.473 1.00 1.49 C HETATM 2596 O ABA B 206 6.326 10.470 -6.110 1.00 1.63 O HETATM 2597 CB ABA B 206 4.608 8.395 -5.307 1.00 1.48 C HETATM 2598 CG ABA B 206 4.662 7.944 -6.768 1.00 2.26 C HETATM 0 HG3 ABA B 206 5.391 8.547 -7.308 1.00 2.26 H new HETATM 0 HG2 ABA B 206 3.680 8.068 -7.224 1.00 2.26 H new HETATM 0 HG1 ABA B 206 4.954 6.895 -6.814 1.00 2.26 H new HETATM 0 HB3 ABA B 206 3.899 7.771 -4.763 1.00 1.48 H new HETATM 0 HB2 ABA B 206 5.584 8.243 -4.847 1.00 1.48 H new HETATM 0 HA ABA B 206 3.940 10.040 -4.120 1.00 1.38 H new HETATM 0 H ABA B 206 3.120 10.850 -6.740 1.00 1.27 H new HETATM 2606 N SAR B 207 5.165 12.069 -5.010 1.00 1.48 N HETATM 2607 CA SAR B 207 6.156 13.145 -5.294 1.00 1.66 C HETATM 2608 C SAR B 207 5.782 14.618 -5.054 1.00 1.63 C HETATM 2609 O SAR B 207 6.483 15.475 -4.537 1.00 1.84 O HETATM 2610 CN SAR B 207 3.645 12.360 -4.008 1.00 1.30 C HETATM 0 HN3 SAR B 207 3.926 12.694 -3.009 1.00 1.30 H new HETATM 0 HN2 SAR B 207 3.034 13.125 -4.487 1.00 1.30 H new HETATM 0 HN1 SAR B 207 3.075 11.434 -3.934 1.00 1.30 H new HETATM 0 HA3 SAR B 207 7.043 12.934 -4.697 1.00 1.66 H new HETATM 0 HA2 SAR B 207 6.446 13.051 -6.340 1.00 1.66 H new HETATM 2613 N MLE B 208 4.569 14.961 -5.459 1.00 1.39 N HETATM 2614 CN MLE B 208 3.280 14.125 -6.417 1.00 1.17 C HETATM 2615 CA MLE B 208 4.234 16.306 -5.022 1.00 1.41 C HETATM 2616 CB MLE B 208 4.903 17.344 -5.924 1.00 1.52 C HETATM 2617 CG MLE B 208 4.884 17.041 -7.424 1.00 2.51 C HETATM 2618 CD1 MLE B 208 5.724 15.803 -7.743 1.00 4.33 C HETATM 2619 CD2 MLE B 208 3.451 16.909 -7.940 1.00 2.91 C HETATM 2620 C MLE B 208 2.712 16.448 -4.943 1.00 1.20 C HETATM 2621 O MLE B 208 2.114 17.189 -5.721 1.00 1.18 O HETATM 0 HD23 MLE B 208 2.948 16.097 -7.414 1.00 2.91 H new HETATM 0 HD22 MLE B 208 2.914 17.842 -7.766 1.00 2.91 H new HETATM 0 HD21 MLE B 208 3.467 16.694 -9.008 1.00 2.91 H new HETATM 0 HD13 MLE B 208 6.755 15.973 -7.434 1.00 4.33 H new HETATM 0 HD12 MLE B 208 5.322 14.943 -7.208 1.00 4.33 H new HETATM 0 HD11 MLE B 208 5.694 15.609 -8.815 1.00 4.33 H new HETATM 0 HN3 MLE B 208 2.376 14.041 -5.815 1.00 1.17 H new HETATM 0 HN2 MLE B 208 3.064 14.701 -7.317 1.00 1.17 H new HETATM 0 HN1 MLE B 208 3.623 13.129 -6.697 1.00 1.17 H new HETATM 0 HG MLE B 208 5.337 17.883 -7.948 1.00 2.51 H new HETATM 0 HB3 MLE B 208 4.416 18.305 -5.761 1.00 1.52 H new HETATM 0 HB2 MLE B 208 5.941 17.455 -5.609 1.00 1.52 H new HETATM 0 HA MLE B 208 4.624 16.490 -4.021 1.00 1.41 H new ATOM 2632 N VAL B 209 2.131 15.726 -3.997 1.00 1.32 N ATOM 2633 CA VAL B 209 0.683 15.655 -3.892 1.00 1.16 C ATOM 2634 C VAL B 209 0.108 17.073 -3.878 1.00 1.19 C ATOM 2635 O VAL B 209 0.613 17.945 -3.173 1.00 1.42 O ATOM 2636 CB VAL B 209 0.287 14.837 -2.663 1.00 1.32 C ATOM 2637 CG1 VAL B 209 -1.235 14.726 -2.545 1.00 1.18 C ATOM 2638 CG2 VAL B 209 0.937 13.452 -2.692 1.00 1.43 C ATOM 0 H VAL B 209 2.636 15.185 -3.296 1.00 1.32 H new ATOM 0 HA VAL B 209 0.262 15.141 -4.756 1.00 1.16 H new ATOM 0 HB VAL B 209 0.654 15.361 -1.780 1.00 1.32 H new ATOM 0 HG11 VAL B 209 -1.490 14.139 -1.662 1.00 1.18 H new ATOM 0 HG12 VAL B 209 -1.667 15.723 -2.455 1.00 1.18 H new ATOM 0 HG13 VAL B 209 -1.634 14.237 -3.434 1.00 1.18 H new ATOM 0 HG21 VAL B 209 0.638 12.891 -1.806 1.00 1.43 H new ATOM 0 HG22 VAL B 209 0.615 12.917 -3.586 1.00 1.43 H new ATOM 0 HG23 VAL B 209 2.022 13.559 -2.705 1.00 1.43 H new HETATM 2648 N MLE B 210 -0.942 17.259 -4.664 1.00 1.06 N HETATM 2649 CN MLE B 210 -1.650 15.976 -5.727 1.00 0.84 C HETATM 2650 CA MLE B 210 -1.612 18.547 -4.726 1.00 1.23 C HETATM 2651 CB MLE B 210 -1.580 19.100 -6.151 1.00 1.29 C HETATM 2652 CG MLE B 210 -0.262 18.923 -6.910 1.00 1.28 C HETATM 2653 CD1 MLE B 210 -0.452 19.176 -8.406 1.00 1.43 C HETATM 2654 CD2 MLE B 210 0.837 19.806 -6.314 1.00 1.44 C HETATM 2655 C MLE B 210 -3.024 18.409 -4.152 1.00 1.26 C HETATM 2656 O MLE B 210 -3.376 17.367 -3.602 1.00 1.15 O HETATM 0 HD23 MLE B 210 0.536 20.852 -6.375 1.00 1.44 H new HETATM 0 HD22 MLE B 210 0.996 19.535 -5.270 1.00 1.44 H new HETATM 0 HD21 MLE B 210 1.762 19.661 -6.871 1.00 1.44 H new HETATM 0 HD13 MLE B 210 -1.182 18.471 -8.804 1.00 1.43 H new HETATM 0 HD12 MLE B 210 -0.810 20.194 -8.560 1.00 1.43 H new HETATM 0 HD11 MLE B 210 0.499 19.044 -8.921 1.00 1.43 H new HETATM 0 HN3 MLE B 210 -2.688 15.801 -5.444 1.00 0.84 H new HETATM 0 HN2 MLE B 210 -1.607 16.300 -6.767 1.00 0.84 H new HETATM 0 HN1 MLE B 210 -1.082 15.053 -5.611 1.00 0.84 H new HETATM 0 HG MLE B 210 0.060 17.888 -6.797 1.00 1.28 H new HETATM 0 HB3 MLE B 210 -2.373 18.620 -6.724 1.00 1.29 H new HETATM 0 HB2 MLE B 210 -1.814 20.164 -6.112 1.00 1.29 H new HETATM 0 HA MLE B 210 -1.087 19.280 -4.113 1.00 1.23 H new ATOM 2667 N ALA B 211 -3.795 19.477 -4.301 1.00 1.45 N ATOM 2668 CA ALA B 211 -5.165 19.485 -3.815 1.00 1.51 C ATOM 2669 C ALA B 211 -5.985 18.459 -4.600 1.00 1.28 C ATOM 2670 O ALA B 211 -5.566 18.007 -5.665 1.00 1.25 O ATOM 2671 CB ALA B 211 -5.738 20.898 -3.926 1.00 1.81 C ATOM 0 H ALA B 211 -3.497 20.342 -4.751 1.00 1.45 H new ATOM 0 HA ALA B 211 -5.201 19.201 -2.763 1.00 1.51 H new ATOM 0 HB1 ALA B 211 -6.765 20.904 -3.562 1.00 1.81 H new ATOM 0 HB2 ALA B 211 -5.137 21.582 -3.328 1.00 1.81 H new ATOM 0 HB3 ALA B 211 -5.721 21.217 -4.968 1.00 1.81 H new TER 2677 ALA B 211