USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1091 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 TYR OH : rot 145:sc= 0.0405 USER MOD Set 1.2: A 95 GLN : amide:sc= -2.69 X(o=-7,f=-7.2) USER MOD Set 1.3: A 125 THR OG1 : rot -40:sc= -4.38! USER MOD Set 2.1: A 85 GLN : amide:sc= 0 X(o=0.059,f=0.059) USER MOD Set 2.2: A 87 SER OG : rot 22:sc= 0.0594 USER MOD Set 3.1: A 11 TYR OH : rot 58:sc= -0.868 USER MOD Set 3.2: A 45 THR OG1 : rot -160:sc= 1.65 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0617 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 6 GLN : amide:sc= -0.0294 K(o=-0.029,f=-1.5!) USER MOD Single : A 7 SER OG : rot 158:sc= 0.661 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0513 X(o=-0.051,f=-0.027) USER MOD Single : A 21 HIS : no HD1:sc=-0.000611 X(o=-0.00061,f=-0.091) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.505 K(o=-0.5,f=-1.7) USER MOD Single : A 29 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.14) USER MOD Single : A 30 ASN : amide:sc= -2.12 K(o=-2.1,f=-7!) USER MOD Single : A 31 CYS SG : rot 46:sc= -1.73 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.63! C(o=-1.6!,f=-2.9!) USER MOD Single : A 43 SER OG : rot -138:sc= 0.0706 USER MOD Single : A 44 THR OG1 : rot 20:sc= 0.375! USER MOD Single : A 46 THR OG1 : rot -50:sc= 0.69 USER MOD Single : A 48 HIS : no HD1:sc= -0.0966 X(o=-0.097,f=-0.36) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 8:sc= 0.621! USER MOD Single : A 63 TYR OH : rot -34:sc= 0.00738 USER MOD Single : A 65 CYS SG : rot 45:sc= 0.855 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.0404 F(o=-0.82,f=-0.04) USER MOD Single : A 72 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 75 SER OG : rot 180:sc= -0.915 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 148:sc= -0.414 (180deg=-0.694) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -173:sc= -1.05 USER MOD Single : A 97 HIS : no HD1:sc= -0.211 X(o=-0.21,f=0.04) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 118 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-2.3) USER MOD Single : A 126 MET CE :methyl -171:sc= -0.134 (180deg=-0.24) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.130 -8.366 16.632 1.00 0.00 N ATOM 2 CA GLY A 1 10.790 -7.919 17.101 1.00 0.00 C ATOM 3 C GLY A 1 10.110 -6.989 16.114 1.00 0.00 C ATOM 4 O GLY A 1 10.770 -6.404 15.254 1.00 0.00 O ATOM 0 H1 GLY A 1 12.073 -9.352 16.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.443 -7.760 15.847 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.812 -8.299 17.414 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.158 -8.791 17.269 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.895 -7.412 18.060 1.00 0.00 H new ATOM 10 N PRO A 2 8.779 -6.829 16.211 1.00 0.00 N ATOM 11 CA PRO A 2 8.021 -5.956 15.310 1.00 0.00 C ATOM 12 C PRO A 2 8.311 -4.479 15.555 1.00 0.00 C ATOM 13 O PRO A 2 7.847 -3.899 16.536 1.00 0.00 O ATOM 14 CB PRO A 2 6.563 -6.277 15.646 1.00 0.00 C ATOM 15 CG PRO A 2 6.599 -6.770 17.051 1.00 0.00 C ATOM 16 CD PRO A 2 7.911 -7.487 17.205 1.00 0.00 C ATOM 0 HA PRO A 2 8.279 -6.127 14.265 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.931 -5.394 15.552 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.158 -7.032 14.972 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.521 -5.943 17.757 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.763 -7.440 17.251 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.308 -7.386 18.215 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.811 -8.554 17.007 1.00 0.00 H new ATOM 24 N TYR A 3 9.083 -3.876 14.656 1.00 0.00 N ATOM 25 CA TYR A 3 9.435 -2.466 14.773 1.00 0.00 C ATOM 26 C TYR A 3 8.292 -1.577 14.294 1.00 0.00 C ATOM 27 O TYR A 3 7.858 -1.673 13.146 1.00 0.00 O ATOM 28 CB TYR A 3 10.704 -2.167 13.970 1.00 0.00 C ATOM 29 CG TYR A 3 11.711 -1.324 14.719 1.00 0.00 C ATOM 30 CD1 TYR A 3 12.236 -1.750 15.932 1.00 0.00 C ATOM 31 CD2 TYR A 3 12.136 -0.102 14.212 1.00 0.00 C ATOM 32 CE1 TYR A 3 13.156 -0.982 16.620 1.00 0.00 C ATOM 33 CE2 TYR A 3 13.057 0.671 14.894 1.00 0.00 C ATOM 34 CZ TYR A 3 13.564 0.226 16.096 1.00 0.00 C ATOM 35 OH TYR A 3 14.481 0.994 16.778 1.00 0.00 O ATOM 0 H TYR A 3 9.476 -4.342 13.839 1.00 0.00 H new ATOM 0 HA TYR A 3 9.621 -2.250 15.825 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.173 -3.108 13.684 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.428 -1.655 13.048 1.00 0.00 H new ATOM 0 HD1 TYR A 3 11.920 -2.697 16.344 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.741 0.249 13.270 1.00 0.00 H new ATOM 0 HE1 TYR A 3 13.553 -1.326 17.563 1.00 0.00 H new ATOM 0 HE2 TYR A 3 13.378 1.619 14.487 1.00 0.00 H new ATOM 0 HH TYR A 3 14.662 1.814 16.272 1.00 0.00 H new ATOM 45 N GLY A 4 7.808 -0.714 15.181 1.00 0.00 N ATOM 46 CA GLY A 4 6.719 0.178 14.829 1.00 0.00 C ATOM 47 C GLY A 4 6.930 1.587 15.349 1.00 0.00 C ATOM 48 O GLY A 4 6.918 1.817 16.558 1.00 0.00 O ATOM 0 H GLY A 4 8.150 -0.616 16.137 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.613 0.207 13.745 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.786 -0.218 15.230 1.00 0.00 H new ATOM 52 N HIS A 5 7.123 2.530 14.433 1.00 0.00 N ATOM 53 CA HIS A 5 7.336 3.924 14.806 1.00 0.00 C ATOM 54 C HIS A 5 6.142 4.783 14.403 1.00 0.00 C ATOM 55 O HIS A 5 5.563 5.487 15.231 1.00 0.00 O ATOM 56 CB HIS A 5 8.610 4.460 14.147 1.00 0.00 C ATOM 57 CG HIS A 5 9.825 4.344 15.015 1.00 0.00 C ATOM 58 ND1 HIS A 5 10.763 5.349 15.134 1.00 0.00 N ATOM 59 CD2 HIS A 5 10.255 3.334 15.808 1.00 0.00 C ATOM 60 CE1 HIS A 5 11.716 4.961 15.963 1.00 0.00 C ATOM 61 NE2 HIS A 5 11.432 3.743 16.386 1.00 0.00 N ATOM 0 H HIS A 5 7.136 2.355 13.428 1.00 0.00 H new ATOM 0 HA HIS A 5 7.446 3.972 15.889 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.784 3.918 13.217 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.460 5.507 13.883 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.764 2.384 15.958 1.00 0.00 H new ATOM 0 HE1 HIS A 5 12.581 5.542 16.247 1.00 0.00 H new ATOM 0 HE2 HIS A 5 11.995 3.195 17.036 1.00 0.00 H new ATOM 70 N GLN A 6 5.778 4.720 13.127 1.00 0.00 N ATOM 71 CA GLN A 6 4.651 5.491 12.614 1.00 0.00 C ATOM 72 C GLN A 6 3.832 4.665 11.627 1.00 0.00 C ATOM 73 O GLN A 6 2.606 4.616 11.711 1.00 0.00 O ATOM 74 CB GLN A 6 5.147 6.770 11.937 1.00 0.00 C ATOM 75 CG GLN A 6 6.270 6.534 10.940 1.00 0.00 C ATOM 76 CD GLN A 6 7.001 7.811 10.572 1.00 0.00 C ATOM 77 OE1 GLN A 6 6.755 8.869 11.150 1.00 0.00 O ATOM 78 NE2 GLN A 6 7.906 7.716 9.605 1.00 0.00 N ATOM 0 H GLN A 6 6.247 4.143 12.429 1.00 0.00 H new ATOM 0 HA GLN A 6 4.012 5.758 13.456 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.312 7.247 11.425 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.492 7.466 12.702 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.980 5.821 11.360 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.860 6.081 10.037 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.077 6.818 9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.430 8.541 9.314 1.00 0.00 H new ATOM 87 N SER A 7 4.520 4.018 10.693 1.00 0.00 N ATOM 88 CA SER A 7 3.858 3.192 9.689 1.00 0.00 C ATOM 89 C SER A 7 4.805 2.126 9.150 1.00 0.00 C ATOM 90 O SER A 7 6.020 2.214 9.329 1.00 0.00 O ATOM 91 CB SER A 7 3.343 4.063 8.541 1.00 0.00 C ATOM 92 OG SER A 7 1.986 4.417 8.736 1.00 0.00 O ATOM 0 H SER A 7 5.536 4.049 10.610 1.00 0.00 H new ATOM 0 HA SER A 7 3.013 2.693 10.164 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.950 4.965 8.465 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.450 3.527 7.598 1.00 0.00 H new ATOM 0 HG SER A 7 1.782 5.226 8.222 1.00 0.00 H new ATOM 98 N GLY A 8 4.242 1.120 8.490 1.00 0.00 N ATOM 99 CA GLY A 8 5.053 0.051 7.936 1.00 0.00 C ATOM 100 C GLY A 8 4.333 -0.717 6.845 1.00 0.00 C ATOM 101 O GLY A 8 3.183 -0.422 6.523 1.00 0.00 O ATOM 0 H GLY A 8 3.239 1.025 8.329 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.975 0.470 7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.337 -0.636 8.733 1.00 0.00 H new ATOM 105 N ALA A 9 5.013 -1.706 6.273 1.00 0.00 N ATOM 106 CA ALA A 9 4.433 -2.520 5.213 1.00 0.00 C ATOM 107 C ALA A 9 3.182 -3.244 5.699 1.00 0.00 C ATOM 108 O ALA A 9 2.723 -3.026 6.819 1.00 0.00 O ATOM 109 CB ALA A 9 5.458 -3.517 4.694 1.00 0.00 C ATOM 0 H ALA A 9 5.967 -1.962 6.527 1.00 0.00 H new ATOM 0 HA ALA A 9 4.142 -1.859 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.012 -4.119 3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.320 -2.980 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.777 -4.168 5.508 1.00 0.00 H new ATOM 115 N VAL A 10 2.636 -4.107 4.848 1.00 0.00 N ATOM 116 CA VAL A 10 1.438 -4.863 5.190 1.00 0.00 C ATOM 117 C VAL A 10 1.764 -6.338 5.415 1.00 0.00 C ATOM 118 O VAL A 10 2.096 -7.058 4.473 1.00 0.00 O ATOM 119 CB VAL A 10 0.370 -4.749 4.085 1.00 0.00 C ATOM 120 CG1 VAL A 10 -0.915 -5.450 4.502 1.00 0.00 C ATOM 121 CG2 VAL A 10 0.105 -3.289 3.750 1.00 0.00 C ATOM 0 H VAL A 10 3.005 -4.300 3.917 1.00 0.00 H new ATOM 0 HA VAL A 10 1.045 -4.435 6.112 1.00 0.00 H new ATOM 0 HB VAL A 10 0.748 -5.243 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.655 -5.357 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.711 -6.505 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.301 -4.991 5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.652 -3.227 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.250 -2.770 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.026 -2.823 3.401 1.00 0.00 H new ATOM 131 N TYR A 11 1.665 -6.786 6.665 1.00 0.00 N ATOM 132 CA TYR A 11 1.949 -8.178 6.998 1.00 0.00 C ATOM 133 C TYR A 11 0.652 -8.973 7.127 1.00 0.00 C ATOM 134 O TYR A 11 -0.167 -8.704 8.005 1.00 0.00 O ATOM 135 CB TYR A 11 2.742 -8.240 8.310 1.00 0.00 C ATOM 136 CG TYR A 11 3.010 -9.643 8.819 1.00 0.00 C ATOM 137 CD1 TYR A 11 1.984 -10.433 9.322 1.00 0.00 C ATOM 138 CD2 TYR A 11 4.297 -10.168 8.808 1.00 0.00 C ATOM 139 CE1 TYR A 11 2.231 -11.708 9.796 1.00 0.00 C ATOM 140 CE2 TYR A 11 4.551 -11.443 9.282 1.00 0.00 C ATOM 141 CZ TYR A 11 3.515 -12.207 9.773 1.00 0.00 C ATOM 142 OH TYR A 11 3.764 -13.475 10.247 1.00 0.00 O ATOM 0 H TYR A 11 1.392 -6.208 7.460 1.00 0.00 H new ATOM 0 HA TYR A 11 2.542 -8.620 6.198 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.695 -7.731 8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.197 -7.688 9.075 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.976 -10.045 9.343 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.111 -9.572 8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.422 -12.310 10.182 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.556 -11.837 9.267 1.00 0.00 H new ATOM 0 HH TYR A 11 3.216 -14.122 9.755 1.00 0.00 H new ATOM 152 N VAL A 12 0.474 -9.955 6.248 1.00 0.00 N ATOM 153 CA VAL A 12 -0.720 -10.792 6.271 1.00 0.00 C ATOM 154 C VAL A 12 -0.371 -12.267 6.463 1.00 0.00 C ATOM 155 O VAL A 12 0.206 -12.899 5.577 1.00 0.00 O ATOM 156 CB VAL A 12 -1.556 -10.618 4.986 1.00 0.00 C ATOM 157 CG1 VAL A 12 -2.833 -11.441 5.059 1.00 0.00 C ATOM 158 CG2 VAL A 12 -1.876 -9.147 4.766 1.00 0.00 C ATOM 0 H VAL A 12 1.140 -10.190 5.512 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.315 -10.464 7.123 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.972 -10.978 4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.407 -11.304 4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.580 -12.495 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.428 -11.115 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.466 -9.035 3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.443 -8.767 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.948 -8.584 4.668 1.00 0.00 H new ATOM 168 N GLY A 13 -0.731 -12.813 7.621 1.00 0.00 N ATOM 169 CA GLY A 13 -0.458 -14.213 7.905 1.00 0.00 C ATOM 170 C GLY A 13 0.999 -14.590 7.706 1.00 0.00 C ATOM 171 O GLY A 13 1.893 -13.976 8.288 1.00 0.00 O ATOM 0 H GLY A 13 -1.208 -12.311 8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.746 -14.431 8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.079 -14.836 7.261 1.00 0.00 H new ATOM 175 N ASN A 14 1.237 -15.611 6.884 1.00 0.00 N ATOM 176 CA ASN A 14 2.594 -16.079 6.612 1.00 0.00 C ATOM 177 C ASN A 14 3.190 -15.391 5.385 1.00 0.00 C ATOM 178 O ASN A 14 4.163 -15.871 4.807 1.00 0.00 O ATOM 179 CB ASN A 14 2.598 -17.596 6.411 1.00 0.00 C ATOM 180 CG ASN A 14 2.375 -18.350 7.707 1.00 0.00 C ATOM 181 OD1 ASN A 14 3.324 -18.668 8.425 1.00 0.00 O ATOM 182 ND2 ASN A 14 1.116 -18.642 8.013 1.00 0.00 N ATOM 0 H ASN A 14 0.507 -16.130 6.395 1.00 0.00 H new ATOM 0 HA ASN A 14 3.211 -15.825 7.474 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.820 -17.867 5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.550 -17.900 5.976 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.904 -19.149 8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.361 -18.359 7.389 1.00 0.00 H new ATOM 189 N TYR A 15 2.609 -14.259 5.001 1.00 0.00 N ATOM 190 CA TYR A 15 3.086 -13.494 3.856 1.00 0.00 C ATOM 191 C TYR A 15 3.253 -12.029 4.247 1.00 0.00 C ATOM 192 O TYR A 15 2.532 -11.525 5.108 1.00 0.00 O ATOM 193 CB TYR A 15 2.099 -13.593 2.689 1.00 0.00 C ATOM 194 CG TYR A 15 2.180 -14.883 1.897 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.344 -15.643 1.853 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.077 -15.338 1.189 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.399 -16.816 1.126 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.125 -16.510 0.464 1.00 0.00 C ATOM 199 CZ TYR A 15 2.289 -17.246 0.436 1.00 0.00 C ATOM 200 OH TYR A 15 2.341 -18.418 -0.285 1.00 0.00 O ATOM 0 H TYR A 15 1.801 -13.849 5.470 1.00 0.00 H new ATOM 0 HA TYR A 15 4.046 -13.907 3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.086 -13.484 3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.272 -12.756 2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.217 -15.311 2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.163 -14.763 1.206 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.311 -17.394 1.099 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.255 -16.849 -0.079 1.00 0.00 H new ATOM 0 HH TYR A 15 1.474 -18.578 -0.712 1.00 0.00 H new ATOM 210 N LYS A 16 4.194 -11.347 3.612 1.00 0.00 N ATOM 211 CA LYS A 16 4.430 -9.938 3.900 1.00 0.00 C ATOM 212 C LYS A 16 4.689 -9.164 2.615 1.00 0.00 C ATOM 213 O LYS A 16 5.691 -9.396 1.936 1.00 0.00 O ATOM 214 CB LYS A 16 5.617 -9.782 4.854 1.00 0.00 C ATOM 215 CG LYS A 16 5.934 -8.336 5.198 1.00 0.00 C ATOM 216 CD LYS A 16 6.783 -8.235 6.455 1.00 0.00 C ATOM 217 CE LYS A 16 7.587 -6.945 6.483 1.00 0.00 C ATOM 218 NZ LYS A 16 6.979 -5.931 7.388 1.00 0.00 N ATOM 0 H LYS A 16 4.805 -11.743 2.897 1.00 0.00 H new ATOM 0 HA LYS A 16 3.538 -9.532 4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.408 -10.328 5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.497 -10.241 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.459 -7.870 4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.006 -7.783 5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.140 -8.283 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.460 -9.088 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.605 -7.159 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.654 -6.537 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.557 -5.066 7.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.017 -5.708 7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.938 -6.310 8.356 1.00 0.00 H new ATOM 232 N VAL A 17 3.790 -8.243 2.279 1.00 0.00 N ATOM 233 CA VAL A 17 3.953 -7.453 1.068 1.00 0.00 C ATOM 234 C VAL A 17 4.514 -6.069 1.395 1.00 0.00 C ATOM 235 O VAL A 17 3.925 -5.311 2.167 1.00 0.00 O ATOM 236 CB VAL A 17 2.625 -7.333 0.264 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.682 -8.478 0.603 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.930 -5.997 0.495 1.00 0.00 C ATOM 0 H VAL A 17 2.953 -8.029 2.821 1.00 0.00 H new ATOM 0 HA VAL A 17 4.668 -7.978 0.435 1.00 0.00 H new ATOM 0 HB VAL A 17 2.889 -7.389 -0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.761 -8.373 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.158 -9.427 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.451 -8.456 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.009 -5.961 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.695 -5.887 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.588 -5.186 0.183 1.00 0.00 H new ATOM 248 N VAL A 18 5.661 -5.757 0.802 1.00 0.00 N ATOM 249 CA VAL A 18 6.317 -4.476 1.022 1.00 0.00 C ATOM 250 C VAL A 18 6.829 -3.890 -0.291 1.00 0.00 C ATOM 251 O VAL A 18 7.013 -4.611 -1.272 1.00 0.00 O ATOM 252 CB VAL A 18 7.495 -4.612 2.009 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.519 -5.607 1.487 1.00 0.00 C ATOM 254 CG2 VAL A 18 8.145 -3.263 2.266 1.00 0.00 C ATOM 0 H VAL A 18 6.157 -6.378 0.162 1.00 0.00 H new ATOM 0 HA VAL A 18 5.572 -3.805 1.449 1.00 0.00 H new ATOM 0 HB VAL A 18 7.102 -4.986 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.342 -5.689 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.048 -6.582 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.902 -5.264 0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.973 -3.385 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.520 -2.855 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.409 -2.580 2.691 1.00 0.00 H new ATOM 264 N ASN A 19 7.072 -2.585 -0.299 1.00 0.00 N ATOM 265 CA ASN A 19 7.583 -1.914 -1.487 1.00 0.00 C ATOM 266 C ASN A 19 8.955 -2.470 -1.858 1.00 0.00 C ATOM 267 O ASN A 19 9.767 -2.769 -0.983 1.00 0.00 O ATOM 268 CB ASN A 19 7.674 -0.405 -1.249 1.00 0.00 C ATOM 269 CG ASN A 19 7.144 0.398 -2.422 1.00 0.00 C ATOM 270 OD1 ASN A 19 6.001 0.851 -2.413 1.00 0.00 O ATOM 271 ND2 ASN A 19 7.978 0.578 -3.440 1.00 0.00 N ATOM 0 H ASN A 19 6.924 -1.972 0.502 1.00 0.00 H new ATOM 0 HA ASN A 19 6.894 -2.097 -2.312 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.112 -0.147 -0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.713 -0.131 -1.064 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.678 1.110 -4.257 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.918 0.184 -3.405 1.00 0.00 H new ATOM 278 N ARG A 20 9.207 -2.616 -3.155 1.00 0.00 N ATOM 279 CA ARG A 20 10.483 -3.147 -3.625 1.00 0.00 C ATOM 280 C ARG A 20 11.645 -2.320 -3.089 1.00 0.00 C ATOM 281 O ARG A 20 12.639 -2.863 -2.607 1.00 0.00 O ATOM 282 CB ARG A 20 10.519 -3.170 -5.153 1.00 0.00 C ATOM 283 CG ARG A 20 11.593 -4.085 -5.722 1.00 0.00 C ATOM 284 CD ARG A 20 11.534 -4.138 -7.240 1.00 0.00 C ATOM 285 NE ARG A 20 12.579 -3.323 -7.857 1.00 0.00 N ATOM 286 CZ ARG A 20 12.991 -3.472 -9.113 1.00 0.00 C ATOM 287 NH1 ARG A 20 12.451 -4.404 -9.891 1.00 0.00 N ATOM 288 NH2 ARG A 20 13.946 -2.687 -9.595 1.00 0.00 N ATOM 0 H ARG A 20 8.549 -2.376 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 20 10.583 -4.166 -3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.546 -3.489 -5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.685 -2.157 -5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.576 -3.734 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.469 -5.089 -5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.637 -5.171 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.557 -3.791 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 20 13.018 -2.597 -7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.716 -5.010 -9.526 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.771 -4.513 -10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.364 -1.970 -9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.262 -2.801 -10.558 1.00 0.00 H new ATOM 302 N HIS A 21 11.513 -1.002 -3.168 1.00 0.00 N ATOM 303 CA HIS A 21 12.555 -0.104 -2.681 1.00 0.00 C ATOM 304 C HIS A 21 12.693 -0.192 -1.161 1.00 0.00 C ATOM 305 O HIS A 21 13.650 0.329 -0.588 1.00 0.00 O ATOM 306 CB HIS A 21 12.247 1.337 -3.094 1.00 0.00 C ATOM 307 CG HIS A 21 13.461 2.110 -3.507 1.00 0.00 C ATOM 308 ND1 HIS A 21 14.262 1.746 -4.569 1.00 0.00 N ATOM 309 CD2 HIS A 21 14.010 3.237 -2.995 1.00 0.00 C ATOM 310 CE1 HIS A 21 15.251 2.613 -4.690 1.00 0.00 C ATOM 311 NE2 HIS A 21 15.120 3.528 -3.748 1.00 0.00 N ATOM 0 H HIS A 21 10.699 -0.532 -3.563 1.00 0.00 H new ATOM 0 HA HIS A 21 13.500 -0.412 -3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 21 11.534 1.326 -3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.764 1.850 -2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.643 3.802 -2.151 1.00 0.00 H new ATOM 0 HE1 HIS A 21 16.034 2.579 -5.433 1.00 0.00 H new ATOM 0 HE2 HIS A 21 15.743 4.323 -3.603 1.00 0.00 H new ATOM 320 N LEU A 22 11.733 -0.847 -0.508 1.00 0.00 N ATOM 321 CA LEU A 22 11.758 -0.989 0.944 1.00 0.00 C ATOM 322 C LEU A 22 12.074 -2.422 1.369 1.00 0.00 C ATOM 323 O LEU A 22 12.376 -2.672 2.536 1.00 0.00 O ATOM 324 CB LEU A 22 10.416 -0.558 1.538 1.00 0.00 C ATOM 325 CG LEU A 22 10.510 0.238 2.841 1.00 0.00 C ATOM 326 CD1 LEU A 22 10.512 1.732 2.554 1.00 0.00 C ATOM 327 CD2 LEU A 22 9.365 -0.125 3.773 1.00 0.00 C ATOM 0 H LEU A 22 10.932 -1.286 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 22 12.551 -0.344 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.886 0.044 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.812 -1.448 1.717 1.00 0.00 H new ATOM 0 HG LEU A 22 11.448 -0.019 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.579 2.283 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.367 1.981 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.591 2.005 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.449 0.451 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.415 0.102 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.408 -1.189 4.005 1.00 0.00 H new ATOM 339 N ALA A 23 12.006 -3.365 0.431 1.00 0.00 N ATOM 340 CA ALA A 23 12.287 -4.757 0.739 1.00 0.00 C ATOM 341 C ALA A 23 13.763 -4.954 1.057 1.00 0.00 C ATOM 342 O ALA A 23 14.618 -4.225 0.556 1.00 0.00 O ATOM 343 CB ALA A 23 11.863 -5.648 -0.418 1.00 0.00 C ATOM 0 H ALA A 23 11.760 -3.187 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 23 11.713 -5.037 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.079 -6.688 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.794 -5.531 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.412 -5.364 -1.316 1.00 0.00 H new ATOM 349 N THR A 24 14.054 -5.940 1.895 1.00 0.00 N ATOM 350 CA THR A 24 15.429 -6.236 2.277 1.00 0.00 C ATOM 351 C THR A 24 15.919 -7.487 1.558 1.00 0.00 C ATOM 352 O THR A 24 15.131 -8.210 0.948 1.00 0.00 O ATOM 353 CB THR A 24 15.533 -6.426 3.792 1.00 0.00 C ATOM 354 OG1 THR A 24 14.881 -7.618 4.192 1.00 0.00 O ATOM 355 CG2 THR A 24 14.931 -5.284 4.581 1.00 0.00 C ATOM 0 H THR A 24 13.357 -6.549 2.323 1.00 0.00 H new ATOM 0 HA THR A 24 16.057 -5.394 1.987 1.00 0.00 H new ATOM 0 HB THR A 24 16.601 -6.469 4.006 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.959 -7.724 5.163 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.038 -5.482 5.647 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.447 -4.357 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.874 -5.189 4.334 1.00 0.00 H new ATOM 363 N HIS A 25 17.220 -7.744 1.635 1.00 0.00 N ATOM 364 CA HIS A 25 17.805 -8.915 0.990 1.00 0.00 C ATOM 365 C HIS A 25 17.095 -10.187 1.443 1.00 0.00 C ATOM 366 O HIS A 25 17.012 -11.165 0.701 1.00 0.00 O ATOM 367 CB HIS A 25 19.299 -9.008 1.309 1.00 0.00 C ATOM 368 CG HIS A 25 19.589 -9.202 2.765 1.00 0.00 C ATOM 369 ND1 HIS A 25 19.694 -8.156 3.658 1.00 0.00 N ATOM 370 CD2 HIS A 25 19.796 -10.330 3.486 1.00 0.00 C ATOM 371 CE1 HIS A 25 19.954 -8.631 4.863 1.00 0.00 C ATOM 372 NE2 HIS A 25 20.020 -9.948 4.785 1.00 0.00 N ATOM 0 H HIS A 25 17.889 -7.159 2.136 1.00 0.00 H new ATOM 0 HA HIS A 25 17.680 -8.810 -0.088 1.00 0.00 H new ATOM 0 HB2 HIS A 25 19.731 -9.836 0.747 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.793 -8.099 0.967 1.00 0.00 H new ATOM 0 HD2 HIS A 25 19.787 -11.342 3.109 1.00 0.00 H new ATOM 0 HE1 HIS A 25 20.089 -8.043 5.759 1.00 0.00 H new ATOM 0 HE2 HIS A 25 20.207 -10.579 5.564 1.00 0.00 H new ATOM 381 N VAL A 26 16.583 -10.160 2.668 1.00 0.00 N ATOM 382 CA VAL A 26 15.876 -11.300 3.233 1.00 0.00 C ATOM 383 C VAL A 26 14.483 -11.448 2.629 1.00 0.00 C ATOM 384 O VAL A 26 13.970 -12.561 2.499 1.00 0.00 O ATOM 385 CB VAL A 26 15.746 -11.179 4.763 1.00 0.00 C ATOM 386 CG1 VAL A 26 15.188 -12.464 5.355 1.00 0.00 C ATOM 387 CG2 VAL A 26 17.091 -10.836 5.387 1.00 0.00 C ATOM 0 H VAL A 26 16.646 -9.355 3.291 1.00 0.00 H new ATOM 0 HA VAL A 26 16.467 -12.183 2.991 1.00 0.00 H new ATOM 0 HB VAL A 26 15.050 -10.371 4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.103 -12.360 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 26 14.203 -12.662 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.857 -13.292 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.980 -10.754 6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.811 -11.621 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.447 -9.887 4.986 1.00 0.00 H new ATOM 397 N ASP A 27 13.872 -10.325 2.255 1.00 0.00 N ATOM 398 CA ASP A 27 12.545 -10.349 1.669 1.00 0.00 C ATOM 399 C ASP A 27 12.602 -11.019 0.312 1.00 0.00 C ATOM 400 O ASP A 27 11.759 -11.851 -0.020 1.00 0.00 O ATOM 401 CB ASP A 27 11.990 -8.925 1.532 1.00 0.00 C ATOM 402 CG ASP A 27 10.497 -8.861 1.789 1.00 0.00 C ATOM 403 OD1 ASP A 27 10.103 -8.673 2.959 1.00 0.00 O ATOM 404 OD2 ASP A 27 9.722 -8.997 0.819 1.00 0.00 O ATOM 0 H ASP A 27 14.278 -9.394 2.349 1.00 0.00 H new ATOM 0 HA ASP A 27 11.881 -10.914 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.505 -8.268 2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.200 -8.551 0.530 1.00 0.00 H new ATOM 409 N TRP A 28 13.615 -10.657 -0.464 1.00 0.00 N ATOM 410 CA TRP A 28 13.793 -11.232 -1.781 1.00 0.00 C ATOM 411 C TRP A 28 14.315 -12.661 -1.691 1.00 0.00 C ATOM 412 O TRP A 28 14.022 -13.495 -2.548 1.00 0.00 O ATOM 413 CB TRP A 28 14.714 -10.361 -2.634 1.00 0.00 C ATOM 414 CG TRP A 28 14.052 -9.087 -3.052 1.00 0.00 C ATOM 415 CD1 TRP A 28 13.048 -8.946 -3.965 1.00 0.00 C ATOM 416 CD2 TRP A 28 14.333 -7.776 -2.557 1.00 0.00 C ATOM 417 NE1 TRP A 28 12.684 -7.625 -4.065 1.00 0.00 N ATOM 418 CE2 TRP A 28 13.458 -6.887 -3.210 1.00 0.00 C ATOM 419 CE3 TRP A 28 15.238 -7.269 -1.625 1.00 0.00 C ATOM 420 CZ2 TRP A 28 13.463 -5.520 -2.954 1.00 0.00 C ATOM 421 CZ3 TRP A 28 15.243 -5.912 -1.374 1.00 0.00 C ATOM 422 CH2 TRP A 28 14.359 -5.051 -2.035 1.00 0.00 C ATOM 0 H TRP A 28 14.321 -9.970 -0.201 1.00 0.00 H new ATOM 0 HA TRP A 28 12.818 -11.267 -2.267 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.619 -10.132 -2.072 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.021 -10.917 -3.520 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.604 -9.755 -4.527 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.956 -7.255 -4.676 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.922 -7.926 -1.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.783 -4.853 -3.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 15.941 -5.507 -0.656 1.00 0.00 H new ATOM 0 HH2 TRP A 28 14.386 -3.994 -1.814 1.00 0.00 H new ATOM 433 N GLN A 29 15.084 -12.939 -0.641 1.00 0.00 N ATOM 434 CA GLN A 29 15.638 -14.272 -0.435 1.00 0.00 C ATOM 435 C GLN A 29 14.518 -15.300 -0.329 1.00 0.00 C ATOM 436 O GLN A 29 14.604 -16.392 -0.892 1.00 0.00 O ATOM 437 CB GLN A 29 16.501 -14.298 0.828 1.00 0.00 C ATOM 438 CG GLN A 29 17.986 -14.467 0.546 1.00 0.00 C ATOM 439 CD GLN A 29 18.615 -15.575 1.369 1.00 0.00 C ATOM 440 OE1 GLN A 29 18.112 -16.698 1.407 1.00 0.00 O ATOM 441 NE2 GLN A 29 19.723 -15.263 2.033 1.00 0.00 N ATOM 0 H GLN A 29 15.336 -12.260 0.078 1.00 0.00 H new ATOM 0 HA GLN A 29 16.264 -14.525 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.348 -13.372 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.166 -15.113 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.129 -14.681 -0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.500 -13.529 0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 29 20.105 -14.319 1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.191 -15.967 2.603 1.00 0.00 H new ATOM 450 N ASN A 30 13.462 -14.937 0.392 1.00 0.00 N ATOM 451 CA ASN A 30 12.314 -15.818 0.568 1.00 0.00 C ATOM 452 C ASN A 30 11.066 -15.198 -0.050 1.00 0.00 C ATOM 453 O ASN A 30 9.954 -15.390 0.442 1.00 0.00 O ATOM 454 CB ASN A 30 12.078 -16.100 2.054 1.00 0.00 C ATOM 455 CG ASN A 30 12.149 -14.844 2.900 1.00 0.00 C ATOM 456 OD1 ASN A 30 11.798 -13.755 2.447 1.00 0.00 O ATOM 457 ND2 ASN A 30 12.604 -14.991 4.140 1.00 0.00 N ATOM 0 H ASN A 30 13.378 -14.037 0.864 1.00 0.00 H new ATOM 0 HA ASN A 30 12.525 -16.760 0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.101 -16.566 2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.821 -16.815 2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.673 -14.182 4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.884 -15.913 4.474 1.00 0.00 H new ATOM 464 N CYS A 31 11.261 -14.445 -1.129 1.00 0.00 N ATOM 465 CA CYS A 31 10.156 -13.787 -1.816 1.00 0.00 C ATOM 466 C CYS A 31 9.375 -14.775 -2.675 1.00 0.00 C ATOM 467 O CYS A 31 9.954 -15.546 -3.440 1.00 0.00 O ATOM 468 CB CYS A 31 10.680 -12.638 -2.685 1.00 0.00 C ATOM 469 SG CYS A 31 9.459 -11.934 -3.820 1.00 0.00 S ATOM 0 H CYS A 31 12.176 -14.276 -1.546 1.00 0.00 H new ATOM 0 HA CYS A 31 9.482 -13.385 -1.059 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.050 -11.846 -2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.531 -12.997 -3.264 1.00 0.00 H new ATOM 0 HG CYS A 31 8.342 -11.733 -3.186 1.00 0.00 H new ATOM 475 N VAL A 32 8.055 -14.733 -2.549 1.00 0.00 N ATOM 476 CA VAL A 32 7.183 -15.606 -3.316 1.00 0.00 C ATOM 477 C VAL A 32 6.671 -14.894 -4.567 1.00 0.00 C ATOM 478 O VAL A 32 6.552 -15.502 -5.631 1.00 0.00 O ATOM 479 CB VAL A 32 5.979 -16.083 -2.478 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.425 -17.037 -1.381 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.240 -14.901 -1.876 1.00 0.00 C ATOM 0 H VAL A 32 7.565 -14.099 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 32 7.774 -16.475 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 32 5.299 -16.616 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.558 -17.359 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.906 -17.906 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.131 -16.530 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.395 -15.261 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.916 -14.339 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.878 -14.253 -2.674 1.00 0.00 H new ATOM 491 N TRP A 33 6.360 -13.604 -4.432 1.00 0.00 N ATOM 492 CA TRP A 33 5.852 -12.823 -5.562 1.00 0.00 C ATOM 493 C TRP A 33 6.452 -11.414 -5.587 1.00 0.00 C ATOM 494 O TRP A 33 6.838 -10.872 -4.550 1.00 0.00 O ATOM 495 CB TRP A 33 4.320 -12.766 -5.508 1.00 0.00 C ATOM 496 CG TRP A 33 3.718 -11.544 -6.139 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.229 -11.425 -7.409 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.540 -10.269 -5.520 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.759 -10.150 -7.614 1.00 0.00 N ATOM 500 CE2 TRP A 33 2.940 -9.420 -6.467 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.833 -9.765 -4.253 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.628 -8.093 -6.180 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.524 -8.449 -3.971 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.927 -7.628 -4.932 1.00 0.00 C ATOM 0 H TRP A 33 6.449 -13.081 -3.561 1.00 0.00 H new ATOM 0 HA TRP A 33 6.156 -13.318 -6.485 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.919 -13.650 -6.004 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.004 -12.814 -4.466 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.214 -12.216 -8.144 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.343 -9.803 -8.478 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.294 -10.393 -3.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.166 -7.455 -6.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.747 -8.048 -2.993 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.697 -6.603 -4.681 1.00 0.00 H new ATOM 515 N GLU A 34 6.523 -10.829 -6.783 1.00 0.00 N ATOM 516 CA GLU A 34 7.071 -9.485 -6.958 1.00 0.00 C ATOM 517 C GLU A 34 6.514 -8.832 -8.225 1.00 0.00 C ATOM 518 O GLU A 34 6.686 -9.351 -9.329 1.00 0.00 O ATOM 519 CB GLU A 34 8.604 -9.547 -7.014 1.00 0.00 C ATOM 520 CG GLU A 34 9.264 -8.293 -7.572 1.00 0.00 C ATOM 521 CD GLU A 34 8.955 -7.051 -6.760 1.00 0.00 C ATOM 522 OE1 GLU A 34 7.766 -6.686 -6.663 1.00 0.00 O ATOM 523 OE2 GLU A 34 9.904 -6.441 -6.224 1.00 0.00 O ATOM 0 H GLU A 34 6.206 -11.268 -7.648 1.00 0.00 H new ATOM 0 HA GLU A 34 6.774 -8.875 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.985 -9.727 -6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.899 -10.401 -7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.344 -8.441 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.933 -8.141 -8.599 1.00 0.00 H new ATOM 530 N ASP A 35 5.844 -7.692 -8.058 1.00 0.00 N ATOM 531 CA ASP A 35 5.260 -6.969 -9.186 1.00 0.00 C ATOM 532 C ASP A 35 6.053 -5.702 -9.498 1.00 0.00 C ATOM 533 O ASP A 35 5.884 -4.671 -8.847 1.00 0.00 O ATOM 534 CB ASP A 35 3.803 -6.608 -8.888 1.00 0.00 C ATOM 535 CG ASP A 35 2.825 -7.609 -9.472 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.242 -8.423 -10.323 1.00 0.00 O ATOM 537 OD2 ASP A 35 1.641 -7.580 -9.077 1.00 0.00 O ATOM 0 H ASP A 35 5.692 -7.250 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 35 5.298 -7.622 -10.058 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.659 -6.552 -7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.588 -5.618 -9.290 1.00 0.00 H new ATOM 542 N TYR A 36 6.915 -5.792 -10.503 1.00 0.00 N ATOM 543 CA TYR A 36 7.743 -4.665 -10.918 1.00 0.00 C ATOM 544 C TYR A 36 6.898 -3.462 -11.330 1.00 0.00 C ATOM 545 O TYR A 36 7.339 -2.318 -11.217 1.00 0.00 O ATOM 546 CB TYR A 36 8.658 -5.077 -12.073 1.00 0.00 C ATOM 547 CG TYR A 36 7.916 -5.662 -13.254 1.00 0.00 C ATOM 548 CD1 TYR A 36 7.329 -4.839 -14.206 1.00 0.00 C ATOM 549 CD2 TYR A 36 7.807 -7.037 -13.418 1.00 0.00 C ATOM 550 CE1 TYR A 36 6.651 -5.369 -15.287 1.00 0.00 C ATOM 551 CE2 TYR A 36 7.131 -7.576 -14.496 1.00 0.00 C ATOM 552 CZ TYR A 36 6.554 -6.738 -15.428 1.00 0.00 C ATOM 553 OH TYR A 36 5.880 -7.270 -16.502 1.00 0.00 O ATOM 0 H TYR A 36 7.060 -6.641 -11.050 1.00 0.00 H new ATOM 0 HA TYR A 36 8.349 -4.371 -10.061 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.224 -4.207 -12.405 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.381 -5.808 -11.710 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.404 -3.767 -14.100 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.258 -7.696 -12.691 1.00 0.00 H new ATOM 0 HE1 TYR A 36 6.199 -4.715 -16.018 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.055 -8.647 -14.608 1.00 0.00 H new ATOM 0 HH TYR A 36 5.906 -8.248 -16.452 1.00 0.00 H new ATOM 563 N ASN A 37 5.690 -3.720 -11.827 1.00 0.00 N ATOM 564 CA ASN A 37 4.806 -2.659 -12.271 1.00 0.00 C ATOM 565 C ASN A 37 4.485 -1.696 -11.137 1.00 0.00 C ATOM 566 O ASN A 37 4.410 -0.493 -11.353 1.00 0.00 O ATOM 567 CB ASN A 37 3.518 -3.255 -12.839 1.00 0.00 C ATOM 568 CG ASN A 37 3.346 -2.962 -14.317 1.00 0.00 C ATOM 569 OD1 ASN A 37 3.493 -1.822 -14.757 1.00 0.00 O ATOM 570 ND2 ASN A 37 3.032 -3.993 -15.092 1.00 0.00 N ATOM 0 H ASN A 37 5.306 -4.659 -11.930 1.00 0.00 H new ATOM 0 HA ASN A 37 5.317 -2.097 -13.053 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.521 -4.334 -12.684 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.664 -2.856 -12.291 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.903 -3.857 -16.095 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.920 -4.921 -14.685 1.00 0.00 H new ATOM 577 N ARG A 38 4.298 -2.222 -9.931 1.00 0.00 N ATOM 578 CA ARG A 38 3.986 -1.376 -8.779 1.00 0.00 C ATOM 579 C ARG A 38 5.075 -1.455 -7.707 1.00 0.00 C ATOM 580 O ARG A 38 4.979 -0.804 -6.667 1.00 0.00 O ATOM 581 CB ARG A 38 2.618 -1.730 -8.178 1.00 0.00 C ATOM 582 CG ARG A 38 2.200 -3.186 -8.349 1.00 0.00 C ATOM 583 CD ARG A 38 2.406 -3.979 -7.070 1.00 0.00 C ATOM 584 NE ARG A 38 1.229 -3.939 -6.204 1.00 0.00 N ATOM 585 CZ ARG A 38 1.105 -3.140 -5.145 1.00 0.00 C ATOM 586 NH1 ARG A 38 2.072 -2.286 -4.826 1.00 0.00 N ATOM 587 NH2 ARG A 38 0.007 -3.193 -4.404 1.00 0.00 N ATOM 0 H ARG A 38 4.356 -3.219 -9.724 1.00 0.00 H new ATOM 0 HA ARG A 38 3.945 -0.349 -9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.633 -1.494 -7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.861 -1.093 -8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.151 -3.232 -8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.777 -3.639 -9.156 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.638 -5.015 -7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.266 -3.581 -6.531 1.00 0.00 H new ATOM 0 HE ARG A 38 0.453 -4.563 -6.425 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.918 -2.238 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.968 -1.678 -4.013 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.740 -3.844 -4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.091 -2.583 -3.593 1.00 0.00 H new ATOM 601 N ASP A 39 6.118 -2.238 -7.970 1.00 0.00 N ATOM 602 CA ASP A 39 7.228 -2.379 -7.034 1.00 0.00 C ATOM 603 C ASP A 39 6.769 -2.936 -5.684 1.00 0.00 C ATOM 604 O ASP A 39 7.029 -2.345 -4.636 1.00 0.00 O ATOM 605 CB ASP A 39 7.922 -1.026 -6.839 1.00 0.00 C ATOM 606 CG ASP A 39 9.371 -1.050 -7.284 1.00 0.00 C ATOM 607 OD1 ASP A 39 9.690 -1.803 -8.229 1.00 0.00 O ATOM 608 OD2 ASP A 39 10.187 -0.316 -6.689 1.00 0.00 O ATOM 0 H ASP A 39 6.217 -2.785 -8.825 1.00 0.00 H new ATOM 0 HA ASP A 39 7.933 -3.093 -7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.385 -0.261 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.872 -0.744 -5.787 1.00 0.00 H new ATOM 613 N LEU A 40 6.102 -4.086 -5.714 1.00 0.00 N ATOM 614 CA LEU A 40 5.633 -4.724 -4.488 1.00 0.00 C ATOM 615 C LEU A 40 5.890 -6.224 -4.537 1.00 0.00 C ATOM 616 O LEU A 40 5.610 -6.878 -5.540 1.00 0.00 O ATOM 617 CB LEU A 40 4.143 -4.453 -4.275 1.00 0.00 C ATOM 618 CG LEU A 40 3.563 -5.011 -2.972 1.00 0.00 C ATOM 619 CD1 LEU A 40 4.107 -4.247 -1.773 1.00 0.00 C ATOM 620 CD2 LEU A 40 2.042 -4.955 -3.000 1.00 0.00 C ATOM 0 H LEU A 40 5.875 -4.593 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 40 6.186 -4.300 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.978 -3.376 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.589 -4.877 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 40 3.867 -6.054 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.683 -4.658 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.193 -4.340 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.835 -3.195 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.646 -5.355 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.718 -3.921 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.671 -5.549 -3.836 1.00 0.00 H new ATOM 632 N LEU A 41 6.429 -6.763 -3.451 1.00 0.00 N ATOM 633 CA LEU A 41 6.732 -8.188 -3.380 1.00 0.00 C ATOM 634 C LEU A 41 6.210 -8.821 -2.096 1.00 0.00 C ATOM 635 O LEU A 41 6.014 -8.144 -1.090 1.00 0.00 O ATOM 636 CB LEU A 41 8.243 -8.445 -3.533 1.00 0.00 C ATOM 637 CG LEU A 41 9.197 -7.890 -2.446 1.00 0.00 C ATOM 638 CD1 LEU A 41 10.090 -6.808 -3.027 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.467 -7.355 -1.222 1.00 0.00 C ATOM 0 H LEU A 41 6.665 -6.238 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 41 6.215 -8.662 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.393 -9.523 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.555 -8.031 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 41 9.803 -8.732 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.754 -6.429 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.684 -7.224 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.474 -5.993 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.193 -6.982 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.802 -6.544 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.882 -8.155 -0.768 1.00 0.00 H new ATOM 651 N VAL A 42 5.986 -10.127 -2.141 1.00 0.00 N ATOM 652 CA VAL A 42 5.500 -10.854 -0.980 1.00 0.00 C ATOM 653 C VAL A 42 6.526 -11.885 -0.544 1.00 0.00 C ATOM 654 O VAL A 42 7.010 -12.674 -1.357 1.00 0.00 O ATOM 655 CB VAL A 42 4.141 -11.560 -1.248 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.840 -12.630 -0.198 1.00 0.00 C ATOM 657 CG2 VAL A 42 3.008 -10.546 -1.293 1.00 0.00 C ATOM 0 H VAL A 42 6.133 -10.703 -2.970 1.00 0.00 H new ATOM 0 HA VAL A 42 5.343 -10.121 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 42 4.220 -12.052 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.882 -13.099 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.626 -13.385 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.797 -12.169 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.066 -11.061 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.950 -10.022 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.195 -9.827 -2.091 1.00 0.00 H new ATOM 667 N SER A 43 6.836 -11.872 0.746 1.00 0.00 N ATOM 668 CA SER A 43 7.788 -12.806 1.323 1.00 0.00 C ATOM 669 C SER A 43 7.104 -13.626 2.409 1.00 0.00 C ATOM 670 O SER A 43 6.085 -13.207 2.960 1.00 0.00 O ATOM 671 CB SER A 43 8.991 -12.060 1.902 1.00 0.00 C ATOM 672 OG SER A 43 8.709 -11.561 3.198 1.00 0.00 O ATOM 0 H SER A 43 6.436 -11.216 1.417 1.00 0.00 H new ATOM 0 HA SER A 43 8.146 -13.474 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.850 -12.729 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.263 -11.235 1.243 1.00 0.00 H new ATOM 0 HG SER A 43 9.067 -10.653 3.284 1.00 0.00 H new ATOM 678 N THR A 44 7.648 -14.796 2.705 1.00 0.00 N ATOM 679 CA THR A 44 7.058 -15.661 3.717 1.00 0.00 C ATOM 680 C THR A 44 7.754 -15.502 5.061 1.00 0.00 C ATOM 681 O THR A 44 8.969 -15.666 5.173 1.00 0.00 O ATOM 682 CB THR A 44 7.102 -17.112 3.253 1.00 0.00 C ATOM 683 OG1 THR A 44 8.420 -17.628 3.322 1.00 0.00 O ATOM 684 CG2 THR A 44 6.611 -17.274 1.836 1.00 0.00 C ATOM 0 H THR A 44 8.490 -15.167 2.264 1.00 0.00 H new ATOM 0 HA THR A 44 6.018 -15.365 3.853 1.00 0.00 H new ATOM 0 HB THR A 44 6.443 -17.662 3.924 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.954 -17.082 3.936 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.662 -18.325 1.551 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.580 -16.928 1.767 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.237 -16.686 1.165 1.00 0.00 H new ATOM 692 N THR A 45 6.965 -15.168 6.075 1.00 0.00 N ATOM 693 CA THR A 45 7.480 -14.966 7.423 1.00 0.00 C ATOM 694 C THR A 45 7.271 -16.214 8.278 1.00 0.00 C ATOM 695 O THR A 45 6.987 -17.294 7.759 1.00 0.00 O ATOM 696 CB THR A 45 6.795 -13.753 8.072 1.00 0.00 C ATOM 697 OG1 THR A 45 5.764 -14.164 8.954 1.00 0.00 O ATOM 698 CG2 THR A 45 6.179 -12.795 7.070 1.00 0.00 C ATOM 0 H THR A 45 5.958 -15.031 5.987 1.00 0.00 H new ATOM 0 HA THR A 45 8.551 -14.775 7.358 1.00 0.00 H new ATOM 0 HB THR A 45 7.591 -13.234 8.606 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.144 -13.420 9.102 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.714 -11.964 7.600 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.955 -12.414 6.407 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.425 -13.318 6.482 1.00 0.00 H new ATOM 706 N THR A 46 7.411 -16.058 9.591 1.00 0.00 N ATOM 707 CA THR A 46 7.234 -17.171 10.517 1.00 0.00 C ATOM 708 C THR A 46 6.469 -16.727 11.760 1.00 0.00 C ATOM 709 O THR A 46 6.814 -17.101 12.882 1.00 0.00 O ATOM 710 CB THR A 46 8.593 -17.750 10.917 1.00 0.00 C ATOM 711 OG1 THR A 46 8.429 -18.888 11.743 1.00 0.00 O ATOM 712 CG2 THR A 46 9.468 -16.764 11.661 1.00 0.00 C ATOM 0 H THR A 46 7.646 -15.172 10.037 1.00 0.00 H new ATOM 0 HA THR A 46 6.653 -17.943 10.013 1.00 0.00 H new ATOM 0 HB THR A 46 9.084 -18.010 9.979 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.806 -18.678 12.470 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.416 -17.238 11.915 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.654 -15.895 11.030 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.964 -16.448 12.575 1.00 0.00 H new ATOM 720 N ALA A 47 5.427 -15.927 11.553 1.00 0.00 N ATOM 721 CA ALA A 47 4.613 -15.432 12.658 1.00 0.00 C ATOM 722 C ALA A 47 3.126 -15.525 12.329 1.00 0.00 C ATOM 723 O ALA A 47 2.744 -16.007 11.264 1.00 0.00 O ATOM 724 CB ALA A 47 4.994 -13.997 12.991 1.00 0.00 C ATOM 0 H ALA A 47 5.127 -15.608 10.632 1.00 0.00 H new ATOM 0 HA ALA A 47 4.805 -16.059 13.529 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.379 -13.640 13.817 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.045 -13.957 13.277 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.831 -13.365 12.118 1.00 0.00 H new ATOM 730 N HIS A 48 2.291 -15.060 13.254 1.00 0.00 N ATOM 731 CA HIS A 48 0.844 -15.093 13.064 1.00 0.00 C ATOM 732 C HIS A 48 0.343 -13.785 12.457 1.00 0.00 C ATOM 733 O HIS A 48 0.903 -12.718 12.706 1.00 0.00 O ATOM 734 CB HIS A 48 0.140 -15.354 14.396 1.00 0.00 C ATOM 735 CG HIS A 48 0.248 -16.772 14.864 1.00 0.00 C ATOM 736 ND1 HIS A 48 0.646 -17.808 14.043 1.00 0.00 N ATOM 737 CD2 HIS A 48 0.007 -17.327 16.075 1.00 0.00 C ATOM 738 CE1 HIS A 48 0.644 -18.936 14.729 1.00 0.00 C ATOM 739 NE2 HIS A 48 0.261 -18.673 15.964 1.00 0.00 N ATOM 0 H HIS A 48 2.591 -14.656 14.141 1.00 0.00 H new ATOM 0 HA HIS A 48 0.612 -15.904 12.373 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.563 -14.696 15.156 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.913 -15.092 14.298 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.323 -16.809 16.963 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.911 -19.909 14.344 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.168 -19.358 16.714 1.00 0.00 H new ATOM 748 N GLY A 49 -0.717 -13.879 11.659 1.00 0.00 N ATOM 749 CA GLY A 49 -1.278 -12.699 11.027 1.00 0.00 C ATOM 750 C GLY A 49 -1.897 -11.741 12.025 1.00 0.00 C ATOM 751 O GLY A 49 -2.271 -12.138 13.128 1.00 0.00 O ATOM 0 H GLY A 49 -1.197 -14.752 11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.496 -12.183 10.471 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.035 -13.004 10.304 1.00 0.00 H new ATOM 755 N CYS A 50 -2.007 -10.475 11.634 1.00 0.00 N ATOM 756 CA CYS A 50 -2.586 -9.454 12.499 1.00 0.00 C ATOM 757 C CYS A 50 -3.572 -8.583 11.728 1.00 0.00 C ATOM 758 O CYS A 50 -4.697 -8.357 12.173 1.00 0.00 O ATOM 759 CB CYS A 50 -1.483 -8.583 13.105 1.00 0.00 C ATOM 760 SG CYS A 50 -1.794 -8.083 14.815 1.00 0.00 S ATOM 0 H CYS A 50 -1.702 -10.132 10.723 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.124 -9.957 13.302 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.540 -9.128 13.063 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.363 -7.689 12.492 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.806 -7.352 15.240 1.00 0.00 H new ATOM 766 N ASP A 51 -3.142 -8.098 10.567 1.00 0.00 N ATOM 767 CA ASP A 51 -3.988 -7.252 9.732 1.00 0.00 C ATOM 768 C ASP A 51 -4.838 -8.098 8.788 1.00 0.00 C ATOM 769 O ASP A 51 -4.437 -9.188 8.385 1.00 0.00 O ATOM 770 CB ASP A 51 -3.132 -6.272 8.926 1.00 0.00 C ATOM 771 CG ASP A 51 -2.439 -5.252 9.808 1.00 0.00 C ATOM 772 OD1 ASP A 51 -1.474 -5.628 10.506 1.00 0.00 O ATOM 773 OD2 ASP A 51 -2.861 -4.077 9.800 1.00 0.00 O ATOM 0 H ASP A 51 -2.214 -8.276 10.183 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.653 -6.688 10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.384 -6.827 8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.761 -5.755 8.201 1.00 0.00 H new ATOM 778 N THR A 52 -6.013 -7.584 8.439 1.00 0.00 N ATOM 779 CA THR A 52 -6.920 -8.290 7.542 1.00 0.00 C ATOM 780 C THR A 52 -7.252 -7.434 6.326 1.00 0.00 C ATOM 781 O THR A 52 -7.846 -6.363 6.452 1.00 0.00 O ATOM 782 CB THR A 52 -8.206 -8.673 8.278 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.912 -9.406 9.453 1.00 0.00 O ATOM 784 CG2 THR A 52 -9.149 -9.507 7.440 1.00 0.00 C ATOM 0 H THR A 52 -6.359 -6.681 8.764 1.00 0.00 H new ATOM 0 HA THR A 52 -6.422 -9.198 7.202 1.00 0.00 H new ATOM 0 HB THR A 52 -8.696 -7.728 8.515 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.747 -9.640 9.910 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.040 -9.744 8.022 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.435 -8.948 6.549 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.653 -10.431 7.145 1.00 0.00 H new ATOM 792 N ILE A 53 -6.864 -7.910 5.148 1.00 0.00 N ATOM 793 CA ILE A 53 -7.120 -7.182 3.909 1.00 0.00 C ATOM 794 C ILE A 53 -8.583 -7.285 3.510 1.00 0.00 C ATOM 795 O ILE A 53 -9.200 -8.343 3.628 1.00 0.00 O ATOM 796 CB ILE A 53 -6.263 -7.694 2.733 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.889 -8.190 3.220 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.130 -6.604 1.676 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.700 -7.585 2.494 1.00 0.00 C ATOM 0 H ILE A 53 -6.372 -8.795 5.024 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.853 -6.145 4.112 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.763 -8.549 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.796 -7.973 4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.850 -9.274 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.524 -6.972 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.119 -6.331 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.652 -5.728 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.777 -7.993 2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.762 -7.824 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.707 -6.503 2.623 1.00 0.00 H new ATOM 811 N ALA A 54 -9.132 -6.177 3.032 1.00 0.00 N ATOM 812 CA ALA A 54 -10.521 -6.139 2.608 1.00 0.00 C ATOM 813 C ALA A 54 -10.654 -6.527 1.141 1.00 0.00 C ATOM 814 O ALA A 54 -10.072 -5.887 0.265 1.00 0.00 O ATOM 815 CB ALA A 54 -11.104 -4.753 2.843 1.00 0.00 C ATOM 0 H ALA A 54 -8.635 -5.293 2.929 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.079 -6.863 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.145 -4.737 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.048 -4.510 3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.537 -4.018 2.272 1.00 0.00 H new ATOM 821 N ARG A 55 -11.438 -7.567 0.875 1.00 0.00 N ATOM 822 CA ARG A 55 -11.663 -8.024 -0.491 1.00 0.00 C ATOM 823 C ARG A 55 -12.848 -7.283 -1.104 1.00 0.00 C ATOM 824 O ARG A 55 -13.552 -7.811 -1.965 1.00 0.00 O ATOM 825 CB ARG A 55 -11.915 -9.533 -0.515 1.00 0.00 C ATOM 826 CG ARG A 55 -11.820 -10.145 -1.902 1.00 0.00 C ATOM 827 CD ARG A 55 -10.380 -10.457 -2.281 1.00 0.00 C ATOM 828 NE ARG A 55 -10.244 -11.798 -2.850 1.00 0.00 N ATOM 829 CZ ARG A 55 -9.652 -12.062 -4.014 1.00 0.00 C ATOM 830 NH1 ARG A 55 -9.127 -11.087 -4.746 1.00 0.00 N ATOM 831 NH2 ARG A 55 -9.583 -13.313 -4.449 1.00 0.00 N ATOM 0 H ARG A 55 -11.928 -8.109 1.587 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.771 -7.812 -1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.194 -10.023 0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.905 -9.734 -0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.412 -11.059 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.248 -9.459 -2.633 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.026 -9.719 -3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.746 -10.371 -1.399 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.627 -12.582 -2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.174 -10.122 -4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.677 -11.303 -5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.982 -14.069 -3.893 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.131 -13.519 -5.340 1.00 0.00 H new ATOM 845 N CYS A 56 -13.063 -6.055 -0.642 1.00 0.00 N ATOM 846 CA CYS A 56 -14.157 -5.225 -1.120 1.00 0.00 C ATOM 847 C CYS A 56 -13.668 -4.211 -2.145 1.00 0.00 C ATOM 848 O CYS A 56 -12.473 -3.928 -2.236 1.00 0.00 O ATOM 849 CB CYS A 56 -14.788 -4.478 0.057 1.00 0.00 C ATOM 850 SG CYS A 56 -13.653 -3.303 0.874 1.00 0.00 S ATOM 0 H CYS A 56 -12.485 -5.611 0.071 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.893 -5.875 -1.593 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.665 -3.936 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.136 -5.204 0.792 1.00 0.00 H new ATOM 855 N GLN A 57 -14.606 -3.645 -2.893 1.00 0.00 N ATOM 856 CA GLN A 57 -14.280 -2.635 -3.887 1.00 0.00 C ATOM 857 C GLN A 57 -14.422 -1.254 -3.264 1.00 0.00 C ATOM 858 O GLN A 57 -13.430 -0.570 -3.010 1.00 0.00 O ATOM 859 CB GLN A 57 -15.196 -2.765 -5.105 1.00 0.00 C ATOM 860 CG GLN A 57 -14.864 -3.955 -5.992 1.00 0.00 C ATOM 861 CD GLN A 57 -15.879 -4.160 -7.097 1.00 0.00 C ATOM 862 OE1 GLN A 57 -16.779 -4.993 -6.983 1.00 0.00 O ATOM 863 NE2 GLN A 57 -15.741 -3.398 -8.176 1.00 0.00 N ATOM 0 H GLN A 57 -15.599 -3.869 -2.829 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.252 -2.779 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.228 -2.852 -4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.131 -1.852 -5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.877 -3.811 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.812 -4.856 -5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.980 -2.720 -8.228 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.396 -3.490 -8.953 1.00 0.00 H new ATOM 872 N CYS A 58 -15.666 -0.867 -2.996 1.00 0.00 N ATOM 873 CA CYS A 58 -15.961 0.420 -2.373 1.00 0.00 C ATOM 874 C CYS A 58 -15.343 1.579 -3.150 1.00 0.00 C ATOM 875 O CYS A 58 -14.394 1.400 -3.913 1.00 0.00 O ATOM 876 CB CYS A 58 -15.455 0.434 -0.929 1.00 0.00 C ATOM 877 SG CYS A 58 -16.304 -0.744 0.175 1.00 0.00 S ATOM 0 H CYS A 58 -16.491 -1.430 -3.202 1.00 0.00 H new ATOM 0 HA CYS A 58 -17.043 0.550 -2.382 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.388 0.211 -0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -15.570 1.440 -0.526 1.00 0.00 H new ATOM 882 N THR A 59 -15.886 2.771 -2.942 1.00 0.00 N ATOM 883 CA THR A 59 -15.390 3.968 -3.608 1.00 0.00 C ATOM 884 C THR A 59 -14.848 4.973 -2.593 1.00 0.00 C ATOM 885 O THR A 59 -14.264 5.989 -2.968 1.00 0.00 O ATOM 886 CB THR A 59 -16.498 4.615 -4.437 1.00 0.00 C ATOM 887 OG1 THR A 59 -17.447 3.649 -4.850 1.00 0.00 O ATOM 888 CG2 THR A 59 -15.988 5.317 -5.676 1.00 0.00 C ATOM 0 H THR A 59 -16.673 2.935 -2.315 1.00 0.00 H new ATOM 0 HA THR A 59 -14.577 3.671 -4.270 1.00 0.00 H new ATOM 0 HB THR A 59 -16.952 5.357 -3.780 1.00 0.00 H new ATOM 0 HG1 THR A 59 -18.149 4.084 -5.378 1.00 0.00 H new ATOM 0 HG21 THR A 59 -16.827 5.754 -6.218 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.292 6.105 -5.387 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.477 4.599 -6.317 1.00 0.00 H new ATOM 896 N THR A 60 -15.049 4.687 -1.307 1.00 0.00 N ATOM 897 CA THR A 60 -14.582 5.575 -0.250 1.00 0.00 C ATOM 898 C THR A 60 -13.847 4.802 0.840 1.00 0.00 C ATOM 899 O THR A 60 -14.392 3.871 1.434 1.00 0.00 O ATOM 900 CB THR A 60 -15.759 6.339 0.358 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.488 5.512 1.247 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.730 6.869 -0.676 1.00 0.00 C ATOM 0 H THR A 60 -15.530 3.851 -0.976 1.00 0.00 H new ATOM 0 HA THR A 60 -13.883 6.284 -0.695 1.00 0.00 H new ATOM 0 HB THR A 60 -15.313 7.185 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.006 4.669 1.379 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.540 7.400 -0.176 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.209 7.551 -1.348 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.141 6.038 -1.249 1.00 0.00 H new ATOM 910 N GLY A 61 -12.609 5.206 1.102 1.00 0.00 N ATOM 911 CA GLY A 61 -11.811 4.557 2.125 1.00 0.00 C ATOM 912 C GLY A 61 -11.064 5.565 2.974 1.00 0.00 C ATOM 913 O GLY A 61 -10.901 6.717 2.573 1.00 0.00 O ATOM 0 H GLY A 61 -12.142 5.975 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.457 3.952 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.099 3.878 1.656 1.00 0.00 H new ATOM 917 N VAL A 62 -10.611 5.144 4.149 1.00 0.00 N ATOM 918 CA VAL A 62 -9.886 6.038 5.043 1.00 0.00 C ATOM 919 C VAL A 62 -8.385 5.775 4.992 1.00 0.00 C ATOM 920 O VAL A 62 -7.940 4.628 5.059 1.00 0.00 O ATOM 921 CB VAL A 62 -10.378 5.907 6.498 1.00 0.00 C ATOM 922 CG1 VAL A 62 -10.233 4.474 6.986 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.631 6.870 7.410 1.00 0.00 C ATOM 0 H VAL A 62 -10.732 4.195 4.503 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.082 7.053 4.697 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.436 6.169 6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.586 4.403 8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.824 3.812 6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.185 4.178 6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.995 6.760 8.432 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.564 6.647 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.798 7.893 7.074 1.00 0.00 H new ATOM 933 N TYR A 63 -7.610 6.848 4.871 1.00 0.00 N ATOM 934 CA TYR A 63 -6.159 6.741 4.810 1.00 0.00 C ATOM 935 C TYR A 63 -5.508 7.478 5.977 1.00 0.00 C ATOM 936 O TYR A 63 -5.874 8.610 6.291 1.00 0.00 O ATOM 937 CB TYR A 63 -5.643 7.285 3.470 1.00 0.00 C ATOM 938 CG TYR A 63 -5.535 8.796 3.401 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.502 9.466 4.047 1.00 0.00 C ATOM 940 CD2 TYR A 63 -6.459 9.551 2.684 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.393 10.842 3.983 1.00 0.00 C ATOM 942 CE2 TYR A 63 -6.355 10.928 2.617 1.00 0.00 C ATOM 943 CZ TYR A 63 -5.321 11.568 3.268 1.00 0.00 C ATOM 944 OH TYR A 63 -5.216 12.938 3.202 1.00 0.00 O ATOM 0 H TYR A 63 -7.965 7.803 4.813 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.889 5.688 4.886 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.661 6.854 3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.307 6.945 2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.772 8.901 4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.270 9.053 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.584 11.346 4.491 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.080 11.500 2.057 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.856 13.280 4.047 1.00 0.00 H new ATOM 954 N PHE A 64 -4.542 6.826 6.617 1.00 0.00 N ATOM 955 CA PHE A 64 -3.841 7.419 7.750 1.00 0.00 C ATOM 956 C PHE A 64 -2.975 8.591 7.301 1.00 0.00 C ATOM 957 O PHE A 64 -2.235 8.490 6.323 1.00 0.00 O ATOM 958 CB PHE A 64 -2.975 6.370 8.449 1.00 0.00 C ATOM 959 CG PHE A 64 -2.352 6.858 9.725 1.00 0.00 C ATOM 960 CD1 PHE A 64 -3.066 6.839 10.912 1.00 0.00 C ATOM 961 CD2 PHE A 64 -1.051 7.336 9.737 1.00 0.00 C ATOM 962 CE1 PHE A 64 -2.496 7.288 12.088 1.00 0.00 C ATOM 963 CE2 PHE A 64 -0.475 7.786 10.910 1.00 0.00 C ATOM 964 CZ PHE A 64 -1.199 7.762 12.087 1.00 0.00 C ATOM 0 H PHE A 64 -4.227 5.888 6.370 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.588 7.789 8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.585 5.493 8.665 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.186 6.050 7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.081 6.469 10.918 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.481 7.357 8.820 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.064 7.268 13.006 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.540 8.156 10.907 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.751 8.113 13.005 1.00 0.00 H new ATOM 974 N CYS A 65 -3.073 9.704 8.021 1.00 0.00 N ATOM 975 CA CYS A 65 -2.298 10.896 7.695 1.00 0.00 C ATOM 976 C CYS A 65 -0.971 10.906 8.449 1.00 0.00 C ATOM 977 O CYS A 65 -0.841 10.286 9.504 1.00 0.00 O ATOM 978 CB CYS A 65 -3.099 12.156 8.029 1.00 0.00 C ATOM 979 SG CYS A 65 -3.826 12.973 6.588 1.00 0.00 S ATOM 0 H CYS A 65 -3.681 9.805 8.834 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.086 10.881 6.626 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.896 11.893 8.725 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.447 12.862 8.543 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.376 12.083 5.816 1.00 0.00 H new ATOM 985 N ALA A 66 0.009 11.614 7.900 1.00 0.00 N ATOM 986 CA ALA A 66 1.325 11.707 8.521 1.00 0.00 C ATOM 987 C ALA A 66 1.412 12.920 9.442 1.00 0.00 C ATOM 988 O ALA A 66 2.052 12.868 10.492 1.00 0.00 O ATOM 989 CB ALA A 66 2.408 11.773 7.454 1.00 0.00 C ATOM 0 H ALA A 66 -0.083 12.132 7.026 1.00 0.00 H new ATOM 0 HA ALA A 66 1.479 10.813 9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.385 11.842 7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.368 10.874 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.248 12.650 6.827 1.00 0.00 H new ATOM 995 N SER A 67 0.764 14.009 9.041 1.00 0.00 N ATOM 996 CA SER A 67 0.768 15.235 9.831 1.00 0.00 C ATOM 997 C SER A 67 -0.407 15.259 10.803 1.00 0.00 C ATOM 998 O SER A 67 -0.239 15.544 11.989 1.00 0.00 O ATOM 999 CB SER A 67 0.711 16.458 8.913 1.00 0.00 C ATOM 1000 OG SER A 67 0.651 17.657 9.664 1.00 0.00 O ATOM 0 H SER A 67 0.230 14.067 8.174 1.00 0.00 H new ATOM 0 HA SER A 67 1.693 15.264 10.407 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.589 16.473 8.267 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.161 16.388 8.263 1.00 0.00 H new ATOM 0 HG SER A 67 0.617 18.424 9.054 1.00 0.00 H new ATOM 1006 N LYS A 68 -1.597 14.960 10.293 1.00 0.00 N ATOM 1007 CA LYS A 68 -2.801 14.947 11.116 1.00 0.00 C ATOM 1008 C LYS A 68 -2.713 13.878 12.201 1.00 0.00 C ATOM 1009 O LYS A 68 -3.333 14.002 13.257 1.00 0.00 O ATOM 1010 CB LYS A 68 -4.036 14.703 10.246 1.00 0.00 C ATOM 1011 CG LYS A 68 -4.297 15.809 9.236 1.00 0.00 C ATOM 1012 CD LYS A 68 -4.787 17.078 9.917 1.00 0.00 C ATOM 1013 CE LYS A 68 -5.589 17.951 8.962 1.00 0.00 C ATOM 1014 NZ LYS A 68 -5.029 19.326 8.866 1.00 0.00 N ATOM 0 H LYS A 68 -1.754 14.723 9.313 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.888 15.921 11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.915 13.759 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.909 14.597 10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.383 16.021 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.038 15.474 8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.404 16.816 10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.934 17.641 10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.599 17.493 7.973 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.624 18.003 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.603 19.889 8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.043 19.773 9.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.050 19.279 8.519 1.00 0.00 H new ATOM 1028 N SER A 69 -1.942 12.827 11.935 1.00 0.00 N ATOM 1029 CA SER A 69 -1.782 11.735 12.891 1.00 0.00 C ATOM 1030 C SER A 69 -3.136 11.130 13.252 1.00 0.00 C ATOM 1031 O SER A 69 -3.301 10.541 14.320 1.00 0.00 O ATOM 1032 CB SER A 69 -1.080 12.236 14.154 1.00 0.00 C ATOM 1033 OG SER A 69 -0.111 13.221 13.844 1.00 0.00 O ATOM 0 H SER A 69 -1.419 12.708 11.067 1.00 0.00 H new ATOM 0 HA SER A 69 -1.170 10.962 12.427 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.816 12.650 14.843 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.602 11.400 14.664 1.00 0.00 H new ATOM 0 HG SER A 69 0.322 13.525 14.669 1.00 0.00 H new ATOM 1039 N LYS A 70 -4.103 11.288 12.354 1.00 0.00 N ATOM 1040 CA LYS A 70 -5.449 10.768 12.566 1.00 0.00 C ATOM 1041 C LYS A 70 -5.949 10.046 11.322 1.00 0.00 C ATOM 1042 O LYS A 70 -5.332 10.120 10.259 1.00 0.00 O ATOM 1043 CB LYS A 70 -6.412 11.903 12.925 1.00 0.00 C ATOM 1044 CG LYS A 70 -5.892 12.833 14.009 1.00 0.00 C ATOM 1045 CD LYS A 70 -6.063 14.292 13.620 1.00 0.00 C ATOM 1046 CE LYS A 70 -7.422 14.826 14.042 1.00 0.00 C ATOM 1047 NZ LYS A 70 -7.378 15.460 15.389 1.00 0.00 N ATOM 0 H LYS A 70 -3.978 11.775 11.467 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.410 10.059 13.393 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.620 12.487 12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.359 11.473 13.252 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.422 12.639 14.941 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.838 12.626 14.193 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.277 14.888 14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.948 14.398 12.541 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.769 15.555 13.309 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.146 14.011 14.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.325 15.811 15.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.072 14.758 16.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.707 16.254 15.377 1.00 0.00 H new ATOM 1061 N HIS A 71 -7.075 9.354 11.458 1.00 0.00 N ATOM 1062 CA HIS A 71 -7.660 8.627 10.340 1.00 0.00 C ATOM 1063 C HIS A 71 -8.509 9.572 9.498 1.00 0.00 C ATOM 1064 O HIS A 71 -9.377 10.273 10.019 1.00 0.00 O ATOM 1065 CB HIS A 71 -8.512 7.462 10.850 1.00 0.00 C ATOM 1066 CG HIS A 71 -9.695 7.892 11.660 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -9.772 8.422 12.904 1.00 0.00 N flip ATOM 1068 CD2 HIS A 71 -10.994 7.796 11.207 1.00 0.00 C flip ATOM 1069 CE1 HIS A 71 -11.102 8.634 13.175 1.00 0.00 C flip ATOM 1070 NE2 HIS A 71 -11.818 8.249 12.135 1.00 0.00 N flip ATOM 0 H HIS A 71 -7.599 9.282 12.330 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.858 8.223 9.722 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.859 6.877 9.998 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -7.888 6.804 11.455 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -11.292 7.410 10.243 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.498 9.048 14.090 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -12.834 8.294 12.061 1.00 0.00 H new ATOM 1079 N TYR A 72 -8.237 9.609 8.197 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.962 10.495 7.295 1.00 0.00 C ATOM 1081 C TYR A 72 -9.763 9.715 6.255 1.00 0.00 C ATOM 1082 O TYR A 72 -9.186 9.066 5.382 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.970 11.416 6.577 1.00 0.00 C ATOM 1084 CG TYR A 72 -8.030 12.860 7.018 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -7.692 13.227 8.314 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -8.416 13.859 6.132 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -7.738 14.548 8.718 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -8.464 15.183 6.526 1.00 0.00 C ATOM 1089 CZ TYR A 72 -8.126 15.522 7.820 1.00 0.00 C ATOM 1090 OH TYR A 72 -8.173 16.839 8.217 1.00 0.00 O ATOM 0 H TYR A 72 -7.522 9.038 7.746 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.661 11.079 7.894 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.960 11.040 6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.159 11.368 5.505 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.388 12.467 9.018 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.683 13.596 5.119 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.472 14.816 9.730 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.764 15.948 5.825 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.464 17.397 7.466 1.00 0.00 H new ATOM 1100 N PRO A 73 -11.106 9.790 6.305 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.965 9.113 5.339 1.00 0.00 C ATOM 1102 C PRO A 73 -11.991 9.882 4.024 1.00 0.00 C ATOM 1103 O PRO A 73 -12.352 11.059 3.996 1.00 0.00 O ATOM 1104 CB PRO A 73 -13.353 9.122 6.002 1.00 0.00 C ATOM 1105 CG PRO A 73 -13.159 9.735 7.355 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.898 10.546 7.277 1.00 0.00 C ATOM 0 HA PRO A 73 -11.623 8.106 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.064 9.698 5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.753 8.111 6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.009 10.363 7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.078 8.965 8.122 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.089 11.565 6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.398 10.616 8.243 1.00 0.00 H new ATOM 1114 N VAL A 74 -11.579 9.233 2.944 1.00 0.00 N ATOM 1115 CA VAL A 74 -11.532 9.892 1.645 1.00 0.00 C ATOM 1116 C VAL A 74 -12.051 9.001 0.524 1.00 0.00 C ATOM 1117 O VAL A 74 -11.939 7.776 0.580 1.00 0.00 O ATOM 1118 CB VAL A 74 -10.091 10.321 1.307 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -10.046 11.098 0.002 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -9.495 11.137 2.444 1.00 0.00 C ATOM 0 H VAL A 74 -11.275 8.259 2.940 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.179 10.766 1.719 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.490 9.421 1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.018 11.389 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.423 10.472 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.665 11.991 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.477 11.431 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.100 12.029 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.480 10.537 3.354 1.00 0.00 H new ATOM 1130 N SER A 75 -12.598 9.637 -0.507 1.00 0.00 N ATOM 1131 CA SER A 75 -13.112 8.924 -1.667 1.00 0.00 C ATOM 1132 C SER A 75 -12.077 8.954 -2.782 1.00 0.00 C ATOM 1133 O SER A 75 -11.489 9.999 -3.063 1.00 0.00 O ATOM 1134 CB SER A 75 -14.423 9.550 -2.147 1.00 0.00 C ATOM 1135 OG SER A 75 -15.371 9.620 -1.096 1.00 0.00 O ATOM 0 H SER A 75 -12.696 10.651 -0.561 1.00 0.00 H new ATOM 0 HA SER A 75 -13.311 7.890 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.231 10.550 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.830 8.962 -2.970 1.00 0.00 H new ATOM 0 HG SER A 75 -16.199 10.025 -1.429 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.838 7.809 -3.405 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.851 7.732 -4.475 1.00 0.00 C ATOM 1143 C PHE A 76 -11.252 6.739 -5.553 1.00 0.00 C ATOM 1144 O PHE A 76 -12.239 6.015 -5.424 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.473 7.350 -3.918 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.511 6.496 -2.678 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.482 5.520 -2.511 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.568 6.673 -1.678 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -10.510 4.741 -1.370 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.592 5.899 -0.536 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.565 4.931 -0.382 1.00 0.00 C ATOM 0 H PHE A 76 -12.308 6.929 -3.192 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.801 8.723 -4.927 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.918 6.819 -4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.919 8.263 -3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.224 5.367 -3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.804 7.427 -1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.271 3.984 -1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.852 6.050 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.586 4.323 0.511 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.456 6.711 -6.615 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.688 5.809 -7.735 1.00 0.00 C ATOM 1163 C GLU A 77 -9.585 4.761 -7.787 1.00 0.00 C ATOM 1164 O GLU A 77 -8.505 4.965 -7.232 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.736 6.590 -9.050 1.00 0.00 C ATOM 1166 CG GLU A 77 -11.574 5.916 -10.126 1.00 0.00 C ATOM 1167 CD GLU A 77 -12.757 6.760 -10.560 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -13.544 7.174 -9.683 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -12.896 7.006 -11.777 1.00 0.00 O ATOM 0 H GLU A 77 -9.637 7.309 -6.724 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.648 5.312 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.138 7.585 -8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.720 6.723 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.946 5.706 -10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.934 4.957 -9.753 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.855 3.638 -8.443 1.00 0.00 N ATOM 1177 CA GLY A 78 -8.858 2.584 -8.531 1.00 0.00 C ATOM 1178 C GLY A 78 -8.326 2.364 -9.938 1.00 0.00 C ATOM 1179 O GLY A 78 -8.560 1.310 -10.528 1.00 0.00 O ATOM 0 H GLY A 78 -10.738 3.438 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.025 2.827 -7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.293 1.653 -8.166 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.592 3.341 -10.508 1.00 0.00 N ATOM 1184 CA PRO A 79 -7.029 3.215 -11.854 1.00 0.00 C ATOM 1185 C PRO A 79 -5.940 2.150 -11.926 1.00 0.00 C ATOM 1186 O PRO A 79 -5.112 2.021 -11.015 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.428 4.598 -12.145 1.00 0.00 C ATOM 1188 CG PRO A 79 -6.949 5.502 -11.079 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.257 4.632 -9.896 1.00 0.00 C ATOM 0 HA PRO A 79 -7.789 2.911 -12.574 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.339 4.562 -12.129 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.720 4.951 -13.134 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -6.212 6.262 -10.820 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.842 6.027 -11.418 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.403 4.549 -9.224 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.087 5.028 -9.310 1.00 0.00 H new ATOM 1197 N GLY A 80 -5.943 1.391 -13.016 1.00 0.00 N ATOM 1198 CA GLY A 80 -4.954 0.348 -13.197 1.00 0.00 C ATOM 1199 C GLY A 80 -3.536 0.880 -13.143 1.00 0.00 C ATOM 1200 O GLY A 80 -2.930 0.942 -12.075 1.00 0.00 O ATOM 0 H GLY A 80 -6.615 1.481 -13.778 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.084 -0.410 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.119 -0.142 -14.156 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.005 1.265 -14.298 1.00 0.00 N ATOM 1205 CA LEU A 81 -1.647 1.788 -14.368 1.00 0.00 C ATOM 1206 C LEU A 81 -1.626 3.312 -14.325 1.00 0.00 C ATOM 1207 O LEU A 81 -2.182 3.977 -15.199 1.00 0.00 O ATOM 1208 CB LEU A 81 -0.955 1.305 -15.639 1.00 0.00 C ATOM 1209 CG LEU A 81 0.497 0.863 -15.451 1.00 0.00 C ATOM 1210 CD1 LEU A 81 1.269 1.852 -14.586 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.556 -0.532 -14.851 1.00 0.00 C ATOM 0 H LEU A 81 -3.491 1.225 -15.194 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.111 1.415 -13.495 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.523 0.471 -16.051 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.983 2.106 -16.378 1.00 0.00 H new ATOM 0 HG LEU A 81 0.970 0.840 -16.433 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.297 1.509 -14.471 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.264 2.833 -15.062 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.798 1.922 -13.605 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.597 -0.830 -14.724 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.058 -0.532 -13.881 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.056 -1.236 -15.516 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.959 3.858 -13.314 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.838 5.304 -13.169 1.00 0.00 C ATOM 1225 C VAL A 82 0.628 5.702 -13.092 1.00 0.00 C ATOM 1226 O VAL A 82 1.364 5.232 -12.224 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.568 5.821 -11.912 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.617 7.342 -11.909 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -2.971 5.239 -11.831 1.00 0.00 C ATOM 0 H VAL A 82 -0.494 3.321 -12.582 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.304 5.755 -14.045 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.011 5.495 -11.033 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.136 7.688 -11.015 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.602 7.739 -11.916 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.149 7.691 -12.794 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.470 5.615 -10.938 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.538 5.532 -12.714 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.912 4.152 -11.783 1.00 0.00 H new ATOM 1239 N GLU A 83 1.053 6.567 -14.005 1.00 0.00 N ATOM 1240 CA GLU A 83 2.437 7.019 -14.033 1.00 0.00 C ATOM 1241 C GLU A 83 2.710 7.970 -12.877 1.00 0.00 C ATOM 1242 O GLU A 83 2.248 9.110 -12.876 1.00 0.00 O ATOM 1243 CB GLU A 83 2.746 7.708 -15.363 1.00 0.00 C ATOM 1244 CG GLU A 83 1.695 8.724 -15.782 1.00 0.00 C ATOM 1245 CD GLU A 83 2.267 9.831 -16.646 1.00 0.00 C ATOM 1246 OE1 GLU A 83 2.933 10.731 -16.093 1.00 0.00 O ATOM 1247 OE2 GLU A 83 2.047 9.799 -17.875 1.00 0.00 O ATOM 0 H GLU A 83 0.461 6.968 -14.733 1.00 0.00 H new ATOM 0 HA GLU A 83 3.085 6.148 -13.930 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.712 8.207 -15.288 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.838 6.951 -16.142 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.901 8.215 -16.328 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.241 9.160 -14.892 1.00 0.00 H new ATOM 1254 N VAL A 84 3.462 7.492 -11.893 1.00 0.00 N ATOM 1255 CA VAL A 84 3.792 8.301 -10.731 1.00 0.00 C ATOM 1256 C VAL A 84 4.808 9.376 -11.090 1.00 0.00 C ATOM 1257 O VAL A 84 5.889 9.077 -11.595 1.00 0.00 O ATOM 1258 CB VAL A 84 4.350 7.445 -9.578 1.00 0.00 C ATOM 1259 CG1 VAL A 84 3.233 6.673 -8.893 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.429 6.500 -10.079 1.00 0.00 C ATOM 0 H VAL A 84 3.853 6.550 -11.878 1.00 0.00 H new ATOM 0 HA VAL A 84 2.865 8.770 -10.400 1.00 0.00 H new ATOM 0 HB VAL A 84 4.801 8.115 -8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.648 6.075 -8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.501 7.373 -8.490 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.748 6.017 -9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.808 5.906 -9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.010 5.838 -10.836 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.245 7.077 -10.514 1.00 0.00 H new ATOM 1270 N GLN A 85 4.445 10.626 -10.823 1.00 0.00 N ATOM 1271 CA GLN A 85 5.312 11.763 -11.112 1.00 0.00 C ATOM 1272 C GLN A 85 6.520 11.766 -10.187 1.00 0.00 C ATOM 1273 O GLN A 85 6.448 11.282 -9.056 1.00 0.00 O ATOM 1274 CB GLN A 85 4.538 13.074 -10.966 1.00 0.00 C ATOM 1275 CG GLN A 85 5.367 14.309 -11.281 1.00 0.00 C ATOM 1276 CD GLN A 85 4.624 15.599 -10.992 1.00 0.00 C ATOM 1277 OE1 GLN A 85 3.846 16.078 -11.815 1.00 0.00 O ATOM 1278 NE2 GLN A 85 4.865 16.168 -9.816 1.00 0.00 N ATOM 0 H GLN A 85 3.550 10.879 -10.404 1.00 0.00 H new ATOM 0 HA GLN A 85 5.662 11.672 -12.140 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.672 13.050 -11.627 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.159 13.151 -9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.286 14.284 -10.695 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.658 14.289 -12.331 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.519 15.734 -9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.396 17.038 -9.565 1.00 0.00 H new ATOM 1287 N GLU A 86 7.637 12.300 -10.671 1.00 0.00 N ATOM 1288 CA GLU A 86 8.854 12.341 -9.874 1.00 0.00 C ATOM 1289 C GLU A 86 8.683 13.287 -8.694 1.00 0.00 C ATOM 1290 O GLU A 86 8.753 14.508 -8.841 1.00 0.00 O ATOM 1291 CB GLU A 86 10.039 12.790 -10.734 1.00 0.00 C ATOM 1292 CG GLU A 86 11.347 12.891 -9.966 1.00 0.00 C ATOM 1293 CD GLU A 86 12.381 13.735 -10.686 1.00 0.00 C ATOM 1294 OE1 GLU A 86 12.819 13.330 -11.784 1.00 0.00 O ATOM 1295 OE2 GLU A 86 12.754 14.800 -10.152 1.00 0.00 O ATOM 0 H GLU A 86 7.723 12.706 -11.603 1.00 0.00 H new ATOM 0 HA GLU A 86 9.052 11.338 -9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.165 12.088 -11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.810 13.761 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.155 13.319 -8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.748 11.890 -9.805 1.00 0.00 H new ATOM 1302 N SER A 87 8.453 12.708 -7.520 1.00 0.00 N ATOM 1303 CA SER A 87 8.265 13.489 -6.304 1.00 0.00 C ATOM 1304 C SER A 87 8.867 12.781 -5.096 1.00 0.00 C ATOM 1305 O SER A 87 9.144 11.583 -5.143 1.00 0.00 O ATOM 1306 CB SER A 87 6.776 13.748 -6.066 1.00 0.00 C ATOM 1307 OG SER A 87 6.320 14.849 -6.832 1.00 0.00 O ATOM 0 H SER A 87 8.392 11.699 -7.386 1.00 0.00 H new ATOM 0 HA SER A 87 8.780 14.441 -6.434 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.203 12.858 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.602 13.941 -5.007 1.00 0.00 H new ATOM 0 HG SER A 87 6.927 14.996 -7.587 1.00 0.00 H new ATOM 1313 N GLU A 88 9.049 13.528 -4.010 1.00 0.00 N ATOM 1314 CA GLU A 88 9.601 12.977 -2.776 1.00 0.00 C ATOM 1315 C GLU A 88 10.960 12.318 -3.014 1.00 0.00 C ATOM 1316 O GLU A 88 12.003 12.923 -2.764 1.00 0.00 O ATOM 1317 CB GLU A 88 8.617 11.975 -2.161 1.00 0.00 C ATOM 1318 CG GLU A 88 8.729 11.862 -0.650 1.00 0.00 C ATOM 1319 CD GLU A 88 7.831 12.843 0.077 1.00 0.00 C ATOM 1320 OE1 GLU A 88 8.188 14.038 0.141 1.00 0.00 O ATOM 1321 OE2 GLU A 88 6.771 12.417 0.582 1.00 0.00 O ATOM 0 H GLU A 88 8.821 14.521 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 88 9.754 13.800 -2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.600 12.271 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.786 10.994 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.473 10.847 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.764 12.033 -0.352 1.00 0.00 H new ATOM 1328 N TYR A 89 10.944 11.078 -3.496 1.00 0.00 N ATOM 1329 CA TYR A 89 12.175 10.344 -3.765 1.00 0.00 C ATOM 1330 C TYR A 89 11.938 9.244 -4.795 1.00 0.00 C ATOM 1331 O TYR A 89 12.671 8.256 -4.841 1.00 0.00 O ATOM 1332 CB TYR A 89 12.721 9.734 -2.471 1.00 0.00 C ATOM 1333 CG TYR A 89 11.656 9.092 -1.608 1.00 0.00 C ATOM 1334 CD1 TYR A 89 10.863 8.063 -2.100 1.00 0.00 C ATOM 1335 CD2 TYR A 89 11.441 9.521 -0.305 1.00 0.00 C ATOM 1336 CE1 TYR A 89 9.888 7.476 -1.316 1.00 0.00 C ATOM 1337 CE2 TYR A 89 10.467 8.938 0.485 1.00 0.00 C ATOM 1338 CZ TYR A 89 9.694 7.917 -0.024 1.00 0.00 C ATOM 1339 OH TYR A 89 8.723 7.336 0.759 1.00 0.00 O ATOM 0 H TYR A 89 10.091 10.561 -3.708 1.00 0.00 H new ATOM 0 HA TYR A 89 12.906 11.045 -4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.474 8.986 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.223 10.512 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 89 11.011 7.716 -3.112 1.00 0.00 H new ATOM 0 HD2 TYR A 89 12.043 10.322 0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.281 6.676 -1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.313 9.282 1.497 1.00 0.00 H new ATOM 0 HH TYR A 89 8.717 7.761 1.642 1.00 0.00 H new ATOM 1349 N TYR A 90 10.907 9.418 -5.618 1.00 0.00 N ATOM 1350 CA TYR A 90 10.575 8.437 -6.642 1.00 0.00 C ATOM 1351 C TYR A 90 10.576 9.081 -8.027 1.00 0.00 C ATOM 1352 O TYR A 90 9.979 10.139 -8.222 1.00 0.00 O ATOM 1353 CB TYR A 90 9.205 7.818 -6.356 1.00 0.00 C ATOM 1354 CG TYR A 90 9.112 6.353 -6.719 1.00 0.00 C ATOM 1355 CD1 TYR A 90 8.924 5.954 -8.036 1.00 0.00 C ATOM 1356 CD2 TYR A 90 9.214 5.369 -5.744 1.00 0.00 C ATOM 1357 CE1 TYR A 90 8.837 4.615 -8.372 1.00 0.00 C ATOM 1358 CE2 TYR A 90 9.129 4.028 -6.071 1.00 0.00 C ATOM 1359 CZ TYR A 90 8.940 3.657 -7.385 1.00 0.00 C ATOM 1360 OH TYR A 90 8.855 2.325 -7.714 1.00 0.00 O ATOM 0 H TYR A 90 10.289 10.229 -5.594 1.00 0.00 H new ATOM 0 HA TYR A 90 11.332 7.653 -6.623 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.977 7.936 -5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 90 8.444 8.369 -6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.844 6.702 -8.811 1.00 0.00 H new ATOM 0 HD2 TYR A 90 9.362 5.656 -4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.689 4.321 -9.401 1.00 0.00 H new ATOM 0 HE2 TYR A 90 9.210 3.275 -5.301 1.00 0.00 H new ATOM 0 HH TYR A 90 9.454 1.807 -7.137 1.00 0.00 H new ATOM 1370 N PRO A 91 11.250 8.446 -9.007 1.00 0.00 N ATOM 1371 CA PRO A 91 11.333 8.953 -10.379 1.00 0.00 C ATOM 1372 C PRO A 91 10.103 8.599 -11.208 1.00 0.00 C ATOM 1373 O PRO A 91 9.480 7.562 -10.989 1.00 0.00 O ATOM 1374 CB PRO A 91 12.568 8.244 -10.925 1.00 0.00 C ATOM 1375 CG PRO A 91 12.585 6.933 -10.217 1.00 0.00 C ATOM 1376 CD PRO A 91 11.992 7.177 -8.851 1.00 0.00 C ATOM 0 HA PRO A 91 11.389 10.041 -10.415 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.505 8.112 -12.005 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.475 8.815 -10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 91 12.006 6.189 -10.764 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.602 6.549 -10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.332 6.363 -8.551 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.766 7.258 -8.088 1.00 0.00 H new ATOM 1384 N LYS A 92 9.759 9.471 -12.159 1.00 0.00 N ATOM 1385 CA LYS A 92 8.599 9.262 -13.031 1.00 0.00 C ATOM 1386 C LYS A 92 8.509 7.812 -13.506 1.00 0.00 C ATOM 1387 O LYS A 92 9.058 7.455 -14.548 1.00 0.00 O ATOM 1388 CB LYS A 92 8.674 10.199 -14.240 1.00 0.00 C ATOM 1389 CG LYS A 92 7.820 11.449 -14.094 1.00 0.00 C ATOM 1390 CD LYS A 92 6.727 11.506 -15.150 1.00 0.00 C ATOM 1391 CE LYS A 92 6.172 12.913 -15.301 1.00 0.00 C ATOM 1392 NZ LYS A 92 4.887 13.086 -14.569 1.00 0.00 N ATOM 0 H LYS A 92 10.270 10.334 -12.346 1.00 0.00 H new ATOM 0 HA LYS A 92 7.703 9.485 -12.451 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.712 10.494 -14.397 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.359 9.656 -15.131 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.370 11.469 -13.102 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.452 12.334 -14.175 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.125 11.166 -16.106 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.922 10.823 -14.879 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.901 13.633 -14.929 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.020 13.131 -16.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.811 14.066 -14.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.093 12.879 -15.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.859 12.435 -13.759 1.00 0.00 H new ATOM 1406 N ARG A 93 7.825 6.979 -12.726 1.00 0.00 N ATOM 1407 CA ARG A 93 7.678 5.564 -13.062 1.00 0.00 C ATOM 1408 C ARG A 93 6.211 5.141 -13.138 1.00 0.00 C ATOM 1409 O ARG A 93 5.311 5.893 -12.769 1.00 0.00 O ATOM 1410 CB ARG A 93 8.411 4.702 -12.032 1.00 0.00 C ATOM 1411 CG ARG A 93 9.040 3.452 -12.624 1.00 0.00 C ATOM 1412 CD ARG A 93 10.374 3.134 -11.967 1.00 0.00 C ATOM 1413 NE ARG A 93 10.625 1.697 -11.903 1.00 0.00 N ATOM 1414 CZ ARG A 93 11.828 1.161 -11.712 1.00 0.00 C ATOM 1415 NH1 ARG A 93 12.893 1.941 -11.567 1.00 0.00 N ATOM 1416 NH2 ARG A 93 11.968 -0.156 -11.666 1.00 0.00 N ATOM 0 H ARG A 93 7.365 7.257 -11.859 1.00 0.00 H new ATOM 0 HA ARG A 93 8.117 5.416 -14.048 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.189 5.300 -11.557 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.710 4.411 -11.249 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.362 2.608 -12.499 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.185 3.589 -13.696 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.177 3.617 -12.524 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.390 3.550 -10.960 1.00 0.00 H new ATOM 0 HE ARG A 93 9.831 1.066 -12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.791 2.955 -11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.813 1.526 -11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.153 -0.760 -11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.890 -0.566 -11.520 1.00 0.00 H new ATOM 1430 N TYR A 94 5.993 3.920 -13.618 1.00 0.00 N ATOM 1431 CA TYR A 94 4.652 3.357 -13.751 1.00 0.00 C ATOM 1432 C TYR A 94 4.325 2.431 -12.581 1.00 0.00 C ATOM 1433 O TYR A 94 5.133 1.581 -12.214 1.00 0.00 O ATOM 1434 CB TYR A 94 4.539 2.584 -15.063 1.00 0.00 C ATOM 1435 CG TYR A 94 4.114 3.441 -16.226 1.00 0.00 C ATOM 1436 CD1 TYR A 94 4.728 4.660 -16.465 1.00 0.00 C ATOM 1437 CD2 TYR A 94 3.104 3.033 -17.083 1.00 0.00 C ATOM 1438 CE1 TYR A 94 4.347 5.453 -17.526 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.714 3.817 -18.149 1.00 0.00 C ATOM 1440 CZ TYR A 94 3.339 5.028 -18.368 1.00 0.00 C ATOM 1441 OH TYR A 94 2.955 5.815 -19.429 1.00 0.00 O ATOM 0 H TYR A 94 6.738 3.294 -13.925 1.00 0.00 H new ATOM 0 HA TYR A 94 3.938 4.181 -13.749 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.502 2.126 -15.291 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.822 1.773 -14.938 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.518 4.994 -15.809 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.614 2.086 -16.913 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.834 6.401 -17.698 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.925 3.485 -18.808 1.00 0.00 H new ATOM 0 HH TYR A 94 2.235 5.370 -19.922 1.00 0.00 H new ATOM 1451 N GLN A 95 3.139 2.604 -12.002 1.00 0.00 N ATOM 1452 CA GLN A 95 2.703 1.778 -10.875 1.00 0.00 C ATOM 1453 C GLN A 95 1.342 1.145 -11.158 1.00 0.00 C ATOM 1454 O GLN A 95 0.343 1.851 -11.290 1.00 0.00 O ATOM 1455 CB GLN A 95 2.628 2.617 -9.598 1.00 0.00 C ATOM 1456 CG GLN A 95 2.796 1.801 -8.328 1.00 0.00 C ATOM 1457 CD GLN A 95 4.232 1.766 -7.843 1.00 0.00 C ATOM 1458 OE1 GLN A 95 5.162 1.586 -8.630 1.00 0.00 O ATOM 1459 NE2 GLN A 95 4.421 1.940 -6.540 1.00 0.00 N ATOM 0 H GLN A 95 2.461 3.309 -12.294 1.00 0.00 H new ATOM 0 HA GLN A 95 3.435 0.982 -10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.400 3.386 -9.632 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.667 3.131 -9.566 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.162 2.219 -7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.452 0.782 -8.507 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.621 2.086 -5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.366 1.928 -6.156 1.00 0.00 H new ATOM 1468 N SER A 96 1.299 -0.187 -11.261 1.00 0.00 N ATOM 1469 CA SER A 96 0.037 -0.874 -11.541 1.00 0.00 C ATOM 1470 C SER A 96 -0.822 -1.024 -10.283 1.00 0.00 C ATOM 1471 O SER A 96 -0.310 -1.245 -9.186 1.00 0.00 O ATOM 1472 CB SER A 96 0.300 -2.252 -12.148 1.00 0.00 C ATOM 1473 OG SER A 96 0.821 -3.146 -11.181 1.00 0.00 O ATOM 0 H SER A 96 2.107 -0.800 -11.157 1.00 0.00 H new ATOM 0 HA SER A 96 -0.511 -0.259 -12.255 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.626 -2.655 -12.558 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.002 -2.159 -12.977 1.00 0.00 H new ATOM 0 HG SER A 96 1.083 -3.984 -11.617 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.138 -0.913 -10.466 1.00 0.00 N ATOM 1480 CA HIS A 97 -3.095 -1.048 -9.369 1.00 0.00 C ATOM 1481 C HIS A 97 -2.894 0.024 -8.299 1.00 0.00 C ATOM 1482 O HIS A 97 -2.630 -0.291 -7.137 1.00 0.00 O ATOM 1483 CB HIS A 97 -2.983 -2.439 -8.742 1.00 0.00 C ATOM 1484 CG HIS A 97 -3.821 -3.473 -9.428 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -3.437 -4.100 -10.595 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -5.030 -3.991 -9.106 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -4.374 -4.957 -10.962 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.350 -4.910 -10.075 1.00 0.00 N ATOM 0 H HIS A 97 -2.568 -0.728 -11.372 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.093 -0.914 -9.787 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.940 -2.755 -8.763 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.277 -2.381 -7.694 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.631 -3.730 -8.247 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.346 -5.588 -11.838 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.204 -5.467 -10.104 1.00 0.00 H new ATOM 1497 N VAL A 98 -3.037 1.289 -8.685 1.00 0.00 N ATOM 1498 CA VAL A 98 -2.881 2.389 -7.736 1.00 0.00 C ATOM 1499 C VAL A 98 -4.122 3.277 -7.709 1.00 0.00 C ATOM 1500 O VAL A 98 -4.615 3.698 -8.752 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.635 3.246 -8.052 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -1.823 4.037 -9.331 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.316 4.183 -6.899 1.00 0.00 C ATOM 0 H VAL A 98 -3.258 1.577 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.748 1.938 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.795 2.565 -8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.930 4.630 -9.527 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.992 3.351 -10.161 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.682 4.699 -9.226 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.435 4.776 -7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.163 4.847 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.121 3.599 -5.999 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.614 3.563 -6.507 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.790 4.407 -6.330 1.00 0.00 C ATOM 1515 C LEU A 99 -5.367 5.806 -5.911 1.00 0.00 C ATOM 1516 O LEU A 99 -4.344 5.977 -5.247 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.722 3.811 -5.274 1.00 0.00 C ATOM 1518 CG LEU A 99 -7.009 2.318 -5.430 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -5.941 1.492 -4.730 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.390 1.984 -4.883 1.00 0.00 C ATOM 0 H LEU A 99 -4.212 3.219 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.324 4.461 -7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.285 3.980 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.668 4.352 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.989 2.071 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.163 0.432 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.967 1.712 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.927 1.740 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.580 0.917 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.436 2.246 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.144 2.550 -5.430 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.144 6.811 -6.299 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.814 8.184 -5.949 1.00 0.00 C ATOM 1534 C LEU A 100 -6.994 8.909 -5.309 1.00 0.00 C ATOM 1535 O LEU A 100 -8.136 8.795 -5.763 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.310 8.937 -7.179 1.00 0.00 C ATOM 1537 CG LEU A 100 -3.786 8.940 -7.328 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.374 9.503 -8.671 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.146 9.743 -6.206 1.00 0.00 C ATOM 0 H LEU A 100 -6.996 6.702 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.018 8.155 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.751 8.491 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.662 9.968 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.439 7.909 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.287 9.494 -8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.802 8.894 -9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.736 10.527 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.063 9.736 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.508 10.770 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.408 9.299 -5.246 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.698 9.650 -4.238 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.710 10.401 -3.499 1.00 0.00 C ATOM 1553 C ALA A 101 -7.332 11.870 -3.379 1.00 0.00 C ATOM 1554 O ALA A 101 -6.264 12.200 -2.870 1.00 0.00 O ATOM 1555 CB ALA A 101 -7.883 9.811 -2.108 1.00 0.00 C ATOM 0 H ALA A 101 -5.755 9.745 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.647 10.329 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.639 10.377 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.198 8.771 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.936 9.862 -1.571 1.00 0.00 H new ATOM 1561 N THR A 102 -8.216 12.752 -3.827 1.00 0.00 N ATOM 1562 CA THR A 102 -7.960 14.184 -3.744 1.00 0.00 C ATOM 1563 C THR A 102 -8.628 14.779 -2.506 1.00 0.00 C ATOM 1564 O THR A 102 -9.854 14.839 -2.419 1.00 0.00 O ATOM 1565 CB THR A 102 -8.456 14.889 -5.007 1.00 0.00 C ATOM 1566 OG1 THR A 102 -8.494 16.292 -4.816 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.838 14.447 -5.440 1.00 0.00 C ATOM 0 H THR A 102 -9.111 12.504 -4.249 1.00 0.00 H new ATOM 0 HA THR A 102 -6.884 14.336 -3.661 1.00 0.00 H new ATOM 0 HB THR A 102 -7.745 14.615 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.812 16.725 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.127 14.987 -6.342 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.830 13.377 -5.645 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.553 14.659 -4.645 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.809 15.214 -1.550 1.00 0.00 N ATOM 1576 CA GLY A 103 -8.332 15.795 -0.323 1.00 0.00 C ATOM 1577 C GLY A 103 -9.390 16.853 -0.577 1.00 0.00 C ATOM 1578 O GLY A 103 -9.363 17.534 -1.601 1.00 0.00 O ATOM 0 H GLY A 103 -6.791 15.174 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.757 15.004 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.512 16.237 0.243 1.00 0.00 H new ATOM 1582 N PHE A 104 -10.322 16.990 0.360 1.00 0.00 N ATOM 1583 CA PHE A 104 -11.393 17.971 0.235 1.00 0.00 C ATOM 1584 C PHE A 104 -10.852 19.389 0.393 1.00 0.00 C ATOM 1585 O PHE A 104 -10.787 20.150 -0.572 1.00 0.00 O ATOM 1586 CB PHE A 104 -12.480 17.705 1.280 1.00 0.00 C ATOM 1587 CG PHE A 104 -13.808 17.334 0.683 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -14.540 18.262 -0.040 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -14.323 16.057 0.844 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -15.762 17.923 -0.591 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -15.544 15.713 0.296 1.00 0.00 C ATOM 1592 CZ PHE A 104 -16.264 16.648 -0.422 1.00 0.00 C ATOM 0 H PHE A 104 -10.357 16.434 1.214 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.826 17.877 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.150 16.902 1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.604 18.594 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.152 19.261 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.763 15.323 1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.323 18.655 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.935 14.715 0.429 1.00 0.00 H new ATOM 0 HZ PHE A 104 -17.219 16.382 -0.851 1.00 0.00 H new ATOM 1602 N SER A 105 -10.464 19.737 1.615 1.00 0.00 N ATOM 1603 CA SER A 105 -9.929 21.063 1.899 1.00 0.00 C ATOM 1604 C SER A 105 -8.779 20.982 2.900 1.00 0.00 C ATOM 1605 O SER A 105 -8.801 20.168 3.821 1.00 0.00 O ATOM 1606 CB SER A 105 -11.030 21.975 2.443 1.00 0.00 C ATOM 1607 OG SER A 105 -11.968 22.301 1.432 1.00 0.00 O ATOM 0 H SER A 105 -10.510 19.119 2.425 1.00 0.00 H new ATOM 0 HA SER A 105 -9.548 21.481 0.967 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.539 21.481 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.587 22.888 2.840 1.00 0.00 H new ATOM 0 HG SER A 105 -12.662 22.883 1.805 1.00 0.00 H new ATOM 1613 N GLU A 106 -7.777 21.834 2.709 1.00 0.00 N ATOM 1614 CA GLU A 106 -6.618 21.861 3.593 1.00 0.00 C ATOM 1615 C GLU A 106 -5.899 20.513 3.589 1.00 0.00 C ATOM 1616 O GLU A 106 -6.067 19.706 4.503 1.00 0.00 O ATOM 1617 CB GLU A 106 -7.045 22.226 5.017 1.00 0.00 C ATOM 1618 CG GLU A 106 -6.125 23.233 5.689 1.00 0.00 C ATOM 1619 CD GLU A 106 -5.274 22.609 6.778 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -4.417 21.762 6.449 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -5.464 22.968 7.959 1.00 0.00 O ATOM 0 H GLU A 106 -7.745 22.515 1.950 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.927 22.620 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.057 22.631 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.080 21.319 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.475 23.683 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.723 24.037 6.117 1.00 0.00 H new ATOM 1628 N PRO A 107 -5.082 20.252 2.552 1.00 0.00 N ATOM 1629 CA PRO A 107 -4.337 18.995 2.431 1.00 0.00 C ATOM 1630 C PRO A 107 -3.207 18.891 3.450 1.00 0.00 C ATOM 1631 O PRO A 107 -2.795 19.889 4.041 1.00 0.00 O ATOM 1632 CB PRO A 107 -3.772 19.053 1.011 1.00 0.00 C ATOM 1633 CG PRO A 107 -3.676 20.506 0.702 1.00 0.00 C ATOM 1634 CD PRO A 107 -4.825 21.160 1.419 1.00 0.00 C ATOM 0 HA PRO A 107 -4.969 18.127 2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -2.796 18.570 0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.424 18.540 0.304 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.723 20.914 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.736 20.681 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -4.568 22.163 1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -5.699 21.256 0.774 1.00 0.00 H new ATOM 1642 N GLY A 108 -2.708 17.675 3.650 1.00 0.00 N ATOM 1643 CA GLY A 108 -1.629 17.461 4.598 1.00 0.00 C ATOM 1644 C GLY A 108 -0.751 16.285 4.218 1.00 0.00 C ATOM 1645 O GLY A 108 -0.959 15.655 3.181 1.00 0.00 O ATOM 0 H GLY A 108 -3.032 16.834 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -1.019 18.362 4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.048 17.292 5.590 1.00 0.00 H new ATOM 1649 N ASP A 109 0.234 15.988 5.060 1.00 0.00 N ATOM 1650 CA ASP A 109 1.148 14.879 4.807 1.00 0.00 C ATOM 1651 C ASP A 109 0.420 13.543 4.903 1.00 0.00 C ATOM 1652 O ASP A 109 -0.681 13.461 5.448 1.00 0.00 O ATOM 1653 CB ASP A 109 2.311 14.913 5.800 1.00 0.00 C ATOM 1654 CG ASP A 109 3.103 16.202 5.718 1.00 0.00 C ATOM 1655 OD1 ASP A 109 2.587 17.247 6.170 1.00 0.00 O ATOM 1656 OD2 ASP A 109 4.242 16.168 5.205 1.00 0.00 O ATOM 0 H ASP A 109 0.420 16.499 5.923 1.00 0.00 H new ATOM 0 HA ASP A 109 1.540 14.986 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.925 14.791 6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.974 14.069 5.608 1.00 0.00 H new ATOM 1661 N ALA A 110 1.041 12.497 4.369 1.00 0.00 N ATOM 1662 CA ALA A 110 0.452 11.164 4.394 1.00 0.00 C ATOM 1663 C ALA A 110 1.523 10.086 4.260 1.00 0.00 C ATOM 1664 O ALA A 110 2.431 10.197 3.436 1.00 0.00 O ATOM 1665 CB ALA A 110 -0.581 11.023 3.286 1.00 0.00 C ATOM 0 H ALA A 110 1.952 12.547 3.914 1.00 0.00 H new ATOM 0 HA ALA A 110 -0.042 11.031 5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.013 10.023 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.369 11.763 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.102 11.182 2.320 1.00 0.00 H new ATOM 1671 N GLY A 111 1.411 9.044 5.078 1.00 0.00 N ATOM 1672 CA GLY A 111 2.377 7.961 5.035 1.00 0.00 C ATOM 1673 C GLY A 111 1.913 6.739 5.803 1.00 0.00 C ATOM 1674 O GLY A 111 1.823 6.767 7.030 1.00 0.00 O ATOM 0 H GLY A 111 0.670 8.930 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 111 2.563 7.685 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.325 8.307 5.447 1.00 0.00 H new ATOM 1678 N GLY A 112 1.616 5.665 5.079 1.00 0.00 N ATOM 1679 CA GLY A 112 1.163 4.444 5.717 1.00 0.00 C ATOM 1680 C GLY A 112 0.426 3.528 4.759 1.00 0.00 C ATOM 1681 O GLY A 112 0.820 3.385 3.601 1.00 0.00 O ATOM 0 H GLY A 112 1.681 5.619 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.021 3.915 6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.508 4.695 6.551 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.645 2.907 5.241 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.438 2.001 4.418 1.00 0.00 C ATOM 1687 C ILE A 113 -2.894 2.450 4.352 1.00 0.00 C ATOM 1688 O ILE A 113 -3.437 2.976 5.323 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.383 0.555 4.953 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -1.891 0.502 6.395 1.00 0.00 C ATOM 1691 CG2 ILE A 113 0.035 0.007 4.864 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -1.865 -0.887 6.994 1.00 0.00 C ATOM 0 H ILE A 113 -0.984 3.014 6.197 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.005 2.026 3.418 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.030 -0.068 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.284 1.166 7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.912 0.883 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.055 -1.014 5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.363 0.012 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.704 0.630 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.239 -0.849 8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.495 -1.550 6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.842 -1.264 6.995 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.522 2.232 3.201 1.00 0.00 N ATOM 1705 CA LEU A 114 -4.919 2.607 3.006 1.00 0.00 C ATOM 1706 C LEU A 114 -5.839 1.475 3.454 1.00 0.00 C ATOM 1707 O LEU A 114 -5.747 0.356 2.952 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.167 2.953 1.532 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.634 2.969 1.089 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.472 3.833 2.018 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -6.747 3.459 -0.346 1.00 0.00 C ATOM 0 H LEU A 114 -3.086 1.797 2.388 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.138 3.486 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.736 3.934 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.628 2.235 0.914 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.018 1.950 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.509 3.828 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.417 3.437 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.092 4.854 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -7.795 3.465 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.343 4.469 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.185 2.795 -1.003 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.713 1.766 4.412 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.632 0.760 4.931 1.00 0.00 C ATOM 1725 C ARG A 115 -9.090 1.142 4.693 1.00 0.00 C ATOM 1726 O ARG A 115 -9.446 2.322 4.673 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.391 0.548 6.427 1.00 0.00 C ATOM 1728 CG ARG A 115 -7.633 1.792 7.266 1.00 0.00 C ATOM 1729 CD ARG A 115 -7.833 1.448 8.733 1.00 0.00 C ATOM 1730 NE ARG A 115 -9.043 2.056 9.279 1.00 0.00 N ATOM 1731 CZ ARG A 115 -10.270 1.585 9.067 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -10.454 0.500 8.326 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -11.317 2.200 9.600 1.00 0.00 N ATOM 0 H ARG A 115 -6.804 2.686 4.843 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.438 -0.167 4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.042 -0.251 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.365 0.213 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.787 2.471 7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.511 2.318 6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.889 0.365 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.969 1.785 9.305 1.00 0.00 H new ATOM 0 HE ARG A 115 -8.942 2.891 9.857 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -9.653 0.021 7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -11.397 0.144 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.182 3.034 10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -12.257 1.839 9.438 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.930 0.125 4.529 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.357 0.322 4.310 1.00 0.00 C ATOM 1749 C CYS A 116 -12.142 -0.172 5.518 1.00 0.00 C ATOM 1750 O CYS A 116 -11.618 -0.920 6.344 1.00 0.00 O ATOM 1751 CB CYS A 116 -11.815 -0.423 3.054 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.383 0.185 2.349 1.00 0.00 S ATOM 0 H CYS A 116 -9.642 -0.853 4.544 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.542 1.387 4.172 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -11.036 -0.346 2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.924 -1.481 3.293 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.401 0.237 5.616 1.00 0.00 N ATOM 1758 CA GLU A 117 -14.250 -0.181 6.725 1.00 0.00 C ATOM 1759 C GLU A 117 -14.370 -1.704 6.780 1.00 0.00 C ATOM 1760 O GLU A 117 -14.775 -2.266 7.798 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.638 0.452 6.598 1.00 0.00 C ATOM 1762 CG GLU A 117 -16.012 1.338 7.776 1.00 0.00 C ATOM 1763 CD GLU A 117 -17.414 1.903 7.659 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -17.753 2.429 6.578 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -18.172 1.820 8.648 1.00 0.00 O ATOM 0 H GLU A 117 -13.855 0.855 4.944 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.788 0.159 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.677 1.043 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -16.381 -0.339 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.932 0.763 8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.299 2.159 7.849 1.00 0.00 H new ATOM 1772 N HIS A 118 -14.024 -2.367 5.678 1.00 0.00 N ATOM 1773 CA HIS A 118 -14.102 -3.820 5.602 1.00 0.00 C ATOM 1774 C HIS A 118 -12.755 -4.475 5.916 1.00 0.00 C ATOM 1775 O HIS A 118 -12.709 -5.585 6.444 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.580 -4.241 4.212 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.828 -3.536 3.772 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.862 -2.195 3.445 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -17.092 -3.992 3.606 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -17.091 -1.858 3.098 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.856 -2.930 3.187 1.00 0.00 N ATOM 0 H HIS A 118 -13.687 -1.918 4.826 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.817 -4.158 6.352 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.788 -4.046 3.489 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.758 -5.316 4.208 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -15.062 -1.563 3.468 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.436 -5.002 3.772 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.415 -0.874 2.794 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.661 -3.786 5.592 1.00 0.00 N ATOM 1790 CA GLY A 119 -10.339 -4.335 5.856 1.00 0.00 C ATOM 1791 C GLY A 119 -9.218 -3.449 5.353 1.00 0.00 C ATOM 1792 O GLY A 119 -9.301 -2.225 5.418 1.00 0.00 O ATOM 0 H GLY A 119 -11.666 -2.864 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.222 -4.485 6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.258 -5.315 5.386 1.00 0.00 H new ATOM 1796 N VAL A 120 -8.164 -4.083 4.853 1.00 0.00 N ATOM 1797 CA VAL A 120 -7.003 -3.369 4.331 1.00 0.00 C ATOM 1798 C VAL A 120 -7.061 -3.268 2.809 1.00 0.00 C ATOM 1799 O VAL A 120 -7.363 -4.244 2.126 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.683 -4.067 4.723 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.507 -3.127 4.535 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.736 -4.584 6.155 1.00 0.00 C ATOM 0 H VAL A 120 -8.089 -5.099 4.798 1.00 0.00 H new ATOM 0 HA VAL A 120 -7.028 -2.372 4.770 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.549 -4.925 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.585 -3.636 4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.449 -2.822 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.641 -2.246 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.792 -5.070 6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.903 -3.750 6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.550 -5.302 6.253 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.766 -2.084 2.282 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.778 -1.871 0.840 1.00 0.00 C ATOM 1814 C ILE A 121 -5.393 -2.108 0.246 1.00 0.00 C ATOM 1815 O ILE A 121 -5.190 -3.043 -0.527 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.234 -0.443 0.481 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.615 -0.154 1.096 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.236 -0.244 -1.033 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -9.789 -0.347 0.152 1.00 0.00 C ATOM 0 H ILE A 121 -6.517 -1.261 2.830 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.487 -2.585 0.421 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.526 0.271 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -8.754 -0.802 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -8.626 0.873 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.561 0.770 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.230 -0.401 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -7.919 -0.958 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.718 -0.120 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.682 0.320 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -9.811 -1.380 -0.195 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.444 -1.250 0.611 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.093 -1.382 0.101 1.00 0.00 C ATOM 1833 C GLY A 122 -2.089 -0.529 0.852 1.00 0.00 C ATOM 1834 O GLY A 122 -2.309 -0.172 2.010 1.00 0.00 O ATOM 0 H GLY A 122 -4.587 -0.468 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.789 -2.427 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.080 -1.105 -0.953 1.00 0.00 H new ATOM 1838 N LEU A 123 -0.981 -0.205 0.191 1.00 0.00 N ATOM 1839 CA LEU A 123 0.068 0.608 0.798 1.00 0.00 C ATOM 1840 C LEU A 123 0.240 1.926 0.049 1.00 0.00 C ATOM 1841 O LEU A 123 -0.237 2.079 -1.074 1.00 0.00 O ATOM 1842 CB LEU A 123 1.392 -0.158 0.813 1.00 0.00 C ATOM 1843 CG LEU A 123 1.733 -0.887 -0.489 1.00 0.00 C ATOM 1844 CD1 LEU A 123 3.236 -1.088 -0.609 1.00 0.00 C ATOM 1845 CD2 LEU A 123 1.007 -2.223 -0.558 1.00 0.00 C ATOM 0 H LEU A 123 -0.786 -0.494 -0.768 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.229 0.830 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.196 0.541 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.364 -0.887 1.623 1.00 0.00 H new ATOM 0 HG LEU A 123 1.401 -0.272 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.460 -1.608 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.734 -0.119 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.592 -1.682 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.261 -2.727 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.308 -2.845 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.069 -2.055 -0.518 1.00 0.00 H new ATOM 1857 N VAL A 124 0.919 2.878 0.681 1.00 0.00 N ATOM 1858 CA VAL A 124 1.149 4.186 0.078 1.00 0.00 C ATOM 1859 C VAL A 124 2.059 4.090 -1.144 1.00 0.00 C ATOM 1860 O VAL A 124 3.138 3.499 -1.084 1.00 0.00 O ATOM 1861 CB VAL A 124 1.770 5.167 1.094 1.00 0.00 C ATOM 1862 CG1 VAL A 124 3.126 4.663 1.567 1.00 0.00 C ATOM 1863 CG2 VAL A 124 1.891 6.560 0.492 1.00 0.00 C ATOM 0 H VAL A 124 1.320 2.768 1.612 1.00 0.00 H new ATOM 0 HA VAL A 124 0.175 4.561 -0.236 1.00 0.00 H new ATOM 0 HB VAL A 124 1.109 5.227 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.547 5.369 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.006 3.690 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.797 4.568 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.331 7.236 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.527 6.520 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 124 0.902 6.923 0.212 1.00 0.00 H new ATOM 1873 N THR A 125 1.619 4.687 -2.249 1.00 0.00 N ATOM 1874 CA THR A 125 2.392 4.681 -3.486 1.00 0.00 C ATOM 1875 C THR A 125 2.928 6.084 -3.782 1.00 0.00 C ATOM 1876 O THR A 125 4.045 6.421 -3.390 1.00 0.00 O ATOM 1877 CB THR A 125 1.537 4.162 -4.651 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.366 2.761 -4.556 1.00 0.00 O ATOM 1879 CG2 THR A 125 2.120 4.452 -6.020 1.00 0.00 C ATOM 0 H THR A 125 0.729 5.182 -2.312 1.00 0.00 H new ATOM 0 HA THR A 125 3.242 4.009 -3.366 1.00 0.00 H new ATOM 0 HB THR A 125 0.590 4.694 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.207 2.348 -4.268 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.458 4.054 -6.789 1.00 0.00 H new ATOM 0 HG22 THR A 125 2.222 5.529 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.099 3.981 -6.105 1.00 0.00 H new ATOM 1887 N MET A 126 2.131 6.901 -4.469 1.00 0.00 N ATOM 1888 CA MET A 126 2.546 8.261 -4.800 1.00 0.00 C ATOM 1889 C MET A 126 1.837 9.283 -3.916 1.00 0.00 C ATOM 1890 O MET A 126 0.672 9.112 -3.565 1.00 0.00 O ATOM 1891 CB MET A 126 2.263 8.562 -6.272 1.00 0.00 C ATOM 1892 CG MET A 126 3.491 8.998 -7.050 1.00 0.00 C ATOM 1893 SD MET A 126 4.225 10.513 -6.408 1.00 0.00 S ATOM 1894 CE MET A 126 5.906 9.967 -6.130 1.00 0.00 C ATOM 0 H MET A 126 1.202 6.647 -4.804 1.00 0.00 H new ATOM 0 HA MET A 126 3.618 8.336 -4.620 1.00 0.00 H new ATOM 0 HB2 MET A 126 1.842 7.673 -6.742 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.506 9.344 -6.335 1.00 0.00 H new ATOM 0 HG2 MET A 126 4.234 8.201 -7.024 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.219 9.146 -8.095 1.00 0.00 H new ATOM 0 HE1 MET A 126 6.453 10.736 -5.585 1.00 0.00 H new ATOM 0 HE2 MET A 126 5.898 9.046 -5.547 1.00 0.00 H new ATOM 0 HE3 MET A 126 6.393 9.785 -7.088 1.00 0.00 H new ATOM 1904 N GLY A 127 2.550 10.349 -3.565 1.00 0.00 N ATOM 1905 CA GLY A 127 1.973 11.388 -2.733 1.00 0.00 C ATOM 1906 C GLY A 127 1.942 12.731 -3.435 1.00 0.00 C ATOM 1907 O GLY A 127 2.934 13.460 -3.438 1.00 0.00 O ATOM 0 H GLY A 127 3.518 10.511 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.959 11.104 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 127 2.548 11.475 -1.811 1.00 0.00 H new ATOM 1911 N GLY A 128 0.801 13.058 -4.036 1.00 0.00 N ATOM 1912 CA GLY A 128 0.672 14.321 -4.739 1.00 0.00 C ATOM 1913 C GLY A 128 0.473 15.492 -3.800 1.00 0.00 C ATOM 1914 O GLY A 128 0.331 15.309 -2.591 1.00 0.00 O ATOM 0 H GLY A 128 -0.034 12.472 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.565 14.490 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.171 14.265 -5.428 1.00 0.00 H new ATOM 1918 N GLU A 129 0.459 16.699 -4.355 1.00 0.00 N ATOM 1919 CA GLU A 129 0.272 17.904 -3.555 1.00 0.00 C ATOM 1920 C GLU A 129 -1.168 18.013 -3.062 1.00 0.00 C ATOM 1921 O GLU A 129 -1.452 18.733 -2.105 1.00 0.00 O ATOM 1922 CB GLU A 129 0.637 19.146 -4.371 1.00 0.00 C ATOM 1923 CG GLU A 129 1.970 19.032 -5.092 1.00 0.00 C ATOM 1924 CD GLU A 129 2.012 19.848 -6.369 1.00 0.00 C ATOM 1925 OE1 GLU A 129 1.072 19.726 -7.183 1.00 0.00 O ATOM 1926 OE2 GLU A 129 2.985 20.609 -6.556 1.00 0.00 O ATOM 0 H GLU A 129 0.575 16.869 -5.354 1.00 0.00 H new ATOM 0 HA GLU A 129 0.931 17.839 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -0.148 19.332 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.665 20.011 -3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 129 2.768 19.362 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.164 17.985 -5.327 1.00 0.00 H new ATOM 1933 N GLY A 130 -2.074 17.292 -3.719 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.471 17.326 -3.328 1.00 0.00 C ATOM 1935 C GLY A 130 -4.173 15.990 -3.510 1.00 0.00 C ATOM 1936 O GLY A 130 -5.381 15.891 -3.301 1.00 0.00 O ATOM 0 H GLY A 130 -1.865 16.687 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.543 17.628 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.988 18.085 -3.915 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.422 14.959 -3.898 1.00 0.00 N ATOM 1941 CA VAL A 131 -3.999 13.634 -4.102 1.00 0.00 C ATOM 1942 C VAL A 131 -3.210 12.570 -3.341 1.00 0.00 C ATOM 1943 O VAL A 131 -2.034 12.763 -3.026 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.053 13.248 -5.596 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.210 12.297 -5.859 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.167 14.483 -6.478 1.00 0.00 C ATOM 0 H VAL A 131 -2.419 15.017 -4.076 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.018 13.679 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.121 12.741 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.233 12.036 -6.917 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.080 11.393 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.148 12.780 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.203 14.181 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.077 15.027 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.303 15.127 -6.316 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.862 11.447 -3.051 1.00 0.00 N ATOM 1957 CA VAL A 132 -3.222 10.354 -2.327 1.00 0.00 C ATOM 1958 C VAL A 132 -3.102 9.114 -3.205 1.00 0.00 C ATOM 1959 O VAL A 132 -4.107 8.547 -3.620 1.00 0.00 O ATOM 1960 CB VAL A 132 -4.019 9.971 -1.061 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -3.160 9.149 -0.115 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -4.564 11.204 -0.355 1.00 0.00 C ATOM 0 H VAL A 132 -4.834 11.271 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.231 10.707 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.868 9.364 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.740 8.889 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.836 8.237 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.286 9.730 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.120 10.900 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.737 11.850 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -5.226 11.747 -1.030 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.873 8.686 -3.466 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.658 7.504 -4.285 1.00 0.00 C ATOM 1974 C GLY A 133 -1.460 6.261 -3.439 1.00 0.00 C ATOM 1975 O GLY A 133 -0.521 6.188 -2.647 1.00 0.00 O ATOM 0 H GLY A 133 -1.022 9.134 -3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.512 7.361 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.784 7.655 -4.919 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.351 5.286 -3.592 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.267 4.052 -2.816 1.00 0.00 C ATOM 1981 C PHE A 134 -2.242 2.819 -3.714 1.00 0.00 C ATOM 1982 O PHE A 134 -3.053 2.686 -4.624 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.453 3.955 -1.855 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.266 4.736 -0.586 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.205 4.460 0.259 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.148 5.746 -0.243 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -2.026 5.178 1.426 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -3.976 6.467 0.922 1.00 0.00 C ATOM 1989 CZ PHE A 134 -2.912 6.183 1.757 1.00 0.00 C ATOM 0 H PHE A 134 -3.136 5.325 -4.242 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.334 4.082 -2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.350 4.311 -2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -3.622 2.908 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.509 3.675 0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -4.980 5.973 -0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.195 4.953 2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -4.672 7.252 1.180 1.00 0.00 H new ATOM 0 HZ PHE A 134 -2.774 6.747 2.668 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.319 1.907 -3.434 1.00 0.00 N ATOM 2000 CA ALA A 135 -1.209 0.674 -4.199 1.00 0.00 C ATOM 2001 C ALA A 135 -2.008 -0.432 -3.516 1.00 0.00 C ATOM 2002 O ALA A 135 -1.621 -0.923 -2.457 1.00 0.00 O ATOM 2003 CB ALA A 135 0.249 0.273 -4.349 1.00 0.00 C ATOM 0 H ALA A 135 -0.636 1.999 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.620 0.835 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.315 -0.651 -4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.792 1.063 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.687 0.119 -3.363 1.00 0.00 H new ATOM 2009 N ASP A 136 -3.135 -0.799 -4.116 1.00 0.00 N ATOM 2010 CA ASP A 136 -4.011 -1.822 -3.549 1.00 0.00 C ATOM 2011 C ASP A 136 -3.375 -3.208 -3.568 1.00 0.00 C ATOM 2012 O ASP A 136 -2.553 -3.522 -4.429 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.338 -1.860 -4.309 1.00 0.00 C ATOM 2014 CG ASP A 136 -5.146 -2.093 -5.795 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -4.863 -3.245 -6.184 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -5.282 -1.123 -6.571 1.00 0.00 O ATOM 0 H ASP A 136 -3.465 -0.404 -4.996 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.184 -1.551 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -5.966 -2.650 -3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.868 -0.920 -4.157 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.786 -4.037 -2.610 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.293 -5.405 -2.496 1.00 0.00 C ATOM 2023 C VAL A 137 -4.222 -6.376 -3.228 1.00 0.00 C ATOM 2024 O VAL A 137 -4.137 -7.590 -3.049 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.178 -5.828 -1.015 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.549 -7.208 -0.882 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.383 -4.800 -0.225 1.00 0.00 C ATOM 0 H VAL A 137 -4.467 -3.779 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.304 -5.439 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.186 -5.879 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.482 -7.477 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.164 -7.940 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.550 -7.196 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.313 -5.116 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.381 -4.713 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.884 -3.833 -0.278 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.113 -5.828 -4.053 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.063 -6.636 -4.810 1.00 0.00 C ATOM 2039 C ARG A 138 -5.374 -7.430 -5.920 1.00 0.00 C ATOM 2040 O ARG A 138 -6.003 -8.260 -6.575 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.152 -5.742 -5.408 1.00 0.00 C ATOM 2042 CG ARG A 138 -7.764 -4.775 -4.407 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.284 -4.802 -4.454 1.00 0.00 C ATOM 2044 NE ARG A 138 -9.795 -4.634 -5.814 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.211 -5.638 -6.587 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -10.170 -6.891 -6.151 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -10.669 -5.384 -7.805 1.00 0.00 N ATOM 0 H ARG A 138 -5.195 -4.824 -4.213 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.513 -7.350 -4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -6.730 -5.174 -6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -7.940 -6.371 -5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.427 -5.030 -3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -7.412 -3.765 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.642 -5.747 -4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -9.680 -4.010 -3.818 1.00 0.00 H new ATOM 0 HE ARG A 138 -9.836 -3.689 -6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -9.818 -7.094 -5.216 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -10.491 -7.651 -6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -10.702 -4.424 -8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -10.988 -6.149 -8.400 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.084 -7.175 -6.133 1.00 0.00 N ATOM 2062 CA ASP A 139 -3.334 -7.877 -7.168 1.00 0.00 C ATOM 2063 C ASP A 139 -2.560 -9.060 -6.587 1.00 0.00 C ATOM 2064 O ASP A 139 -1.713 -9.645 -7.261 1.00 0.00 O ATOM 2065 CB ASP A 139 -2.370 -6.917 -7.866 1.00 0.00 C ATOM 2066 CG ASP A 139 -1.533 -6.121 -6.884 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -2.121 -5.481 -5.986 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -0.291 -6.137 -7.011 1.00 0.00 O ATOM 0 H ASP A 139 -3.541 -6.492 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 139 -4.049 -8.262 -7.895 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -1.711 -7.483 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -2.937 -6.231 -8.495 1.00 0.00 H new ATOM 2073 N LEU A 140 -2.853 -9.407 -5.336 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.182 -10.516 -4.670 1.00 0.00 C ATOM 2075 C LEU A 140 -2.710 -10.684 -3.249 1.00 0.00 C ATOM 2076 O LEU A 140 -1.958 -10.607 -2.281 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.656 -10.305 -4.658 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.132 -9.043 -3.942 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.175 -7.938 -3.888 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.344 -9.383 -2.539 1.00 0.00 C ATOM 0 H LEU A 140 -3.552 -8.934 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.395 -11.428 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.197 -11.176 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.309 -10.278 -5.691 1.00 0.00 H new ATOM 0 HG LEU A 140 0.710 -8.671 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -0.760 -7.071 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -1.461 -7.658 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.053 -8.293 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.710 -8.480 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.484 -9.797 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 140 1.148 -10.116 -2.595 1.00 0.00 H new ATOM 2092 N LEU A 141 -4.013 -10.907 -3.135 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.646 -11.075 -1.834 1.00 0.00 C ATOM 2094 C LEU A 141 -4.338 -12.437 -1.218 1.00 0.00 C ATOM 2095 O LEU A 141 -4.565 -12.648 -0.029 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.157 -10.882 -1.943 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.726 -9.784 -1.042 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.121 -9.857 0.352 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.490 -8.413 -1.663 1.00 0.00 C ATOM 0 H LEU A 141 -4.652 -10.976 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.232 -10.311 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.407 -10.650 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.649 -11.824 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.801 -9.940 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.542 -9.066 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.347 -10.826 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.040 -9.731 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -6.900 -7.642 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.420 -8.250 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -6.981 -8.364 -2.635 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.830 -13.361 -2.029 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.504 -14.702 -1.550 1.00 0.00 C ATOM 2113 C TRP A 142 -2.547 -14.648 -0.359 1.00 0.00 C ATOM 2114 O TRP A 142 -1.337 -14.822 -0.509 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.898 -15.548 -2.675 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.728 -14.905 -3.358 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.759 -13.856 -4.233 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.353 -15.280 -3.229 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.486 -13.550 -4.646 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.394 -14.410 -4.044 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.320 -16.262 -2.499 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.777 -14.495 -4.148 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.695 -16.346 -2.604 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.412 -15.466 -3.423 1.00 0.00 C ATOM 0 H TRP A 142 -3.635 -13.207 -3.018 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.432 -15.169 -1.221 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.584 -16.508 -2.265 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.670 -15.755 -3.416 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.654 -13.343 -4.553 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.236 -12.804 -5.295 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.225 -16.944 -1.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.332 -13.817 -4.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.225 -17.103 -2.045 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.487 -15.555 -3.484 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.106 -14.414 0.827 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.322 -14.344 2.057 1.00 0.00 C ATOM 2137 C LEU A 143 -3.138 -14.869 3.236 1.00 0.00 C ATOM 2138 O LEU A 143 -2.644 -15.655 4.044 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.872 -12.904 2.341 1.00 0.00 C ATOM 2140 CG LEU A 143 -0.998 -12.251 1.262 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.864 -11.522 0.250 1.00 0.00 C ATOM 2142 CD2 LEU A 143 0.001 -11.293 1.895 1.00 0.00 C ATOM 0 H LEU A 143 -4.107 -14.269 0.961 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.436 -14.966 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.760 -12.288 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.322 -12.894 3.282 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.444 -13.034 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.230 -11.064 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.544 -12.230 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.441 -10.748 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.613 -10.838 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.535 -10.514 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.642 -11.840 2.587 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.391 -14.429 3.324 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.279 -14.854 4.399 1.00 0.00 C ATOM 2156 C GLU A 144 -6.738 -14.789 3.955 1.00 0.00 C ATOM 2157 O GLU A 144 -7.030 -14.533 2.786 1.00 0.00 O ATOM 2158 CB GLU A 144 -5.070 -13.979 5.637 1.00 0.00 C ATOM 2159 CG GLU A 144 -4.064 -14.552 6.623 1.00 0.00 C ATOM 2160 CD GLU A 144 -4.240 -13.997 8.024 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -5.291 -14.268 8.641 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -3.326 -13.293 8.503 1.00 0.00 O ATOM 0 H GLU A 144 -4.813 -13.778 2.662 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.039 -15.887 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -4.735 -12.991 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -6.026 -13.845 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -4.165 -15.637 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -3.054 -14.335 6.274 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.652 -15.023 4.892 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.079 -14.992 4.595 1.00 0.00 C ATOM 2171 C ASP A 145 -9.496 -13.630 4.048 1.00 0.00 C ATOM 2172 O ASP A 145 -9.171 -12.591 4.626 1.00 0.00 O ATOM 2173 CB ASP A 145 -9.890 -15.321 5.849 1.00 0.00 C ATOM 2174 CG ASP A 145 -10.088 -16.812 6.037 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -9.205 -17.458 6.640 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -11.126 -17.335 5.579 1.00 0.00 O ATOM 0 H ASP A 145 -7.429 -15.236 5.864 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.280 -15.744 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -9.384 -14.912 6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -10.863 -14.833 5.787 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.217 -13.642 2.932 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.680 -12.409 2.304 1.00 0.00 C ATOM 2183 C ASP A 146 -11.973 -11.922 2.951 1.00 0.00 C ATOM 2184 O ASP A 146 -12.735 -12.711 3.509 1.00 0.00 O ATOM 2185 CB ASP A 146 -10.899 -12.630 0.805 1.00 0.00 C ATOM 2186 CG ASP A 146 -9.619 -12.474 0.006 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -8.847 -11.536 0.298 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -9.389 -13.291 -0.911 1.00 0.00 O ATOM 0 H ASP A 146 -10.494 -14.493 2.443 1.00 0.00 H new ATOM 0 HA ASP A 146 -9.914 -11.647 2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.306 -13.628 0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.641 -11.920 0.440 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.215 -10.615 2.874 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.417 -10.029 3.455 1.00 0.00 C ATOM 2195 C ALA A 147 -14.634 -10.287 2.573 1.00 0.00 C ATOM 2196 O ALA A 147 -14.598 -10.055 1.366 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.225 -8.535 3.670 1.00 0.00 C ATOM 0 H ALA A 147 -11.596 -9.945 2.417 1.00 0.00 H new ATOM 0 HA ALA A 147 -13.593 -10.504 4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -14.130 -8.111 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.386 -8.370 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -13.021 -8.053 2.714 1.00 0.00 H new ATOM 2203 N MET A 148 -15.710 -10.767 3.187 1.00 0.00 N ATOM 2204 CA MET A 148 -16.940 -11.057 2.460 1.00 0.00 C ATOM 2205 C MET A 148 -17.984 -9.971 2.702 1.00 0.00 C ATOM 2206 O MET A 148 -17.868 -9.184 3.641 1.00 0.00 O ATOM 2207 CB MET A 148 -17.498 -12.418 2.879 1.00 0.00 C ATOM 2208 CG MET A 148 -16.443 -13.511 2.953 1.00 0.00 C ATOM 2209 SD MET A 148 -16.979 -14.928 3.931 1.00 0.00 S ATOM 2210 CE MET A 148 -16.406 -16.282 2.909 1.00 0.00 C ATOM 0 H MET A 148 -15.755 -10.963 4.187 1.00 0.00 H new ATOM 0 HA MET A 148 -16.705 -11.081 1.396 1.00 0.00 H new ATOM 0 HB2 MET A 148 -17.977 -12.321 3.853 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.271 -12.718 2.172 1.00 0.00 H new ATOM 0 HG2 MET A 148 -16.198 -13.843 1.944 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.530 -13.101 3.385 1.00 0.00 H new ATOM 0 HE1 MET A 148 -16.664 -17.229 3.382 1.00 0.00 H new ATOM 0 HE2 MET A 148 -16.880 -16.224 1.929 1.00 0.00 H new ATOM 0 HE3 MET A 148 -15.324 -16.217 2.793 1.00 0.00 H new ATOM 2220 N GLU A 149 -19.003 -9.936 1.850 1.00 0.00 N ATOM 2221 CA GLU A 149 -20.068 -8.948 1.972 1.00 0.00 C ATOM 2222 C GLU A 149 -21.196 -9.241 0.988 1.00 0.00 C ATOM 2223 O GLU A 149 -22.331 -9.499 1.389 1.00 0.00 O ATOM 2224 CB GLU A 149 -19.515 -7.540 1.735 1.00 0.00 C ATOM 2225 CG GLU A 149 -19.855 -6.559 2.844 1.00 0.00 C ATOM 2226 CD GLU A 149 -21.348 -6.338 2.990 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -22.116 -7.295 2.756 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -21.750 -5.208 3.339 1.00 0.00 O ATOM 0 H GLU A 149 -19.114 -10.581 1.067 1.00 0.00 H new ATOM 0 HA GLU A 149 -20.471 -9.005 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -18.431 -7.597 1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -19.906 -7.159 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -19.452 -6.929 3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -19.368 -5.605 2.642 1.00 0.00 H new ATOM 2235 N GLN A 150 -20.877 -9.201 -0.302 1.00 0.00 N ATOM 2236 CA GLN A 150 -21.863 -9.462 -1.343 1.00 0.00 C ATOM 2237 C GLN A 150 -23.022 -8.473 -1.256 1.00 0.00 C ATOM 2238 O GLN A 150 -22.905 -7.494 -0.491 1.00 0.00 O ATOM 2239 CB GLN A 150 -22.390 -10.894 -1.227 1.00 0.00 C ATOM 2240 CG GLN A 150 -21.316 -11.954 -1.403 1.00 0.00 C ATOM 2241 CD GLN A 150 -21.855 -13.362 -1.241 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -21.911 -13.895 -0.133 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -22.253 -13.975 -2.350 1.00 0.00 N ATOM 2244 OXT GLN A 150 -24.034 -8.687 -1.956 1.00 0.00 O ATOM 0 H GLN A 150 -19.942 -8.990 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 150 -21.375 -9.338 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -22.858 -11.022 -0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -23.167 -11.048 -1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -20.868 -11.852 -2.391 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -20.522 -11.787 -0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -22.189 -13.496 -3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -22.623 -14.925 -2.303 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -14.817 -1.525 1.752 1.00 0.00 ZN