USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 730 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 75 TYR OH : rot -163:sc= 0.123 USER MOD Set 1.2: A 94 SER OG : rot 109:sc= 0.769 USER MOD Set 2.1: A 41 TYR OH : rot -6:sc= 1.29 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.93 K(o=3.5,f=-6.4!) USER MOD Set 2.3: A 85 SER OG : rot -57:sc= 0.26 USER MOD Set 3.1: A 34 SER OG : rot 171:sc= 0.949 USER MOD Set 3.2: A 36 TYR OH : rot -39:sc= 0.987 USER MOD Single : A 1 THR N :NH3+ 175:sc= -0.0866 (180deg=-0.155) USER MOD Single : A 1 THR OG1 : rot -46:sc= 0.0522 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -150:sc= -0.115 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0793 K(o=-0.079,f=-2.8!) USER MOD Single : A 43 SER OG : rot 170:sc= -0.34 USER MOD Single : A 45 SER OG : rot 80:sc= 1.3 USER MOD Single : A 46 SER OG : rot 180:sc= 0.273 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.573 K(o=-0.57,f=-1.4) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0237 USER MOD Single : A 68 SER OG : rot -64:sc= 0.987 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 76 SER OG : rot 180:sc=-0.00421 USER MOD Single : A 77 SER OG : rot 180:sc= 0.307 USER MOD Single : A 81 ASN : amide:sc= 0.521 K(o=0.52,f=-0.046) USER MOD Single : A 84 GLN : amide:sc= 0.395 X(o=0.4,f=0) USER MOD Single : A 86 GLN : amide:sc= 0.899 K(o=0.9,f=-0.012) USER MOD Single : A 87 MET CE :methyl 166:sc= -0.0291 (180deg=-0.266) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 69:sc= 0.561 USER MOD Single : A 98 THR OG1 : rot -139:sc= 0.551 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -15.421 -4.086 0.571 1.00 0.00 N ATOM 2 CA THR A 1 -16.524 -4.944 0.113 1.00 0.00 C ATOM 3 C THR A 1 -16.251 -5.535 -1.286 1.00 0.00 C ATOM 4 O THR A 1 -17.184 -5.914 -2.003 1.00 0.00 O ATOM 5 CB THR A 1 -17.833 -4.120 0.191 1.00 0.00 C ATOM 6 OG1 THR A 1 -18.967 -4.963 0.193 1.00 0.00 O ATOM 7 CG2 THR A 1 -17.971 -3.069 -0.927 1.00 0.00 C ATOM 0 H1 THR A 1 -15.679 -3.642 1.475 1.00 0.00 H new ATOM 0 H2 THR A 1 -14.564 -4.661 0.700 1.00 0.00 H new ATOM 0 H3 THR A 1 -15.238 -3.347 -0.138 1.00 0.00 H new ATOM 0 HA THR A 1 -16.621 -5.815 0.761 1.00 0.00 H new ATOM 0 HB THR A 1 -17.776 -3.576 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 1 -18.871 -5.642 -0.507 1.00 0.00 H new ATOM 0 HG21 THR A 1 -18.912 -2.532 -0.807 1.00 0.00 H new ATOM 0 HG22 THR A 1 -17.141 -2.365 -0.869 1.00 0.00 H new ATOM 0 HG23 THR A 1 -17.958 -3.566 -1.897 1.00 0.00 H new ATOM 16 N ALA A 2 -14.977 -5.629 -1.675 1.00 0.00 N ATOM 17 CA ALA A 2 -14.484 -6.130 -2.943 1.00 0.00 C ATOM 18 C ALA A 2 -12.960 -6.025 -2.885 1.00 0.00 C ATOM 19 O ALA A 2 -12.440 -4.921 -3.084 1.00 0.00 O ATOM 20 CB ALA A 2 -14.991 -5.265 -4.107 1.00 0.00 C ATOM 0 H ALA A 2 -14.216 -5.334 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.826 -7.152 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.608 -5.660 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.081 -5.280 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.644 -4.240 -3.976 1.00 0.00 H new ATOM 26 N PRO A 3 -12.222 -7.102 -2.586 1.00 0.00 N ATOM 27 CA PRO A 3 -10.779 -7.026 -2.667 1.00 0.00 C ATOM 28 C PRO A 3 -10.386 -6.938 -4.145 1.00 0.00 C ATOM 29 O PRO A 3 -11.128 -7.399 -5.023 1.00 0.00 O ATOM 30 CB PRO A 3 -10.256 -8.290 -1.992 1.00 0.00 C ATOM 31 CG PRO A 3 -11.397 -9.292 -2.174 1.00 0.00 C ATOM 32 CD PRO A 3 -12.659 -8.425 -2.167 1.00 0.00 C ATOM 0 HA PRO A 3 -10.357 -6.152 -2.172 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.335 -8.642 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.036 -8.120 -0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.298 -9.844 -3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.414 -10.027 -1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.413 -8.823 -2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.109 -8.394 -1.175 1.00 0.00 H new ATOM 40 N ILE A 4 -9.206 -6.403 -4.439 1.00 0.00 N ATOM 41 CA ILE A 4 -8.698 -6.271 -5.797 1.00 0.00 C ATOM 42 C ILE A 4 -7.463 -7.155 -5.902 1.00 0.00 C ATOM 43 O ILE A 4 -6.583 -7.099 -5.040 1.00 0.00 O ATOM 44 CB ILE A 4 -8.386 -4.799 -6.168 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.500 -3.787 -5.814 1.00 0.00 C ATOM 46 CG2 ILE A 4 -8.144 -4.706 -7.685 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.428 -3.273 -4.374 1.00 0.00 C ATOM 0 H ILE A 4 -8.567 -6.044 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.457 -6.590 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.511 -4.530 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.439 -2.939 -6.497 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.470 -4.257 -5.975 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.924 -3.673 -7.956 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.301 -5.341 -7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.036 -5.038 -8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.240 -2.568 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.520 -4.111 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.473 -2.773 -4.213 1.00 0.00 H new ATOM 59 N ALA A 5 -7.410 -7.987 -6.938 1.00 0.00 N ATOM 60 CA ALA A 5 -6.242 -8.785 -7.241 1.00 0.00 C ATOM 61 C ALA A 5 -5.337 -7.850 -8.030 1.00 0.00 C ATOM 62 O ALA A 5 -5.778 -7.291 -9.039 1.00 0.00 O ATOM 63 CB ALA A 5 -6.634 -9.994 -8.102 1.00 0.00 C ATOM 0 H ALA A 5 -8.183 -8.122 -7.590 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.760 -9.175 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.746 -10.586 -8.323 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.354 -10.608 -7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.080 -9.647 -9.034 1.00 0.00 H new ATOM 69 N ILE A 6 -4.130 -7.599 -7.538 1.00 0.00 N ATOM 70 CA ILE A 6 -3.131 -6.837 -8.261 1.00 0.00 C ATOM 71 C ILE A 6 -1.985 -7.815 -8.503 1.00 0.00 C ATOM 72 O ILE A 6 -1.740 -8.674 -7.663 1.00 0.00 O ATOM 73 CB ILE A 6 -2.791 -5.555 -7.464 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.416 -5.678 -5.965 1.00 0.00 C ATOM 75 CG2 ILE A 6 -3.996 -4.603 -7.560 1.00 0.00 C ATOM 76 CD1 ILE A 6 -0.956 -6.049 -5.695 1.00 0.00 C ATOM 0 H ILE A 6 -3.820 -7.922 -6.622 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.450 -6.454 -9.230 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.872 -5.206 -7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.632 -4.730 -5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.058 -6.430 -5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.783 -3.689 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.184 -4.358 -8.605 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.876 -5.087 -7.137 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.789 -6.112 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.735 -7.013 -6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.302 -5.287 -6.120 1.00 0.00 H new ATOM 88 N THR A 7 -1.183 -7.636 -9.552 1.00 0.00 N ATOM 89 CA THR A 7 -0.155 -8.619 -9.916 1.00 0.00 C ATOM 90 C THR A 7 1.220 -8.134 -9.461 1.00 0.00 C ATOM 91 O THR A 7 2.200 -8.126 -10.203 1.00 0.00 O ATOM 92 CB THR A 7 -0.335 -9.092 -11.372 1.00 0.00 C ATOM 93 OG1 THR A 7 0.462 -10.227 -11.669 1.00 0.00 O ATOM 94 CG2 THR A 7 -0.077 -8.008 -12.420 1.00 0.00 C ATOM 0 H THR A 7 -1.223 -6.822 -10.166 1.00 0.00 H new ATOM 0 HA THR A 7 -0.269 -9.554 -9.368 1.00 0.00 H new ATOM 0 HB THR A 7 -1.390 -9.360 -11.434 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.316 -10.494 -12.601 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.225 -8.423 -13.417 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.769 -7.180 -12.265 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.947 -7.647 -12.326 1.00 0.00 H new ATOM 102 N CYS A 8 1.258 -7.667 -8.217 1.00 0.00 N ATOM 103 CA CYS A 8 2.431 -7.247 -7.460 1.00 0.00 C ATOM 104 C CYS A 8 3.394 -6.235 -8.126 1.00 0.00 C ATOM 105 O CYS A 8 4.418 -5.899 -7.541 1.00 0.00 O ATOM 106 CB CYS A 8 3.118 -8.536 -7.001 1.00 0.00 C ATOM 107 SG CYS A 8 2.182 -9.517 -5.781 1.00 0.00 S ATOM 0 H CYS A 8 0.403 -7.565 -7.670 1.00 0.00 H new ATOM 0 HA CYS A 8 2.089 -6.635 -6.625 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.310 -9.159 -7.875 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.087 -8.281 -6.573 1.00 0.00 H new ATOM 112 N PHE A 9 3.018 -5.581 -9.227 1.00 0.00 N ATOM 113 CA PHE A 9 3.794 -4.497 -9.851 1.00 0.00 C ATOM 114 C PHE A 9 2.905 -3.254 -10.006 1.00 0.00 C ATOM 115 O PHE A 9 3.318 -2.190 -10.476 1.00 0.00 O ATOM 116 CB PHE A 9 4.470 -4.941 -11.153 1.00 0.00 C ATOM 117 CG PHE A 9 5.445 -3.900 -11.677 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.669 -3.685 -11.016 1.00 0.00 C ATOM 119 CD2 PHE A 9 5.107 -3.098 -12.783 1.00 0.00 C ATOM 120 CE1 PHE A 9 7.547 -2.683 -11.463 1.00 0.00 C ATOM 121 CE2 PHE A 9 5.990 -2.103 -13.236 1.00 0.00 C ATOM 122 CZ PHE A 9 7.212 -1.894 -12.575 1.00 0.00 C ATOM 0 H PHE A 9 2.151 -5.790 -9.722 1.00 0.00 H new ATOM 0 HA PHE A 9 4.622 -4.227 -9.196 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.999 -5.879 -10.984 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.708 -5.136 -11.908 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.934 -4.292 -10.163 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.163 -3.248 -13.287 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.483 -2.519 -10.949 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.729 -1.499 -14.092 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.891 -1.129 -12.921 1.00 0.00 H new ATOM 132 N THR A 10 1.644 -3.381 -9.612 1.00 0.00 N ATOM 133 CA THR A 10 0.658 -2.331 -9.538 1.00 0.00 C ATOM 134 C THR A 10 1.164 -1.363 -8.452 1.00 0.00 C ATOM 135 O THR A 10 1.582 -1.808 -7.376 1.00 0.00 O ATOM 136 CB THR A 10 -0.676 -3.018 -9.197 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.800 -4.252 -9.901 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.902 -2.155 -9.485 1.00 0.00 C ATOM 0 H THR A 10 1.267 -4.282 -9.318 1.00 0.00 H new ATOM 0 HA THR A 10 0.506 -1.760 -10.454 1.00 0.00 H new ATOM 0 HB THR A 10 -0.649 -3.192 -8.121 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.747 -4.436 -10.074 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.805 -2.705 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.849 -1.239 -8.896 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.929 -1.903 -10.545 1.00 0.00 H new ATOM 146 N ARG A 11 1.217 -0.063 -8.743 1.00 0.00 N ATOM 147 CA ARG A 11 1.698 0.959 -7.810 1.00 0.00 C ATOM 148 C ARG A 11 0.519 1.648 -7.139 1.00 0.00 C ATOM 149 O ARG A 11 -0.619 1.535 -7.603 1.00 0.00 O ATOM 150 CB ARG A 11 2.607 1.955 -8.560 1.00 0.00 C ATOM 151 CG ARG A 11 3.913 1.249 -8.962 1.00 0.00 C ATOM 152 CD ARG A 11 4.990 2.173 -9.529 1.00 0.00 C ATOM 153 NE ARG A 11 4.616 2.876 -10.756 1.00 0.00 N ATOM 154 CZ ARG A 11 5.379 3.788 -11.368 1.00 0.00 C ATOM 155 NH1 ARG A 11 6.574 4.129 -10.893 1.00 0.00 N ATOM 156 NH2 ARG A 11 4.913 4.362 -12.463 1.00 0.00 N ATOM 0 H ARG A 11 0.924 0.316 -9.644 1.00 0.00 H new ATOM 0 HA ARG A 11 2.292 0.496 -7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.097 2.334 -9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.825 2.814 -7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.316 0.736 -8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.683 0.484 -9.703 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.251 2.911 -8.770 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.887 1.585 -9.724 1.00 0.00 H new ATOM 0 HE ARG A 11 3.712 2.656 -11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.928 3.692 -10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.136 4.828 -11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.993 4.106 -12.821 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.473 5.061 -12.950 1.00 0.00 H new ATOM 170 N GLY A 12 0.803 2.431 -6.096 1.00 0.00 N ATOM 171 CA GLY A 12 -0.182 3.259 -5.406 1.00 0.00 C ATOM 172 C GLY A 12 -0.825 4.319 -6.304 1.00 0.00 C ATOM 173 O GLY A 12 -1.768 4.991 -5.883 1.00 0.00 O ATOM 0 H GLY A 12 1.741 2.507 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.963 2.617 -4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.298 3.753 -4.561 1.00 0.00 H new ATOM 177 N LEU A 13 -0.337 4.465 -7.537 1.00 0.00 N ATOM 178 CA LEU A 13 -0.889 5.321 -8.567 1.00 0.00 C ATOM 179 C LEU A 13 -2.236 4.775 -9.027 1.00 0.00 C ATOM 180 O LEU A 13 -3.150 5.564 -9.253 1.00 0.00 O ATOM 181 CB LEU A 13 0.063 5.324 -9.779 1.00 0.00 C ATOM 182 CG LEU A 13 1.326 6.180 -9.584 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.481 5.662 -10.440 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.060 7.641 -9.962 1.00 0.00 C ATOM 0 H LEU A 13 0.493 3.962 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.011 6.327 -8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.362 4.298 -9.995 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.479 5.688 -10.652 1.00 0.00 H new ATOM 0 HG LEU A 13 1.596 6.115 -8.530 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.360 6.287 -10.281 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.710 4.634 -10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.198 5.695 -11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.968 8.226 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.757 7.697 -11.008 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.265 8.041 -9.332 1.00 0.00 H new ATOM 196 N ASP A 14 -2.381 3.457 -9.166 1.00 0.00 N ATOM 197 CA ASP A 14 -3.586 2.859 -9.729 1.00 0.00 C ATOM 198 C ASP A 14 -4.741 2.869 -8.734 1.00 0.00 C ATOM 199 O ASP A 14 -5.759 3.518 -8.985 1.00 0.00 O ATOM 200 CB ASP A 14 -3.290 1.461 -10.286 1.00 0.00 C ATOM 201 CG ASP A 14 -2.563 1.582 -11.623 1.00 0.00 C ATOM 202 OD1 ASP A 14 -3.174 2.047 -12.609 1.00 0.00 O ATOM 203 OD2 ASP A 14 -1.349 1.286 -11.705 1.00 0.00 O ATOM 0 H ASP A 14 -1.669 2.779 -8.892 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.911 3.474 -10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.680 0.899 -9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.219 0.907 -10.416 1.00 0.00 H new ATOM 208 N ILE A 15 -4.624 2.154 -7.614 1.00 0.00 N ATOM 209 CA ILE A 15 -5.715 2.007 -6.651 1.00 0.00 C ATOM 210 C ILE A 15 -5.693 3.221 -5.718 1.00 0.00 C ATOM 211 O ILE A 15 -4.803 3.342 -4.875 1.00 0.00 O ATOM 212 CB ILE A 15 -5.624 0.634 -5.942 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.965 -0.470 -6.973 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.560 0.563 -4.719 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.935 -1.898 -6.422 1.00 0.00 C ATOM 0 H ILE A 15 -3.771 1.661 -7.350 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.690 1.999 -7.138 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.612 0.488 -5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.957 -0.274 -7.379 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.262 -0.401 -7.803 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.469 -0.415 -4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.284 1.338 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.590 0.716 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.187 -2.600 -7.217 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.938 -2.121 -6.043 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.659 -1.991 -5.613 1.00 0.00 H new ATOM 227 N ARG A 16 -6.662 4.135 -5.873 1.00 0.00 N ATOM 228 CA ARG A 16 -6.735 5.388 -5.112 1.00 0.00 C ATOM 229 C ARG A 16 -8.134 5.653 -4.547 1.00 0.00 C ATOM 230 O ARG A 16 -8.538 6.809 -4.401 1.00 0.00 O ATOM 231 CB ARG A 16 -6.198 6.554 -5.960 1.00 0.00 C ATOM 232 CG ARG A 16 -4.692 6.431 -6.229 1.00 0.00 C ATOM 233 CD ARG A 16 -4.167 7.585 -7.084 1.00 0.00 C ATOM 234 NE ARG A 16 -4.361 8.911 -6.463 1.00 0.00 N ATOM 235 CZ ARG A 16 -4.489 10.056 -7.149 1.00 0.00 C ATOM 236 NH1 ARG A 16 -4.322 10.066 -8.467 1.00 0.00 N ATOM 237 NH2 ARG A 16 -4.779 11.190 -6.521 1.00 0.00 N ATOM 0 H ARG A 16 -7.426 4.022 -6.539 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.092 5.292 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.733 6.587 -6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.398 7.495 -5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.155 6.409 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.490 5.486 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.104 7.433 -7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.669 7.568 -8.051 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.400 8.959 -5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.096 9.202 -8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.420 10.938 -8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.906 11.194 -5.509 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.874 12.056 -7.051 1.00 0.00 H new ATOM 251 N LYS A 17 -8.899 4.605 -4.239 1.00 0.00 N ATOM 252 CA LYS A 17 -10.184 4.761 -3.567 1.00 0.00 C ATOM 253 C LYS A 17 -9.892 5.119 -2.108 1.00 0.00 C ATOM 254 O LYS A 17 -8.753 4.982 -1.659 1.00 0.00 O ATOM 255 CB LYS A 17 -10.986 3.451 -3.687 1.00 0.00 C ATOM 256 CG LYS A 17 -11.288 3.047 -5.147 1.00 0.00 C ATOM 257 CD LYS A 17 -12.015 4.126 -5.968 1.00 0.00 C ATOM 258 CE LYS A 17 -13.362 4.520 -5.357 1.00 0.00 C ATOM 259 NZ LYS A 17 -14.402 3.496 -5.586 1.00 0.00 N ATOM 0 H LYS A 17 -8.648 3.638 -4.446 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.785 5.550 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.430 2.648 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.926 3.559 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.350 2.800 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.894 2.141 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.381 5.010 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.173 3.761 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.240 4.678 -4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.689 5.468 -5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.296 3.807 -5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.539 3.363 -6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.104 2.597 -5.156 1.00 0.00 H new ATOM 273 N GLU A 18 -10.914 5.559 -1.367 1.00 0.00 N ATOM 274 CA GLU A 18 -10.762 6.053 0.002 1.00 0.00 C ATOM 275 C GLU A 18 -9.966 5.050 0.841 1.00 0.00 C ATOM 276 O GLU A 18 -9.001 5.415 1.520 1.00 0.00 O ATOM 277 CB GLU A 18 -12.127 6.355 0.639 1.00 0.00 C ATOM 278 CG GLU A 18 -11.980 7.286 1.855 1.00 0.00 C ATOM 279 CD GLU A 18 -12.632 6.735 3.123 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.837 6.995 3.349 1.00 0.00 O ATOM 281 OE2 GLU A 18 -11.937 6.090 3.938 1.00 0.00 O ATOM 0 H GLU A 18 -11.876 5.582 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.206 6.990 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.781 6.818 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.602 5.423 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.921 7.458 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.423 8.253 1.618 1.00 0.00 H new ATOM 288 N LYS A 19 -10.352 3.780 0.757 1.00 0.00 N ATOM 289 CA LYS A 19 -9.684 2.636 1.347 1.00 0.00 C ATOM 290 C LYS A 19 -10.017 1.448 0.454 1.00 0.00 C ATOM 291 O LYS A 19 -11.115 1.399 -0.113 1.00 0.00 O ATOM 292 CB LYS A 19 -10.055 2.460 2.829 1.00 0.00 C ATOM 293 CG LYS A 19 -11.544 2.630 3.192 1.00 0.00 C ATOM 294 CD LYS A 19 -11.674 2.746 4.715 1.00 0.00 C ATOM 295 CE LYS A 19 -13.078 3.168 5.151 1.00 0.00 C ATOM 296 NZ LYS A 19 -13.198 3.157 6.624 1.00 0.00 N ATOM 0 H LYS A 19 -11.191 3.512 0.243 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.602 2.760 1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.739 1.465 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.478 3.177 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.950 3.519 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.120 1.779 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.428 1.787 5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.949 3.471 5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.296 4.166 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.816 2.494 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.159 3.447 6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.012 2.198 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.508 3.819 7.033 1.00 0.00 H new ATOM 310 N ALA A 20 -9.055 0.551 0.272 1.00 0.00 N ATOM 311 CA ALA A 20 -9.111 -0.580 -0.637 1.00 0.00 C ATOM 312 C ALA A 20 -8.371 -1.757 -0.014 1.00 0.00 C ATOM 313 O ALA A 20 -7.412 -1.563 0.737 1.00 0.00 O ATOM 314 CB ALA A 20 -8.476 -0.199 -1.977 1.00 0.00 C ATOM 0 H ALA A 20 -8.172 0.598 0.781 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.149 -0.862 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.520 -1.051 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.019 0.640 -2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.436 0.085 -1.819 1.00 0.00 H new ATOM 320 N ASP A 21 -8.840 -2.968 -0.284 1.00 0.00 N ATOM 321 CA ASP A 21 -8.252 -4.211 0.206 1.00 0.00 C ATOM 322 C ASP A 21 -7.612 -4.855 -1.016 1.00 0.00 C ATOM 323 O ASP A 21 -8.309 -5.131 -1.993 1.00 0.00 O ATOM 324 CB ASP A 21 -9.324 -5.102 0.854 1.00 0.00 C ATOM 325 CG ASP A 21 -10.204 -4.309 1.816 1.00 0.00 C ATOM 326 OD1 ASP A 21 -9.759 -3.927 2.922 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.345 -3.957 1.435 1.00 0.00 O ATOM 0 H ASP A 21 -9.664 -3.119 -0.867 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.511 -4.046 0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.944 -5.550 0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.843 -5.920 1.390 1.00 0.00 H new ATOM 332 N VAL A 22 -6.293 -5.031 -1.031 1.00 0.00 N ATOM 333 CA VAL A 22 -5.580 -5.516 -2.210 1.00 0.00 C ATOM 334 C VAL A 22 -4.874 -6.829 -1.886 1.00 0.00 C ATOM 335 O VAL A 22 -4.379 -7.024 -0.779 1.00 0.00 O ATOM 336 CB VAL A 22 -4.651 -4.418 -2.772 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.424 -3.130 -3.097 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.499 -4.031 -1.835 1.00 0.00 C ATOM 0 H VAL A 22 -5.690 -4.842 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.284 -5.739 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.233 -4.866 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.736 -2.382 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.191 -3.344 -3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.895 -2.750 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.894 -3.255 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.905 -3.657 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.879 -4.906 -1.640 1.00 0.00 H new ATOM 348 N LEU A 23 -4.825 -7.740 -2.855 1.00 0.00 N ATOM 349 CA LEU A 23 -4.222 -9.063 -2.740 1.00 0.00 C ATOM 350 C LEU A 23 -3.107 -9.131 -3.761 1.00 0.00 C ATOM 351 O LEU A 23 -3.352 -8.907 -4.945 1.00 0.00 O ATOM 352 CB LEU A 23 -5.245 -10.186 -3.000 1.00 0.00 C ATOM 353 CG LEU A 23 -6.170 -10.594 -1.835 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.439 -11.544 -0.882 1.00 0.00 C ATOM 355 CD2 LEU A 23 -6.788 -9.430 -1.053 1.00 0.00 C ATOM 0 H LEU A 23 -5.221 -7.568 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.848 -9.210 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.873 -9.881 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.697 -11.072 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.013 -11.099 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.104 -11.823 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.134 -12.439 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.557 -11.047 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.421 -9.822 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.995 -8.821 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.389 -8.818 -1.726 1.00 0.00 H new ATOM 367 N CYS A 24 -1.906 -9.442 -3.283 1.00 0.00 N ATOM 368 CA CYS A 24 -0.683 -9.566 -4.057 1.00 0.00 C ATOM 369 C CYS A 24 -0.342 -11.065 -4.135 1.00 0.00 C ATOM 370 O CYS A 24 0.174 -11.599 -3.147 1.00 0.00 O ATOM 371 CB CYS A 24 0.398 -8.764 -3.313 1.00 0.00 C ATOM 372 SG CYS A 24 1.851 -8.226 -4.239 1.00 0.00 S ATOM 0 H CYS A 24 -1.756 -9.623 -2.291 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.770 -9.180 -5.073 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.076 -7.877 -2.893 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.743 -9.369 -2.474 1.00 0.00 H new ATOM 377 N PRO A 25 -0.710 -11.797 -5.198 1.00 0.00 N ATOM 378 CA PRO A 25 -0.331 -13.188 -5.388 1.00 0.00 C ATOM 379 C PRO A 25 1.043 -13.308 -6.053 1.00 0.00 C ATOM 380 O PRO A 25 1.484 -12.416 -6.786 1.00 0.00 O ATOM 381 CB PRO A 25 -1.397 -13.747 -6.325 1.00 0.00 C ATOM 382 CG PRO A 25 -1.755 -12.553 -7.214 1.00 0.00 C ATOM 383 CD PRO A 25 -1.469 -11.336 -6.341 1.00 0.00 C ATOM 0 HA PRO A 25 -0.267 -13.718 -4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.017 -14.584 -6.911 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.264 -14.111 -5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.155 -12.540 -8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.800 -12.585 -7.522 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.908 -10.586 -6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.399 -10.865 -6.021 1.00 0.00 H new ATOM 391 N GLY A 26 1.663 -14.469 -5.882 1.00 0.00 N ATOM 392 CA GLY A 26 2.923 -14.829 -6.507 1.00 0.00 C ATOM 393 C GLY A 26 4.019 -14.858 -5.458 1.00 0.00 C ATOM 394 O GLY A 26 4.031 -15.750 -4.606 1.00 0.00 O ATOM 0 H GLY A 26 1.289 -15.207 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.838 -15.804 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.172 -14.111 -7.288 1.00 0.00 H new ATOM 398 N GLY A 27 4.925 -13.890 -5.505 1.00 0.00 N ATOM 399 CA GLY A 27 6.096 -13.830 -4.644 1.00 0.00 C ATOM 400 C GLY A 27 6.690 -12.432 -4.512 1.00 0.00 C ATOM 401 O GLY A 27 7.499 -12.217 -3.617 1.00 0.00 O ATOM 0 H GLY A 27 4.864 -13.108 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.826 -14.195 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.858 -14.503 -5.035 1.00 0.00 H new ATOM 405 N CYS A 28 6.272 -11.489 -5.360 1.00 0.00 N ATOM 406 CA CYS A 28 6.779 -10.132 -5.506 1.00 0.00 C ATOM 407 C CYS A 28 8.284 -10.055 -5.207 1.00 0.00 C ATOM 408 O CYS A 28 8.680 -9.527 -4.168 1.00 0.00 O ATOM 409 CB CYS A 28 5.948 -9.151 -4.677 1.00 0.00 C ATOM 410 SG CYS A 28 6.134 -7.460 -5.289 1.00 0.00 S ATOM 0 H CYS A 28 5.510 -11.675 -6.012 1.00 0.00 H new ATOM 0 HA CYS A 28 6.669 -9.832 -6.548 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.898 -9.440 -4.712 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.258 -9.199 -3.633 1.00 0.00 H new ATOM 415 N PRO A 29 9.133 -10.610 -6.084 1.00 0.00 N ATOM 416 CA PRO A 29 10.566 -10.679 -5.843 1.00 0.00 C ATOM 417 C PRO A 29 11.168 -9.273 -5.918 1.00 0.00 C ATOM 418 O PRO A 29 10.533 -8.362 -6.460 1.00 0.00 O ATOM 419 CB PRO A 29 11.083 -11.596 -6.947 1.00 0.00 C ATOM 420 CG PRO A 29 10.139 -11.320 -8.112 1.00 0.00 C ATOM 421 CD PRO A 29 8.801 -11.080 -7.420 1.00 0.00 C ATOM 0 HA PRO A 29 10.832 -11.062 -4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.117 -11.368 -7.206 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.053 -12.643 -6.646 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.455 -10.452 -8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.091 -12.163 -8.801 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.207 -10.342 -7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.211 -11.995 -7.379 1.00 0.00 H new ATOM 429 N LEU A 30 12.395 -9.083 -5.426 1.00 0.00 N ATOM 430 CA LEU A 30 13.066 -7.783 -5.459 1.00 0.00 C ATOM 431 C LEU A 30 13.622 -7.518 -6.862 1.00 0.00 C ATOM 432 O LEU A 30 14.831 -7.395 -7.059 1.00 0.00 O ATOM 433 CB LEU A 30 14.175 -7.696 -4.388 1.00 0.00 C ATOM 434 CG LEU A 30 13.695 -7.674 -2.925 1.00 0.00 C ATOM 435 CD1 LEU A 30 14.910 -7.596 -1.993 1.00 0.00 C ATOM 436 CD2 LEU A 30 12.779 -6.480 -2.632 1.00 0.00 C ATOM 0 H LEU A 30 12.949 -9.824 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 30 12.335 -7.009 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.846 -8.545 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.761 -6.796 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 30 13.127 -8.589 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.573 -7.580 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.548 -8.465 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.474 -6.687 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.467 -6.508 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.318 -5.552 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.900 -6.529 -3.275 1.00 0.00 H new ATOM 448 N GLU A 31 12.738 -7.414 -7.851 1.00 0.00 N ATOM 449 CA GLU A 31 13.098 -7.032 -9.204 1.00 0.00 C ATOM 450 C GLU A 31 13.089 -5.505 -9.250 1.00 0.00 C ATOM 451 O GLU A 31 14.078 -4.905 -9.674 1.00 0.00 O ATOM 452 CB GLU A 31 12.159 -7.693 -10.225 1.00 0.00 C ATOM 453 CG GLU A 31 12.352 -7.178 -11.661 1.00 0.00 C ATOM 454 CD GLU A 31 13.756 -7.358 -12.259 1.00 0.00 C ATOM 455 OE1 GLU A 31 14.677 -7.913 -11.619 1.00 0.00 O ATOM 456 OE2 GLU A 31 13.947 -6.939 -13.425 1.00 0.00 O ATOM 0 H GLU A 31 11.742 -7.596 -7.729 1.00 0.00 H new ATOM 0 HA GLU A 31 14.093 -7.384 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.320 -8.771 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.126 -7.520 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.636 -7.686 -12.307 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.103 -6.117 -11.682 1.00 0.00 H new ATOM 463 N GLU A 32 12.009 -4.863 -8.791 1.00 0.00 N ATOM 464 CA GLU A 32 11.924 -3.417 -8.651 1.00 0.00 C ATOM 465 C GLU A 32 10.990 -3.048 -7.507 1.00 0.00 C ATOM 466 O GLU A 32 9.769 -3.130 -7.661 1.00 0.00 O ATOM 467 CB GLU A 32 11.444 -2.692 -9.927 1.00 0.00 C ATOM 468 CG GLU A 32 12.534 -2.467 -10.979 1.00 0.00 C ATOM 469 CD GLU A 32 12.415 -1.077 -11.605 1.00 0.00 C ATOM 470 OE1 GLU A 32 12.949 -0.121 -10.989 1.00 0.00 O ATOM 471 OE2 GLU A 32 11.800 -0.916 -12.682 1.00 0.00 O ATOM 0 H GLU A 32 11.159 -5.348 -8.503 1.00 0.00 H new ATOM 0 HA GLU A 32 12.943 -3.086 -8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.637 -3.271 -10.377 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.025 -1.726 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.516 -2.580 -10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.456 -3.227 -11.756 1.00 0.00 H new ATOM 478 N PHE A 33 11.557 -2.697 -6.352 1.00 0.00 N ATOM 479 CA PHE A 33 10.821 -2.175 -5.214 1.00 0.00 C ATOM 480 C PHE A 33 11.354 -0.761 -5.055 1.00 0.00 C ATOM 481 O PHE A 33 12.524 -0.566 -4.727 1.00 0.00 O ATOM 482 CB PHE A 33 11.020 -2.961 -3.912 1.00 0.00 C ATOM 483 CG PHE A 33 10.210 -4.224 -3.690 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.934 -5.151 -4.710 1.00 0.00 C ATOM 485 CD2 PHE A 33 9.707 -4.457 -2.396 1.00 0.00 C ATOM 486 CE1 PHE A 33 9.165 -6.291 -4.421 1.00 0.00 C ATOM 487 CE2 PHE A 33 8.952 -5.602 -2.104 1.00 0.00 C ATOM 488 CZ PHE A 33 8.683 -6.525 -3.122 1.00 0.00 C ATOM 0 H PHE A 33 12.560 -2.771 -6.184 1.00 0.00 H new ATOM 0 HA PHE A 33 9.749 -2.239 -5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.074 -3.229 -3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.811 -2.285 -3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.310 -4.988 -5.709 1.00 0.00 H new ATOM 0 HD2 PHE A 33 9.906 -3.740 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.941 -6.997 -5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.582 -5.770 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.107 -7.414 -2.910 1.00 0.00 H new ATOM 498 N SER A 34 10.498 0.216 -5.298 1.00 0.00 N ATOM 499 CA SER A 34 10.757 1.629 -5.180 1.00 0.00 C ATOM 500 C SER A 34 9.654 2.161 -4.272 1.00 0.00 C ATOM 501 O SER A 34 8.467 1.877 -4.490 1.00 0.00 O ATOM 502 CB SER A 34 10.763 2.213 -6.596 1.00 0.00 C ATOM 503 OG SER A 34 11.452 3.440 -6.659 1.00 0.00 O ATOM 0 H SER A 34 9.543 0.024 -5.602 1.00 0.00 H new ATOM 0 HA SER A 34 11.718 1.896 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.227 1.502 -7.279 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.736 2.356 -6.933 1.00 0.00 H new ATOM 0 HG SER A 34 11.559 3.707 -7.596 1.00 0.00 H new ATOM 509 N VAL A 35 10.027 2.857 -3.204 1.00 0.00 N ATOM 510 CA VAL A 35 9.094 3.342 -2.201 1.00 0.00 C ATOM 511 C VAL A 35 9.467 4.789 -1.917 1.00 0.00 C ATOM 512 O VAL A 35 10.628 5.189 -2.046 1.00 0.00 O ATOM 513 CB VAL A 35 9.126 2.419 -0.964 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.058 2.785 0.071 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.839 0.966 -1.356 1.00 0.00 C ATOM 0 H VAL A 35 10.998 3.102 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 35 8.059 3.320 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 35 10.124 2.542 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.125 2.104 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.218 3.808 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.070 2.704 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.868 0.337 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.852 0.901 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.593 0.625 -2.066 1.00 0.00 H new ATOM 525 N TYR A 36 8.478 5.595 -1.545 1.00 0.00 N ATOM 526 CA TYR A 36 8.656 7.015 -1.363 1.00 0.00 C ATOM 527 C TYR A 36 7.868 7.443 -0.139 1.00 0.00 C ATOM 528 O TYR A 36 6.639 7.418 -0.164 1.00 0.00 O ATOM 529 CB TYR A 36 8.237 7.761 -2.628 1.00 0.00 C ATOM 530 CG TYR A 36 9.060 7.425 -3.849 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.762 6.280 -4.610 1.00 0.00 C ATOM 532 CD2 TYR A 36 10.178 8.216 -4.169 1.00 0.00 C ATOM 533 CE1 TYR A 36 9.623 5.878 -5.640 1.00 0.00 C ATOM 534 CE2 TYR A 36 11.050 7.814 -5.194 1.00 0.00 C ATOM 535 CZ TYR A 36 10.790 6.626 -5.908 1.00 0.00 C ATOM 536 OH TYR A 36 11.688 6.188 -6.823 1.00 0.00 O ATOM 0 H TYR A 36 7.528 5.271 -1.362 1.00 0.00 H new ATOM 0 HA TYR A 36 9.705 7.259 -1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.191 7.539 -2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.304 8.833 -2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.869 5.710 -4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.366 9.131 -3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.395 5.000 -6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.916 8.412 -5.434 1.00 0.00 H new ATOM 0 HH TYR A 36 11.779 5.215 -6.753 1.00 0.00 H new ATOM 546 N GLY A 37 8.584 7.808 0.921 1.00 0.00 N ATOM 547 CA GLY A 37 8.037 8.133 2.221 1.00 0.00 C ATOM 548 C GLY A 37 7.814 6.869 3.049 1.00 0.00 C ATOM 549 O GLY A 37 7.542 5.793 2.521 1.00 0.00 O ATOM 0 H GLY A 37 9.600 7.886 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.716 8.803 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.093 8.665 2.100 1.00 0.00 H new ATOM 553 N ASN A 38 8.041 6.962 4.358 1.00 0.00 N ATOM 554 CA ASN A 38 7.755 5.910 5.335 1.00 0.00 C ATOM 555 C ASN A 38 6.381 6.242 5.925 1.00 0.00 C ATOM 556 O ASN A 38 6.099 7.428 6.125 1.00 0.00 O ATOM 557 CB ASN A 38 8.847 5.879 6.417 1.00 0.00 C ATOM 558 CG ASN A 38 8.791 7.098 7.327 1.00 0.00 C ATOM 559 OD1 ASN A 38 9.062 8.206 6.873 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.402 6.943 8.580 1.00 0.00 N ATOM 0 H ASN A 38 8.442 7.798 4.783 1.00 0.00 H new ATOM 0 HA ASN A 38 7.746 4.920 4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.736 4.975 7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.826 5.828 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.321 7.754 9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.182 6.012 8.934 1.00 0.00 H new ATOM 567 N ILE A 39 5.555 5.239 6.252 1.00 0.00 N ATOM 568 CA ILE A 39 4.159 5.385 6.698 1.00 0.00 C ATOM 569 C ILE A 39 3.269 5.996 5.619 1.00 0.00 C ATOM 570 O ILE A 39 2.272 5.375 5.241 1.00 0.00 O ATOM 571 CB ILE A 39 4.029 6.015 8.113 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.247 4.929 9.184 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.723 6.795 8.369 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.018 4.019 9.349 1.00 0.00 C ATOM 0 H ILE A 39 5.851 4.264 6.212 1.00 0.00 H new ATOM 0 HA ILE A 39 3.759 4.381 6.839 1.00 0.00 H new ATOM 0 HB ILE A 39 4.809 6.774 8.175 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.112 4.323 8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.476 5.403 10.138 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.730 7.194 9.383 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.644 7.616 7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.870 6.127 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.220 3.270 10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.158 4.619 9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.804 3.522 8.403 1.00 0.00 H new ATOM 586 N VAL A 40 3.570 7.215 5.185 1.00 0.00 N ATOM 587 CA VAL A 40 2.919 7.870 4.080 1.00 0.00 C ATOM 588 C VAL A 40 3.734 7.452 2.875 1.00 0.00 C ATOM 589 O VAL A 40 4.838 7.950 2.660 1.00 0.00 O ATOM 590 CB VAL A 40 2.878 9.394 4.235 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.215 9.987 2.982 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.095 9.746 5.504 1.00 0.00 C ATOM 0 H VAL A 40 4.299 7.785 5.614 1.00 0.00 H new ATOM 0 HA VAL A 40 1.870 7.583 4.001 1.00 0.00 H new ATOM 0 HB VAL A 40 3.881 9.809 4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.175 11.073 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.796 9.716 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.203 9.593 2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.061 10.829 5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.080 9.358 5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.587 9.302 6.370 1.00 0.00 H new ATOM 602 N TYR A 41 3.182 6.521 2.123 1.00 0.00 N ATOM 603 CA TYR A 41 3.720 6.065 0.871 1.00 0.00 C ATOM 604 C TYR A 41 3.105 6.963 -0.192 1.00 0.00 C ATOM 605 O TYR A 41 1.884 7.012 -0.346 1.00 0.00 O ATOM 606 CB TYR A 41 3.378 4.581 0.730 1.00 0.00 C ATOM 607 CG TYR A 41 4.006 3.778 1.856 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.402 3.644 1.894 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.232 3.291 2.925 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.036 3.006 2.972 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.859 2.678 4.026 1.00 0.00 C ATOM 612 CZ TYR A 41 5.262 2.522 4.046 1.00 0.00 C ATOM 613 OH TYR A 41 5.869 1.973 5.129 1.00 0.00 O ATOM 0 H TYR A 41 2.316 6.049 2.382 1.00 0.00 H new ATOM 0 HA TYR A 41 4.804 6.133 0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.296 4.449 0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.734 4.210 -0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.997 4.037 1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.157 3.387 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.109 2.887 2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.266 2.326 4.857 1.00 0.00 H new ATOM 0 HH TYR A 41 6.833 1.904 4.964 1.00 0.00 H new ATOM 623 N ALA A 42 3.918 7.770 -0.869 1.00 0.00 N ATOM 624 CA ALA A 42 3.424 8.559 -1.986 1.00 0.00 C ATOM 625 C ALA A 42 3.002 7.609 -3.108 1.00 0.00 C ATOM 626 O ALA A 42 3.481 6.475 -3.185 1.00 0.00 O ATOM 627 CB ALA A 42 4.491 9.529 -2.465 1.00 0.00 C ATOM 0 H ALA A 42 4.910 7.892 -0.664 1.00 0.00 H new ATOM 0 HA ALA A 42 2.563 9.149 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.104 10.111 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.764 10.200 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.371 8.972 -2.787 1.00 0.00 H new ATOM 633 N SER A 43 2.176 8.119 -4.016 1.00 0.00 N ATOM 634 CA SER A 43 1.517 7.416 -5.110 1.00 0.00 C ATOM 635 C SER A 43 2.452 6.449 -5.854 1.00 0.00 C ATOM 636 O SER A 43 2.105 5.295 -6.091 1.00 0.00 O ATOM 637 CB SER A 43 0.981 8.516 -6.034 1.00 0.00 C ATOM 638 OG SER A 43 -0.069 8.106 -6.869 1.00 0.00 O ATOM 0 H SER A 43 1.932 9.109 -4.005 1.00 0.00 H new ATOM 0 HA SER A 43 0.720 6.776 -4.733 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.640 9.352 -5.424 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.799 8.885 -6.653 1.00 0.00 H new ATOM 0 HG SER A 43 -0.463 8.889 -7.307 1.00 0.00 H new ATOM 644 N VAL A 44 3.645 6.917 -6.214 1.00 0.00 N ATOM 645 CA VAL A 44 4.654 6.203 -6.991 1.00 0.00 C ATOM 646 C VAL A 44 5.216 4.955 -6.277 1.00 0.00 C ATOM 647 O VAL A 44 5.887 4.138 -6.909 1.00 0.00 O ATOM 648 CB VAL A 44 5.719 7.251 -7.406 1.00 0.00 C ATOM 649 CG1 VAL A 44 6.261 8.051 -6.204 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.873 6.697 -8.246 1.00 0.00 C ATOM 0 H VAL A 44 3.950 7.856 -5.957 1.00 0.00 H new ATOM 0 HA VAL A 44 4.211 5.765 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 44 5.171 7.931 -8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.003 8.770 -6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.441 8.581 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.723 7.368 -5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.566 7.502 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.396 5.925 -7.681 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.479 6.268 -9.168 1.00 0.00 H new ATOM 660 N SER A 45 4.982 4.778 -4.976 1.00 0.00 N ATOM 661 CA SER A 45 5.453 3.603 -4.256 1.00 0.00 C ATOM 662 C SER A 45 4.767 2.326 -4.755 1.00 0.00 C ATOM 663 O SER A 45 3.573 2.328 -5.078 1.00 0.00 O ATOM 664 CB SER A 45 5.178 3.761 -2.757 1.00 0.00 C ATOM 665 OG SER A 45 5.652 5.005 -2.274 1.00 0.00 O ATOM 0 H SER A 45 4.465 5.441 -4.399 1.00 0.00 H new ATOM 0 HA SER A 45 6.525 3.516 -4.435 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.107 3.681 -2.571 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.658 2.950 -2.210 1.00 0.00 H new ATOM 0 HG SER A 45 5.008 5.709 -2.497 1.00 0.00 H new ATOM 671 N SER A 46 5.525 1.231 -4.798 1.00 0.00 N ATOM 672 CA SER A 46 5.002 -0.090 -5.110 1.00 0.00 C ATOM 673 C SER A 46 4.006 -0.483 -4.015 1.00 0.00 C ATOM 674 O SER A 46 4.210 -0.135 -2.846 1.00 0.00 O ATOM 675 CB SER A 46 6.186 -1.063 -5.198 1.00 0.00 C ATOM 676 OG SER A 46 5.761 -2.407 -5.245 1.00 0.00 O ATOM 0 H SER A 46 6.528 1.241 -4.615 1.00 0.00 H new ATOM 0 HA SER A 46 4.476 -0.109 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.776 -0.838 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.839 -0.919 -4.337 1.00 0.00 H new ATOM 0 HG SER A 46 6.543 -2.995 -5.302 1.00 0.00 H new ATOM 682 N ILE A 47 2.942 -1.213 -4.371 1.00 0.00 N ATOM 683 CA ILE A 47 2.009 -1.751 -3.387 1.00 0.00 C ATOM 684 C ILE A 47 2.790 -2.765 -2.539 1.00 0.00 C ATOM 685 O ILE A 47 2.680 -2.707 -1.312 1.00 0.00 O ATOM 686 CB ILE A 47 0.728 -2.307 -4.064 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.103 -1.119 -4.609 1.00 0.00 C ATOM 688 CG2 ILE A 47 -0.131 -3.158 -3.109 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.349 -1.520 -5.409 1.00 0.00 C ATOM 0 H ILE A 47 2.710 -1.442 -5.337 1.00 0.00 H new ATOM 0 HA ILE A 47 1.625 -0.977 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 47 1.037 -2.967 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.412 -0.495 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.537 -0.506 -5.243 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.013 -3.520 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.453 -4.007 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.441 -2.550 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.867 -0.623 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.051 -2.117 -6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.016 -2.105 -4.775 1.00 0.00 H new ATOM 701 N CYS A 48 3.602 -3.639 -3.153 1.00 0.00 N ATOM 702 CA CYS A 48 4.481 -4.546 -2.420 1.00 0.00 C ATOM 703 C CYS A 48 5.432 -3.739 -1.559 1.00 0.00 C ATOM 704 O CYS A 48 5.540 -3.997 -0.365 1.00 0.00 O ATOM 705 CB CYS A 48 5.371 -5.384 -3.337 1.00 0.00 C ATOM 706 SG CYS A 48 4.558 -6.473 -4.484 1.00 0.00 S ATOM 0 H CYS A 48 3.664 -3.732 -4.167 1.00 0.00 H new ATOM 0 HA CYS A 48 3.825 -5.199 -1.844 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.004 -4.704 -3.907 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.031 -5.984 -2.711 1.00 0.00 H new ATOM 711 N GLY A 49 6.128 -2.783 -2.180 1.00 0.00 N ATOM 712 CA GLY A 49 7.159 -1.999 -1.534 1.00 0.00 C ATOM 713 C GLY A 49 6.628 -1.380 -0.252 1.00 0.00 C ATOM 714 O GLY A 49 7.173 -1.641 0.814 1.00 0.00 O ATOM 0 H GLY A 49 5.982 -2.536 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.019 -2.630 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.505 -1.215 -2.208 1.00 0.00 H new ATOM 718 N ALA A 50 5.544 -0.609 -0.342 1.00 0.00 N ATOM 719 CA ALA A 50 4.895 -0.002 0.808 1.00 0.00 C ATOM 720 C ALA A 50 4.510 -1.055 1.851 1.00 0.00 C ATOM 721 O ALA A 50 4.802 -0.879 3.032 1.00 0.00 O ATOM 722 CB ALA A 50 3.666 0.773 0.329 1.00 0.00 C ATOM 0 H ALA A 50 5.091 -0.389 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 50 5.591 0.683 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.170 1.233 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.975 1.548 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.976 0.090 -0.166 1.00 0.00 H new ATOM 728 N ALA A 51 3.847 -2.137 1.430 1.00 0.00 N ATOM 729 CA ALA A 51 3.341 -3.174 2.319 1.00 0.00 C ATOM 730 C ALA A 51 4.471 -3.812 3.126 1.00 0.00 C ATOM 731 O ALA A 51 4.415 -3.860 4.353 1.00 0.00 O ATOM 732 CB ALA A 51 2.592 -4.233 1.504 1.00 0.00 C ATOM 0 H ALA A 51 3.647 -2.315 0.446 1.00 0.00 H new ATOM 0 HA ALA A 51 2.651 -2.716 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.215 -5.007 2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.757 -3.767 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.270 -4.680 0.777 1.00 0.00 H new ATOM 738 N VAL A 52 5.465 -4.360 2.439 1.00 0.00 N ATOM 739 CA VAL A 52 6.597 -5.049 3.032 1.00 0.00 C ATOM 740 C VAL A 52 7.472 -4.065 3.834 1.00 0.00 C ATOM 741 O VAL A 52 7.979 -4.439 4.890 1.00 0.00 O ATOM 742 CB VAL A 52 7.332 -5.830 1.924 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.458 -6.682 2.508 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.405 -6.802 1.166 1.00 0.00 C ATOM 0 H VAL A 52 5.504 -4.335 1.420 1.00 0.00 H new ATOM 0 HA VAL A 52 6.276 -5.785 3.769 1.00 0.00 H new ATOM 0 HB VAL A 52 7.713 -5.069 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.960 -7.222 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.176 -6.038 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.043 -7.395 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.975 -7.325 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.988 -7.527 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.595 -6.242 0.698 1.00 0.00 H new ATOM 754 N HIS A 53 7.607 -2.800 3.410 1.00 0.00 N ATOM 755 CA HIS A 53 8.315 -1.757 4.165 1.00 0.00 C ATOM 756 C HIS A 53 7.621 -1.523 5.508 1.00 0.00 C ATOM 757 O HIS A 53 8.250 -1.528 6.566 1.00 0.00 O ATOM 758 CB HIS A 53 8.370 -0.465 3.338 1.00 0.00 C ATOM 759 CG HIS A 53 9.191 0.641 3.942 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.748 1.641 4.818 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.493 0.865 3.619 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.829 2.425 5.009 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.880 1.991 4.297 1.00 0.00 N ATOM 0 H HIS A 53 7.224 -2.469 2.524 1.00 0.00 H new ATOM 0 HA HIS A 53 9.337 -2.081 4.363 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.772 -0.699 2.352 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.353 -0.103 3.190 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.104 0.270 2.956 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.846 3.292 5.653 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.804 2.423 4.266 1.00 0.00 H new ATOM 771 N ARG A 54 6.296 -1.354 5.476 1.00 0.00 N ATOM 772 CA ARG A 54 5.441 -1.247 6.655 1.00 0.00 C ATOM 773 C ARG A 54 5.492 -2.534 7.485 1.00 0.00 C ATOM 774 O ARG A 54 5.198 -2.483 8.678 1.00 0.00 O ATOM 775 CB ARG A 54 4.020 -0.918 6.176 1.00 0.00 C ATOM 776 CG ARG A 54 2.935 -0.792 7.254 1.00 0.00 C ATOM 777 CD ARG A 54 3.057 0.456 8.132 1.00 0.00 C ATOM 778 NE ARG A 54 1.711 0.914 8.499 1.00 0.00 N ATOM 779 CZ ARG A 54 1.152 1.060 9.703 1.00 0.00 C ATOM 780 NH1 ARG A 54 1.810 0.865 10.839 1.00 0.00 N ATOM 781 NH2 ARG A 54 -0.118 1.430 9.751 1.00 0.00 N ATOM 0 H ARG A 54 5.776 -1.286 4.601 1.00 0.00 H new ATOM 0 HA ARG A 54 5.790 -0.451 7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.058 0.020 5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.711 -1.692 5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.958 -0.787 6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.970 -1.675 7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.636 0.231 9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.590 1.242 7.597 1.00 0.00 H new ATOM 0 HE ARG A 54 1.110 1.159 7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.792 0.590 10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.334 0.991 11.732 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.635 1.593 8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.580 1.552 10.652 1.00 0.00 H new ATOM 795 N GLY A 55 5.837 -3.675 6.891 1.00 0.00 N ATOM 796 CA GLY A 55 5.879 -4.960 7.567 1.00 0.00 C ATOM 797 C GLY A 55 4.504 -5.616 7.615 1.00 0.00 C ATOM 798 O GLY A 55 4.241 -6.414 8.516 1.00 0.00 O ATOM 0 H GLY A 55 6.099 -3.728 5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.579 -5.619 7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.254 -4.826 8.582 1.00 0.00 H new ATOM 802 N VAL A 56 3.601 -5.277 6.693 1.00 0.00 N ATOM 803 CA VAL A 56 2.266 -5.864 6.614 1.00 0.00 C ATOM 804 C VAL A 56 2.370 -7.366 6.333 1.00 0.00 C ATOM 805 O VAL A 56 1.679 -8.180 6.950 1.00 0.00 O ATOM 806 CB VAL A 56 1.436 -5.113 5.546 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.100 -5.777 5.189 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.167 -3.677 6.013 1.00 0.00 C ATOM 0 H VAL A 56 3.781 -4.578 5.972 1.00 0.00 H new ATOM 0 HA VAL A 56 1.748 -5.755 7.567 1.00 0.00 H new ATOM 0 HB VAL A 56 2.042 -5.134 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.412 -5.181 4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.284 -6.778 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.523 -5.845 6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.582 -3.152 5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.613 -3.697 6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.115 -3.159 6.162 1.00 0.00 H new ATOM 818 N ILE A 57 3.254 -7.726 5.412 1.00 0.00 N ATOM 819 CA ILE A 57 3.468 -9.058 4.877 1.00 0.00 C ATOM 820 C ILE A 57 4.973 -9.252 4.710 1.00 0.00 C ATOM 821 O ILE A 57 5.743 -8.284 4.747 1.00 0.00 O ATOM 822 CB ILE A 57 2.721 -9.216 3.522 1.00 0.00 C ATOM 823 CG1 ILE A 57 2.799 -7.941 2.646 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.255 -9.605 3.771 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.482 -8.173 1.163 1.00 0.00 C ATOM 0 H ILE A 57 3.884 -7.043 4.991 1.00 0.00 H new ATOM 0 HA ILE A 57 3.073 -9.818 5.552 1.00 0.00 H new ATOM 0 HB ILE A 57 3.222 -10.011 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.105 -7.199 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.800 -7.518 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.740 -9.713 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.216 -10.550 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.767 -8.828 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.560 -7.230 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.191 -8.889 0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.470 -8.566 1.064 1.00 0.00 H new ATOM 837 N SER A 58 5.386 -10.503 4.535 1.00 0.00 N ATOM 838 CA SER A 58 6.759 -10.863 4.226 1.00 0.00 C ATOM 839 C SER A 58 7.008 -10.482 2.764 1.00 0.00 C ATOM 840 O SER A 58 6.048 -10.205 2.028 1.00 0.00 O ATOM 841 CB SER A 58 6.934 -12.374 4.422 1.00 0.00 C ATOM 842 OG SER A 58 6.501 -12.781 5.710 1.00 0.00 O ATOM 0 H SER A 58 4.762 -11.307 4.606 1.00 0.00 H new ATOM 0 HA SER A 58 7.466 -10.346 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.368 -12.910 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.982 -12.641 4.287 1.00 0.00 H new ATOM 0 HG SER A 58 6.623 -13.749 5.805 1.00 0.00 H new ATOM 848 N ASN A 59 8.258 -10.519 2.290 1.00 0.00 N ATOM 849 CA ASN A 59 8.513 -10.208 0.889 1.00 0.00 C ATOM 850 C ASN A 59 8.217 -11.479 0.086 1.00 0.00 C ATOM 851 O ASN A 59 9.112 -12.162 -0.416 1.00 0.00 O ATOM 852 CB ASN A 59 9.982 -9.770 0.779 1.00 0.00 C ATOM 853 CG ASN A 59 10.257 -8.966 -0.478 1.00 0.00 C ATOM 854 OD1 ASN A 59 10.747 -7.849 -0.375 1.00 0.00 O ATOM 855 ND2 ASN A 59 9.942 -9.484 -1.650 1.00 0.00 N ATOM 0 H ASN A 59 9.084 -10.754 2.841 1.00 0.00 H new ATOM 0 HA ASN A 59 7.889 -9.403 0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.246 -9.174 1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.622 -10.652 0.789 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.106 -8.951 -2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.535 -10.418 -1.702 1.00 0.00 H new ATOM 862 N SER A 60 6.926 -11.780 -0.023 1.00 0.00 N ATOM 863 CA SER A 60 6.325 -12.894 -0.729 1.00 0.00 C ATOM 864 C SER A 60 4.954 -12.498 -1.308 1.00 0.00 C ATOM 865 O SER A 60 4.335 -13.290 -2.017 1.00 0.00 O ATOM 866 CB SER A 60 6.261 -14.092 0.221 1.00 0.00 C ATOM 867 OG SER A 60 6.158 -15.329 -0.469 1.00 0.00 O ATOM 0 H SER A 60 6.217 -11.196 0.421 1.00 0.00 H new ATOM 0 HA SER A 60 6.932 -13.179 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.153 -14.103 0.848 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.405 -13.979 0.886 1.00 0.00 H new ATOM 0 HG SER A 60 6.122 -16.063 0.179 1.00 0.00 H new ATOM 873 N GLY A 61 4.372 -11.365 -0.893 1.00 0.00 N ATOM 874 CA GLY A 61 3.015 -10.974 -1.270 1.00 0.00 C ATOM 875 C GLY A 61 2.054 -11.415 -0.158 1.00 0.00 C ATOM 876 O GLY A 61 2.497 -11.892 0.889 1.00 0.00 O ATOM 0 H GLY A 61 4.836 -10.692 -0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.958 -9.895 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.737 -11.437 -2.217 1.00 0.00 H new ATOM 880 N GLY A 62 0.749 -11.257 -0.361 1.00 0.00 N ATOM 881 CA GLY A 62 -0.287 -11.543 0.629 1.00 0.00 C ATOM 882 C GLY A 62 -1.413 -10.507 0.541 1.00 0.00 C ATOM 883 O GLY A 62 -1.439 -9.735 -0.425 1.00 0.00 O ATOM 0 H GLY A 62 0.371 -10.916 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.690 -12.542 0.464 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.145 -11.535 1.630 1.00 0.00 H new ATOM 887 N PRO A 63 -2.396 -10.540 1.456 1.00 0.00 N ATOM 888 CA PRO A 63 -3.439 -9.528 1.555 1.00 0.00 C ATOM 889 C PRO A 63 -2.841 -8.271 2.185 1.00 0.00 C ATOM 890 O PRO A 63 -1.928 -8.347 3.014 1.00 0.00 O ATOM 891 CB PRO A 63 -4.513 -10.132 2.465 1.00 0.00 C ATOM 892 CG PRO A 63 -3.714 -11.058 3.378 1.00 0.00 C ATOM 893 CD PRO A 63 -2.591 -11.562 2.471 1.00 0.00 C ATOM 0 HA PRO A 63 -3.858 -9.253 0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.040 -9.364 3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.264 -10.678 1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.323 -10.528 4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.326 -11.878 3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.675 -11.725 3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.857 -12.516 2.016 1.00 0.00 H new ATOM 901 N VAL A 64 -3.365 -7.107 1.821 1.00 0.00 N ATOM 902 CA VAL A 64 -2.863 -5.824 2.272 1.00 0.00 C ATOM 903 C VAL A 64 -4.066 -4.876 2.334 1.00 0.00 C ATOM 904 O VAL A 64 -4.960 -4.944 1.487 1.00 0.00 O ATOM 905 CB VAL A 64 -1.803 -5.298 1.274 1.00 0.00 C ATOM 906 CG1 VAL A 64 -0.908 -4.271 1.943 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.898 -6.332 0.577 1.00 0.00 C ATOM 0 H VAL A 64 -4.165 -7.032 1.193 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.387 -5.902 3.249 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.421 -4.879 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.169 -3.912 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.512 -3.434 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.399 -4.729 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.207 -5.819 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.333 -6.886 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.513 -7.024 0.002 1.00 0.00 H new ATOM 917 N ARG A 65 -4.081 -3.943 3.283 1.00 0.00 N ATOM 918 CA ARG A 65 -5.140 -2.950 3.426 1.00 0.00 C ATOM 919 C ARG A 65 -4.543 -1.581 3.171 1.00 0.00 C ATOM 920 O ARG A 65 -3.660 -1.153 3.916 1.00 0.00 O ATOM 921 CB ARG A 65 -5.732 -3.084 4.826 1.00 0.00 C ATOM 922 CG ARG A 65 -6.864 -2.096 5.108 1.00 0.00 C ATOM 923 CD ARG A 65 -7.336 -2.188 6.559 1.00 0.00 C ATOM 924 NE ARG A 65 -7.980 -3.468 6.847 1.00 0.00 N ATOM 925 CZ ARG A 65 -9.267 -3.764 6.655 1.00 0.00 C ATOM 926 NH1 ARG A 65 -10.087 -2.887 6.087 1.00 0.00 N ATOM 927 NH2 ARG A 65 -9.738 -4.938 7.041 1.00 0.00 N ATOM 0 H ARG A 65 -3.346 -3.855 3.985 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.947 -3.099 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.106 -4.099 4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.941 -2.937 5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.525 -1.082 4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.700 -2.297 4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.485 -2.053 7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.034 -1.377 6.765 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.389 -4.205 7.231 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.735 -1.976 5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.069 -3.124 5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.118 -5.615 7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.721 -5.166 6.895 1.00 0.00 H new ATOM 941 N VAL A 66 -4.999 -0.901 2.128 1.00 0.00 N ATOM 942 CA VAL A 66 -4.539 0.428 1.763 1.00 0.00 C ATOM 943 C VAL A 66 -5.610 1.441 2.165 1.00 0.00 C ATOM 944 O VAL A 66 -6.806 1.211 1.976 1.00 0.00 O ATOM 945 CB VAL A 66 -4.254 0.460 0.246 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.891 1.870 -0.243 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.106 -0.493 -0.134 1.00 0.00 C ATOM 0 H VAL A 66 -5.714 -1.267 1.500 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.615 0.684 2.282 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.177 0.138 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.699 1.845 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.718 2.550 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.998 2.217 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.933 -0.444 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.199 -0.198 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.372 -1.513 0.145 1.00 0.00 H new ATOM 957 N TYR A 67 -5.166 2.586 2.675 1.00 0.00 N ATOM 958 CA TYR A 67 -5.970 3.749 3.004 1.00 0.00 C ATOM 959 C TYR A 67 -5.342 4.899 2.231 1.00 0.00 C ATOM 960 O TYR A 67 -4.129 5.106 2.316 1.00 0.00 O ATOM 961 CB TYR A 67 -5.925 4.058 4.505 1.00 0.00 C ATOM 962 CG TYR A 67 -6.742 3.133 5.380 1.00 0.00 C ATOM 963 CD1 TYR A 67 -6.171 1.950 5.882 1.00 0.00 C ATOM 964 CD2 TYR A 67 -8.044 3.499 5.773 1.00 0.00 C ATOM 965 CE1 TYR A 67 -6.903 1.143 6.769 1.00 0.00 C ATOM 966 CE2 TYR A 67 -8.788 2.673 6.632 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.226 1.478 7.121 1.00 0.00 C ATOM 968 OH TYR A 67 -8.933 0.660 7.943 1.00 0.00 O ATOM 0 H TYR A 67 -4.177 2.731 2.880 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.017 3.585 2.747 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.887 4.022 4.836 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.273 5.079 4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.173 1.663 5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.474 4.421 5.411 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.447 0.257 7.185 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.791 2.954 6.917 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.827 1.035 8.088 1.00 0.00 H new ATOM 978 N SER A 68 -6.134 5.631 1.450 1.00 0.00 N ATOM 979 CA SER A 68 -5.629 6.826 0.789 1.00 0.00 C ATOM 980 C SER A 68 -5.193 7.836 1.861 1.00 0.00 C ATOM 981 O SER A 68 -5.636 7.778 3.016 1.00 0.00 O ATOM 982 CB SER A 68 -6.683 7.396 -0.166 1.00 0.00 C ATOM 983 OG SER A 68 -7.896 7.669 0.502 1.00 0.00 O ATOM 0 H SER A 68 -7.114 5.420 1.263 1.00 0.00 H new ATOM 0 HA SER A 68 -4.760 6.584 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.305 8.311 -0.622 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.864 6.687 -0.974 1.00 0.00 H new ATOM 0 HG SER A 68 -8.277 6.833 0.842 1.00 0.00 H new ATOM 989 N LEU A 69 -4.286 8.737 1.503 1.00 0.00 N ATOM 990 CA LEU A 69 -3.839 9.839 2.342 1.00 0.00 C ATOM 991 C LEU A 69 -3.778 11.069 1.428 1.00 0.00 C ATOM 992 O LEU A 69 -3.464 10.893 0.248 1.00 0.00 O ATOM 993 CB LEU A 69 -2.506 9.399 2.971 1.00 0.00 C ATOM 994 CG LEU A 69 -2.023 10.223 4.175 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.213 9.305 5.085 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.172 11.437 3.768 1.00 0.00 C ATOM 0 H LEU A 69 -3.828 8.719 0.592 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.492 10.102 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.600 8.359 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.735 9.432 2.201 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.899 10.619 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.859 9.869 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.841 8.481 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.359 8.909 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.861 11.979 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.291 11.098 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.760 12.096 3.130 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.081 12.294 1.884 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.074 13.471 1.019 1.00 0.00 C ATOM 1010 C PRO A 70 -2.680 13.794 0.461 1.00 0.00 C ATOM 1011 O PRO A 70 -1.673 13.144 0.767 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.626 14.614 1.884 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.320 14.158 3.309 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.546 12.655 3.213 1.00 0.00 C ATOM 0 HA PRO A 70 -4.683 13.304 0.131 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.142 15.563 1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.695 14.756 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.299 14.399 3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.982 14.625 4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.991 12.121 3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.598 12.404 3.346 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.627 14.798 -0.415 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.376 15.318 -0.930 1.00 0.00 C ATOM 1024 C GLY A 71 -0.501 15.748 0.241 1.00 0.00 C ATOM 1025 O GLY A 71 -1.009 16.309 1.221 1.00 0.00 O ATOM 0 H GLY A 71 -3.454 15.268 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.867 14.557 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.563 16.164 -1.591 1.00 0.00 H new ATOM 1029 N ARG A 72 0.799 15.486 0.159 1.00 0.00 N ATOM 1030 CA ARG A 72 1.736 15.761 1.237 1.00 0.00 C ATOM 1031 C ARG A 72 3.060 16.291 0.732 1.00 0.00 C ATOM 1032 O ARG A 72 3.385 16.192 -0.447 1.00 0.00 O ATOM 1033 CB ARG A 72 1.904 14.516 2.134 1.00 0.00 C ATOM 1034 CG ARG A 72 0.784 14.373 3.179 1.00 0.00 C ATOM 1035 CD ARG A 72 1.285 13.751 4.492 1.00 0.00 C ATOM 1036 NE ARG A 72 2.484 14.435 5.012 1.00 0.00 N ATOM 1037 CZ ARG A 72 3.445 13.862 5.740 1.00 0.00 C ATOM 1038 NH1 ARG A 72 3.175 12.784 6.464 1.00 0.00 N ATOM 1039 NH2 ARG A 72 4.665 14.387 5.749 1.00 0.00 N ATOM 0 H ARG A 72 1.234 15.073 -0.666 1.00 0.00 H new ATOM 0 HA ARG A 72 1.315 16.560 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.925 13.624 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.865 14.570 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.355 15.354 3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.015 13.755 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.492 13.795 5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.512 12.697 4.329 1.00 0.00 H new ATOM 0 HE ARG A 72 2.587 15.427 4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.233 12.393 6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.909 12.346 7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.864 15.224 5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.403 13.953 6.304 1.00 0.00 H new ATOM 1053 N GLU A 73 3.815 16.860 1.662 1.00 0.00 N ATOM 1054 CA GLU A 73 5.170 17.359 1.555 1.00 0.00 C ATOM 1055 C GLU A 73 5.852 17.093 2.908 1.00 0.00 C ATOM 1056 O GLU A 73 5.219 16.583 3.844 1.00 0.00 O ATOM 1057 CB GLU A 73 5.184 18.843 1.136 1.00 0.00 C ATOM 1058 CG GLU A 73 4.473 19.825 2.083 1.00 0.00 C ATOM 1059 CD GLU A 73 2.947 19.819 1.932 1.00 0.00 C ATOM 1060 OE1 GLU A 73 2.449 20.163 0.833 1.00 0.00 O ATOM 1061 OE2 GLU A 73 2.257 19.493 2.927 1.00 0.00 O ATOM 0 H GLU A 73 3.451 16.995 2.605 1.00 0.00 H new ATOM 0 HA GLU A 73 5.727 16.847 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.222 19.159 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.725 18.925 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.730 19.576 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.845 20.832 1.896 1.00 0.00 H new ATOM 1068 N ASN A 74 7.134 17.450 3.025 1.00 0.00 N ATOM 1069 CA ASN A 74 8.007 17.181 4.171 1.00 0.00 C ATOM 1070 C ASN A 74 7.876 15.719 4.601 1.00 0.00 C ATOM 1071 O ASN A 74 7.494 15.418 5.730 1.00 0.00 O ATOM 1072 CB ASN A 74 7.787 18.165 5.337 1.00 0.00 C ATOM 1073 CG ASN A 74 8.098 19.618 5.018 1.00 0.00 C ATOM 1074 OD1 ASN A 74 8.713 19.941 4.004 1.00 0.00 O ATOM 1075 ND2 ASN A 74 7.676 20.537 5.863 1.00 0.00 N ATOM 0 H ASN A 74 7.616 17.961 2.285 1.00 0.00 H new ATOM 0 HA ASN A 74 9.036 17.348 3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.749 18.094 5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.406 17.853 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.859 21.523 5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.166 20.262 6.703 1.00 0.00 H new ATOM 1082 N TYR A 75 8.111 14.814 3.649 1.00 0.00 N ATOM 1083 CA TYR A 75 8.164 13.378 3.893 1.00 0.00 C ATOM 1084 C TYR A 75 9.493 13.049 4.602 1.00 0.00 C ATOM 1085 O TYR A 75 10.270 13.944 4.945 1.00 0.00 O ATOM 1086 CB TYR A 75 8.017 12.624 2.564 1.00 0.00 C ATOM 1087 CG TYR A 75 6.720 12.837 1.806 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.609 13.905 0.895 1.00 0.00 C ATOM 1089 CD2 TYR A 75 5.675 11.897 1.908 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.479 14.015 0.068 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.540 12.012 1.085 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.437 13.066 0.156 1.00 0.00 C ATOM 1093 OH TYR A 75 3.368 13.151 -0.681 1.00 0.00 O ATOM 0 H TYR A 75 8.272 15.066 2.674 1.00 0.00 H new ATOM 0 HA TYR A 75 7.344 13.063 4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.843 12.913 1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.125 11.558 2.763 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.396 14.642 0.832 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.746 11.087 2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.407 14.829 -0.638 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.743 11.288 1.166 1.00 0.00 H new ATOM 0 HH TYR A 75 2.630 12.614 -0.325 1.00 0.00 H new ATOM 1103 N SER A 76 9.804 11.770 4.805 1.00 0.00 N ATOM 1104 CA SER A 76 11.078 11.313 5.354 1.00 0.00 C ATOM 1105 C SER A 76 11.501 10.035 4.615 1.00 0.00 C ATOM 1106 O SER A 76 10.733 9.532 3.788 1.00 0.00 O ATOM 1107 CB SER A 76 10.954 11.150 6.877 1.00 0.00 C ATOM 1108 OG SER A 76 10.411 12.329 7.459 1.00 0.00 O ATOM 0 H SER A 76 9.163 11.007 4.588 1.00 0.00 H new ATOM 0 HA SER A 76 11.871 12.045 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.317 10.296 7.107 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.933 10.942 7.308 1.00 0.00 H new ATOM 0 HG SER A 76 10.336 12.210 8.429 1.00 0.00 H new ATOM 1114 N SER A 77 12.703 9.531 4.891 1.00 0.00 N ATOM 1115 CA SER A 77 13.315 8.406 4.194 1.00 0.00 C ATOM 1116 C SER A 77 13.756 7.377 5.235 1.00 0.00 C ATOM 1117 O SER A 77 14.349 7.771 6.241 1.00 0.00 O ATOM 1118 CB SER A 77 14.519 8.923 3.385 1.00 0.00 C ATOM 1119 OG SER A 77 14.194 10.094 2.641 1.00 0.00 O ATOM 0 H SER A 77 13.295 9.909 5.631 1.00 0.00 H new ATOM 0 HA SER A 77 12.611 7.936 3.508 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.345 9.140 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.861 8.143 2.704 1.00 0.00 H new ATOM 0 HG SER A 77 14.982 10.394 2.142 1.00 0.00 H new ATOM 1125 N VAL A 78 13.426 6.096 5.047 1.00 0.00 N ATOM 1126 CA VAL A 78 13.718 5.011 5.987 1.00 0.00 C ATOM 1127 C VAL A 78 13.884 3.730 5.158 1.00 0.00 C ATOM 1128 O VAL A 78 13.250 3.602 4.108 1.00 0.00 O ATOM 1129 CB VAL A 78 12.553 4.862 7.007 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.833 3.800 8.082 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.193 6.158 7.760 1.00 0.00 C ATOM 0 H VAL A 78 12.934 5.777 4.212 1.00 0.00 H new ATOM 0 HA VAL A 78 14.625 5.216 6.555 1.00 0.00 H new ATOM 0 HB VAL A 78 11.718 4.568 6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.985 3.741 8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.983 2.831 7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.729 4.074 8.639 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.372 5.962 8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.061 6.507 8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.891 6.923 7.044 1.00 0.00 H new ATOM 1141 N ASP A 79 14.679 2.764 5.619 1.00 0.00 N ATOM 1142 CA ASP A 79 14.794 1.454 4.973 1.00 0.00 C ATOM 1143 C ASP A 79 14.135 0.425 5.879 1.00 0.00 C ATOM 1144 O ASP A 79 14.181 0.569 7.104 1.00 0.00 O ATOM 1145 CB ASP A 79 16.247 1.029 4.732 1.00 0.00 C ATOM 1146 CG ASP A 79 16.294 -0.056 3.646 1.00 0.00 C ATOM 1147 OD1 ASP A 79 16.013 -1.240 3.957 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.579 0.338 2.492 1.00 0.00 O ATOM 0 H ASP A 79 15.261 2.866 6.450 1.00 0.00 H new ATOM 0 HA ASP A 79 14.311 1.520 3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.842 1.890 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.684 0.651 5.656 1.00 0.00 H new ATOM 1153 N ALA A 80 13.503 -0.588 5.299 1.00 0.00 N ATOM 1154 CA ALA A 80 12.948 -1.713 6.021 1.00 0.00 C ATOM 1155 C ALA A 80 12.972 -2.896 5.063 1.00 0.00 C ATOM 1156 O ALA A 80 12.520 -2.777 3.929 1.00 0.00 O ATOM 1157 CB ALA A 80 11.520 -1.401 6.482 1.00 0.00 C ATOM 0 H ALA A 80 13.362 -0.646 4.290 1.00 0.00 H new ATOM 0 HA ALA A 80 13.526 -1.934 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.117 -2.257 7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.531 -0.530 7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.894 -1.194 5.614 1.00 0.00 H new ATOM 1163 N ASN A 81 13.432 -4.058 5.529 1.00 0.00 N ATOM 1164 CA ASN A 81 13.500 -5.305 4.758 1.00 0.00 C ATOM 1165 C ASN A 81 14.290 -5.177 3.438 1.00 0.00 C ATOM 1166 O ASN A 81 14.092 -5.997 2.537 1.00 0.00 O ATOM 1167 CB ASN A 81 12.082 -5.894 4.561 1.00 0.00 C ATOM 1168 CG ASN A 81 11.419 -6.250 5.885 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.996 -6.979 6.688 1.00 0.00 O ATOM 1170 ND2 ASN A 81 10.228 -5.753 6.175 1.00 0.00 N ATOM 0 H ASN A 81 13.779 -4.163 6.483 1.00 0.00 H new ATOM 0 HA ASN A 81 14.080 -6.016 5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.462 -5.173 4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.144 -6.785 3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.786 -5.975 7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.751 -5.148 5.506 1.00 0.00 H new ATOM 1177 N GLY A 82 15.211 -4.206 3.321 1.00 0.00 N ATOM 1178 CA GLY A 82 16.004 -3.959 2.114 1.00 0.00 C ATOM 1179 C GLY A 82 15.263 -3.090 1.096 1.00 0.00 C ATOM 1180 O GLY A 82 15.668 -2.997 -0.066 1.00 0.00 O ATOM 0 H GLY A 82 15.426 -3.560 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.939 -3.472 2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.265 -4.912 1.653 1.00 0.00 H new ATOM 1184 N ILE A 83 14.144 -2.500 1.505 1.00 0.00 N ATOM 1185 CA ILE A 83 13.270 -1.685 0.694 1.00 0.00 C ATOM 1186 C ILE A 83 13.533 -0.271 1.182 1.00 0.00 C ATOM 1187 O ILE A 83 13.346 0.024 2.364 1.00 0.00 O ATOM 1188 CB ILE A 83 11.802 -2.121 0.882 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.629 -3.639 0.653 1.00 0.00 C ATOM 1190 CG2 ILE A 83 10.920 -1.306 -0.072 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.273 -4.159 1.123 1.00 0.00 C ATOM 0 H ILE A 83 13.812 -2.588 2.465 1.00 0.00 H new ATOM 0 HA ILE A 83 13.454 -1.775 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 83 11.497 -1.927 1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.748 -3.857 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.420 -4.173 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 83 9.879 -1.604 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.022 -0.245 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.231 -1.489 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.210 -5.231 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.161 -3.969 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.479 -3.648 0.578 1.00 0.00 H new ATOM 1203 N GLN A 84 13.883 0.616 0.260 1.00 0.00 N ATOM 1204 CA GLN A 84 14.295 1.963 0.583 1.00 0.00 C ATOM 1205 C GLN A 84 13.142 2.907 0.272 1.00 0.00 C ATOM 1206 O GLN A 84 12.648 2.920 -0.859 1.00 0.00 O ATOM 1207 CB GLN A 84 15.537 2.257 -0.277 1.00 0.00 C ATOM 1208 CG GLN A 84 16.114 3.671 -0.137 1.00 0.00 C ATOM 1209 CD GLN A 84 16.636 4.049 1.249 1.00 0.00 C ATOM 1210 OE1 GLN A 84 16.793 5.233 1.535 1.00 0.00 O ATOM 1211 NE2 GLN A 84 16.960 3.110 2.122 1.00 0.00 N ATOM 0 H GLN A 84 13.887 0.413 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 84 14.546 2.092 1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.315 1.538 -0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.282 2.089 -1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 84 16.929 3.782 -0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.342 4.386 -0.420 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.830 2.126 1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.340 3.369 3.032 1.00 0.00 H new ATOM 1220 N SER A 85 12.678 3.661 1.275 1.00 0.00 N ATOM 1221 CA SER A 85 11.681 4.693 1.069 1.00 0.00 C ATOM 1222 C SER A 85 12.393 6.035 1.153 1.00 0.00 C ATOM 1223 O SER A 85 13.283 6.214 1.985 1.00 0.00 O ATOM 1224 CB SER A 85 10.469 4.554 1.992 1.00 0.00 C ATOM 1225 OG SER A 85 10.648 5.044 3.306 1.00 0.00 O ATOM 0 H SER A 85 12.987 3.567 2.243 1.00 0.00 H new ATOM 0 HA SER A 85 11.232 4.595 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.627 5.077 1.539 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.196 3.500 2.049 1.00 0.00 H new ATOM 0 HG SER A 85 11.415 4.596 3.721 1.00 0.00 H new ATOM 1231 N GLN A 86 12.002 6.983 0.301 1.00 0.00 N ATOM 1232 CA GLN A 86 12.676 8.269 0.177 1.00 0.00 C ATOM 1233 C GLN A 86 11.681 9.427 0.116 1.00 0.00 C ATOM 1234 O GLN A 86 10.598 9.282 -0.452 1.00 0.00 O ATOM 1235 CB GLN A 86 13.604 8.207 -1.042 1.00 0.00 C ATOM 1236 CG GLN A 86 12.901 7.919 -2.377 1.00 0.00 C ATOM 1237 CD GLN A 86 13.674 6.895 -3.200 1.00 0.00 C ATOM 1238 OE1 GLN A 86 14.711 7.216 -3.781 1.00 0.00 O ATOM 1239 NE2 GLN A 86 13.196 5.666 -3.273 1.00 0.00 N ATOM 0 H GLN A 86 11.204 6.876 -0.325 1.00 0.00 H new ATOM 0 HA GLN A 86 13.278 8.464 1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.135 9.156 -1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.355 7.436 -0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.893 7.550 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.801 8.844 -2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.335 5.424 -2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.688 4.959 -3.819 1.00 0.00 H new ATOM 1248 N MET A 87 12.023 10.565 0.720 1.00 0.00 N ATOM 1249 CA MET A 87 11.164 11.741 0.780 1.00 0.00 C ATOM 1250 C MET A 87 10.865 12.314 -0.618 1.00 0.00 C ATOM 1251 O MET A 87 11.522 11.960 -1.603 1.00 0.00 O ATOM 1252 CB MET A 87 11.766 12.763 1.767 1.00 0.00 C ATOM 1253 CG MET A 87 13.040 13.485 1.306 1.00 0.00 C ATOM 1254 SD MET A 87 12.830 14.786 0.051 1.00 0.00 S ATOM 1255 CE MET A 87 11.831 16.004 0.952 1.00 0.00 C ATOM 0 H MET A 87 12.920 10.695 1.188 1.00 0.00 H new ATOM 0 HA MET A 87 10.185 11.457 1.166 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.007 13.514 1.987 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.984 12.248 2.702 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.516 13.929 2.181 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.730 12.739 0.912 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.833 16.949 0.409 1.00 0.00 H new ATOM 0 HE2 MET A 87 10.808 15.640 1.042 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.251 16.155 1.946 1.00 0.00 H new ATOM 1265 N LEU A 88 9.867 13.205 -0.717 1.00 0.00 N ATOM 1266 CA LEU A 88 9.381 13.758 -1.983 1.00 0.00 C ATOM 1267 C LEU A 88 9.088 15.247 -1.870 1.00 0.00 C ATOM 1268 O LEU A 88 9.006 15.813 -0.776 1.00 0.00 O ATOM 1269 CB LEU A 88 8.090 13.094 -2.477 1.00 0.00 C ATOM 1270 CG LEU A 88 8.031 11.561 -2.392 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.382 11.104 -1.090 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.198 11.079 -3.568 1.00 0.00 C ATOM 0 H LEU A 88 9.369 13.566 0.097 1.00 0.00 H new ATOM 0 HA LEU A 88 10.187 13.565 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.257 13.500 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.933 13.384 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 88 9.040 11.150 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.355 10.015 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.961 11.476 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.366 11.494 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.131 9.991 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.197 11.506 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.668 11.394 -4.500 1.00 0.00 H new ATOM 1284 N SER A 89 8.790 15.847 -3.015 1.00 0.00 N ATOM 1285 CA SER A 89 8.519 17.250 -3.217 1.00 0.00 C ATOM 1286 C SER A 89 7.039 17.495 -3.528 1.00 0.00 C ATOM 1287 O SER A 89 6.671 17.652 -4.688 1.00 0.00 O ATOM 1288 CB SER A 89 9.444 17.725 -4.348 1.00 0.00 C ATOM 1289 OG SER A 89 9.536 16.766 -5.390 1.00 0.00 O ATOM 0 H SER A 89 8.729 15.320 -3.886 1.00 0.00 H new ATOM 0 HA SER A 89 8.719 17.821 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.071 18.666 -4.752 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.438 17.922 -3.946 1.00 0.00 H new ATOM 0 HG SER A 89 10.131 17.102 -6.093 1.00 0.00 H new ATOM 1295 N ARG A 90 6.164 17.524 -2.512 1.00 0.00 N ATOM 1296 CA ARG A 90 4.751 17.896 -2.714 1.00 0.00 C ATOM 1297 C ARG A 90 4.022 16.964 -3.691 1.00 0.00 C ATOM 1298 O ARG A 90 3.610 17.392 -4.777 1.00 0.00 O ATOM 1299 CB ARG A 90 4.612 19.400 -3.026 1.00 0.00 C ATOM 1300 CG ARG A 90 3.146 19.886 -3.134 1.00 0.00 C ATOM 1301 CD ARG A 90 2.886 20.741 -4.384 1.00 0.00 C ATOM 1302 NE ARG A 90 3.250 20.033 -5.624 1.00 0.00 N ATOM 1303 CZ ARG A 90 3.024 20.427 -6.879 1.00 0.00 C ATOM 1304 NH1 ARG A 90 2.354 21.547 -7.118 1.00 0.00 N ATOM 1305 NH2 ARG A 90 3.455 19.693 -7.896 1.00 0.00 N ATOM 0 H ARG A 90 6.405 17.296 -1.547 1.00 0.00 H new ATOM 0 HA ARG A 90 4.224 17.741 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.117 19.971 -2.247 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.126 19.616 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.483 19.021 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.895 20.466 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.832 21.018 -4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.457 21.667 -4.315 1.00 0.00 H new ATOM 0 HE ARG A 90 3.729 19.140 -5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.009 22.111 -6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.184 21.844 -8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.961 18.825 -7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.281 19.997 -8.854 1.00 0.00 H new ATOM 1319 N TRP A 91 3.920 15.680 -3.360 1.00 0.00 N ATOM 1320 CA TRP A 91 3.161 14.751 -4.183 1.00 0.00 C ATOM 1321 C TRP A 91 1.693 14.874 -3.775 1.00 0.00 C ATOM 1322 O TRP A 91 1.322 14.566 -2.641 1.00 0.00 O ATOM 1323 CB TRP A 91 3.688 13.321 -4.024 1.00 0.00 C ATOM 1324 CG TRP A 91 3.603 12.501 -5.271 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.482 11.959 -5.792 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.677 12.122 -6.176 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.789 11.269 -6.947 1.00 0.00 N ATOM 1328 CE2 TRP A 91 4.145 11.290 -7.202 1.00 0.00 C ATOM 1329 CE3 TRP A 91 6.058 12.385 -6.214 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.961 10.706 -8.182 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.900 11.731 -7.126 1.00 0.00 C ATOM 1332 CH2 TRP A 91 6.354 10.891 -8.114 1.00 0.00 C ATOM 0 H TRP A 91 4.350 15.264 -2.534 1.00 0.00 H new ATOM 0 HA TRP A 91 3.268 14.993 -5.240 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.727 13.362 -3.698 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.125 12.823 -3.234 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.493 12.051 -5.368 1.00 0.00 H new ATOM 0 HE1 TRP A 91 2.101 10.802 -7.538 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.479 13.105 -5.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.525 10.122 -8.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.969 11.873 -7.070 1.00 0.00 H new ATOM 0 HH2 TRP A 91 7.002 10.390 -8.818 1.00 0.00 H new ATOM 1343 N SER A 92 0.836 15.339 -4.681 1.00 0.00 N ATOM 1344 CA SER A 92 -0.592 15.517 -4.442 1.00 0.00 C ATOM 1345 C SER A 92 -1.364 14.187 -4.537 1.00 0.00 C ATOM 1346 O SER A 92 -2.525 14.169 -4.953 1.00 0.00 O ATOM 1347 CB SER A 92 -1.115 16.577 -5.420 1.00 0.00 C ATOM 1348 OG SER A 92 -0.676 17.862 -5.011 1.00 0.00 O ATOM 0 H SER A 92 1.123 15.608 -5.622 1.00 0.00 H new ATOM 0 HA SER A 92 -0.754 15.865 -3.422 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.758 16.364 -6.428 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.204 16.548 -5.455 1.00 0.00 H new ATOM 0 HG SER A 92 -1.010 18.537 -5.638 1.00 0.00 H new ATOM 1354 N ALA A 93 -0.754 13.068 -4.134 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.338 11.744 -4.141 1.00 0.00 C ATOM 1356 C ALA A 93 -0.494 10.880 -3.202 1.00 0.00 C ATOM 1357 O ALA A 93 0.681 10.626 -3.481 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.389 11.180 -5.566 1.00 0.00 C ATOM 0 H ALA A 93 0.203 13.072 -3.780 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.371 11.764 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.832 10.184 -5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.993 11.834 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.378 11.120 -5.970 1.00 0.00 H new ATOM 1364 N SER A 94 -1.071 10.463 -2.081 1.00 0.00 N ATOM 1365 CA SER A 94 -0.413 9.611 -1.095 1.00 0.00 C ATOM 1366 C SER A 94 -1.343 8.488 -0.612 1.00 0.00 C ATOM 1367 O SER A 94 -2.528 8.431 -0.969 1.00 0.00 O ATOM 1368 CB SER A 94 0.070 10.463 0.093 1.00 0.00 C ATOM 1369 OG SER A 94 0.610 11.727 -0.260 1.00 0.00 O ATOM 0 H SER A 94 -2.027 10.712 -1.826 1.00 0.00 H new ATOM 0 HA SER A 94 0.447 9.141 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.767 10.619 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.826 9.901 0.641 1.00 0.00 H new ATOM 0 HG SER A 94 -0.010 12.435 0.013 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.807 7.571 0.191 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.526 6.506 0.867 1.00 0.00 C ATOM 1377 C PHE A 95 -0.733 6.061 2.093 1.00 0.00 C ATOM 1378 O PHE A 95 0.373 6.535 2.339 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.837 5.343 -0.099 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.664 4.500 -0.575 1.00 0.00 C ATOM 1381 CD1 PHE A 95 0.119 4.918 -1.669 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.397 3.254 0.028 1.00 0.00 C ATOM 1383 CE1 PHE A 95 1.158 4.101 -2.152 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.616 2.422 -0.480 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.391 2.841 -1.575 1.00 0.00 C ATOM 0 H PHE A 95 0.192 7.555 0.395 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.492 6.876 1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.552 4.681 0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.333 5.757 -0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.079 5.870 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.974 2.937 0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.778 4.443 -2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.799 1.459 -0.028 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.162 2.197 -1.971 1.00 0.00 H new ATOM 1395 N THR A 96 -1.316 5.182 2.894 1.00 0.00 N ATOM 1396 CA THR A 96 -0.697 4.540 4.037 1.00 0.00 C ATOM 1397 C THR A 96 -1.302 3.132 4.080 1.00 0.00 C ATOM 1398 O THR A 96 -2.469 2.936 3.723 1.00 0.00 O ATOM 1399 CB THR A 96 -0.893 5.404 5.302 1.00 0.00 C ATOM 1400 OG1 THR A 96 -0.280 4.815 6.430 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.364 5.712 5.600 1.00 0.00 C ATOM 0 H THR A 96 -2.282 4.884 2.755 1.00 0.00 H new ATOM 0 HA THR A 96 0.387 4.444 3.970 1.00 0.00 H new ATOM 0 HB THR A 96 -0.404 6.354 5.089 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.694 4.847 6.327 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.433 6.322 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.800 6.254 4.761 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.908 4.779 5.751 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.475 2.131 4.369 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.861 0.727 4.337 1.00 0.00 C ATOM 1411 C VAL A 97 -0.997 0.165 5.764 1.00 0.00 C ATOM 1412 O VAL A 97 -0.461 0.747 6.714 1.00 0.00 O ATOM 1413 CB VAL A 97 0.087 0.012 3.360 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.490 -0.226 3.904 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.478 -1.313 2.887 1.00 0.00 C ATOM 0 H VAL A 97 0.498 2.277 4.636 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.862 0.558 3.941 1.00 0.00 H new ATOM 0 HB VAL A 97 0.171 0.706 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.091 -0.735 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.951 0.730 4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.433 -0.844 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.224 -1.783 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.639 -1.967 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.426 -1.143 2.377 1.00 0.00 H new ATOM 1425 N THR A 98 -1.695 -0.960 5.906 1.00 0.00 N ATOM 1426 CA THR A 98 -2.091 -1.649 7.135 1.00 0.00 C ATOM 1427 C THR A 98 -2.387 -3.131 6.828 1.00 0.00 C ATOM 1428 O THR A 98 -2.398 -3.517 5.653 1.00 0.00 O ATOM 1429 CB THR A 98 -3.369 -0.970 7.685 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.244 -0.607 6.632 1.00 0.00 O ATOM 1431 CG2 THR A 98 -3.122 0.296 8.509 1.00 0.00 C ATOM 0 H THR A 98 -2.031 -1.462 5.084 1.00 0.00 H new ATOM 0 HA THR A 98 -1.288 -1.593 7.870 1.00 0.00 H new ATOM 0 HB THR A 98 -3.801 -1.725 8.341 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.629 0.275 6.816 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.075 0.699 8.851 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.501 0.054 9.371 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.614 1.038 7.893 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.616 -3.949 7.865 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.046 -5.344 7.736 1.00 0.00 C ATOM 1441 C LEU A 99 -4.524 -5.361 7.339 1.00 0.00 C ATOM 1442 O LEU A 99 -5.264 -4.434 7.689 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.911 -6.141 9.054 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.527 -6.197 9.731 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.436 -7.388 10.688 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -0.374 -6.343 8.747 1.00 0.00 C ATOM 0 H LEU A 99 -2.505 -3.652 8.834 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.404 -5.811 6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.616 -5.721 9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.228 -7.165 8.858 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.435 -5.245 10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.451 -7.406 11.153 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.200 -7.294 11.460 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.593 -8.313 10.133 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.569 -6.376 9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.496 -7.265 8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.368 -5.493 8.064 1.00 0.00 H new ATOM 1458 N GLU A 100 -4.971 -6.416 6.654 1.00 0.00 N ATOM 1459 CA GLU A 100 -6.381 -6.609 6.331 1.00 0.00 C ATOM 1460 C GLU A 100 -7.129 -7.000 7.600 1.00 0.00 C ATOM 1461 O GLU A 100 -7.602 -6.080 8.303 1.00 0.00 O ATOM 1462 CB GLU A 100 -6.572 -7.588 5.155 1.00 0.00 C ATOM 1463 CG GLU A 100 -7.975 -7.386 4.546 1.00 0.00 C ATOM 1464 CD GLU A 100 -8.447 -8.491 3.586 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -7.715 -9.475 3.329 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -9.632 -8.427 3.164 1.00 0.00 O ATOM 1467 OXT GLU A 100 -7.238 -8.202 7.914 1.00 0.00 O ATOM 0 H GLU A 100 -4.363 -7.159 6.309 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.814 -5.675 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -5.806 -7.419 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.457 -8.616 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.696 -7.303 5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.986 -6.436 4.012 1.00 0.00 H new TER 1474 GLU A 100