USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 819 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 44 THR OG1 : rot 80:sc= 1.31 USER MOD Set 1.2: B 101 HIS : no HE2:sc= 0.861 K(o=2.2,f=-5.9!) USER MOD Set 2.1: A 10 SER OG : rot -60:sc= 1.12 USER MOD Set 2.2: A 53 TYR OH : rot -114:sc= 2.01 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 1.14 K(o=1.1,f=-4.8!) USER MOD Single : A 3 MET CE :methyl -166:sc= -0.0795 (180deg=-0.43) USER MOD Single : A 4 SER OG : rot -23:sc= 0.576 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc=-0.00242 (180deg=-0.0982) USER MOD Single : A 8 HIS : no HE2:sc= -0.111 K(o=-0.11,f=-3.7!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0954 X(o=-0.095,f=-0.0087) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 18 ASN : amide:sc= -0.0163 K(o=-0.016,f=-1.2) USER MOD Single : A 23 ASN : amide:sc=-0.00451 X(o=-0.0045,f=0) USER MOD Single : A 24 ASN : amide:sc= -1.28! K(o=-1.3!,f=-0.046) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00427 USER MOD Single : A 42 GLN : amide:sc= -1.67 K(o=-1.7,f=-6.2!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -2.25! USER MOD Single : A 49 SER OG : rot -89:sc= -0.505! USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.101) USER MOD Single : A 59 GLN : amide:sc= -3.31! K(o=-3.3!,f=-0.5) USER MOD Single : A 67 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.51) USER MOD Single : A 69 MET CE :methyl -116:sc= -1.31 (180deg=-2.69) USER MOD Single : A 72 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.38) USER MOD Single : B 74 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-0.19) USER MOD Single : B 75 MET CE :methyl -144:sc= -0.22 (180deg=-0.837) USER MOD Single : B 81 GLN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : B 84 MET CE :methyl 161:sc= -0.434 (180deg=-1.7) USER MOD Single : B 85 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.15) USER MOD Single : B 86 HIS : no HD1:sc= -0.892 K(o=0.89,f=-8.6!) USER MOD Single : B 90 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.32) USER MOD Single : B 93 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.36) USER MOD Single : B 97 ASN : amide:sc= -2.86! C(o=-2.9!,f=-6.7!) USER MOD Single : B 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 107 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.724 4.950 -15.029 1.00 0.00 N ATOM 2 CA GLY A 1 -10.218 6.277 -15.467 1.00 0.00 C ATOM 3 C GLY A 1 -9.501 7.421 -14.781 1.00 0.00 C ATOM 4 O GLY A 1 -9.274 7.388 -13.572 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.247 4.203 -15.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.710 4.868 -15.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.867 4.847 -14.004 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.093 6.369 -16.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.286 6.348 -15.263 1.00 0.00 H new ATOM 10 N HIS A 2 -9.137 8.431 -15.562 1.00 0.00 N ATOM 11 CA HIS A 2 -8.504 9.641 -15.043 1.00 0.00 C ATOM 12 C HIS A 2 -8.925 10.828 -15.899 1.00 0.00 C ATOM 13 O HIS A 2 -8.114 11.700 -16.206 1.00 0.00 O ATOM 14 CB HIS A 2 -6.971 9.537 -15.052 1.00 0.00 C ATOM 15 CG HIS A 2 -6.402 8.523 -14.107 1.00 0.00 C ATOM 16 ND1 HIS A 2 -5.722 7.406 -14.532 1.00 0.00 N ATOM 17 CD2 HIS A 2 -6.399 8.468 -12.751 1.00 0.00 C ATOM 18 CE1 HIS A 2 -5.323 6.709 -13.487 1.00 0.00 C ATOM 19 NE2 HIS A 2 -5.720 7.330 -12.394 1.00 0.00 N ATOM 0 H HIS A 2 -9.272 8.436 -16.573 1.00 0.00 H new ATOM 0 HA HIS A 2 -8.826 9.771 -14.010 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -6.644 9.294 -16.063 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -6.554 10.514 -14.808 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -6.847 9.185 -12.079 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -4.765 5.785 -13.520 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -5.550 7.016 -11.439 1.00 0.00 H new ATOM 28 N MET A 3 -10.196 10.842 -16.292 1.00 0.00 N ATOM 29 CA MET A 3 -10.709 11.855 -17.213 1.00 0.00 C ATOM 30 C MET A 3 -10.583 13.267 -16.637 1.00 0.00 C ATOM 31 O MET A 3 -9.878 14.106 -17.199 1.00 0.00 O ATOM 32 CB MET A 3 -12.164 11.543 -17.622 1.00 0.00 C ATOM 33 CG MET A 3 -13.128 11.338 -16.461 1.00 0.00 C ATOM 34 SD MET A 3 -14.761 10.782 -16.995 1.00 0.00 S ATOM 35 CE MET A 3 -15.275 12.154 -18.024 1.00 0.00 C ATOM 0 H MET A 3 -10.892 10.162 -15.987 1.00 0.00 H new ATOM 0 HA MET A 3 -10.092 11.821 -18.111 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.534 12.359 -18.242 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.167 10.645 -18.240 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.708 10.606 -15.771 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.230 12.273 -15.910 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.344 12.079 -18.222 1.00 0.00 H new ATOM 0 HE2 MET A 3 -15.066 13.092 -17.510 1.00 0.00 H new ATOM 0 HE3 MET A 3 -14.728 12.127 -18.967 1.00 0.00 H new ATOM 45 N SER A 4 -11.245 13.528 -15.518 1.00 0.00 N ATOM 46 CA SER A 4 -11.199 14.840 -14.887 1.00 0.00 C ATOM 47 C SER A 4 -11.569 14.732 -13.414 1.00 0.00 C ATOM 48 O SER A 4 -12.622 14.191 -13.075 1.00 0.00 O ATOM 49 CB SER A 4 -12.160 15.809 -15.588 1.00 0.00 C ATOM 50 OG SER A 4 -11.905 15.874 -16.984 1.00 0.00 O ATOM 0 H SER A 4 -11.822 12.846 -15.027 1.00 0.00 H new ATOM 0 HA SER A 4 -10.183 15.224 -14.974 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.188 15.489 -15.419 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.059 16.803 -15.152 1.00 0.00 H new ATOM 0 HG SER A 4 -10.982 15.597 -17.161 1.00 0.00 H new ATOM 56 N GLY A 5 -10.695 15.226 -12.545 1.00 0.00 N ATOM 57 CA GLY A 5 -10.990 15.245 -11.125 1.00 0.00 C ATOM 58 C GLY A 5 -10.910 13.871 -10.495 1.00 0.00 C ATOM 59 O GLY A 5 -11.932 13.272 -10.163 1.00 0.00 O ATOM 0 H GLY A 5 -9.787 15.614 -12.799 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.291 15.913 -10.621 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.989 15.654 -10.971 1.00 0.00 H new ATOM 63 N PHE A 6 -9.697 13.367 -10.332 1.00 0.00 N ATOM 64 CA PHE A 6 -9.495 12.074 -9.700 1.00 0.00 C ATOM 65 C PHE A 6 -9.397 12.229 -8.182 1.00 0.00 C ATOM 66 O PHE A 6 -8.505 12.904 -7.667 1.00 0.00 O ATOM 67 CB PHE A 6 -8.251 11.369 -10.272 1.00 0.00 C ATOM 68 CG PHE A 6 -6.998 12.210 -10.296 1.00 0.00 C ATOM 69 CD1 PHE A 6 -6.760 13.095 -11.337 1.00 0.00 C ATOM 70 CD2 PHE A 6 -6.058 12.109 -9.284 1.00 0.00 C ATOM 71 CE1 PHE A 6 -5.610 13.860 -11.368 1.00 0.00 C ATOM 72 CE2 PHE A 6 -4.906 12.873 -9.309 1.00 0.00 C ATOM 73 CZ PHE A 6 -4.683 13.749 -10.351 1.00 0.00 C ATOM 0 H PHE A 6 -8.839 13.833 -10.628 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.358 11.446 -9.920 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.058 10.472 -9.684 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.472 11.043 -11.288 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -7.483 13.187 -12.134 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.227 11.425 -8.465 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.437 14.543 -12.186 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.181 12.784 -8.513 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.784 14.347 -10.371 1.00 0.00 H new ATOM 83 N LYS A 7 -10.331 11.605 -7.474 1.00 0.00 N ATOM 84 CA LYS A 7 -10.394 11.699 -6.019 1.00 0.00 C ATOM 85 C LYS A 7 -9.440 10.698 -5.375 1.00 0.00 C ATOM 86 O LYS A 7 -9.842 9.842 -4.585 1.00 0.00 O ATOM 87 CB LYS A 7 -11.828 11.467 -5.536 1.00 0.00 C ATOM 88 CG LYS A 7 -12.815 12.502 -6.053 1.00 0.00 C ATOM 89 CD LYS A 7 -14.223 12.244 -5.542 1.00 0.00 C ATOM 90 CE LYS A 7 -14.297 12.324 -4.025 1.00 0.00 C ATOM 91 NZ LYS A 7 -13.980 13.686 -3.520 1.00 0.00 N ATOM 0 H LYS A 7 -11.061 11.024 -7.887 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.086 12.701 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.154 10.476 -5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.842 11.475 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.493 13.497 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.816 12.491 -7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.907 12.972 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.554 11.259 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.296 12.039 -3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.602 11.606 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.205 13.741 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.968 13.882 -3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.545 14.389 -4.039 1.00 0.00 H new ATOM 105 N HIS A 8 -8.175 10.822 -5.745 1.00 0.00 N ATOM 106 CA HIS A 8 -7.101 9.963 -5.266 1.00 0.00 C ATOM 107 C HIS A 8 -5.792 10.435 -5.886 1.00 0.00 C ATOM 108 O HIS A 8 -5.481 10.100 -7.024 1.00 0.00 O ATOM 109 CB HIS A 8 -7.366 8.476 -5.598 1.00 0.00 C ATOM 110 CG HIS A 8 -7.862 8.201 -6.995 1.00 0.00 C ATOM 111 ND1 HIS A 8 -9.189 7.963 -7.287 1.00 0.00 N ATOM 112 CD2 HIS A 8 -7.204 8.104 -8.172 1.00 0.00 C ATOM 113 CE1 HIS A 8 -9.321 7.729 -8.576 1.00 0.00 C ATOM 114 NE2 HIS A 8 -8.131 7.809 -9.141 1.00 0.00 N ATOM 0 H HIS A 8 -7.859 11.537 -6.400 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.044 10.034 -4.180 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.443 7.917 -5.442 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -8.097 8.088 -4.889 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -9.951 7.968 -6.609 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.143 8.235 -8.323 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.247 7.509 -9.085 1.00 0.00 H new ATOM 123 N VAL A 9 -5.039 11.240 -5.149 1.00 0.00 N ATOM 124 CA VAL A 9 -3.836 11.837 -5.692 1.00 0.00 C ATOM 125 C VAL A 9 -2.759 10.781 -5.825 1.00 0.00 C ATOM 126 O VAL A 9 -2.379 10.148 -4.841 1.00 0.00 O ATOM 127 CB VAL A 9 -3.327 12.995 -4.808 1.00 0.00 C ATOM 128 CG1 VAL A 9 -2.155 13.702 -5.471 1.00 0.00 C ATOM 129 CG2 VAL A 9 -4.454 13.979 -4.511 1.00 0.00 C ATOM 0 H VAL A 9 -5.241 11.491 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.076 12.247 -6.673 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.981 12.577 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.811 14.515 -4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.342 12.993 -5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.471 14.106 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.075 14.788 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.834 14.390 -5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.259 13.463 -3.988 1.00 0.00 H new ATOM 139 N SER A 10 -2.281 10.587 -7.046 1.00 0.00 N ATOM 140 CA SER A 10 -1.299 9.551 -7.332 1.00 0.00 C ATOM 141 C SER A 10 0.008 9.812 -6.598 1.00 0.00 C ATOM 142 O SER A 10 0.859 8.930 -6.513 1.00 0.00 O ATOM 143 CB SER A 10 -1.041 9.472 -8.828 1.00 0.00 C ATOM 144 OG SER A 10 -2.260 9.483 -9.550 1.00 0.00 O ATOM 0 H SER A 10 -2.559 11.137 -7.859 1.00 0.00 H new ATOM 0 HA SER A 10 -1.704 8.601 -6.983 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.421 10.313 -9.140 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.485 8.563 -9.058 1.00 0.00 H new ATOM 0 HG SER A 10 -2.807 8.716 -9.280 1.00 0.00 H new ATOM 150 N HIS A 11 0.178 11.037 -6.102 1.00 0.00 N ATOM 151 CA HIS A 11 1.294 11.343 -5.219 1.00 0.00 C ATOM 152 C HIS A 11 1.239 10.435 -4.007 1.00 0.00 C ATOM 153 O HIS A 11 2.162 9.664 -3.794 1.00 0.00 O ATOM 154 CB HIS A 11 1.279 12.807 -4.774 1.00 0.00 C ATOM 155 CG HIS A 11 1.837 13.753 -5.791 1.00 0.00 C ATOM 156 ND1 HIS A 11 1.375 15.039 -5.961 1.00 0.00 N ATOM 157 CD2 HIS A 11 2.849 13.601 -6.674 1.00 0.00 C ATOM 158 CE1 HIS A 11 2.080 15.633 -6.904 1.00 0.00 C ATOM 159 NE2 HIS A 11 2.986 14.785 -7.353 1.00 0.00 N ATOM 0 H HIS A 11 -0.439 11.825 -6.297 1.00 0.00 H new ATOM 0 HA HIS A 11 2.219 11.175 -5.770 1.00 0.00 H new ATOM 0 HB2 HIS A 11 0.253 13.097 -4.546 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.850 12.902 -3.851 1.00 0.00 H new ATOM 0 HD2 HIS A 11 3.442 12.710 -6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.939 16.646 -7.251 1.00 0.00 H new ATOM 0 HE2 HIS A 11 3.673 14.978 -8.082 1.00 0.00 H new ATOM 168 N VAL A 12 0.135 10.521 -3.247 1.00 0.00 N ATOM 169 CA VAL A 12 -0.151 9.632 -2.099 1.00 0.00 C ATOM 170 C VAL A 12 1.109 9.223 -1.283 1.00 0.00 C ATOM 171 O VAL A 12 1.208 8.111 -0.764 1.00 0.00 O ATOM 172 CB VAL A 12 -0.959 8.385 -2.580 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.171 7.528 -3.566 1.00 0.00 C ATOM 174 CG2 VAL A 12 -1.455 7.546 -1.411 1.00 0.00 C ATOM 0 H VAL A 12 -0.594 11.215 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.758 10.208 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.830 8.772 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.776 6.674 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.083 8.123 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.743 7.174 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.012 6.689 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.604 7.197 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.105 8.151 -0.779 1.00 0.00 H new ATOM 184 N GLY A 13 2.054 10.152 -1.136 1.00 0.00 N ATOM 185 CA GLY A 13 3.299 9.860 -0.434 1.00 0.00 C ATOM 186 C GLY A 13 4.011 8.632 -0.982 1.00 0.00 C ATOM 187 O GLY A 13 4.726 7.944 -0.263 1.00 0.00 O ATOM 0 H GLY A 13 1.980 11.105 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.963 10.722 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.087 9.709 0.625 1.00 0.00 H new ATOM 191 N TRP A 14 3.812 8.373 -2.262 1.00 0.00 N ATOM 192 CA TRP A 14 4.338 7.192 -2.917 1.00 0.00 C ATOM 193 C TRP A 14 5.248 7.591 -4.064 1.00 0.00 C ATOM 194 O TRP A 14 5.009 8.598 -4.735 1.00 0.00 O ATOM 195 CB TRP A 14 3.164 6.350 -3.429 1.00 0.00 C ATOM 196 CG TRP A 14 3.540 5.206 -4.328 1.00 0.00 C ATOM 197 CD1 TRP A 14 4.099 4.018 -3.960 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.353 5.138 -5.747 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.282 3.220 -5.063 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.827 3.883 -6.171 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.835 6.020 -6.699 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.790 3.486 -7.506 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.798 5.625 -8.025 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.274 4.366 -8.416 1.00 0.00 C ATOM 0 H TRP A 14 3.276 8.982 -2.880 1.00 0.00 H new ATOM 0 HA TRP A 14 4.925 6.606 -2.210 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.621 5.953 -2.571 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.477 7.003 -3.967 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.360 3.744 -2.948 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.690 2.285 -5.057 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.470 6.993 -6.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.156 2.517 -7.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.396 6.297 -8.769 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.232 4.085 -9.458 1.00 0.00 H new ATOM 215 N ASP A 15 6.306 6.831 -4.264 1.00 0.00 N ATOM 216 CA ASP A 15 7.185 7.040 -5.391 1.00 0.00 C ATOM 217 C ASP A 15 7.047 5.882 -6.362 1.00 0.00 C ATOM 218 O ASP A 15 7.125 4.718 -5.972 1.00 0.00 O ATOM 219 CB ASP A 15 8.637 7.167 -4.933 1.00 0.00 C ATOM 220 CG ASP A 15 9.586 7.330 -6.099 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.760 8.479 -6.565 1.00 0.00 O ATOM 222 OD2 ASP A 15 10.154 6.314 -6.562 1.00 0.00 O ATOM 0 H ASP A 15 6.577 6.059 -3.655 1.00 0.00 H new ATOM 0 HA ASP A 15 6.902 7.969 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.733 8.023 -4.265 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.915 6.283 -4.360 1.00 0.00 H new ATOM 227 N PRO A 16 6.824 6.212 -7.646 1.00 0.00 N ATOM 228 CA PRO A 16 6.553 5.243 -8.713 1.00 0.00 C ATOM 229 C PRO A 16 7.501 4.050 -8.730 1.00 0.00 C ATOM 230 O PRO A 16 7.100 2.955 -9.121 1.00 0.00 O ATOM 231 CB PRO A 16 6.708 6.060 -10.007 1.00 0.00 C ATOM 232 CG PRO A 16 7.226 7.398 -9.589 1.00 0.00 C ATOM 233 CD PRO A 16 6.805 7.583 -8.165 1.00 0.00 C ATOM 0 HA PRO A 16 5.567 4.799 -8.577 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.398 5.572 -10.696 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.754 6.155 -10.525 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.311 7.442 -9.683 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.819 8.188 -10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.491 8.232 -7.621 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.814 8.031 -8.090 1.00 0.00 H new ATOM 241 N GLN A 17 8.750 4.257 -8.334 1.00 0.00 N ATOM 242 CA GLN A 17 9.728 3.178 -8.340 1.00 0.00 C ATOM 243 C GLN A 17 10.030 2.662 -6.933 1.00 0.00 C ATOM 244 O GLN A 17 9.927 1.464 -6.674 1.00 0.00 O ATOM 245 CB GLN A 17 11.021 3.619 -9.014 1.00 0.00 C ATOM 246 CG GLN A 17 12.084 2.531 -9.035 1.00 0.00 C ATOM 247 CD GLN A 17 13.374 2.977 -9.682 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.380 3.818 -10.579 1.00 0.00 O ATOM 249 NE2 GLN A 17 14.477 2.411 -9.233 1.00 0.00 N ATOM 0 H GLN A 17 9.108 5.155 -8.007 1.00 0.00 H new ATOM 0 HA GLN A 17 9.286 2.360 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.804 3.926 -10.037 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.414 4.493 -8.495 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.288 2.211 -8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.697 1.663 -9.569 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.427 1.717 -8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.380 2.667 -9.632 1.00 0.00 H new ATOM 258 N ASN A 18 10.399 3.562 -6.022 1.00 0.00 N ATOM 259 CA ASN A 18 10.923 3.147 -4.719 1.00 0.00 C ATOM 260 C ASN A 18 9.838 3.044 -3.656 1.00 0.00 C ATOM 261 O ASN A 18 10.136 2.977 -2.462 1.00 0.00 O ATOM 262 CB ASN A 18 12.033 4.087 -4.256 1.00 0.00 C ATOM 263 CG ASN A 18 13.290 3.944 -5.093 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.570 2.877 -5.638 1.00 0.00 O ATOM 265 ND2 ASN A 18 14.066 5.011 -5.187 1.00 0.00 N ATOM 0 H ASN A 18 10.346 4.571 -6.158 1.00 0.00 H new ATOM 0 HA ASN A 18 11.336 2.147 -4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.680 5.117 -4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.268 3.882 -3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.931 4.967 -5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.800 5.878 -4.721 1.00 0.00 H new ATOM 272 N GLY A 19 8.587 3.045 -4.085 1.00 0.00 N ATOM 273 CA GLY A 19 7.501 2.729 -3.186 1.00 0.00 C ATOM 274 C GLY A 19 7.051 3.895 -2.335 1.00 0.00 C ATOM 275 O GLY A 19 7.399 5.045 -2.590 1.00 0.00 O ATOM 0 H GLY A 19 8.305 3.259 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.653 2.369 -3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.809 1.913 -2.533 1.00 0.00 H new ATOM 279 N PHE A 20 6.264 3.580 -1.323 1.00 0.00 N ATOM 280 CA PHE A 20 5.715 4.581 -0.427 1.00 0.00 C ATOM 281 C PHE A 20 6.803 5.167 0.454 1.00 0.00 C ATOM 282 O PHE A 20 7.574 4.433 1.075 1.00 0.00 O ATOM 283 CB PHE A 20 4.615 3.977 0.457 1.00 0.00 C ATOM 284 CG PHE A 20 3.351 3.624 -0.280 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.350 4.567 -0.453 1.00 0.00 C ATOM 286 CD2 PHE A 20 3.162 2.352 -0.796 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.186 4.248 -1.126 1.00 0.00 C ATOM 288 CE2 PHE A 20 2.001 2.028 -1.470 1.00 0.00 C ATOM 289 CZ PHE A 20 1.011 2.977 -1.636 1.00 0.00 C ATOM 0 H PHE A 20 5.988 2.624 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 20 5.285 5.373 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.004 3.079 0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.373 4.684 1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.481 5.563 -0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.932 1.605 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.414 4.992 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.867 1.033 -1.867 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.103 2.725 -2.163 1.00 0.00 H new ATOM 299 N ASP A 21 6.861 6.486 0.508 1.00 0.00 N ATOM 300 CA ASP A 21 7.788 7.165 1.388 1.00 0.00 C ATOM 301 C ASP A 21 7.260 7.050 2.807 1.00 0.00 C ATOM 302 O ASP A 21 6.465 7.875 3.240 1.00 0.00 O ATOM 303 CB ASP A 21 7.931 8.640 0.995 1.00 0.00 C ATOM 304 CG ASP A 21 9.051 9.343 1.739 1.00 0.00 C ATOM 305 OD1 ASP A 21 9.021 9.354 2.987 1.00 0.00 O ATOM 306 OD2 ASP A 21 9.978 9.872 1.089 1.00 0.00 O ATOM 0 H ASP A 21 6.275 7.107 -0.050 1.00 0.00 H new ATOM 0 HA ASP A 21 8.773 6.706 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.114 8.709 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.991 9.156 1.191 1.00 0.00 H new ATOM 311 N VAL A 22 7.693 6.010 3.508 1.00 0.00 N ATOM 312 CA VAL A 22 7.173 5.670 4.834 1.00 0.00 C ATOM 313 C VAL A 22 7.396 6.789 5.865 1.00 0.00 C ATOM 314 O VAL A 22 6.830 6.754 6.956 1.00 0.00 O ATOM 315 CB VAL A 22 7.811 4.365 5.351 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.393 3.191 4.481 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.329 4.477 5.383 1.00 0.00 C ATOM 0 H VAL A 22 8.417 5.374 3.175 1.00 0.00 H new ATOM 0 HA VAL A 22 6.098 5.536 4.716 1.00 0.00 H new ATOM 0 HB VAL A 22 7.457 4.196 6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.851 2.277 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.308 3.089 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.719 3.364 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.755 3.544 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.701 4.674 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.620 5.294 6.043 1.00 0.00 H new ATOM 327 N ASN A 23 8.211 7.777 5.520 1.00 0.00 N ATOM 328 CA ASN A 23 8.417 8.931 6.391 1.00 0.00 C ATOM 329 C ASN A 23 7.306 9.955 6.164 1.00 0.00 C ATOM 330 O ASN A 23 6.873 10.644 7.092 1.00 0.00 O ATOM 331 CB ASN A 23 9.796 9.557 6.140 1.00 0.00 C ATOM 332 CG ASN A 23 10.016 10.836 6.929 1.00 0.00 C ATOM 333 OD1 ASN A 23 10.400 10.800 8.100 1.00 0.00 O ATOM 334 ND2 ASN A 23 9.812 11.971 6.281 1.00 0.00 N ATOM 0 H ASN A 23 8.739 7.805 4.648 1.00 0.00 H new ATOM 0 HA ASN A 23 8.383 8.602 7.430 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.570 8.836 6.403 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.905 9.769 5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.973 12.862 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.494 11.955 5.312 1.00 0.00 H new ATOM 341 N ASN A 24 6.832 10.019 4.928 1.00 0.00 N ATOM 342 CA ASN A 24 5.730 10.901 4.551 1.00 0.00 C ATOM 343 C ASN A 24 4.504 10.059 4.250 1.00 0.00 C ATOM 344 O ASN A 24 3.644 10.432 3.448 1.00 0.00 O ATOM 345 CB ASN A 24 6.085 11.737 3.316 1.00 0.00 C ATOM 346 CG ASN A 24 7.116 12.815 3.585 1.00 0.00 C ATOM 347 OD1 ASN A 24 7.918 13.146 2.710 1.00 0.00 O ATOM 348 ND2 ASN A 24 7.095 13.384 4.782 1.00 0.00 N ATOM 0 H ASN A 24 7.199 9.462 4.156 1.00 0.00 H new ATOM 0 HA ASN A 24 5.532 11.582 5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.460 11.075 2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.178 12.202 2.930 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.759 14.125 5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.415 13.081 5.479 1.00 0.00 H new ATOM 355 N LEU A 25 4.438 8.913 4.900 1.00 0.00 N ATOM 356 CA LEU A 25 3.443 7.924 4.624 1.00 0.00 C ATOM 357 C LEU A 25 2.305 8.047 5.635 1.00 0.00 C ATOM 358 O LEU A 25 2.525 8.023 6.847 1.00 0.00 O ATOM 359 CB LEU A 25 4.134 6.560 4.664 1.00 0.00 C ATOM 360 CG LEU A 25 3.324 5.431 5.232 1.00 0.00 C ATOM 361 CD1 LEU A 25 2.203 5.063 4.289 1.00 0.00 C ATOM 362 CD2 LEU A 25 4.186 4.218 5.513 1.00 0.00 C ATOM 0 H LEU A 25 5.087 8.650 5.642 1.00 0.00 H new ATOM 0 HA LEU A 25 2.994 8.057 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.430 6.294 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.049 6.655 5.248 1.00 0.00 H new ATOM 0 HG LEU A 25 2.900 5.769 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.624 4.243 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.554 5.926 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.620 4.754 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.568 3.420 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.649 3.879 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.962 4.482 6.232 1.00 0.00 H new ATOM 374 N ASP A 26 1.100 8.225 5.112 1.00 0.00 N ATOM 375 CA ASP A 26 -0.090 8.437 5.932 1.00 0.00 C ATOM 376 C ASP A 26 -0.338 7.279 6.895 1.00 0.00 C ATOM 377 O ASP A 26 -0.336 6.113 6.504 1.00 0.00 O ATOM 378 CB ASP A 26 -1.299 8.637 5.022 1.00 0.00 C ATOM 379 CG ASP A 26 -2.596 8.770 5.787 1.00 0.00 C ATOM 380 OD1 ASP A 26 -2.809 9.828 6.408 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.395 7.809 5.786 1.00 0.00 O ATOM 0 H ASP A 26 0.917 8.227 4.109 1.00 0.00 H new ATOM 0 HA ASP A 26 0.071 9.328 6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.147 9.530 4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.373 7.794 4.335 1.00 0.00 H new ATOM 386 N PRO A 27 -0.538 7.616 8.185 1.00 0.00 N ATOM 387 CA PRO A 27 -0.768 6.642 9.262 1.00 0.00 C ATOM 388 C PRO A 27 -1.947 5.711 9.004 1.00 0.00 C ATOM 389 O PRO A 27 -1.913 4.549 9.404 1.00 0.00 O ATOM 390 CB PRO A 27 -1.056 7.512 10.486 1.00 0.00 C ATOM 391 CG PRO A 27 -0.410 8.813 10.186 1.00 0.00 C ATOM 392 CD PRO A 27 -0.521 8.996 8.699 1.00 0.00 C ATOM 0 HA PRO A 27 0.091 5.980 9.370 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.128 7.630 10.644 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.647 7.067 11.393 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.905 9.626 10.717 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.633 8.813 10.503 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.427 9.537 8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.320 9.563 8.300 1.00 0.00 H new ATOM 400 N ASP A 28 -2.991 6.220 8.355 1.00 0.00 N ATOM 401 CA ASP A 28 -4.156 5.402 8.026 1.00 0.00 C ATOM 402 C ASP A 28 -3.779 4.360 6.990 1.00 0.00 C ATOM 403 O ASP A 28 -4.144 3.189 7.106 1.00 0.00 O ATOM 404 CB ASP A 28 -5.306 6.263 7.500 1.00 0.00 C ATOM 405 CG ASP A 28 -5.886 7.168 8.562 1.00 0.00 C ATOM 406 OD1 ASP A 28 -5.348 8.277 8.769 1.00 0.00 O ATOM 407 OD2 ASP A 28 -6.896 6.785 9.181 1.00 0.00 O ATOM 0 H ASP A 28 -3.055 7.190 8.047 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.491 4.907 8.937 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.950 6.868 6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.092 5.615 7.111 1.00 0.00 H new ATOM 412 N LEU A 29 -3.045 4.792 5.976 1.00 0.00 N ATOM 413 CA LEU A 29 -2.488 3.873 5.003 1.00 0.00 C ATOM 414 C LEU A 29 -1.579 2.875 5.704 1.00 0.00 C ATOM 415 O LEU A 29 -1.676 1.670 5.479 1.00 0.00 O ATOM 416 CB LEU A 29 -1.696 4.635 3.946 1.00 0.00 C ATOM 417 CG LEU A 29 -2.500 5.608 3.089 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.569 6.366 2.164 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.565 4.870 2.294 1.00 0.00 C ATOM 0 H LEU A 29 -2.823 5.773 5.808 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.304 3.341 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.901 5.190 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.215 3.912 3.287 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.004 6.320 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.148 7.060 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.842 6.922 2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.047 5.662 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.127 5.582 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.090 4.137 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.243 4.361 2.979 1.00 0.00 H new ATOM 431 N ARG A 30 -0.715 3.393 6.572 1.00 0.00 N ATOM 432 CA ARG A 30 0.222 2.574 7.331 1.00 0.00 C ATOM 433 C ARG A 30 -0.518 1.503 8.132 1.00 0.00 C ATOM 434 O ARG A 30 -0.071 0.357 8.220 1.00 0.00 O ATOM 435 CB ARG A 30 1.043 3.458 8.256 1.00 0.00 C ATOM 436 CG ARG A 30 2.290 2.785 8.797 1.00 0.00 C ATOM 437 CD ARG A 30 3.325 3.824 9.156 1.00 0.00 C ATOM 438 NE ARG A 30 4.654 3.248 9.351 1.00 0.00 N ATOM 439 CZ ARG A 30 5.781 3.960 9.326 1.00 0.00 C ATOM 440 NH1 ARG A 30 5.737 5.283 9.209 1.00 0.00 N ATOM 441 NH2 ARG A 30 6.953 3.347 9.440 1.00 0.00 N ATOM 0 H ARG A 30 -0.645 4.392 6.768 1.00 0.00 H new ATOM 0 HA ARG A 30 0.891 2.070 6.634 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.333 4.361 7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.419 3.772 9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.040 2.191 9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.695 2.099 8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.370 4.574 8.367 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.018 4.338 10.067 1.00 0.00 H new ATOM 0 HE ARG A 30 4.723 2.244 9.516 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.838 5.759 9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.603 5.822 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.990 2.333 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.816 3.890 9.421 1.00 0.00 H new ATOM 455 N SER A 31 -1.657 1.893 8.699 1.00 0.00 N ATOM 456 CA SER A 31 -2.522 0.977 9.432 1.00 0.00 C ATOM 457 C SER A 31 -2.939 -0.173 8.525 1.00 0.00 C ATOM 458 O SER A 31 -2.743 -1.346 8.848 1.00 0.00 O ATOM 459 CB SER A 31 -3.773 1.716 9.924 1.00 0.00 C ATOM 460 OG SER A 31 -4.456 0.972 10.913 1.00 0.00 O ATOM 0 H SER A 31 -2.004 2.851 8.663 1.00 0.00 H new ATOM 0 HA SER A 31 -1.975 0.585 10.290 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.488 2.687 10.329 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.440 1.905 9.083 1.00 0.00 H new ATOM 0 HG SER A 31 -5.247 1.469 11.208 1.00 0.00 H new ATOM 466 N LEU A 32 -3.488 0.191 7.371 1.00 0.00 N ATOM 467 CA LEU A 32 -3.988 -0.766 6.404 1.00 0.00 C ATOM 468 C LEU A 32 -2.902 -1.724 5.955 1.00 0.00 C ATOM 469 O LEU A 32 -3.081 -2.943 5.974 1.00 0.00 O ATOM 470 CB LEU A 32 -4.535 -0.036 5.181 1.00 0.00 C ATOM 471 CG LEU A 32 -4.989 -0.955 4.059 1.00 0.00 C ATOM 472 CD1 LEU A 32 -6.024 -1.928 4.575 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.544 -0.160 2.893 1.00 0.00 C ATOM 0 H LEU A 32 -3.597 1.164 7.084 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.780 -1.337 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.376 0.586 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.766 0.634 4.798 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.124 -1.513 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.344 -2.583 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.592 -2.527 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.883 -1.377 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.861 -0.843 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.398 0.429 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.773 0.506 2.507 1.00 0.00 H new ATOM 485 N PHE A 33 -1.782 -1.158 5.552 1.00 0.00 N ATOM 486 CA PHE A 33 -0.699 -1.930 4.971 1.00 0.00 C ATOM 487 C PHE A 33 -0.158 -2.927 5.982 1.00 0.00 C ATOM 488 O PHE A 33 0.081 -4.090 5.657 1.00 0.00 O ATOM 489 CB PHE A 33 0.415 -0.997 4.485 1.00 0.00 C ATOM 490 CG PHE A 33 -0.046 0.043 3.494 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.119 -0.213 2.648 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.586 1.277 3.409 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.548 0.739 1.742 1.00 0.00 C ATOM 494 CE2 PHE A 33 0.159 2.228 2.505 1.00 0.00 C ATOM 495 CZ PHE A 33 -0.883 1.962 1.663 1.00 0.00 C ATOM 0 H PHE A 33 -1.596 -0.157 5.617 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.084 -2.484 4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.855 -0.494 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.203 -1.596 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.623 -1.167 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.421 1.495 4.058 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.392 0.537 1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.652 3.188 2.463 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.192 2.699 0.936 1.00 0.00 H new ATOM 505 N SER A 34 -0.014 -2.475 7.218 1.00 0.00 N ATOM 506 CA SER A 34 0.483 -3.319 8.287 1.00 0.00 C ATOM 507 C SER A 34 -0.494 -4.463 8.573 1.00 0.00 C ATOM 508 O SER A 34 -0.081 -5.571 8.921 1.00 0.00 O ATOM 509 CB SER A 34 0.725 -2.485 9.540 1.00 0.00 C ATOM 510 OG SER A 34 1.299 -3.266 10.576 1.00 0.00 O ATOM 0 H SER A 34 -0.237 -1.522 7.504 1.00 0.00 H new ATOM 0 HA SER A 34 1.430 -3.759 7.974 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.385 -1.651 9.302 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.217 -2.058 9.883 1.00 0.00 H new ATOM 0 HG SER A 34 1.444 -2.705 11.366 1.00 0.00 H new ATOM 516 N ARG A 35 -1.790 -4.194 8.412 1.00 0.00 N ATOM 517 CA ARG A 35 -2.812 -5.227 8.564 1.00 0.00 C ATOM 518 C ARG A 35 -2.696 -6.245 7.443 1.00 0.00 C ATOM 519 O ARG A 35 -2.726 -7.454 7.670 1.00 0.00 O ATOM 520 CB ARG A 35 -4.210 -4.623 8.525 1.00 0.00 C ATOM 521 CG ARG A 35 -4.519 -3.728 9.695 1.00 0.00 C ATOM 522 CD ARG A 35 -5.852 -3.021 9.507 1.00 0.00 C ATOM 523 NE ARG A 35 -6.103 -2.043 10.558 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.201 -1.294 10.642 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.174 -1.403 9.741 1.00 0.00 N ATOM 526 NH2 ARG A 35 -7.327 -0.431 11.639 1.00 0.00 N ATOM 0 H ARG A 35 -2.155 -3.271 8.177 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.654 -5.709 9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.323 -4.052 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.943 -5.429 8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.543 -4.318 10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.726 -2.990 9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.865 -2.523 8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.655 -3.758 9.498 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.390 -1.924 11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.085 -2.067 8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.009 -0.822 9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.586 -0.344 12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.165 0.147 11.711 1.00 0.00 H new ATOM 540 N ALA A 36 -2.549 -5.720 6.232 1.00 0.00 N ATOM 541 CA ALA A 36 -2.503 -6.524 5.020 1.00 0.00 C ATOM 542 C ALA A 36 -1.275 -7.432 4.993 1.00 0.00 C ATOM 543 O ALA A 36 -1.261 -8.462 4.317 1.00 0.00 O ATOM 544 CB ALA A 36 -2.522 -5.606 3.804 1.00 0.00 C ATOM 0 H ALA A 36 -2.458 -4.718 6.064 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.380 -7.171 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.488 -6.206 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.435 -5.011 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.657 -4.944 3.835 1.00 0.00 H new ATOM 550 N GLY A 37 -0.246 -7.043 5.730 1.00 0.00 N ATOM 551 CA GLY A 37 0.964 -7.834 5.793 1.00 0.00 C ATOM 552 C GLY A 37 2.135 -7.102 5.194 1.00 0.00 C ATOM 553 O GLY A 37 3.290 -7.454 5.433 1.00 0.00 O ATOM 0 H GLY A 37 -0.228 -6.189 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.183 -8.084 6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.813 -8.775 5.264 1.00 0.00 H new ATOM 557 N ILE A 38 1.819 -6.079 4.415 1.00 0.00 N ATOM 558 CA ILE A 38 2.818 -5.246 3.778 1.00 0.00 C ATOM 559 C ILE A 38 3.624 -4.485 4.828 1.00 0.00 C ATOM 560 O ILE A 38 3.097 -3.611 5.519 1.00 0.00 O ATOM 561 CB ILE A 38 2.155 -4.227 2.835 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.043 -4.889 2.016 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.197 -3.621 1.912 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.000 -3.915 1.527 1.00 0.00 C ATOM 0 H ILE A 38 0.858 -5.805 4.208 1.00 0.00 H new ATOM 0 HA ILE A 38 3.478 -5.898 3.205 1.00 0.00 H new ATOM 0 HB ILE A 38 1.710 -3.436 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.486 -5.397 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.559 -5.653 2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.720 -2.901 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.960 -3.117 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.661 -4.410 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.757 -4.450 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.469 -3.425 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.472 -3.165 0.892 1.00 0.00 H new ATOM 576 N SER A 39 4.890 -4.834 4.964 1.00 0.00 N ATOM 577 CA SER A 39 5.756 -4.155 5.913 1.00 0.00 C ATOM 578 C SER A 39 6.469 -2.985 5.239 1.00 0.00 C ATOM 579 O SER A 39 6.277 -2.746 4.042 1.00 0.00 O ATOM 580 CB SER A 39 6.768 -5.136 6.509 1.00 0.00 C ATOM 581 OG SER A 39 7.521 -4.538 7.553 1.00 0.00 O ATOM 0 H SER A 39 5.341 -5.579 4.433 1.00 0.00 H new ATOM 0 HA SER A 39 5.144 -3.761 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.245 -6.012 6.892 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.442 -5.485 5.727 1.00 0.00 H new ATOM 0 HG SER A 39 8.157 -5.191 7.913 1.00 0.00 H new ATOM 587 N GLU A 40 7.293 -2.278 6.002 1.00 0.00 N ATOM 588 CA GLU A 40 8.005 -1.097 5.519 1.00 0.00 C ATOM 589 C GLU A 40 8.801 -1.415 4.253 1.00 0.00 C ATOM 590 O GLU A 40 8.759 -0.667 3.273 1.00 0.00 O ATOM 591 CB GLU A 40 8.933 -0.583 6.622 1.00 0.00 C ATOM 592 CG GLU A 40 9.730 0.655 6.252 1.00 0.00 C ATOM 593 CD GLU A 40 10.569 1.145 7.409 1.00 0.00 C ATOM 594 OE1 GLU A 40 11.641 0.556 7.663 1.00 0.00 O ATOM 595 OE2 GLU A 40 10.145 2.098 8.095 1.00 0.00 O ATOM 0 H GLU A 40 7.488 -2.507 6.977 1.00 0.00 H new ATOM 0 HA GLU A 40 7.279 -0.325 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.336 -0.364 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.627 -1.378 6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.376 0.432 5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.049 1.445 5.936 1.00 0.00 H new ATOM 602 N ALA A 41 9.519 -2.533 4.277 1.00 0.00 N ATOM 603 CA ALA A 41 10.271 -2.987 3.117 1.00 0.00 C ATOM 604 C ALA A 41 9.362 -3.158 1.903 1.00 0.00 C ATOM 605 O ALA A 41 9.612 -2.586 0.847 1.00 0.00 O ATOM 606 CB ALA A 41 10.987 -4.289 3.434 1.00 0.00 C ATOM 0 H ALA A 41 9.595 -3.142 5.092 1.00 0.00 H new ATOM 0 HA ALA A 41 11.013 -2.227 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.546 -4.619 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.674 -4.133 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.255 -5.050 3.705 1.00 0.00 H new ATOM 612 N GLN A 42 8.296 -3.927 2.059 1.00 0.00 N ATOM 613 CA GLN A 42 7.373 -4.163 0.956 1.00 0.00 C ATOM 614 C GLN A 42 6.809 -2.850 0.422 1.00 0.00 C ATOM 615 O GLN A 42 6.683 -2.667 -0.788 1.00 0.00 O ATOM 616 CB GLN A 42 6.221 -5.065 1.376 1.00 0.00 C ATOM 617 CG GLN A 42 6.619 -6.501 1.623 1.00 0.00 C ATOM 618 CD GLN A 42 5.417 -7.398 1.822 1.00 0.00 C ATOM 619 OE1 GLN A 42 4.930 -7.562 2.936 1.00 0.00 O ATOM 620 NE2 GLN A 42 4.939 -7.995 0.743 1.00 0.00 N ATOM 0 H GLN A 42 8.048 -4.396 2.930 1.00 0.00 H new ATOM 0 HA GLN A 42 7.942 -4.659 0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.771 -4.663 2.284 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.454 -5.040 0.602 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.206 -6.864 0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.259 -6.553 2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.374 -7.831 -0.165 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.136 -8.619 0.819 1.00 0.00 H new ATOM 629 N LEU A 43 6.480 -1.939 1.335 1.00 0.00 N ATOM 630 CA LEU A 43 5.937 -0.637 0.963 1.00 0.00 C ATOM 631 C LEU A 43 6.911 0.146 0.106 1.00 0.00 C ATOM 632 O LEU A 43 6.504 0.979 -0.699 1.00 0.00 O ATOM 633 CB LEU A 43 5.582 0.183 2.204 1.00 0.00 C ATOM 634 CG LEU A 43 4.331 -0.279 2.945 1.00 0.00 C ATOM 635 CD1 LEU A 43 4.084 0.585 4.171 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.131 -0.237 2.016 1.00 0.00 C ATOM 0 H LEU A 43 6.581 -2.080 2.340 1.00 0.00 H new ATOM 0 HA LEU A 43 5.032 -0.822 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.426 0.155 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.447 1.223 1.908 1.00 0.00 H new ATOM 0 HG LEU A 43 4.483 -1.306 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.187 0.239 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.938 0.514 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.949 1.622 3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.243 -0.569 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.981 0.783 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.307 -0.895 1.165 1.00 0.00 H new ATOM 648 N THR A 44 8.190 -0.143 0.260 1.00 0.00 N ATOM 649 CA THR A 44 9.213 0.585 -0.459 1.00 0.00 C ATOM 650 C THR A 44 9.735 -0.234 -1.638 1.00 0.00 C ATOM 651 O THR A 44 10.770 0.083 -2.225 1.00 0.00 O ATOM 652 CB THR A 44 10.372 0.990 0.477 1.00 0.00 C ATOM 653 OG1 THR A 44 10.724 -0.103 1.339 1.00 0.00 O ATOM 654 CG2 THR A 44 9.989 2.197 1.322 1.00 0.00 C ATOM 0 H THR A 44 8.542 -0.876 0.876 1.00 0.00 H new ATOM 0 HA THR A 44 8.761 1.497 -0.848 1.00 0.00 H new ATOM 0 HB THR A 44 11.229 1.251 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.295 -0.733 0.852 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.821 2.464 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.755 3.038 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.117 1.954 1.929 1.00 0.00 H new ATOM 662 N ASP A 45 9.017 -1.302 -1.981 1.00 0.00 N ATOM 663 CA ASP A 45 9.384 -2.113 -3.134 1.00 0.00 C ATOM 664 C ASP A 45 8.633 -1.659 -4.373 1.00 0.00 C ATOM 665 O ASP A 45 7.520 -1.144 -4.262 1.00 0.00 O ATOM 666 CB ASP A 45 9.096 -3.592 -2.905 1.00 0.00 C ATOM 667 CG ASP A 45 9.971 -4.457 -3.784 1.00 0.00 C ATOM 668 OD1 ASP A 45 11.206 -4.388 -3.651 1.00 0.00 O ATOM 669 OD2 ASP A 45 9.413 -5.240 -4.587 1.00 0.00 O ATOM 0 H ASP A 45 8.187 -1.621 -1.481 1.00 0.00 H new ATOM 0 HA ASP A 45 10.456 -1.982 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.267 -3.841 -1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.047 -3.799 -3.115 1.00 0.00 H new ATOM 674 N ALA A 46 9.219 -1.870 -5.542 1.00 0.00 N ATOM 675 CA ALA A 46 8.646 -1.372 -6.783 1.00 0.00 C ATOM 676 C ALA A 46 7.287 -1.998 -7.087 1.00 0.00 C ATOM 677 O ALA A 46 6.255 -1.321 -7.011 1.00 0.00 O ATOM 678 CB ALA A 46 9.606 -1.607 -7.936 1.00 0.00 C ATOM 0 H ALA A 46 10.093 -2.384 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 46 8.486 -0.301 -6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.165 -1.230 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.543 -1.085 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.800 -2.675 -8.036 1.00 0.00 H new ATOM 684 N GLU A 47 7.285 -3.288 -7.411 1.00 0.00 N ATOM 685 CA GLU A 47 6.073 -3.954 -7.876 1.00 0.00 C ATOM 686 C GLU A 47 5.030 -4.008 -6.771 1.00 0.00 C ATOM 687 O GLU A 47 3.837 -3.855 -7.029 1.00 0.00 O ATOM 688 CB GLU A 47 6.395 -5.361 -8.403 1.00 0.00 C ATOM 689 CG GLU A 47 6.464 -6.452 -7.340 1.00 0.00 C ATOM 690 CD GLU A 47 7.326 -7.620 -7.775 1.00 0.00 C ATOM 691 OE1 GLU A 47 6.891 -8.392 -8.653 1.00 0.00 O ATOM 692 OE2 GLU A 47 8.457 -7.752 -7.266 1.00 0.00 O ATOM 0 H GLU A 47 8.106 -3.891 -7.360 1.00 0.00 H new ATOM 0 HA GLU A 47 5.657 -3.374 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.639 -5.639 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.350 -5.326 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.863 -6.032 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.457 -6.807 -7.120 1.00 0.00 H new ATOM 699 N THR A 48 5.489 -4.209 -5.540 1.00 0.00 N ATOM 700 CA THR A 48 4.598 -4.266 -4.401 1.00 0.00 C ATOM 701 C THR A 48 3.791 -2.975 -4.249 1.00 0.00 C ATOM 702 O THR A 48 2.563 -2.996 -4.323 1.00 0.00 O ATOM 703 CB THR A 48 5.369 -4.554 -3.097 1.00 0.00 C ATOM 704 OG1 THR A 48 6.164 -5.739 -3.253 1.00 0.00 O ATOM 705 CG2 THR A 48 4.391 -4.731 -1.940 1.00 0.00 C ATOM 0 H THR A 48 6.475 -4.335 -5.312 1.00 0.00 H new ATOM 0 HA THR A 48 3.905 -5.086 -4.587 1.00 0.00 H new ATOM 0 HB THR A 48 6.025 -3.711 -2.878 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.653 -5.917 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.945 -4.934 -1.023 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.805 -3.820 -1.816 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.723 -5.566 -2.153 1.00 0.00 H new ATOM 713 N SER A 49 4.480 -1.853 -4.069 1.00 0.00 N ATOM 714 CA SER A 49 3.813 -0.583 -3.795 1.00 0.00 C ATOM 715 C SER A 49 3.001 -0.108 -4.996 1.00 0.00 C ATOM 716 O SER A 49 1.927 0.478 -4.841 1.00 0.00 O ATOM 717 CB SER A 49 4.842 0.476 -3.421 1.00 0.00 C ATOM 718 OG SER A 49 5.712 0.735 -4.507 1.00 0.00 O ATOM 0 H SER A 49 5.498 -1.796 -4.108 1.00 0.00 H new ATOM 0 HA SER A 49 3.128 -0.739 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.335 1.395 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.419 0.141 -2.559 1.00 0.00 H new ATOM 0 HG SER A 49 6.481 0.129 -4.462 1.00 0.00 H new ATOM 724 N LYS A 50 3.528 -0.361 -6.189 1.00 0.00 N ATOM 725 CA LYS A 50 2.865 0.021 -7.428 1.00 0.00 C ATOM 726 C LYS A 50 1.468 -0.588 -7.484 1.00 0.00 C ATOM 727 O LYS A 50 0.492 0.078 -7.834 1.00 0.00 O ATOM 728 CB LYS A 50 3.687 -0.464 -8.625 1.00 0.00 C ATOM 729 CG LYS A 50 3.411 0.286 -9.916 1.00 0.00 C ATOM 730 CD LYS A 50 4.137 -0.353 -11.090 1.00 0.00 C ATOM 731 CE LYS A 50 4.206 0.585 -12.280 1.00 0.00 C ATOM 732 NZ LYS A 50 5.192 1.677 -12.061 1.00 0.00 N ATOM 0 H LYS A 50 4.422 -0.834 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 50 2.780 1.107 -7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.746 -0.373 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.486 -1.524 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.339 0.297 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.727 1.324 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.146 -0.632 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.626 -1.271 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.479 0.022 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.221 1.015 -12.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.376 2.164 -12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.811 2.356 -11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.080 1.275 -11.697 1.00 0.00 H new ATOM 746 N LEU A 51 1.380 -1.856 -7.110 1.00 0.00 N ATOM 747 CA LEU A 51 0.117 -2.570 -7.132 1.00 0.00 C ATOM 748 C LEU A 51 -0.730 -2.246 -5.909 1.00 0.00 C ATOM 749 O LEU A 51 -1.948 -2.407 -5.937 1.00 0.00 O ATOM 750 CB LEU A 51 0.369 -4.068 -7.251 1.00 0.00 C ATOM 751 CG LEU A 51 0.815 -4.511 -8.644 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.447 -5.885 -8.599 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.370 -4.513 -9.592 1.00 0.00 C ATOM 0 H LEU A 51 2.172 -2.411 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.448 -2.242 -8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.131 -4.357 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.543 -4.602 -6.985 1.00 0.00 H new ATOM 0 HG LEU A 51 1.562 -3.804 -9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.756 -6.177 -9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.318 -5.864 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.724 -6.606 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.043 -4.830 -10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.130 -5.202 -9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.789 -3.509 -9.652 1.00 0.00 H new ATOM 765 N ILE A 52 -0.091 -1.798 -4.832 1.00 0.00 N ATOM 766 CA ILE A 52 -0.822 -1.270 -3.690 1.00 0.00 C ATOM 767 C ILE A 52 -1.569 0.008 -4.067 1.00 0.00 C ATOM 768 O ILE A 52 -2.721 0.197 -3.682 1.00 0.00 O ATOM 769 CB ILE A 52 0.105 -0.976 -2.501 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.743 -2.273 -2.002 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.670 -0.281 -1.389 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.653 -2.085 -0.814 1.00 0.00 C ATOM 0 H ILE A 52 0.924 -1.791 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.535 -2.039 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 52 0.902 -0.307 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.046 -2.976 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.311 -2.724 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.002 -0.078 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.079 0.658 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.484 -0.925 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.068 -3.048 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.464 -1.407 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.086 -1.663 0.016 1.00 0.00 H new ATOM 784 N TYR A 53 -0.918 0.887 -4.816 1.00 0.00 N ATOM 785 CA TYR A 53 -1.584 2.096 -5.273 1.00 0.00 C ATOM 786 C TYR A 53 -2.737 1.741 -6.203 1.00 0.00 C ATOM 787 O TYR A 53 -3.846 2.261 -6.060 1.00 0.00 O ATOM 788 CB TYR A 53 -0.620 3.049 -5.980 1.00 0.00 C ATOM 789 CG TYR A 53 -1.349 4.191 -6.645 1.00 0.00 C ATOM 790 CD1 TYR A 53 -2.051 5.119 -5.888 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.379 4.308 -8.028 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.759 6.143 -6.493 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.091 5.322 -8.640 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.778 6.237 -7.870 1.00 0.00 C ATOM 795 OH TYR A 53 -3.497 7.243 -8.481 1.00 0.00 O ATOM 0 H TYR A 53 0.052 0.789 -5.115 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.969 2.609 -4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.095 3.445 -5.258 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.047 2.499 -6.727 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.045 5.041 -4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.838 3.596 -8.634 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.293 6.864 -5.892 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.109 5.398 -9.717 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.238 6.853 -8.990 1.00 0.00 H new ATOM 805 N ASP A 54 -2.470 0.847 -7.149 1.00 0.00 N ATOM 806 CA ASP A 54 -3.506 0.345 -8.050 1.00 0.00 C ATOM 807 C ASP A 54 -4.650 -0.260 -7.247 1.00 0.00 C ATOM 808 O ASP A 54 -5.821 -0.090 -7.580 1.00 0.00 O ATOM 809 CB ASP A 54 -2.916 -0.694 -9.005 1.00 0.00 C ATOM 810 CG ASP A 54 -3.982 -1.438 -9.784 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.474 -0.895 -10.796 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.323 -2.576 -9.390 1.00 0.00 O ATOM 0 H ASP A 54 -1.544 0.453 -7.313 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.895 1.176 -8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.240 -0.199 -9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.321 -1.409 -8.437 1.00 0.00 H new ATOM 817 N PHE A 55 -4.288 -0.951 -6.176 1.00 0.00 N ATOM 818 CA PHE A 55 -5.251 -1.477 -5.223 1.00 0.00 C ATOM 819 C PHE A 55 -6.155 -0.366 -4.701 1.00 0.00 C ATOM 820 O PHE A 55 -7.374 -0.437 -4.823 1.00 0.00 O ATOM 821 CB PHE A 55 -4.506 -2.137 -4.058 1.00 0.00 C ATOM 822 CG PHE A 55 -5.351 -2.409 -2.851 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.078 -3.589 -2.738 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.426 -1.486 -1.832 1.00 0.00 C ATOM 825 CE1 PHE A 55 -6.857 -3.834 -1.629 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.203 -1.725 -0.724 1.00 0.00 C ATOM 827 CZ PHE A 55 -6.910 -2.923 -0.615 1.00 0.00 C ATOM 0 H PHE A 55 -3.317 -1.162 -5.944 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.874 -2.217 -5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.077 -3.077 -4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.674 -1.496 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.031 -4.322 -3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.868 -0.564 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.427 -4.749 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.266 -0.986 0.061 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.497 -3.128 0.268 1.00 0.00 H new ATOM 837 N ILE A 56 -5.539 0.662 -4.134 1.00 0.00 N ATOM 838 CA ILE A 56 -6.267 1.773 -3.538 1.00 0.00 C ATOM 839 C ILE A 56 -7.164 2.462 -4.566 1.00 0.00 C ATOM 840 O ILE A 56 -8.293 2.857 -4.267 1.00 0.00 O ATOM 841 CB ILE A 56 -5.291 2.801 -2.929 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.418 2.132 -1.864 1.00 0.00 C ATOM 843 CG2 ILE A 56 -6.047 3.977 -2.334 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.389 3.055 -1.252 1.00 0.00 C ATOM 0 H ILE A 56 -4.524 0.749 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.896 1.365 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.648 3.179 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.060 1.743 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.908 1.278 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.338 4.689 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.631 4.466 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.715 3.621 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.809 2.510 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.723 3.425 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.892 3.896 -0.776 1.00 0.00 H new ATOM 856 N GLU A 57 -6.663 2.568 -5.786 1.00 0.00 N ATOM 857 CA GLU A 57 -7.379 3.243 -6.859 1.00 0.00 C ATOM 858 C GLU A 57 -8.525 2.372 -7.376 1.00 0.00 C ATOM 859 O GLU A 57 -9.511 2.880 -7.915 1.00 0.00 O ATOM 860 CB GLU A 57 -6.409 3.592 -7.992 1.00 0.00 C ATOM 861 CG GLU A 57 -7.014 4.486 -9.061 1.00 0.00 C ATOM 862 CD GLU A 57 -5.984 5.017 -10.035 1.00 0.00 C ATOM 863 OE1 GLU A 57 -5.480 4.227 -10.863 1.00 0.00 O ATOM 864 OE2 GLU A 57 -5.650 6.214 -9.965 1.00 0.00 O ATOM 0 H GLU A 57 -5.755 2.192 -6.060 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.809 4.165 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.534 4.087 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.060 2.670 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.771 3.926 -9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.521 5.324 -8.583 1.00 0.00 H new ATOM 871 N ASP A 58 -8.402 1.064 -7.180 1.00 0.00 N ATOM 872 CA ASP A 58 -9.416 0.114 -7.634 1.00 0.00 C ATOM 873 C ASP A 58 -10.731 0.329 -6.894 1.00 0.00 C ATOM 874 O ASP A 58 -11.803 0.253 -7.491 1.00 0.00 O ATOM 875 CB ASP A 58 -8.941 -1.330 -7.434 1.00 0.00 C ATOM 876 CG ASP A 58 -9.862 -2.352 -8.080 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.854 -2.751 -7.432 1.00 0.00 O ATOM 878 OD2 ASP A 58 -9.611 -2.755 -9.237 1.00 0.00 O ATOM 0 H ASP A 58 -7.607 0.634 -6.708 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.578 0.287 -8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.939 -1.438 -7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.868 -1.538 -6.367 1.00 0.00 H new ATOM 883 N GLN A 59 -10.650 0.617 -5.595 1.00 0.00 N ATOM 884 CA GLN A 59 -11.862 0.830 -4.800 1.00 0.00 C ATOM 885 C GLN A 59 -12.348 2.275 -4.893 1.00 0.00 C ATOM 886 O GLN A 59 -13.340 2.647 -4.263 1.00 0.00 O ATOM 887 CB GLN A 59 -11.664 0.433 -3.329 1.00 0.00 C ATOM 888 CG GLN A 59 -11.629 -1.072 -3.092 1.00 0.00 C ATOM 889 CD GLN A 59 -10.251 -1.669 -3.288 1.00 0.00 C ATOM 890 OE1 GLN A 59 -10.108 -2.809 -3.732 1.00 0.00 O ATOM 891 NE2 GLN A 59 -9.231 -0.916 -2.920 1.00 0.00 N ATOM 0 H GLN A 59 -9.776 0.707 -5.077 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.627 0.180 -5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.732 0.869 -2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.469 0.865 -2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.970 -1.283 -2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.330 -1.558 -3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.395 0.023 -2.557 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.279 -1.273 -2.998 1.00 0.00 H new ATOM 900 N GLY A 60 -11.660 3.091 -5.680 1.00 0.00 N ATOM 901 CA GLY A 60 -12.117 4.451 -5.899 1.00 0.00 C ATOM 902 C GLY A 60 -11.130 5.508 -5.447 1.00 0.00 C ATOM 903 O GLY A 60 -11.130 6.622 -5.968 1.00 0.00 O ATOM 0 H GLY A 60 -10.800 2.839 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.322 4.589 -6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.059 4.597 -5.371 1.00 0.00 H new ATOM 907 N GLY A 61 -10.287 5.181 -4.482 1.00 0.00 N ATOM 908 CA GLY A 61 -9.304 6.145 -4.031 1.00 0.00 C ATOM 909 C GLY A 61 -8.949 6.006 -2.567 1.00 0.00 C ATOM 910 O GLY A 61 -9.274 5.000 -1.933 1.00 0.00 O ATOM 0 H GLY A 61 -10.263 4.279 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.399 6.035 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.684 7.151 -4.210 1.00 0.00 H new ATOM 914 N LEU A 62 -8.292 7.031 -2.032 1.00 0.00 N ATOM 915 CA LEU A 62 -7.781 6.996 -0.665 1.00 0.00 C ATOM 916 C LEU A 62 -8.914 6.972 0.352 1.00 0.00 C ATOM 917 O LEU A 62 -8.941 6.127 1.248 1.00 0.00 O ATOM 918 CB LEU A 62 -6.880 8.204 -0.412 1.00 0.00 C ATOM 919 CG LEU A 62 -5.607 8.247 -1.257 1.00 0.00 C ATOM 920 CD1 LEU A 62 -4.820 9.515 -0.973 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.755 7.020 -0.984 1.00 0.00 C ATOM 0 H LEU A 62 -8.100 7.901 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.202 6.080 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.453 9.112 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.600 8.215 0.641 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.889 8.249 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.917 9.527 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.432 10.384 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.545 9.544 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.851 7.062 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.482 6.994 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.319 6.122 -1.235 1.00 0.00 H new ATOM 933 N GLU A 63 -9.852 7.895 0.197 1.00 0.00 N ATOM 934 CA GLU A 63 -10.992 7.987 1.099 1.00 0.00 C ATOM 935 C GLU A 63 -11.809 6.705 1.051 1.00 0.00 C ATOM 936 O GLU A 63 -12.368 6.271 2.056 1.00 0.00 O ATOM 937 CB GLU A 63 -11.876 9.175 0.720 1.00 0.00 C ATOM 938 CG GLU A 63 -11.133 10.499 0.653 1.00 0.00 C ATOM 939 CD GLU A 63 -10.481 10.878 1.965 1.00 0.00 C ATOM 940 OE1 GLU A 63 -9.379 10.368 2.254 1.00 0.00 O ATOM 941 OE2 GLU A 63 -11.075 11.672 2.721 1.00 0.00 O ATOM 0 H GLU A 63 -9.846 8.593 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.617 8.132 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.336 8.978 -0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.685 9.260 1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.369 10.442 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.828 11.285 0.359 1.00 0.00 H new ATOM 948 N ALA A 64 -11.837 6.085 -0.121 1.00 0.00 N ATOM 949 CA ALA A 64 -12.648 4.899 -0.343 1.00 0.00 C ATOM 950 C ALA A 64 -12.179 3.729 0.513 1.00 0.00 C ATOM 951 O ALA A 64 -12.979 3.108 1.210 1.00 0.00 O ATOM 952 CB ALA A 64 -12.634 4.520 -1.813 1.00 0.00 C ATOM 0 H ALA A 64 -11.303 6.387 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.670 5.135 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.245 3.630 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.036 5.342 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.610 4.315 -2.126 1.00 0.00 H new ATOM 958 N VAL A 65 -10.882 3.436 0.478 1.00 0.00 N ATOM 959 CA VAL A 65 -10.353 2.304 1.233 1.00 0.00 C ATOM 960 C VAL A 65 -10.372 2.606 2.729 1.00 0.00 C ATOM 961 O VAL A 65 -10.468 1.702 3.557 1.00 0.00 O ATOM 962 CB VAL A 65 -8.927 1.908 0.784 1.00 0.00 C ATOM 963 CG1 VAL A 65 -8.862 1.769 -0.727 1.00 0.00 C ATOM 964 CG2 VAL A 65 -7.889 2.897 1.287 1.00 0.00 C ATOM 0 H VAL A 65 -10.187 3.958 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.002 1.453 1.028 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.694 0.940 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.851 1.490 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.561 0.998 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.127 2.719 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.899 2.587 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.111 3.889 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.911 2.925 2.376 1.00 0.00 H new ATOM 974 N ARG A 66 -10.307 3.889 3.070 1.00 0.00 N ATOM 975 CA ARG A 66 -10.427 4.306 4.457 1.00 0.00 C ATOM 976 C ARG A 66 -11.829 4.011 4.967 1.00 0.00 C ATOM 977 O ARG A 66 -12.015 3.620 6.119 1.00 0.00 O ATOM 978 CB ARG A 66 -10.102 5.792 4.605 1.00 0.00 C ATOM 979 CG ARG A 66 -8.620 6.099 4.478 1.00 0.00 C ATOM 980 CD ARG A 66 -8.342 7.588 4.564 1.00 0.00 C ATOM 981 NE ARG A 66 -6.906 7.866 4.601 1.00 0.00 N ATOM 982 CZ ARG A 66 -6.301 8.774 3.842 1.00 0.00 C ATOM 983 NH1 ARG A 66 -7.001 9.520 3.000 1.00 0.00 N ATOM 984 NH2 ARG A 66 -4.995 8.950 3.945 1.00 0.00 N ATOM 0 H ARG A 66 -10.173 4.652 2.407 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.710 3.744 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.648 6.353 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.456 6.139 5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.073 5.581 5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.250 5.715 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.789 8.092 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.815 7.996 5.457 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.332 7.328 5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.012 9.400 2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.529 10.215 2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.455 8.390 4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.527 9.646 3.364 1.00 0.00 H new ATOM 998 N GLN A 67 -12.812 4.163 4.093 1.00 0.00 N ATOM 999 CA GLN A 67 -14.188 3.862 4.442 1.00 0.00 C ATOM 1000 C GLN A 67 -14.376 2.364 4.623 1.00 0.00 C ATOM 1001 O GLN A 67 -15.140 1.939 5.484 1.00 0.00 O ATOM 1002 CB GLN A 67 -15.149 4.398 3.388 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.131 5.913 3.289 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.469 6.584 4.607 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -14.587 6.853 5.426 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -16.744 6.867 4.818 1.00 0.00 N ATOM 0 H GLN A 67 -12.680 4.493 3.137 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.413 4.357 5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.891 3.972 2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.160 4.066 3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.145 6.241 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.843 6.233 2.529 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.443 6.628 4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.028 7.325 5.684 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.656 1.569 3.824 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.719 0.110 3.936 1.00 0.00 C ATOM 1017 C GLU A 68 -13.290 -0.332 5.331 1.00 0.00 C ATOM 1018 O GLU A 68 -13.756 -1.347 5.836 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.820 -0.588 2.910 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.910 -0.028 1.504 1.00 0.00 C ATOM 1021 CD GLU A 68 -12.906 -1.113 0.443 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -11.925 -1.872 0.353 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -13.911 -1.227 -0.287 1.00 0.00 O ATOM 0 H GLU A 68 -13.027 1.910 3.097 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.754 -0.175 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.786 -0.521 3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.078 -1.647 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.821 0.564 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.072 0.647 1.331 1.00 0.00 H new ATOM 1030 N MET A 69 -12.405 0.444 5.949 1.00 0.00 N ATOM 1031 CA MET A 69 -11.936 0.155 7.303 1.00 0.00 C ATOM 1032 C MET A 69 -13.108 0.062 8.273 1.00 0.00 C ATOM 1033 O MET A 69 -13.107 -0.757 9.189 1.00 0.00 O ATOM 1034 CB MET A 69 -10.971 1.231 7.787 1.00 0.00 C ATOM 1035 CG MET A 69 -9.562 1.071 7.259 1.00 0.00 C ATOM 1036 SD MET A 69 -8.407 2.208 8.039 1.00 0.00 S ATOM 1037 CE MET A 69 -6.871 1.488 7.483 1.00 0.00 C ATOM 0 H MET A 69 -11.996 1.281 5.533 1.00 0.00 H new ATOM 0 HA MET A 69 -11.417 -0.803 7.272 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.352 2.208 7.489 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.944 1.218 8.877 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.228 0.047 7.425 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.559 1.236 6.182 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.308 1.123 8.342 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.081 0.658 6.808 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.284 2.242 6.959 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.112 0.904 8.048 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.281 0.956 8.911 1.00 0.00 C ATOM 1049 C ARG A 70 -16.489 0.355 8.201 1.00 0.00 C ATOM 1050 O ARG A 70 -17.626 0.540 8.636 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.619 2.405 9.294 1.00 0.00 C ATOM 1052 CG ARG A 70 -14.519 3.177 10.020 1.00 0.00 C ATOM 1053 CD ARG A 70 -13.488 3.758 9.062 1.00 0.00 C ATOM 1054 NE ARG A 70 -12.877 4.982 9.592 1.00 0.00 N ATOM 1055 CZ ARG A 70 -11.686 5.458 9.215 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -10.931 4.798 8.350 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -11.254 6.610 9.696 1.00 0.00 N ATOM 0 H ARG A 70 -14.136 1.562 7.269 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.050 0.386 9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.879 2.949 8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.507 2.396 9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.967 3.984 10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.021 2.515 10.728 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.711 3.017 8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.963 3.974 8.105 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.397 5.506 10.296 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.256 3.913 7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.025 5.175 8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.829 7.136 10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.345 6.974 9.409 1.00 0.00 H new ATOM 1071 N ARG A 71 -16.250 -0.350 7.100 1.00 0.00 N ATOM 1072 CA ARG A 71 -17.349 -0.805 6.254 1.00 0.00 C ATOM 1073 C ARG A 71 -17.119 -2.216 5.710 1.00 0.00 C ATOM 1074 O ARG A 71 -17.873 -3.132 6.028 1.00 0.00 O ATOM 1075 CB ARG A 71 -17.557 0.200 5.114 1.00 0.00 C ATOM 1076 CG ARG A 71 -18.706 -0.147 4.189 1.00 0.00 C ATOM 1077 CD ARG A 71 -18.202 -0.735 2.885 1.00 0.00 C ATOM 1078 NE ARG A 71 -17.575 0.268 2.030 1.00 0.00 N ATOM 1079 CZ ARG A 71 -16.590 -0.003 1.179 1.00 0.00 C ATOM 1080 NH1 ARG A 71 -16.145 -1.248 1.052 1.00 0.00 N ATOM 1081 NH2 ARG A 71 -16.057 0.963 0.439 1.00 0.00 N ATOM 0 H ARG A 71 -15.320 -0.616 6.776 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.251 -0.857 6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -17.733 1.187 5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.640 0.265 4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -19.369 -0.859 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.294 0.747 3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.484 -1.526 3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -19.034 -1.195 2.351 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.911 1.229 2.089 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.559 -1.997 1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.389 -1.455 0.399 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.403 1.919 0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -15.302 0.749 -0.212 1.00 0.00 H new ATOM 1095 N GLN A 72 -16.071 -2.368 4.911 1.00 0.00 N ATOM 1096 CA GLN A 72 -15.755 -3.625 4.224 1.00 0.00 C ATOM 1097 C GLN A 72 -16.927 -4.049 3.337 1.00 0.00 C ATOM 1098 O GLN A 72 -16.999 -3.559 2.191 1.00 0.00 O ATOM 1099 CB GLN A 72 -15.383 -4.722 5.237 1.00 0.00 C ATOM 1100 CG GLN A 72 -14.645 -5.922 4.640 1.00 0.00 C ATOM 1101 CD GLN A 72 -15.564 -6.961 4.025 1.00 0.00 C ATOM 1102 OE1 GLN A 72 -15.864 -6.922 2.829 1.00 0.00 O ATOM 1103 NE2 GLN A 72 -16.023 -7.898 4.842 1.00 0.00 N ATOM 1104 OXT GLN A 72 -17.784 -4.837 3.791 1.00 0.00 O ATOM 0 H GLN A 72 -15.407 -1.619 4.716 1.00 0.00 H new ATOM 0 HA GLN A 72 -14.887 -3.469 3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.761 -4.282 6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -16.294 -5.076 5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -13.951 -5.568 3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -14.048 -6.394 5.420 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -15.751 -7.895 5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -16.648 -8.622 4.488 1.00 0.00 H new TER 1113 GLN A 72 ATOM 1114 N GLY B 73 -3.458 -13.691 6.593 1.00 0.00 N ATOM 1115 CA GLY B 73 -4.713 -14.450 6.371 1.00 0.00 C ATOM 1116 C GLY B 73 -5.816 -13.550 5.860 1.00 0.00 C ATOM 1117 O GLY B 73 -5.995 -12.440 6.359 1.00 0.00 O ATOM 0 HA2 GLY B 73 -4.534 -15.252 5.655 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -5.026 -14.920 7.303 1.00 0.00 H new ATOM 1123 N HIS B 74 -6.571 -14.027 4.880 1.00 0.00 N ATOM 1124 CA HIS B 74 -7.574 -13.199 4.214 1.00 0.00 C ATOM 1125 C HIS B 74 -8.769 -12.926 5.130 1.00 0.00 C ATOM 1126 O HIS B 74 -9.640 -12.122 4.802 1.00 0.00 O ATOM 1127 CB HIS B 74 -8.033 -13.866 2.909 1.00 0.00 C ATOM 1128 CG HIS B 74 -8.972 -13.025 2.089 1.00 0.00 C ATOM 1129 ND1 HIS B 74 -10.235 -13.439 1.727 1.00 0.00 N ATOM 1130 CD2 HIS B 74 -8.822 -11.786 1.561 1.00 0.00 C ATOM 1131 CE1 HIS B 74 -10.821 -12.497 1.014 1.00 0.00 C ATOM 1132 NE2 HIS B 74 -9.986 -11.482 0.898 1.00 0.00 N ATOM 0 H HIS B 74 -6.510 -14.982 4.527 1.00 0.00 H new ATOM 0 HA HIS B 74 -7.115 -12.240 3.975 1.00 0.00 H new ATOM 0 HB2 HIS B 74 -7.156 -14.105 2.307 1.00 0.00 H new ATOM 0 HB3 HIS B 74 -8.522 -14.810 3.148 1.00 0.00 H new ATOM 0 HD2 HIS B 74 -7.950 -11.155 1.646 1.00 0.00 H new ATOM 0 HE1 HIS B 74 -11.816 -12.548 0.596 1.00 0.00 H new ATOM 0 HE2 HIS B 74 -10.174 -10.613 0.398 1.00 0.00 H new ATOM 1141 N MET B 75 -8.802 -13.577 6.285 1.00 0.00 N ATOM 1142 CA MET B 75 -9.886 -13.375 7.237 1.00 0.00 C ATOM 1143 C MET B 75 -9.687 -12.078 8.023 1.00 0.00 C ATOM 1144 O MET B 75 -9.375 -12.093 9.217 1.00 0.00 O ATOM 1145 CB MET B 75 -9.992 -14.568 8.188 1.00 0.00 C ATOM 1146 CG MET B 75 -11.191 -14.498 9.117 1.00 0.00 C ATOM 1147 SD MET B 75 -11.310 -15.929 10.206 1.00 0.00 S ATOM 1148 CE MET B 75 -11.466 -17.260 9.014 1.00 0.00 C ATOM 0 H MET B 75 -8.094 -14.247 6.585 1.00 0.00 H new ATOM 0 HA MET B 75 -10.818 -13.293 6.678 1.00 0.00 H new ATOM 0 HB2 MET B 75 -10.049 -15.485 7.602 1.00 0.00 H new ATOM 0 HB3 MET B 75 -9.082 -14.628 8.786 1.00 0.00 H new ATOM 0 HG2 MET B 75 -11.126 -13.592 9.720 1.00 0.00 H new ATOM 0 HG3 MET B 75 -12.102 -14.421 8.523 1.00 0.00 H new ATOM 0 HE1 MET B 75 -12.140 -18.022 9.405 1.00 0.00 H new ATOM 0 HE2 MET B 75 -11.866 -16.867 8.080 1.00 0.00 H new ATOM 0 HE3 MET B 75 -10.486 -17.702 8.832 1.00 0.00 H new ATOM 1158 N LEU B 76 -9.844 -10.956 7.333 1.00 0.00 N ATOM 1159 CA LEU B 76 -9.787 -9.643 7.964 1.00 0.00 C ATOM 1160 C LEU B 76 -11.107 -8.916 7.761 1.00 0.00 C ATOM 1161 O LEU B 76 -11.761 -9.088 6.734 1.00 0.00 O ATOM 1162 CB LEU B 76 -8.630 -8.803 7.411 1.00 0.00 C ATOM 1163 CG LEU B 76 -7.232 -9.304 7.778 1.00 0.00 C ATOM 1164 CD1 LEU B 76 -6.188 -8.283 7.375 1.00 0.00 C ATOM 1165 CD2 LEU B 76 -7.130 -9.598 9.270 1.00 0.00 C ATOM 0 H LEU B 76 -10.013 -10.929 6.328 1.00 0.00 H new ATOM 0 HA LEU B 76 -9.612 -9.787 9.030 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -8.713 -8.768 6.325 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -8.739 -7.780 7.772 1.00 0.00 H new ATOM 0 HG LEU B 76 -7.051 -10.232 7.235 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -5.197 -8.651 7.641 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -6.237 -8.118 6.299 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -6.378 -7.344 7.895 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -6.126 -9.952 9.503 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -7.334 -8.688 9.835 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -7.857 -10.364 9.540 1.00 0.00 H new ATOM 1177 N PRO B 77 -11.519 -8.098 8.738 1.00 0.00 N ATOM 1178 CA PRO B 77 -12.827 -7.450 8.734 1.00 0.00 C ATOM 1179 C PRO B 77 -12.846 -6.106 8.013 1.00 0.00 C ATOM 1180 O PRO B 77 -13.826 -5.366 8.100 1.00 0.00 O ATOM 1181 CB PRO B 77 -13.090 -7.256 10.225 1.00 0.00 C ATOM 1182 CG PRO B 77 -11.740 -7.010 10.813 1.00 0.00 C ATOM 1183 CD PRO B 77 -10.740 -7.733 9.937 1.00 0.00 C ATOM 0 HA PRO B 77 -13.573 -8.042 8.203 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -13.760 -6.415 10.404 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -13.560 -8.137 10.663 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -11.522 -5.942 10.847 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -11.692 -7.378 11.838 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -9.894 -7.094 9.685 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -10.336 -8.614 10.435 1.00 0.00 H new ATOM 1191 N ASP B 78 -11.777 -5.794 7.296 1.00 0.00 N ATOM 1192 CA ASP B 78 -11.667 -4.507 6.626 1.00 0.00 C ATOM 1193 C ASP B 78 -10.973 -4.642 5.273 1.00 0.00 C ATOM 1194 O ASP B 78 -10.763 -5.752 4.778 1.00 0.00 O ATOM 1195 CB ASP B 78 -10.915 -3.497 7.510 1.00 0.00 C ATOM 1196 CG ASP B 78 -9.426 -3.782 7.615 1.00 0.00 C ATOM 1197 OD1 ASP B 78 -9.058 -4.954 7.845 1.00 0.00 O ATOM 1198 OD2 ASP B 78 -8.623 -2.841 7.458 1.00 0.00 O ATOM 0 H ASP B 78 -10.976 -6.412 7.163 1.00 0.00 H new ATOM 0 HA ASP B 78 -12.678 -4.138 6.453 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -11.058 -2.494 7.107 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -11.351 -3.504 8.509 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.615 -3.506 4.694 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.975 -3.444 3.378 1.00 0.00 C ATOM 1205 C VAL B 79 -8.626 -4.189 3.345 1.00 0.00 C ATOM 1206 O VAL B 79 -8.131 -4.556 2.280 1.00 0.00 O ATOM 1207 CB VAL B 79 -9.798 -1.961 2.940 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.197 -1.130 4.051 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -8.949 -1.825 1.686 1.00 0.00 C ATOM 0 H VAL B 79 -10.759 -2.592 5.123 1.00 0.00 H new ATOM 0 HA VAL B 79 -10.631 -3.951 2.670 1.00 0.00 H new ATOM 0 HB VAL B 79 -10.797 -1.589 2.713 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -9.086 -0.099 3.715 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -9.852 -1.159 4.922 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.220 -1.532 4.318 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.856 -0.772 1.422 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -7.959 -2.242 1.870 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -9.423 -2.364 0.866 1.00 0.00 H new ATOM 1219 N ALA B 80 -8.056 -4.453 4.512 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.747 -5.094 4.593 1.00 0.00 C ATOM 1221 C ALA B 80 -6.749 -6.495 3.985 1.00 0.00 C ATOM 1222 O ALA B 80 -5.744 -6.927 3.415 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.275 -5.126 6.029 1.00 0.00 C ATOM 0 H ALA B 80 -8.477 -4.235 5.415 1.00 0.00 H new ATOM 0 HA ALA B 80 -6.050 -4.500 4.002 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.298 -5.606 6.080 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.200 -4.108 6.410 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.987 -5.688 6.634 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.873 -7.199 4.081 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.977 -8.523 3.477 1.00 0.00 C ATOM 1231 C GLN B 81 -7.895 -8.395 1.958 1.00 0.00 C ATOM 1232 O GLN B 81 -7.301 -9.234 1.272 1.00 0.00 O ATOM 1233 CB GLN B 81 -9.297 -9.213 3.861 1.00 0.00 C ATOM 1234 CG GLN B 81 -10.541 -8.535 3.288 1.00 0.00 C ATOM 1235 CD GLN B 81 -11.755 -9.444 3.216 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -12.588 -9.310 2.321 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -11.874 -10.365 4.155 1.00 0.00 N ATOM 0 H GLN B 81 -8.713 -6.881 4.564 1.00 0.00 H new ATOM 0 HA GLN B 81 -7.154 -9.133 3.849 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -9.268 -10.247 3.517 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.378 -9.240 4.948 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -10.785 -7.666 3.900 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -10.315 -8.167 2.287 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -11.163 -10.447 4.882 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -12.677 -10.994 4.153 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.474 -7.312 1.461 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.562 -7.038 0.046 1.00 0.00 C ATOM 1248 C ARG B 82 -7.165 -6.866 -0.554 1.00 0.00 C ATOM 1249 O ARG B 82 -6.951 -7.092 -1.746 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.405 -5.768 -0.146 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.803 -5.499 -1.579 1.00 0.00 C ATOM 1252 CD ARG B 82 -11.273 -5.783 -1.811 1.00 0.00 C ATOM 1253 NE ARG B 82 -12.127 -4.757 -1.205 1.00 0.00 N ATOM 1254 CZ ARG B 82 -13.404 -4.941 -0.883 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -13.973 -6.126 -1.066 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -14.113 -3.940 -0.381 1.00 0.00 N ATOM 0 H ARG B 82 -8.901 -6.592 2.044 1.00 0.00 H new ATOM 0 HA ARG B 82 -9.036 -7.873 -0.470 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.307 -5.849 0.461 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -8.844 -4.913 0.230 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -9.589 -4.460 -1.828 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -9.202 -6.117 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -11.469 -5.833 -2.882 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.525 -6.758 -1.395 1.00 0.00 H new ATOM 0 HE ARG B 82 -11.715 -3.843 -1.018 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -13.431 -6.898 -1.454 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -14.953 -6.265 -0.818 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -13.679 -3.027 -0.241 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -15.092 -4.082 -0.134 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.205 -6.504 0.295 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.846 -6.235 -0.160 1.00 0.00 C ATOM 1272 C LEU B 83 -4.063 -7.524 -0.315 1.00 0.00 C ATOM 1273 O LEU B 83 -3.273 -7.668 -1.249 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.113 -5.298 0.802 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.810 -3.913 0.235 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.211 -3.001 1.289 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.884 -4.016 -0.972 1.00 0.00 C ATOM 0 H LEU B 83 -6.344 -6.391 1.299 1.00 0.00 H new ATOM 0 HA LEU B 83 -4.920 -5.746 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.714 -5.183 1.704 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -3.175 -5.767 1.101 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.754 -3.474 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -3.008 -2.024 0.851 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.913 -2.890 2.115 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.281 -3.434 1.659 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.681 -3.018 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -1.947 -4.487 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.361 -4.617 -1.746 1.00 0.00 H new ATOM 1289 N MET B 84 -4.302 -8.467 0.589 1.00 0.00 N ATOM 1290 CA MET B 84 -3.580 -9.732 0.567 1.00 0.00 C ATOM 1291 C MET B 84 -3.811 -10.457 -0.747 1.00 0.00 C ATOM 1292 O MET B 84 -2.907 -11.098 -1.280 1.00 0.00 O ATOM 1293 CB MET B 84 -4.002 -10.622 1.732 1.00 0.00 C ATOM 1294 CG MET B 84 -3.721 -10.010 3.085 1.00 0.00 C ATOM 1295 SD MET B 84 -4.006 -11.164 4.434 1.00 0.00 S ATOM 1296 CE MET B 84 -3.726 -10.090 5.835 1.00 0.00 C ATOM 0 H MET B 84 -4.985 -8.380 1.341 1.00 0.00 H new ATOM 0 HA MET B 84 -2.517 -9.511 0.667 1.00 0.00 H new ATOM 0 HB2 MET B 84 -5.068 -10.833 1.651 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.481 -11.577 1.658 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.687 -9.666 3.117 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.353 -9.133 3.222 1.00 0.00 H new ATOM 0 HE1 MET B 84 -4.177 -10.528 6.725 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.654 -9.970 5.993 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.176 -9.116 5.642 1.00 0.00 H new ATOM 1306 N GLN B 85 -5.018 -10.336 -1.274 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.348 -10.966 -2.539 1.00 0.00 C ATOM 1308 C GLN B 85 -4.645 -10.264 -3.691 1.00 0.00 C ATOM 1309 O GLN B 85 -4.118 -10.913 -4.591 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.858 -10.942 -2.779 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.667 -11.684 -1.731 1.00 0.00 C ATOM 1312 CD GLN B 85 -7.235 -13.125 -1.569 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -6.389 -13.443 -0.734 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -7.799 -14.009 -2.376 1.00 0.00 N ATOM 0 H GLN B 85 -5.781 -9.810 -0.848 1.00 0.00 H new ATOM 0 HA GLN B 85 -5.010 -12.001 -2.491 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.193 -9.905 -2.813 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -7.066 -11.376 -3.757 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -7.571 -11.171 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.722 -11.654 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -8.497 -13.707 -3.056 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -7.536 -14.993 -2.318 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.598 -8.937 -3.632 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.157 -8.142 -4.773 1.00 0.00 C ATOM 1325 C HIS B 86 -2.644 -8.218 -4.984 1.00 0.00 C ATOM 1326 O HIS B 86 -2.169 -8.081 -6.112 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.604 -6.687 -4.630 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.613 -5.948 -5.932 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.300 -6.397 -7.039 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.022 -4.790 -6.305 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.134 -5.548 -8.033 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.363 -4.563 -7.617 1.00 0.00 N ATOM 0 H HIS B 86 -4.858 -8.391 -2.810 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.630 -8.570 -5.657 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.604 -6.661 -4.196 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -3.941 -6.176 -3.933 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.398 -4.161 -5.687 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -5.558 -5.643 -9.022 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -4.068 -3.763 -8.177 1.00 0.00 H new ATOM 1341 N LEU B 87 -1.877 -8.424 -3.919 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.438 -8.626 -4.078 1.00 0.00 C ATOM 1343 C LEU B 87 -0.153 -10.071 -4.485 1.00 0.00 C ATOM 1344 O LEU B 87 0.712 -10.339 -5.327 1.00 0.00 O ATOM 1345 CB LEU B 87 0.350 -8.286 -2.803 1.00 0.00 C ATOM 1346 CG LEU B 87 0.482 -6.796 -2.437 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.150 -5.883 -3.614 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.378 -6.458 -1.231 1.00 0.00 C ATOM 0 H LEU B 87 -2.215 -8.456 -2.957 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.106 -7.943 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.123 -8.799 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.353 -8.700 -2.905 1.00 0.00 H new ATOM 0 HG LEU B 87 1.526 -6.620 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.257 -4.842 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU B 87 0.831 -6.091 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -0.876 -6.063 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.269 -5.400 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.422 -6.673 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.061 -7.058 -0.378 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.907 -10.993 -3.901 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.708 -12.420 -4.140 1.00 0.00 C ATOM 1362 C ALA B 88 -1.085 -12.811 -5.565 1.00 0.00 C ATOM 1363 O ALA B 88 -0.482 -13.708 -6.152 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.514 -13.238 -3.145 1.00 0.00 C ATOM 0 H ALA B 88 -1.666 -10.778 -3.255 1.00 0.00 H new ATOM 0 HA ALA B 88 0.353 -12.632 -4.005 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.356 -14.300 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.192 -12.999 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.573 -13.003 -3.254 1.00 0.00 H new ATOM 1370 N GLU B 89 -2.069 -12.120 -6.126 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.561 -12.440 -7.461 1.00 0.00 C ATOM 1372 C GLU B 89 -1.588 -11.991 -8.549 1.00 0.00 C ATOM 1373 O GLU B 89 -1.851 -12.171 -9.736 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.921 -11.790 -7.692 1.00 0.00 C ATOM 1375 CG GLU B 89 -3.881 -10.268 -7.697 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.192 -9.649 -8.123 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.576 -9.789 -9.305 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -5.860 -9.040 -7.269 1.00 0.00 O ATOM 0 H GLU B 89 -2.542 -11.335 -5.678 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.656 -13.524 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -4.322 -12.137 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -4.609 -12.124 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -3.624 -9.913 -6.699 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -3.091 -9.932 -8.368 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.471 -11.398 -8.153 1.00 0.00 N ATOM 1386 CA HIS B 90 0.509 -10.936 -9.128 1.00 0.00 C ATOM 1387 C HIS B 90 1.880 -11.564 -8.908 1.00 0.00 C ATOM 1388 O HIS B 90 2.366 -12.307 -9.760 1.00 0.00 O ATOM 1389 CB HIS B 90 0.616 -9.412 -9.130 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.526 -8.735 -9.832 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -0.619 -8.653 -11.202 1.00 0.00 N ATOM 1392 CD2 HIS B 90 -1.633 -8.125 -9.349 1.00 0.00 C ATOM 1393 CE1 HIS B 90 -1.729 -8.024 -11.530 1.00 0.00 C ATOM 1394 NE2 HIS B 90 -2.370 -7.693 -10.426 1.00 0.00 N ATOM 0 H HIS B 90 -0.222 -11.227 -7.179 1.00 0.00 H new ATOM 0 HA HIS B 90 0.151 -11.259 -10.106 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.662 -9.057 -8.100 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.551 -9.121 -9.609 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -1.891 -8.000 -8.308 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -2.059 -7.814 -12.537 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -3.262 -7.200 -10.379 1.00 0.00 H new ATOM 1403 N GLY B 91 2.501 -11.270 -7.770 1.00 0.00 N ATOM 1404 CA GLY B 91 3.819 -11.816 -7.488 1.00 0.00 C ATOM 1405 C GLY B 91 4.669 -10.896 -6.636 1.00 0.00 C ATOM 1406 O GLY B 91 5.891 -10.868 -6.767 1.00 0.00 O ATOM 0 H GLY B 91 2.119 -10.667 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.709 -12.774 -6.980 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.335 -12.011 -8.428 1.00 0.00 H new ATOM 1410 N ILE B 92 4.016 -10.151 -5.759 1.00 0.00 N ATOM 1411 CA ILE B 92 4.689 -9.234 -4.852 1.00 0.00 C ATOM 1412 C ILE B 92 5.686 -9.963 -3.951 1.00 0.00 C ATOM 1413 O ILE B 92 5.450 -11.101 -3.534 1.00 0.00 O ATOM 1414 CB ILE B 92 3.641 -8.483 -4.000 1.00 0.00 C ATOM 1415 CG1 ILE B 92 3.119 -7.280 -4.782 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.192 -8.056 -2.646 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.275 -7.647 -5.978 1.00 0.00 C ATOM 0 H ILE B 92 3.001 -10.165 -5.655 1.00 0.00 H new ATOM 0 HA ILE B 92 5.253 -8.517 -5.449 1.00 0.00 H new ATOM 0 HB ILE B 92 2.819 -9.169 -3.795 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.530 -6.652 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE B 92 3.966 -6.682 -5.117 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.417 -7.533 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.510 -8.937 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE B 92 5.044 -7.392 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE B 92 1.942 -6.739 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.865 -8.249 -6.669 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.407 -8.219 -5.649 1.00 0.00 H new ATOM 1429 N GLN B 93 6.799 -9.300 -3.666 1.00 0.00 N ATOM 1430 CA GLN B 93 7.836 -9.876 -2.829 1.00 0.00 C ATOM 1431 C GLN B 93 7.485 -9.687 -1.354 1.00 0.00 C ATOM 1432 O GLN B 93 7.202 -8.572 -0.911 1.00 0.00 O ATOM 1433 CB GLN B 93 9.187 -9.233 -3.148 1.00 0.00 C ATOM 1434 CG GLN B 93 10.367 -10.163 -2.918 1.00 0.00 C ATOM 1435 CD GLN B 93 10.285 -11.422 -3.762 1.00 0.00 C ATOM 1436 OE1 GLN B 93 10.764 -12.484 -3.366 1.00 0.00 O ATOM 1437 NE2 GLN B 93 9.671 -11.316 -4.934 1.00 0.00 N ATOM 0 H GLN B 93 7.005 -8.360 -4.005 1.00 0.00 H new ATOM 0 HA GLN B 93 7.905 -10.944 -3.034 1.00 0.00 H new ATOM 0 HB2 GLN B 93 9.189 -8.906 -4.188 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.311 -8.342 -2.533 1.00 0.00 H new ATOM 0 HG2 GLN B 93 11.292 -9.635 -3.147 1.00 0.00 H new ATOM 0 HG3 GLN B 93 10.410 -10.438 -1.864 1.00 0.00 H new ATOM 0 HE21 GLN B 93 9.286 -10.419 -5.229 1.00 0.00 H new ATOM 0 HE22 GLN B 93 9.584 -12.132 -5.540 1.00 0.00 H new ATOM 1446 N PRO B 94 7.478 -10.792 -0.590 1.00 0.00 N ATOM 1447 CA PRO B 94 7.122 -10.791 0.838 1.00 0.00 C ATOM 1448 C PRO B 94 8.046 -9.921 1.686 1.00 0.00 C ATOM 1449 O PRO B 94 9.172 -9.612 1.288 1.00 0.00 O ATOM 1450 CB PRO B 94 7.272 -12.257 1.255 1.00 0.00 C ATOM 1451 CG PRO B 94 7.242 -13.036 -0.013 1.00 0.00 C ATOM 1452 CD PRO B 94 7.818 -12.139 -1.070 1.00 0.00 C ATOM 0 HA PRO B 94 6.123 -10.381 0.989 1.00 0.00 H new ATOM 0 HB2 PRO B 94 8.206 -12.418 1.793 1.00 0.00 H new ATOM 0 HB3 PRO B 94 6.464 -12.560 1.921 1.00 0.00 H new ATOM 0 HG2 PRO B 94 7.825 -13.953 0.079 1.00 0.00 H new ATOM 0 HG3 PRO B 94 6.223 -13.330 -0.265 1.00 0.00 H new ATOM 0 HD2 PRO B 94 8.896 -12.272 -1.167 1.00 0.00 H new ATOM 0 HD3 PRO B 94 7.383 -12.339 -2.049 1.00 0.00 H new ATOM 1460 N ALA B 95 7.557 -9.536 2.864 1.00 0.00 N ATOM 1461 CA ALA B 95 8.323 -8.720 3.796 1.00 0.00 C ATOM 1462 C ALA B 95 9.434 -9.535 4.429 1.00 0.00 C ATOM 1463 O ALA B 95 9.290 -10.050 5.539 1.00 0.00 O ATOM 1464 CB ALA B 95 7.414 -8.146 4.870 1.00 0.00 C ATOM 0 H ALA B 95 6.624 -9.781 3.195 1.00 0.00 H new ATOM 0 HA ALA B 95 8.771 -7.896 3.241 1.00 0.00 H new ATOM 0 HB1 ALA B 95 8.002 -7.539 5.558 1.00 0.00 H new ATOM 0 HB2 ALA B 95 6.647 -7.527 4.405 1.00 0.00 H new ATOM 0 HB3 ALA B 95 6.940 -8.960 5.419 1.00 0.00 H new ATOM 1470 N ARG B 96 10.534 -9.648 3.712 1.00 0.00 N ATOM 1471 CA ARG B 96 11.650 -10.470 4.149 1.00 0.00 C ATOM 1472 C ARG B 96 12.951 -10.004 3.494 1.00 0.00 C ATOM 1473 O ARG B 96 13.736 -9.279 4.112 1.00 0.00 O ATOM 1474 CB ARG B 96 11.360 -11.944 3.841 1.00 0.00 C ATOM 1475 CG ARG B 96 12.511 -12.873 4.158 1.00 0.00 C ATOM 1476 CD ARG B 96 12.876 -12.878 5.634 1.00 0.00 C ATOM 1477 NE ARG B 96 14.203 -13.453 5.831 1.00 0.00 N ATOM 1478 CZ ARG B 96 14.695 -13.844 7.003 1.00 0.00 C ATOM 1479 NH1 ARG B 96 13.961 -13.764 8.103 1.00 0.00 N ATOM 1480 NH2 ARG B 96 15.928 -14.329 7.067 1.00 0.00 N ATOM 0 H ARG B 96 10.681 -9.179 2.818 1.00 0.00 H new ATOM 0 HA ARG B 96 11.773 -10.365 5.227 1.00 0.00 H new ATOM 0 HB2 ARG B 96 10.485 -12.259 4.409 1.00 0.00 H new ATOM 0 HB3 ARG B 96 11.107 -12.042 2.785 1.00 0.00 H new ATOM 0 HG2 ARG B 96 12.250 -13.885 3.850 1.00 0.00 H new ATOM 0 HG3 ARG B 96 13.382 -12.577 3.574 1.00 0.00 H new ATOM 0 HD2 ARG B 96 12.853 -11.860 6.024 1.00 0.00 H new ATOM 0 HD3 ARG B 96 12.138 -13.451 6.195 1.00 0.00 H new ATOM 0 HE ARG B 96 14.797 -13.563 5.009 1.00 0.00 H new ATOM 0 HH11 ARG B 96 13.009 -13.400 8.056 1.00 0.00 H new ATOM 0 HH12 ARG B 96 14.348 -14.067 8.997 1.00 0.00 H new ATOM 0 HH21 ARG B 96 16.493 -14.400 6.221 1.00 0.00 H new ATOM 0 HH22 ARG B 96 16.312 -14.631 7.963 1.00 0.00 H new ATOM 1494 N ASN B 97 13.158 -10.404 2.244 1.00 0.00 N ATOM 1495 CA ASN B 97 14.334 -10.003 1.474 1.00 0.00 C ATOM 1496 C ASN B 97 14.197 -10.504 0.045 1.00 0.00 C ATOM 1497 O ASN B 97 13.130 -10.993 -0.330 1.00 0.00 O ATOM 1498 CB ASN B 97 15.645 -10.513 2.107 1.00 0.00 C ATOM 1499 CG ASN B 97 15.726 -12.027 2.238 1.00 0.00 C ATOM 1500 OD1 ASN B 97 15.292 -12.597 3.236 1.00 0.00 O ATOM 1501 ND2 ASN B 97 16.321 -12.685 1.257 1.00 0.00 N ATOM 0 H ASN B 97 12.518 -11.014 1.735 1.00 0.00 H new ATOM 0 HA ASN B 97 14.386 -8.914 1.477 1.00 0.00 H new ATOM 0 HB2 ASN B 97 16.485 -10.166 1.505 1.00 0.00 H new ATOM 0 HB3 ASN B 97 15.756 -10.067 3.096 1.00 0.00 H new ATOM 0 HD21 ASN B 97 16.431 -13.697 1.315 1.00 0.00 H new ATOM 0 HD22 ASN B 97 16.670 -12.180 0.442 1.00 0.00 H new ATOM 1508 N MET B 98 15.265 -10.369 -0.744 1.00 0.00 N ATOM 1509 CA MET B 98 15.254 -10.759 -2.157 1.00 0.00 C ATOM 1510 C MET B 98 14.294 -9.861 -2.946 1.00 0.00 C ATOM 1511 O MET B 98 13.691 -10.269 -3.943 1.00 0.00 O ATOM 1512 CB MET B 98 14.887 -12.245 -2.304 1.00 0.00 C ATOM 1513 CG MET B 98 15.130 -12.814 -3.693 1.00 0.00 C ATOM 1514 SD MET B 98 14.721 -14.567 -3.807 1.00 0.00 S ATOM 1515 CE MET B 98 14.994 -14.859 -5.553 1.00 0.00 C ATOM 0 H MET B 98 16.156 -9.989 -0.425 1.00 0.00 H new ATOM 0 HA MET B 98 16.254 -10.625 -2.570 1.00 0.00 H new ATOM 0 HB2 MET B 98 15.463 -12.823 -1.581 1.00 0.00 H new ATOM 0 HB3 MET B 98 13.835 -12.374 -2.050 1.00 0.00 H new ATOM 0 HG2 MET B 98 14.535 -12.258 -4.418 1.00 0.00 H new ATOM 0 HG3 MET B 98 16.177 -12.671 -3.962 1.00 0.00 H new ATOM 0 HE1 MET B 98 14.783 -15.903 -5.785 1.00 0.00 H new ATOM 0 HE2 MET B 98 14.334 -14.217 -6.137 1.00 0.00 H new ATOM 0 HE3 MET B 98 16.031 -14.635 -5.802 1.00 0.00 H new ATOM 1525 N ALA B 99 14.169 -8.624 -2.490 1.00 0.00 N ATOM 1526 CA ALA B 99 13.311 -7.652 -3.145 1.00 0.00 C ATOM 1527 C ALA B 99 14.115 -6.828 -4.144 1.00 0.00 C ATOM 1528 O ALA B 99 15.338 -6.966 -4.217 1.00 0.00 O ATOM 1529 CB ALA B 99 12.648 -6.756 -2.111 1.00 0.00 C ATOM 0 H ALA B 99 14.654 -8.270 -1.665 1.00 0.00 H new ATOM 0 HA ALA B 99 12.529 -8.180 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA B 99 12.008 -6.032 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA B 99 12.047 -7.364 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA B 99 13.414 -6.229 -1.542 1.00 0.00 H new ATOM 1535 N GLU B 100 13.446 -5.978 -4.908 1.00 0.00 N ATOM 1536 CA GLU B 100 14.138 -5.179 -5.911 1.00 0.00 C ATOM 1537 C GLU B 100 14.944 -4.067 -5.255 1.00 0.00 C ATOM 1538 O GLU B 100 16.157 -3.957 -5.459 1.00 0.00 O ATOM 1539 CB GLU B 100 13.158 -4.571 -6.915 1.00 0.00 C ATOM 1540 CG GLU B 100 13.850 -3.761 -8.001 1.00 0.00 C ATOM 1541 CD GLU B 100 12.879 -3.092 -8.947 1.00 0.00 C ATOM 1542 OE1 GLU B 100 12.353 -3.776 -9.847 1.00 0.00 O ATOM 1543 OE2 GLU B 100 12.634 -1.878 -8.789 1.00 0.00 O ATOM 0 H GLU B 100 12.439 -5.824 -4.856 1.00 0.00 H new ATOM 0 HA GLU B 100 14.814 -5.847 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU B 100 12.578 -5.369 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU B 100 12.453 -3.931 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU B 100 14.478 -3.001 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU B 100 14.511 -4.415 -8.570 1.00 0.00 H new ATOM 1550 N HIS B 101 14.265 -3.251 -4.461 1.00 0.00 N ATOM 1551 CA HIS B 101 14.886 -2.083 -3.850 1.00 0.00 C ATOM 1552 C HIS B 101 15.899 -2.504 -2.785 1.00 0.00 C ATOM 1553 O HIS B 101 15.694 -3.491 -2.076 1.00 0.00 O ATOM 1554 CB HIS B 101 13.818 -1.160 -3.248 1.00 0.00 C ATOM 1555 CG HIS B 101 13.229 -1.639 -1.953 1.00 0.00 C ATOM 1556 ND1 HIS B 101 12.387 -2.727 -1.851 1.00 0.00 N ATOM 1557 CD2 HIS B 101 13.355 -1.149 -0.699 1.00 0.00 C ATOM 1558 CE1 HIS B 101 12.024 -2.878 -0.592 1.00 0.00 C ATOM 1559 NE2 HIS B 101 12.596 -1.933 0.132 1.00 0.00 N ATOM 0 H HIS B 101 13.281 -3.377 -4.224 1.00 0.00 H new ATOM 0 HA HIS B 101 15.418 -1.532 -4.626 1.00 0.00 H new ATOM 0 HB2 HIS B 101 14.257 -0.175 -3.089 1.00 0.00 H new ATOM 0 HB3 HIS B 101 13.014 -1.037 -3.973 1.00 0.00 H new ATOM 0 HD1 HIS B 101 12.092 -3.321 -2.626 1.00 0.00 H new ATOM 0 HD2 HIS B 101 13.946 -0.295 -0.405 1.00 0.00 H new ATOM 0 HE1 HIS B 101 11.367 -3.648 -0.215 1.00 0.00 H new ATOM 1568 N ILE B 102 16.977 -1.746 -2.675 1.00 0.00 N ATOM 1569 CA ILE B 102 18.054 -2.076 -1.755 1.00 0.00 C ATOM 1570 C ILE B 102 18.163 -1.043 -0.638 1.00 0.00 C ATOM 1571 O ILE B 102 17.781 0.118 -0.811 1.00 0.00 O ATOM 1572 CB ILE B 102 19.410 -2.170 -2.488 1.00 0.00 C ATOM 1573 CG1 ILE B 102 19.738 -0.847 -3.190 1.00 0.00 C ATOM 1574 CG2 ILE B 102 19.392 -3.324 -3.483 1.00 0.00 C ATOM 1575 CD1 ILE B 102 21.117 -0.814 -3.813 1.00 0.00 C ATOM 0 H ILE B 102 17.130 -0.894 -3.214 1.00 0.00 H new ATOM 0 HA ILE B 102 17.813 -3.047 -1.323 1.00 0.00 H new ATOM 0 HB ILE B 102 20.191 -2.362 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE B 102 18.994 -0.663 -3.965 1.00 0.00 H new ATOM 0 HG13 ILE B 102 19.655 -0.033 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE B 102 20.354 -3.380 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE B 102 19.208 -4.259 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE B 102 18.602 -3.161 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE B 102 21.277 0.152 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE B 102 21.870 -0.966 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE B 102 21.199 -1.605 -4.558 1.00 0.00 H new ATOM 1587 N PRO B 103 18.660 -1.469 0.532 1.00 0.00 N ATOM 1588 CA PRO B 103 18.913 -0.580 1.667 1.00 0.00 C ATOM 1589 C PRO B 103 20.131 0.309 1.426 1.00 0.00 C ATOM 1590 O PRO B 103 21.176 -0.169 0.972 1.00 0.00 O ATOM 1591 CB PRO B 103 19.181 -1.540 2.840 1.00 0.00 C ATOM 1592 CG PRO B 103 18.842 -2.904 2.341 1.00 0.00 C ATOM 1593 CD PRO B 103 19.009 -2.857 0.852 1.00 0.00 C ATOM 0 HA PRO B 103 18.078 0.098 1.846 1.00 0.00 H new ATOM 0 HB2 PRO B 103 20.223 -1.488 3.156 1.00 0.00 H new ATOM 0 HB3 PRO B 103 18.572 -1.279 3.705 1.00 0.00 H new ATOM 0 HG2 PRO B 103 19.498 -3.654 2.783 1.00 0.00 H new ATOM 0 HG3 PRO B 103 17.821 -3.175 2.610 1.00 0.00 H new ATOM 0 HD2 PRO B 103 20.029 -3.098 0.551 1.00 0.00 H new ATOM 0 HD3 PRO B 103 18.352 -3.566 0.348 1.00 0.00 H new ATOM 1601 N PRO B 104 20.002 1.615 1.718 1.00 0.00 N ATOM 1602 CA PRO B 104 21.092 2.581 1.541 1.00 0.00 C ATOM 1603 C PRO B 104 22.304 2.246 2.402 1.00 0.00 C ATOM 1604 O PRO B 104 22.174 1.959 3.594 1.00 0.00 O ATOM 1605 CB PRO B 104 20.480 3.916 1.984 1.00 0.00 C ATOM 1606 CG PRO B 104 19.004 3.708 1.935 1.00 0.00 C ATOM 1607 CD PRO B 104 18.784 2.256 2.239 1.00 0.00 C ATOM 0 HA PRO B 104 21.457 2.589 0.514 1.00 0.00 H new ATOM 0 HB2 PRO B 104 20.806 4.184 2.989 1.00 0.00 H new ATOM 0 HB3 PRO B 104 20.785 4.727 1.323 1.00 0.00 H new ATOM 0 HG2 PRO B 104 18.496 4.341 2.663 1.00 0.00 H new ATOM 0 HG3 PRO B 104 18.605 3.967 0.954 1.00 0.00 H new ATOM 0 HD2 PRO B 104 18.663 2.082 3.308 1.00 0.00 H new ATOM 0 HD3 PRO B 104 17.887 1.874 1.751 1.00 0.00 H new ATOM 1615 N ALA B 105 23.478 2.285 1.792 1.00 0.00 N ATOM 1616 CA ALA B 105 24.713 1.965 2.488 1.00 0.00 C ATOM 1617 C ALA B 105 25.517 3.231 2.773 1.00 0.00 C ATOM 1618 O ALA B 105 25.752 4.041 1.871 1.00 0.00 O ATOM 1619 CB ALA B 105 25.541 0.982 1.669 1.00 0.00 C ATOM 0 H ALA B 105 23.601 2.537 0.811 1.00 0.00 H new ATOM 0 HA ALA B 105 24.460 1.500 3.441 1.00 0.00 H new ATOM 0 HB1 ALA B 105 26.463 0.751 2.202 1.00 0.00 H new ATOM 0 HB2 ALA B 105 24.971 0.066 1.516 1.00 0.00 H new ATOM 0 HB3 ALA B 105 25.782 1.426 0.703 1.00 0.00 H new ATOM 1625 N PRO B 106 25.927 3.425 4.036 1.00 0.00 N ATOM 1626 CA PRO B 106 26.746 4.568 4.446 1.00 0.00 C ATOM 1627 C PRO B 106 28.192 4.432 3.984 1.00 0.00 C ATOM 1628 O PRO B 106 28.819 3.385 4.165 1.00 0.00 O ATOM 1629 CB PRO B 106 26.673 4.547 5.982 1.00 0.00 C ATOM 1630 CG PRO B 106 25.645 3.517 6.326 1.00 0.00 C ATOM 1631 CD PRO B 106 25.619 2.555 5.176 1.00 0.00 C ATOM 0 HA PRO B 106 26.385 5.499 4.008 1.00 0.00 H new ATOM 0 HB2 PRO B 106 27.640 4.294 6.416 1.00 0.00 H new ATOM 0 HB3 PRO B 106 26.393 5.525 6.374 1.00 0.00 H new ATOM 0 HG2 PRO B 106 25.900 3.007 7.255 1.00 0.00 H new ATOM 0 HG3 PRO B 106 24.667 3.976 6.472 1.00 0.00 H new ATOM 0 HD2 PRO B 106 26.357 1.761 5.293 1.00 0.00 H new ATOM 0 HD3 PRO B 106 24.647 2.074 5.070 1.00 0.00 H new ATOM 1639 N ASN B 107 28.716 5.493 3.388 1.00 0.00 N ATOM 1640 CA ASN B 107 30.079 5.489 2.871 1.00 0.00 C ATOM 1641 C ASN B 107 30.982 6.352 3.749 1.00 0.00 C ATOM 1642 O ASN B 107 30.517 7.305 4.378 1.00 0.00 O ATOM 1643 CB ASN B 107 30.095 5.995 1.423 1.00 0.00 C ATOM 1644 CG ASN B 107 31.451 5.837 0.757 1.00 0.00 C ATOM 1645 OD1 ASN B 107 31.768 4.778 0.221 1.00 0.00 O ATOM 1646 ND2 ASN B 107 32.247 6.894 0.758 1.00 0.00 N ATOM 0 H ASN B 107 28.217 6.372 3.250 1.00 0.00 H new ATOM 0 HA ASN B 107 30.458 4.467 2.887 1.00 0.00 H new ATOM 0 HB2 ASN B 107 29.347 5.452 0.845 1.00 0.00 H new ATOM 0 HB3 ASN B 107 29.809 7.047 1.408 1.00 0.00 H new ATOM 0 HD21 ASN B 107 33.159 6.846 0.303 1.00 0.00 H new ATOM 0 HD22 ASN B 107 31.949 7.756 1.214 1.00 0.00 H new ATOM 1653 N TRP B 108 32.263 6.010 3.804 1.00 0.00 N ATOM 1654 CA TRP B 108 33.221 6.747 4.618 1.00 0.00 C ATOM 1655 C TRP B 108 33.732 7.966 3.859 1.00 0.00 C ATOM 1656 O TRP B 108 34.691 7.823 3.072 1.00 0.00 O ATOM 1657 CB TRP B 108 34.395 5.843 5.010 1.00 0.00 C ATOM 1658 CG TRP B 108 33.978 4.585 5.708 1.00 0.00 C ATOM 1659 CD1 TRP B 108 33.824 4.402 7.052 1.00 0.00 C ATOM 1660 CD2 TRP B 108 33.662 3.330 5.094 1.00 0.00 C ATOM 1661 NE1 TRP B 108 33.434 3.112 7.310 1.00 0.00 N ATOM 1662 CE2 TRP B 108 33.323 2.436 6.124 1.00 0.00 C ATOM 1663 CE3 TRP B 108 33.627 2.876 3.771 1.00 0.00 C ATOM 1664 CZ2 TRP B 108 32.959 1.118 5.878 1.00 0.00 C ATOM 1665 CZ3 TRP B 108 33.265 1.566 3.526 1.00 0.00 C ATOM 1666 CH2 TRP B 108 32.931 0.701 4.577 1.00 0.00 C ATOM 1667 OXT TRP B 108 33.163 9.063 4.034 1.00 0.00 O ATOM 0 H TRP B 108 32.664 5.224 3.292 1.00 0.00 H new ATOM 0 HA TRP B 108 32.718 7.082 5.525 1.00 0.00 H new ATOM 0 HB2 TRP B 108 34.956 5.582 4.113 1.00 0.00 H new ATOM 0 HB3 TRP B 108 35.071 6.401 5.658 1.00 0.00 H new ATOM 0 HD1 TRP B 108 33.986 5.162 7.803 1.00 0.00 H new ATOM 0 HE1 TRP B 108 33.256 2.720 8.235 1.00 0.00 H new ATOM 0 HE3 TRP B 108 33.879 3.538 2.956 1.00 0.00 H new ATOM 0 HZ2 TRP B 108 32.707 0.447 6.686 1.00 0.00 H new ATOM 0 HZ3 TRP B 108 33.239 1.203 2.509 1.00 0.00 H new ATOM 0 HH2 TRP B 108 32.646 -0.316 4.354 1.00 0.00 H new TER 1678 TRP B 108