USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 881 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 81 SER OG : rot -150:sc= 1.03 USER MOD Set 1.2: A 84 GLN : amide:sc= 1.05 X(o=2.1,f=2.4) USER MOD Set 2.1: A 58 HIS : no HD1:sc= -5.08! K(o=-8.3!,f=-3) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -3.22 K(o=-8.3,f=-3) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 16:sc= 1.19 USER MOD Single : A 10 SER OG : rot 13:sc= 0.794 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 25:sc= -0.355! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc=0.000331 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 45 SER OG : rot -60:sc= 0.305 USER MOD Single : A 53 ASN : amide:sc= -2.28! C(o=-2.3!,f=-12!) USER MOD Single : A 55 SER OG : rot 15:sc= 1.47 USER MOD Single : A 64 SER OG : rot -150:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 74 SER OG : rot 180:sc= -1.74! USER MOD Single : A 75 SER OG : rot 99:sc= 0.905 USER MOD Single : A 80 MET CE :methyl 146:sc= -4.73! (180deg=-6.07!) USER MOD Single : A 86 HIS : no HD1:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.965 X(o=-0.96,f=-0.5) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-1.3) USER MOD Single : A 107 GLN : amide:sc= -0.617 K(o=-0.62,f=-0.059) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -160:sc= -0.672 USER MOD Single : A 113 GLN : amide:sc= -0.0823 X(o=-0.082,f=0) USER MOD Single : A 117 ASN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.426 K(o=-0.43,f=-2.7!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 6 24.306 1.702 -16.327 1.00 0.00 N ATOM 2 CA GLY A 6 23.302 2.129 -15.367 1.00 0.00 C ATOM 3 C GLY A 6 23.786 1.907 -13.932 1.00 0.00 C ATOM 4 O GLY A 6 24.970 2.065 -13.642 1.00 0.00 O ATOM 0 HA2 GLY A 6 23.074 3.184 -15.519 1.00 0.00 H new ATOM 0 HA3 GLY A 6 22.377 1.576 -15.532 1.00 0.00 H new ATOM 8 N SER A 7 22.844 1.544 -13.073 1.00 0.00 N ATOM 9 CA SER A 7 23.160 1.299 -11.676 1.00 0.00 C ATOM 10 C SER A 7 23.823 2.535 -11.065 1.00 0.00 C ATOM 11 O SER A 7 25.025 2.741 -11.223 1.00 0.00 O ATOM 12 CB SER A 7 24.070 0.079 -11.523 1.00 0.00 C ATOM 13 OG SER A 7 24.607 -0.025 -10.207 1.00 0.00 O ATOM 0 H SER A 7 21.862 1.414 -13.318 1.00 0.00 H new ATOM 0 HA SER A 7 22.230 1.094 -11.146 1.00 0.00 H new ATOM 0 HB2 SER A 7 23.507 -0.825 -11.757 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.886 0.142 -12.243 1.00 0.00 H new ATOM 0 HG SER A 7 25.181 -0.817 -10.150 1.00 0.00 H new ATOM 19 N SER A 8 23.009 3.326 -10.380 1.00 0.00 N ATOM 20 CA SER A 8 23.501 4.536 -9.745 1.00 0.00 C ATOM 21 C SER A 8 22.876 4.690 -8.357 1.00 0.00 C ATOM 22 O SER A 8 21.733 5.129 -8.233 1.00 0.00 O ATOM 23 CB SER A 8 23.204 5.769 -10.601 1.00 0.00 C ATOM 24 OG SER A 8 21.815 6.088 -10.611 1.00 0.00 O ATOM 0 H SER A 8 22.012 3.152 -10.251 1.00 0.00 H new ATOM 0 HA SER A 8 24.583 4.452 -9.642 1.00 0.00 H new ATOM 0 HB2 SER A 8 23.769 6.620 -10.220 1.00 0.00 H new ATOM 0 HB3 SER A 8 23.543 5.592 -11.622 1.00 0.00 H new ATOM 0 HG SER A 8 21.367 5.621 -9.875 1.00 0.00 H new ATOM 30 N GLY A 9 23.652 4.321 -7.349 1.00 0.00 N ATOM 31 CA GLY A 9 23.188 4.412 -5.975 1.00 0.00 C ATOM 32 C GLY A 9 24.365 4.544 -5.006 1.00 0.00 C ATOM 33 O GLY A 9 24.772 5.654 -4.666 1.00 0.00 O ATOM 0 H GLY A 9 24.599 3.958 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 9 22.526 5.271 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 9 22.604 3.526 -5.725 1.00 0.00 H new ATOM 37 N SER A 10 24.878 3.396 -4.589 1.00 0.00 N ATOM 38 CA SER A 10 26.000 3.370 -3.666 1.00 0.00 C ATOM 39 C SER A 10 25.697 4.244 -2.448 1.00 0.00 C ATOM 40 O SER A 10 24.656 4.897 -2.392 1.00 0.00 O ATOM 41 CB SER A 10 27.286 3.839 -4.349 1.00 0.00 C ATOM 42 OG SER A 10 27.227 5.217 -4.710 1.00 0.00 O ATOM 0 H SER A 10 24.538 2.477 -4.873 1.00 0.00 H new ATOM 0 HA SER A 10 26.149 2.341 -3.338 1.00 0.00 H new ATOM 0 HB2 SER A 10 28.132 3.675 -3.681 1.00 0.00 H new ATOM 0 HB3 SER A 10 27.463 3.238 -5.241 1.00 0.00 H new ATOM 0 HG SER A 10 26.462 5.639 -4.266 1.00 0.00 H new ATOM 48 N SER A 11 26.624 4.228 -1.502 1.00 0.00 N ATOM 49 CA SER A 11 26.469 5.011 -0.288 1.00 0.00 C ATOM 50 C SER A 11 25.102 4.734 0.342 1.00 0.00 C ATOM 51 O SER A 11 24.129 5.426 0.049 1.00 0.00 O ATOM 52 CB SER A 11 26.630 6.505 -0.572 1.00 0.00 C ATOM 53 OG SER A 11 27.758 7.058 0.100 1.00 0.00 O ATOM 0 H SER A 11 27.486 3.685 -1.552 1.00 0.00 H new ATOM 0 HA SER A 11 27.251 4.716 0.412 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.736 6.660 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 11 25.728 7.032 -0.261 1.00 0.00 H new ATOM 0 HG SER A 11 27.827 8.013 -0.108 1.00 0.00 H new ATOM 59 N GLY A 12 25.074 3.721 1.195 1.00 0.00 N ATOM 60 CA GLY A 12 23.843 3.344 1.868 1.00 0.00 C ATOM 61 C GLY A 12 23.968 3.527 3.382 1.00 0.00 C ATOM 62 O GLY A 12 25.032 3.294 3.953 1.00 0.00 O ATOM 0 H GLY A 12 25.884 3.150 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.018 3.949 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 12 23.604 2.305 1.642 1.00 0.00 H new ATOM 66 N MET A 13 22.866 3.942 3.989 1.00 0.00 N ATOM 67 CA MET A 13 22.839 4.159 5.426 1.00 0.00 C ATOM 68 C MET A 13 21.535 3.639 6.034 1.00 0.00 C ATOM 69 O MET A 13 20.592 3.320 5.311 1.00 0.00 O ATOM 70 CB MET A 13 22.978 5.654 5.719 1.00 0.00 C ATOM 71 CG MET A 13 24.265 5.943 6.495 1.00 0.00 C ATOM 72 SD MET A 13 25.636 6.106 5.364 1.00 0.00 S ATOM 73 CE MET A 13 26.851 5.102 6.203 1.00 0.00 C ATOM 0 H MET A 13 21.985 4.134 3.512 1.00 0.00 H new ATOM 0 HA MET A 13 23.670 3.613 5.873 1.00 0.00 H new ATOM 0 HB2 MET A 13 22.980 6.213 4.783 1.00 0.00 H new ATOM 0 HB3 MET A 13 22.118 5.997 6.294 1.00 0.00 H new ATOM 0 HG2 MET A 13 24.151 6.858 7.076 1.00 0.00 H new ATOM 0 HG3 MET A 13 24.461 5.138 7.203 1.00 0.00 H new ATOM 0 HE1 MET A 13 27.777 5.095 5.628 1.00 0.00 H new ATOM 0 HE2 MET A 13 27.043 5.515 7.194 1.00 0.00 H new ATOM 0 HE3 MET A 13 26.476 4.083 6.301 1.00 0.00 H new ATOM 83 N ALA A 14 21.523 3.569 7.357 1.00 0.00 N ATOM 84 CA ALA A 14 20.351 3.093 8.071 1.00 0.00 C ATOM 85 C ALA A 14 19.277 4.183 8.064 1.00 0.00 C ATOM 86 O ALA A 14 18.210 4.004 7.480 1.00 0.00 O ATOM 87 CB ALA A 14 20.750 2.676 9.488 1.00 0.00 C ATOM 0 H ALA A 14 22.307 3.834 7.953 1.00 0.00 H new ATOM 0 HA ALA A 14 19.933 2.215 7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 14 19.870 2.319 10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.492 1.879 9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 14 21.172 3.532 10.014 1.00 0.00 H new ATOM 93 N THR A 15 19.598 5.288 8.721 1.00 0.00 N ATOM 94 CA THR A 15 18.674 6.407 8.798 1.00 0.00 C ATOM 95 C THR A 15 17.268 5.915 9.149 1.00 0.00 C ATOM 96 O THR A 15 17.093 4.772 9.567 1.00 0.00 O ATOM 97 CB THR A 15 18.738 7.165 7.471 1.00 0.00 C ATOM 98 OG1 THR A 15 18.363 6.194 6.498 1.00 0.00 O ATOM 99 CG2 THR A 15 20.168 7.548 7.084 1.00 0.00 C ATOM 0 H THR A 15 20.484 5.432 9.205 1.00 0.00 H new ATOM 0 HA THR A 15 18.952 7.095 9.596 1.00 0.00 H new ATOM 0 HB THR A 15 18.127 8.065 7.537 1.00 0.00 H new ATOM 0 HG1 THR A 15 17.818 5.499 6.923 1.00 0.00 H new ATOM 0 HG21 THR A 15 20.157 8.084 6.135 1.00 0.00 H new ATOM 0 HG22 THR A 15 20.595 8.187 7.857 1.00 0.00 H new ATOM 0 HG23 THR A 15 20.772 6.646 6.985 1.00 0.00 H new ATOM 107 N ARG A 16 16.302 6.803 8.967 1.00 0.00 N ATOM 108 CA ARG A 16 14.918 6.474 9.259 1.00 0.00 C ATOM 109 C ARG A 16 14.734 6.235 10.759 1.00 0.00 C ATOM 110 O ARG A 16 15.693 5.921 11.463 1.00 0.00 O ATOM 111 CB ARG A 16 14.475 5.226 8.493 1.00 0.00 C ATOM 112 CG ARG A 16 13.014 5.341 8.055 1.00 0.00 C ATOM 113 CD ARG A 16 12.491 4.001 7.532 1.00 0.00 C ATOM 114 NE ARG A 16 11.301 3.585 8.307 1.00 0.00 N ATOM 115 CZ ARG A 16 10.141 4.255 8.320 1.00 0.00 C ATOM 116 NH1 ARG A 16 10.007 5.377 7.601 1.00 0.00 N ATOM 117 NH2 ARG A 16 9.114 3.802 9.053 1.00 0.00 N ATOM 0 H ARG A 16 16.451 7.751 8.621 1.00 0.00 H new ATOM 0 HA ARG A 16 14.303 7.317 8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.111 5.087 7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 16 14.601 4.345 9.122 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.403 5.671 8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.922 6.100 7.278 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.235 4.088 6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.269 3.242 7.610 1.00 0.00 H new ATOM 0 HE ARG A 16 11.368 2.735 8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.788 5.722 7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.124 5.887 7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.216 2.947 9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.231 4.312 9.063 1.00 0.00 H new ATOM 131 N SER A 17 13.496 6.394 11.204 1.00 0.00 N ATOM 132 CA SER A 17 13.175 6.199 12.608 1.00 0.00 C ATOM 133 C SER A 17 11.978 5.256 12.745 1.00 0.00 C ATOM 134 O SER A 17 10.863 5.602 12.358 1.00 0.00 O ATOM 135 CB SER A 17 12.881 7.534 13.295 1.00 0.00 C ATOM 136 OG SER A 17 13.994 8.002 14.052 1.00 0.00 O ATOM 0 H SER A 17 12.704 6.656 10.617 1.00 0.00 H new ATOM 0 HA SER A 17 14.039 5.751 13.098 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.615 8.278 12.544 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.018 7.422 13.951 1.00 0.00 H new ATOM 0 HG SER A 17 13.767 8.857 14.473 1.00 0.00 H new ATOM 142 N CYS A 18 12.250 4.083 13.298 1.00 0.00 N ATOM 143 CA CYS A 18 11.210 3.087 13.491 1.00 0.00 C ATOM 144 C CYS A 18 10.242 3.605 14.557 1.00 0.00 C ATOM 145 O CYS A 18 10.554 4.552 15.277 1.00 0.00 O ATOM 146 CB CYS A 18 11.794 1.724 13.864 1.00 0.00 C ATOM 147 SG CYS A 18 12.616 1.820 15.496 1.00 0.00 S ATOM 0 H CYS A 18 13.176 3.800 13.619 1.00 0.00 H new ATOM 0 HA CYS A 18 10.671 2.933 12.556 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.003 0.975 13.890 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.509 1.406 13.106 1.00 0.00 H new ATOM 0 HG CYS A 18 13.106 0.656 15.804 1.00 0.00 H new ATOM 153 N VAL A 19 9.086 2.961 14.623 1.00 0.00 N ATOM 154 CA VAL A 19 8.070 3.344 15.589 1.00 0.00 C ATOM 155 C VAL A 19 7.605 4.772 15.294 1.00 0.00 C ATOM 156 O VAL A 19 8.417 5.639 14.973 1.00 0.00 O ATOM 157 CB VAL A 19 8.609 3.172 17.011 1.00 0.00 C ATOM 158 CG1 VAL A 19 7.646 3.772 18.038 1.00 0.00 C ATOM 159 CG2 VAL A 19 8.889 1.699 17.316 1.00 0.00 C ATOM 0 H VAL A 19 8.830 2.177 14.023 1.00 0.00 H new ATOM 0 HA VAL A 19 7.199 2.695 15.505 1.00 0.00 H new ATOM 0 HB VAL A 19 9.552 3.713 17.080 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.052 3.637 19.040 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.518 4.836 17.839 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.680 3.271 17.967 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.271 1.604 18.332 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.967 1.126 17.220 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.629 1.316 16.613 1.00 0.00 H new ATOM 169 N SER A 20 6.301 4.972 15.414 1.00 0.00 N ATOM 170 CA SER A 20 5.719 6.279 15.165 1.00 0.00 C ATOM 171 C SER A 20 5.283 6.919 16.485 1.00 0.00 C ATOM 172 O SER A 20 5.299 6.268 17.529 1.00 0.00 O ATOM 173 CB SER A 20 4.530 6.179 14.207 1.00 0.00 C ATOM 174 OG SER A 20 4.762 6.888 12.992 1.00 0.00 O ATOM 0 H SER A 20 5.631 4.250 15.680 1.00 0.00 H new ATOM 0 HA SER A 20 6.477 6.907 14.697 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.332 5.131 13.983 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.638 6.575 14.693 1.00 0.00 H new ATOM 0 HG SER A 20 3.981 6.799 12.407 1.00 0.00 H new ATOM 180 N ARG A 21 4.906 8.186 16.396 1.00 0.00 N ATOM 181 CA ARG A 21 4.467 8.920 17.570 1.00 0.00 C ATOM 182 C ARG A 21 3.052 9.462 17.359 1.00 0.00 C ATOM 183 O ARG A 21 2.145 9.159 18.133 1.00 0.00 O ATOM 184 CB ARG A 21 5.411 10.084 17.876 1.00 0.00 C ATOM 185 CG ARG A 21 6.429 9.697 18.951 1.00 0.00 C ATOM 186 CD ARG A 21 7.860 9.912 18.454 1.00 0.00 C ATOM 187 NE ARG A 21 8.763 10.153 19.601 1.00 0.00 N ATOM 188 CZ ARG A 21 10.083 10.360 19.489 1.00 0.00 C ATOM 189 NH1 ARG A 21 10.660 10.356 18.280 1.00 0.00 N ATOM 190 NH2 ARG A 21 10.824 10.570 20.585 1.00 0.00 N ATOM 0 H ARG A 21 4.896 8.723 15.529 1.00 0.00 H new ATOM 0 HA ARG A 21 4.473 8.230 18.414 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.933 10.382 16.967 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.834 10.946 18.210 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.259 10.291 19.849 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.290 8.652 19.229 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.195 9.038 17.894 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.893 10.760 17.770 1.00 0.00 H new ATOM 0 HE ARG A 21 8.356 10.162 20.536 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.095 10.196 17.446 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.664 10.513 18.194 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.384 10.572 21.505 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.828 10.727 20.499 1.00 0.00 H new ATOM 204 N GLY A 22 2.907 10.256 16.308 1.00 0.00 N ATOM 205 CA GLY A 22 1.618 10.843 15.985 1.00 0.00 C ATOM 206 C GLY A 22 0.570 9.758 15.727 1.00 0.00 C ATOM 207 O GLY A 22 -0.175 9.382 16.630 1.00 0.00 O ATOM 0 H GLY A 22 3.662 10.506 15.669 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.290 11.483 16.804 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.714 11.478 15.104 1.00 0.00 H new ATOM 211 N SER A 23 0.547 9.286 14.489 1.00 0.00 N ATOM 212 CA SER A 23 -0.396 8.252 14.100 1.00 0.00 C ATOM 213 C SER A 23 -1.829 8.755 14.285 1.00 0.00 C ATOM 214 O SER A 23 -2.286 8.940 15.412 1.00 0.00 O ATOM 215 CB SER A 23 -0.175 6.972 14.909 1.00 0.00 C ATOM 216 OG SER A 23 -0.798 5.843 14.302 1.00 0.00 O ATOM 0 H SER A 23 1.167 9.601 13.742 1.00 0.00 H new ATOM 0 HA SER A 23 -0.232 8.018 13.048 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.894 6.786 15.009 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.570 7.107 15.916 1.00 0.00 H new ATOM 0 HG SER A 23 -0.633 5.046 14.847 1.00 0.00 H new ATOM 222 N ALA A 24 -2.500 8.961 13.161 1.00 0.00 N ATOM 223 CA ALA A 24 -3.872 9.439 13.185 1.00 0.00 C ATOM 224 C ALA A 24 -4.803 8.328 12.695 1.00 0.00 C ATOM 225 O ALA A 24 -5.577 7.774 13.473 1.00 0.00 O ATOM 226 CB ALA A 24 -3.984 10.710 12.340 1.00 0.00 C ATOM 0 H ALA A 24 -2.119 8.806 12.228 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.172 9.696 14.201 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.013 11.069 12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.325 11.477 12.747 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.694 10.491 11.313 1.00 0.00 H new ATOM 232 N GLY A 25 -4.696 8.036 11.407 1.00 0.00 N ATOM 233 CA GLY A 25 -5.519 7.002 10.804 1.00 0.00 C ATOM 234 C GLY A 25 -6.930 7.520 10.518 1.00 0.00 C ATOM 235 O GLY A 25 -7.789 7.509 11.398 1.00 0.00 O ATOM 0 H GLY A 25 -4.052 8.497 10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.058 6.661 9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.572 6.141 11.470 1.00 0.00 H new ATOM 239 N SER A 26 -7.125 7.962 9.284 1.00 0.00 N ATOM 240 CA SER A 26 -8.417 8.483 8.872 1.00 0.00 C ATOM 241 C SER A 26 -8.437 8.693 7.357 1.00 0.00 C ATOM 242 O SER A 26 -8.172 9.793 6.875 1.00 0.00 O ATOM 243 CB SER A 26 -8.738 9.794 9.593 1.00 0.00 C ATOM 244 OG SER A 26 -10.121 9.901 9.917 1.00 0.00 O ATOM 0 H SER A 26 -6.410 7.970 8.557 1.00 0.00 H new ATOM 0 HA SER A 26 -9.181 7.754 9.142 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.146 9.860 10.506 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.447 10.635 8.963 1.00 0.00 H new ATOM 0 HG SER A 26 -10.284 10.751 10.377 1.00 0.00 H new ATOM 250 N ALA A 27 -8.754 7.620 6.647 1.00 0.00 N ATOM 251 CA ALA A 27 -8.812 7.672 5.196 1.00 0.00 C ATOM 252 C ALA A 27 -9.289 6.321 4.660 1.00 0.00 C ATOM 253 O ALA A 27 -9.543 5.397 5.432 1.00 0.00 O ATOM 254 CB ALA A 27 -7.441 8.068 4.644 1.00 0.00 C ATOM 0 H ALA A 27 -8.973 6.709 7.050 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.526 8.427 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.484 8.107 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.162 9.048 5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.698 7.332 4.951 1.00 0.00 H new ATOM 260 N ALA A 28 -9.396 6.248 3.341 1.00 0.00 N ATOM 261 CA ALA A 28 -9.838 5.025 2.693 1.00 0.00 C ATOM 262 C ALA A 28 -9.046 4.824 1.399 1.00 0.00 C ATOM 263 O ALA A 28 -9.612 4.866 0.308 1.00 0.00 O ATOM 264 CB ALA A 28 -11.347 5.093 2.448 1.00 0.00 C ATOM 0 H ALA A 28 -9.184 7.016 2.704 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.650 4.162 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.678 4.175 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.865 5.207 3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.574 5.945 1.807 1.00 0.00 H new ATOM 270 N ALA A 29 -7.749 4.610 1.564 1.00 0.00 N ATOM 271 CA ALA A 29 -6.873 4.402 0.423 1.00 0.00 C ATOM 272 C ALA A 29 -6.987 5.598 -0.525 1.00 0.00 C ATOM 273 O ALA A 29 -7.565 6.624 -0.170 1.00 0.00 O ATOM 274 CB ALA A 29 -7.230 3.080 -0.260 1.00 0.00 C ATOM 0 H ALA A 29 -7.283 4.576 2.471 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.834 4.333 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.573 2.924 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.106 2.260 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.266 3.113 -0.599 1.00 0.00 H new ATOM 280 N GLY A 30 -6.425 5.425 -1.713 1.00 0.00 N ATOM 281 CA GLY A 30 -6.455 6.477 -2.715 1.00 0.00 C ATOM 282 C GLY A 30 -6.114 5.925 -4.100 1.00 0.00 C ATOM 283 O GLY A 30 -6.081 4.711 -4.298 1.00 0.00 O ATOM 0 H GLY A 30 -5.947 4.572 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.443 6.936 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.746 7.260 -2.447 1.00 0.00 H new ATOM 287 N PRO A 31 -5.863 6.867 -5.048 1.00 0.00 N ATOM 288 CA PRO A 31 -5.526 6.487 -6.410 1.00 0.00 C ATOM 289 C PRO A 31 -4.089 5.968 -6.494 1.00 0.00 C ATOM 290 O PRO A 31 -3.764 5.169 -7.371 1.00 0.00 O ATOM 291 CB PRO A 31 -5.754 7.742 -7.236 1.00 0.00 C ATOM 292 CG PRO A 31 -5.761 8.896 -6.248 1.00 0.00 C ATOM 293 CD PRO A 31 -5.893 8.313 -4.850 1.00 0.00 C ATOM 0 HA PRO A 31 -6.138 5.665 -6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.967 7.869 -7.979 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.698 7.686 -7.778 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.843 9.477 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.588 9.574 -6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.078 8.642 -4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.822 8.629 -4.375 1.00 0.00 H new ATOM 301 N VAL A 32 -3.266 6.445 -5.571 1.00 0.00 N ATOM 302 CA VAL A 32 -1.872 6.039 -5.530 1.00 0.00 C ATOM 303 C VAL A 32 -1.778 4.602 -5.015 1.00 0.00 C ATOM 304 O VAL A 32 -1.340 3.707 -5.737 1.00 0.00 O ATOM 305 CB VAL A 32 -1.063 7.030 -4.689 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.411 6.623 -4.630 1.00 0.00 C ATOM 307 CG2 VAL A 32 -1.218 8.456 -5.222 1.00 0.00 C ATOM 0 H VAL A 32 -3.538 7.109 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.441 6.054 -6.531 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.457 7.008 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.963 7.343 -4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.497 5.633 -4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.823 6.603 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.633 9.140 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.863 8.500 -6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.268 8.745 -5.188 1.00 0.00 H new ATOM 317 N GLU A 33 -2.196 4.425 -3.770 1.00 0.00 N ATOM 318 CA GLU A 33 -2.165 3.111 -3.150 1.00 0.00 C ATOM 319 C GLU A 33 -2.749 2.062 -4.098 1.00 0.00 C ATOM 320 O GLU A 33 -2.273 0.929 -4.146 1.00 0.00 O ATOM 321 CB GLU A 33 -2.909 3.117 -1.813 1.00 0.00 C ATOM 322 CG GLU A 33 -3.305 1.699 -1.399 1.00 0.00 C ATOM 323 CD GLU A 33 -4.795 1.452 -1.646 1.00 0.00 C ATOM 324 OE1 GLU A 33 -5.298 1.982 -2.660 1.00 0.00 O ATOM 325 OE2 GLU A 33 -5.397 0.738 -0.815 1.00 0.00 O ATOM 0 H GLU A 33 -2.558 5.169 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.126 2.851 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.278 3.561 -1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.801 3.739 -1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.715 0.974 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.078 1.547 -0.344 1.00 0.00 H new ATOM 332 N ALA A 34 -3.774 2.477 -4.829 1.00 0.00 N ATOM 333 CA ALA A 34 -4.428 1.588 -5.773 1.00 0.00 C ATOM 334 C ALA A 34 -3.378 0.974 -6.701 1.00 0.00 C ATOM 335 O ALA A 34 -3.208 -0.244 -6.731 1.00 0.00 O ATOM 336 CB ALA A 34 -5.504 2.360 -6.540 1.00 0.00 C ATOM 0 H ALA A 34 -4.167 3.417 -4.786 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.924 0.770 -5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.995 1.693 -7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.241 2.751 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.043 3.187 -7.080 1.00 0.00 H new ATOM 342 N ALA A 35 -2.702 1.844 -7.436 1.00 0.00 N ATOM 343 CA ALA A 35 -1.674 1.403 -8.362 1.00 0.00 C ATOM 344 C ALA A 35 -0.595 0.637 -7.593 1.00 0.00 C ATOM 345 O ALA A 35 -0.123 -0.404 -8.048 1.00 0.00 O ATOM 346 CB ALA A 35 -1.108 2.611 -9.112 1.00 0.00 C ATOM 0 H ALA A 35 -2.846 2.853 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.094 0.725 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.336 2.279 -9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.908 3.103 -9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.676 3.313 -8.398 1.00 0.00 H new ATOM 352 N ILE A 36 -0.237 1.182 -6.439 1.00 0.00 N ATOM 353 CA ILE A 36 0.777 0.563 -5.603 1.00 0.00 C ATOM 354 C ILE A 36 0.390 -0.892 -5.332 1.00 0.00 C ATOM 355 O ILE A 36 1.213 -1.795 -5.481 1.00 0.00 O ATOM 356 CB ILE A 36 0.999 1.387 -4.332 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.434 2.814 -4.673 1.00 0.00 C ATOM 358 CG2 ILE A 36 1.991 0.694 -3.396 1.00 0.00 C ATOM 359 CD1 ILE A 36 1.388 3.711 -3.435 1.00 0.00 C ATOM 0 H ILE A 36 -0.631 2.045 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 36 1.738 0.547 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 36 0.050 1.458 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.445 2.802 -5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.783 3.222 -5.446 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.131 1.300 -2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.603 -0.285 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.947 0.572 -3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.702 4.719 -3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.371 3.740 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.059 3.314 -2.673 1.00 0.00 H new ATOM 371 N ARG A 37 -0.862 -1.075 -4.939 1.00 0.00 N ATOM 372 CA ARG A 37 -1.367 -2.405 -4.646 1.00 0.00 C ATOM 373 C ARG A 37 -1.599 -3.183 -5.943 1.00 0.00 C ATOM 374 O ARG A 37 -0.960 -4.207 -6.180 1.00 0.00 O ATOM 375 CB ARG A 37 -2.678 -2.336 -3.860 1.00 0.00 C ATOM 376 CG ARG A 37 -3.035 -3.700 -3.267 1.00 0.00 C ATOM 377 CD ARG A 37 -4.539 -3.964 -3.365 1.00 0.00 C ATOM 378 NE ARG A 37 -4.981 -4.801 -2.227 1.00 0.00 N ATOM 379 CZ ARG A 37 -6.252 -5.168 -2.014 1.00 0.00 C ATOM 380 NH1 ARG A 37 -7.214 -4.775 -2.860 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.561 -5.929 -0.955 1.00 0.00 N ATOM 0 H ARG A 37 -1.541 -0.324 -4.817 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.619 -2.917 -4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.588 -1.600 -3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.481 -1.999 -4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.490 -4.483 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.722 -3.740 -2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.083 -3.020 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.768 -4.464 -4.306 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.274 -5.118 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.979 -4.196 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.181 -5.055 -2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.829 -6.229 -0.311 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.528 -6.208 -0.793 1.00 0.00 H new ATOM 395 N ALA A 38 -2.515 -2.666 -6.750 1.00 0.00 N ATOM 396 CA ALA A 38 -2.839 -3.299 -8.017 1.00 0.00 C ATOM 397 C ALA A 38 -1.550 -3.782 -8.685 1.00 0.00 C ATOM 398 O ALA A 38 -1.536 -4.831 -9.328 1.00 0.00 O ATOM 399 CB ALA A 38 -3.617 -2.316 -8.894 1.00 0.00 C ATOM 0 H ALA A 38 -3.043 -1.816 -6.551 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.475 -4.170 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.860 -2.790 -9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.537 -2.026 -8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.008 -1.430 -9.076 1.00 0.00 H new ATOM 405 N LYS A 39 -0.499 -2.996 -8.509 1.00 0.00 N ATOM 406 CA LYS A 39 0.792 -3.331 -9.086 1.00 0.00 C ATOM 407 C LYS A 39 1.368 -4.549 -8.363 1.00 0.00 C ATOM 408 O LYS A 39 1.457 -5.633 -8.939 1.00 0.00 O ATOM 409 CB LYS A 39 1.718 -2.113 -9.072 1.00 0.00 C ATOM 410 CG LYS A 39 1.303 -1.096 -10.138 1.00 0.00 C ATOM 411 CD LYS A 39 2.084 -1.312 -11.435 1.00 0.00 C ATOM 412 CE LYS A 39 1.525 -0.443 -12.563 1.00 0.00 C ATOM 413 NZ LYS A 39 0.797 -1.275 -13.547 1.00 0.00 N ATOM 0 H LYS A 39 -0.515 -2.127 -7.975 1.00 0.00 H new ATOM 0 HA LYS A 39 0.680 -3.605 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.693 -1.644 -8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.746 -2.431 -9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.234 -1.185 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.477 -0.085 -9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.135 -1.074 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.036 -2.362 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.856 0.312 -12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.338 0.088 -13.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.424 -0.669 -14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.445 -1.979 -13.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.009 -1.762 -13.074 1.00 0.00 H new ATOM 427 N LEU A 40 1.746 -4.332 -7.112 1.00 0.00 N ATOM 428 CA LEU A 40 2.311 -5.399 -6.304 1.00 0.00 C ATOM 429 C LEU A 40 1.419 -6.638 -6.407 1.00 0.00 C ATOM 430 O LEU A 40 1.880 -7.758 -6.192 1.00 0.00 O ATOM 431 CB LEU A 40 2.537 -4.922 -4.868 1.00 0.00 C ATOM 432 CG LEU A 40 3.462 -3.714 -4.700 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.407 -3.176 -3.269 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.890 -4.053 -5.131 1.00 0.00 C ATOM 0 H LEU A 40 1.672 -3.432 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 40 3.294 -5.681 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.569 -4.677 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.946 -5.751 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 40 3.108 -2.919 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.073 -2.318 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.387 -2.870 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.721 -3.956 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.527 -3.178 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.270 -4.872 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.892 -4.352 -6.179 1.00 0.00 H new ATOM 446 N GLU A 41 0.159 -6.395 -6.736 1.00 0.00 N ATOM 447 CA GLU A 41 -0.801 -7.477 -6.871 1.00 0.00 C ATOM 448 C GLU A 41 -0.409 -8.394 -8.031 1.00 0.00 C ATOM 449 O GLU A 41 -0.480 -9.616 -7.913 1.00 0.00 O ATOM 450 CB GLU A 41 -2.218 -6.933 -7.057 1.00 0.00 C ATOM 451 CG GLU A 41 -2.932 -6.790 -5.711 1.00 0.00 C ATOM 452 CD GLU A 41 -4.449 -6.726 -5.899 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.883 -5.910 -6.741 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.141 -7.494 -5.197 1.00 0.00 O ATOM 0 H GLU A 41 -0.219 -5.464 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.790 -8.062 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.177 -5.965 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.786 -7.601 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.677 -7.633 -5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.586 -5.888 -5.206 1.00 0.00 H new ATOM 461 N GLN A 42 -0.004 -7.768 -9.127 1.00 0.00 N ATOM 462 CA GLN A 42 0.399 -8.512 -10.308 1.00 0.00 C ATOM 463 C GLN A 42 1.923 -8.502 -10.447 1.00 0.00 C ATOM 464 O GLN A 42 2.472 -9.132 -11.350 1.00 0.00 O ATOM 465 CB GLN A 42 -0.270 -7.951 -11.564 1.00 0.00 C ATOM 466 CG GLN A 42 0.167 -6.507 -11.820 1.00 0.00 C ATOM 467 CD GLN A 42 -0.335 -6.015 -13.179 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.182 -6.622 -13.814 1.00 0.00 O ATOM 469 NE2 GLN A 42 0.233 -4.885 -13.589 1.00 0.00 N ATOM 0 H GLN A 42 0.054 -6.754 -9.221 1.00 0.00 H new ATOM 0 HA GLN A 42 0.071 -9.545 -10.192 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.014 -8.570 -12.424 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.353 -7.992 -11.453 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.218 -5.861 -11.031 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.254 -6.441 -11.784 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.936 -4.428 -13.008 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.034 -4.475 -14.484 1.00 0.00 H new ATOM 478 N ALA A 43 2.563 -7.780 -9.539 1.00 0.00 N ATOM 479 CA ALA A 43 4.013 -7.679 -9.549 1.00 0.00 C ATOM 480 C ALA A 43 4.595 -8.658 -8.528 1.00 0.00 C ATOM 481 O ALA A 43 5.804 -8.882 -8.496 1.00 0.00 O ATOM 482 CB ALA A 43 4.426 -6.232 -9.272 1.00 0.00 C ATOM 0 H ALA A 43 2.104 -7.259 -8.791 1.00 0.00 H new ATOM 0 HA ALA A 43 4.410 -7.949 -10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.513 -6.156 -9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.012 -5.582 -10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.048 -5.926 -8.297 1.00 0.00 H new ATOM 488 N LEU A 44 3.707 -9.215 -7.717 1.00 0.00 N ATOM 489 CA LEU A 44 4.118 -10.165 -6.697 1.00 0.00 C ATOM 490 C LEU A 44 3.056 -11.259 -6.568 1.00 0.00 C ATOM 491 O LEU A 44 3.383 -12.445 -6.541 1.00 0.00 O ATOM 492 CB LEU A 44 4.418 -9.442 -5.382 1.00 0.00 C ATOM 493 CG LEU A 44 5.584 -8.451 -5.413 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.606 -7.592 -4.147 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.913 -9.175 -5.637 1.00 0.00 C ATOM 0 H LEU A 44 2.705 -9.027 -7.746 1.00 0.00 H new ATOM 0 HA LEU A 44 5.048 -10.655 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.521 -8.907 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.624 -10.191 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 44 5.438 -7.777 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.444 -6.896 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.674 -7.033 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.716 -8.234 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.725 -8.448 -5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.081 -9.886 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.882 -9.707 -6.588 1.00 0.00 H new ATOM 507 N SER A 45 1.808 -10.822 -6.493 1.00 0.00 N ATOM 508 CA SER A 45 0.697 -11.750 -6.368 1.00 0.00 C ATOM 509 C SER A 45 0.801 -12.517 -5.048 1.00 0.00 C ATOM 510 O SER A 45 0.864 -13.746 -5.044 1.00 0.00 O ATOM 511 CB SER A 45 0.658 -12.725 -7.547 1.00 0.00 C ATOM 512 OG SER A 45 1.554 -13.818 -7.365 1.00 0.00 O ATOM 0 H SER A 45 1.541 -9.838 -6.516 1.00 0.00 H new ATOM 0 HA SER A 45 -0.230 -11.176 -6.375 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.356 -13.104 -7.670 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.914 -12.195 -8.464 1.00 0.00 H new ATOM 0 HG SER A 45 2.470 -13.480 -7.286 1.00 0.00 H new ATOM 518 N PRO A 46 0.817 -11.741 -3.932 1.00 0.00 N ATOM 519 CA PRO A 46 0.913 -12.334 -2.609 1.00 0.00 C ATOM 520 C PRO A 46 -0.418 -12.965 -2.193 1.00 0.00 C ATOM 521 O PRO A 46 -1.381 -12.950 -2.958 1.00 0.00 O ATOM 522 CB PRO A 46 1.341 -11.195 -1.697 1.00 0.00 C ATOM 523 CG PRO A 46 1.019 -9.915 -2.451 1.00 0.00 C ATOM 524 CD PRO A 46 0.744 -10.283 -3.900 1.00 0.00 C ATOM 0 HA PRO A 46 1.632 -13.152 -2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.808 -11.234 -0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.405 -11.256 -1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.152 -9.421 -2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.852 -9.215 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.236 -9.928 -4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.479 -9.835 -4.569 1.00 0.00 H new ATOM 532 N GLU A 47 -0.428 -13.504 -0.983 1.00 0.00 N ATOM 533 CA GLU A 47 -1.624 -14.139 -0.457 1.00 0.00 C ATOM 534 C GLU A 47 -2.431 -13.142 0.377 1.00 0.00 C ATOM 535 O GLU A 47 -3.637 -13.307 0.553 1.00 0.00 O ATOM 536 CB GLU A 47 -1.270 -15.380 0.364 1.00 0.00 C ATOM 537 CG GLU A 47 -0.484 -16.388 -0.477 1.00 0.00 C ATOM 538 CD GLU A 47 -1.341 -17.612 -0.808 1.00 0.00 C ATOM 539 OE1 GLU A 47 -2.059 -18.066 0.108 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.257 -18.066 -1.970 1.00 0.00 O ATOM 0 H GLU A 47 0.373 -13.514 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.239 -14.463 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.681 -15.089 1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.182 -15.846 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.149 -15.914 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.409 -16.700 0.064 1.00 0.00 H new ATOM 547 N VAL A 48 -1.733 -12.129 0.869 1.00 0.00 N ATOM 548 CA VAL A 48 -2.369 -11.105 1.680 1.00 0.00 C ATOM 549 C VAL A 48 -1.704 -9.755 1.404 1.00 0.00 C ATOM 550 O VAL A 48 -0.568 -9.523 1.816 1.00 0.00 O ATOM 551 CB VAL A 48 -2.323 -11.504 3.156 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.128 -10.525 4.014 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.816 -12.939 3.353 1.00 0.00 C ATOM 0 H VAL A 48 -0.733 -11.996 0.721 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.422 -11.008 1.416 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.284 -11.460 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.079 -10.832 5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.712 -9.523 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.167 -10.522 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.773 -13.197 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.844 -13.022 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.183 -13.622 2.787 1.00 0.00 H new ATOM 563 N LEU A 49 -2.440 -8.900 0.710 1.00 0.00 N ATOM 564 CA LEU A 49 -1.935 -7.579 0.374 1.00 0.00 C ATOM 565 C LEU A 49 -2.854 -6.517 0.982 1.00 0.00 C ATOM 566 O LEU A 49 -3.926 -6.238 0.445 1.00 0.00 O ATOM 567 CB LEU A 49 -1.754 -7.443 -1.139 1.00 0.00 C ATOM 568 CG LEU A 49 -0.359 -7.033 -1.613 1.00 0.00 C ATOM 569 CD1 LEU A 49 -0.200 -7.267 -3.117 1.00 0.00 C ATOM 570 CD2 LEU A 49 -0.050 -5.586 -1.223 1.00 0.00 C ATOM 0 H LEU A 49 -3.382 -9.096 0.371 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.945 -7.429 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.008 -8.396 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.471 -6.709 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 49 0.372 -7.665 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.801 -6.967 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.347 -8.324 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.940 -6.677 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.948 -5.320 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.783 -4.921 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.094 -5.484 -0.139 1.00 0.00 H new ATOM 582 N GLU A 50 -2.402 -5.954 2.092 1.00 0.00 N ATOM 583 CA GLU A 50 -3.170 -4.929 2.778 1.00 0.00 C ATOM 584 C GLU A 50 -2.417 -3.598 2.756 1.00 0.00 C ATOM 585 O GLU A 50 -1.253 -3.532 3.147 1.00 0.00 O ATOM 586 CB GLU A 50 -3.492 -5.353 4.213 1.00 0.00 C ATOM 587 CG GLU A 50 -4.691 -6.303 4.248 1.00 0.00 C ATOM 588 CD GLU A 50 -6.008 -5.525 4.199 1.00 0.00 C ATOM 589 OE1 GLU A 50 -6.436 -5.203 3.070 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.557 -5.270 5.293 1.00 0.00 O ATOM 0 H GLU A 50 -1.513 -6.188 2.534 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.116 -4.798 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.624 -5.841 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.704 -4.471 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.639 -6.991 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.655 -6.907 5.155 1.00 0.00 H new ATOM 597 N LEU A 51 -3.113 -2.568 2.296 1.00 0.00 N ATOM 598 CA LEU A 51 -2.525 -1.242 2.218 1.00 0.00 C ATOM 599 C LEU A 51 -3.422 -0.247 2.957 1.00 0.00 C ATOM 600 O LEU A 51 -4.646 -0.348 2.899 1.00 0.00 O ATOM 601 CB LEU A 51 -2.253 -0.861 0.761 1.00 0.00 C ATOM 602 CG LEU A 51 -1.027 0.021 0.516 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.709 0.114 -0.978 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.210 1.401 1.150 1.00 0.00 C ATOM 0 H LEU A 51 -4.079 -2.626 1.974 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.554 -1.226 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.138 -1.777 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.131 -0.345 0.371 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.168 -0.444 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.166 0.747 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.506 -0.883 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.560 0.545 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.325 2.008 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.083 1.888 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.353 1.291 2.225 1.00 0.00 H new ATOM 616 N ARG A 52 -2.777 0.692 3.633 1.00 0.00 N ATOM 617 CA ARG A 52 -3.501 1.705 4.383 1.00 0.00 C ATOM 618 C ARG A 52 -2.621 2.938 4.596 1.00 0.00 C ATOM 619 O ARG A 52 -1.395 2.842 4.570 1.00 0.00 O ATOM 620 CB ARG A 52 -3.952 1.167 5.742 1.00 0.00 C ATOM 621 CG ARG A 52 -5.363 1.651 6.083 1.00 0.00 C ATOM 622 CD ARG A 52 -6.418 0.837 5.332 1.00 0.00 C ATOM 623 NE ARG A 52 -7.421 0.308 6.283 1.00 0.00 N ATOM 624 CZ ARG A 52 -7.219 -0.756 7.072 1.00 0.00 C ATOM 625 NH1 ARG A 52 -6.051 -1.411 7.028 1.00 0.00 N ATOM 626 NH2 ARG A 52 -8.186 -1.166 7.905 1.00 0.00 N ATOM 0 H ARG A 52 -1.761 0.773 3.677 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.382 1.980 3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.930 0.077 5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.256 1.492 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.530 1.567 7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.462 2.706 5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.907 1.462 4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.942 0.015 4.798 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.322 0.783 6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.315 -1.100 6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.898 -2.221 7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.076 -0.668 7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.032 -1.976 8.506 1.00 0.00 H new ATOM 640 N ASN A 53 -3.281 4.068 4.803 1.00 0.00 N ATOM 641 CA ASN A 53 -2.573 5.319 5.020 1.00 0.00 C ATOM 642 C ASN A 53 -2.434 5.566 6.524 1.00 0.00 C ATOM 643 O ASN A 53 -3.341 5.253 7.294 1.00 0.00 O ATOM 644 CB ASN A 53 -3.340 6.497 4.416 1.00 0.00 C ATOM 645 CG ASN A 53 -2.478 7.762 4.402 1.00 0.00 C ATOM 646 OD1 ASN A 53 -1.635 7.979 5.257 1.00 0.00 O ATOM 647 ND2 ASN A 53 -2.736 8.580 3.386 1.00 0.00 N ATOM 0 H ASN A 53 -4.298 4.144 4.825 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.596 5.242 4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.649 6.252 3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.248 6.678 4.991 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.214 9.451 3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.456 8.337 2.705 1.00 0.00 H new ATOM 654 N GLU A 54 -1.293 6.125 6.896 1.00 0.00 N ATOM 655 CA GLU A 54 -1.023 6.418 8.294 1.00 0.00 C ATOM 656 C GLU A 54 -0.980 7.930 8.521 1.00 0.00 C ATOM 657 O GLU A 54 -1.705 8.456 9.364 1.00 0.00 O ATOM 658 CB GLU A 54 0.279 5.757 8.751 1.00 0.00 C ATOM 659 CG GLU A 54 0.083 4.257 8.977 1.00 0.00 C ATOM 660 CD GLU A 54 -0.013 3.935 10.470 1.00 0.00 C ATOM 661 OE1 GLU A 54 -1.152 3.959 10.984 1.00 0.00 O ATOM 662 OE2 GLU A 54 1.055 3.673 11.064 1.00 0.00 O ATOM 0 H GLU A 54 -0.544 6.383 6.254 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.833 6.004 8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.055 5.917 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.625 6.225 9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.823 3.925 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.914 3.707 8.536 1.00 0.00 H new ATOM 669 N SER A 55 -0.123 8.587 7.753 1.00 0.00 N ATOM 670 CA SER A 55 0.024 10.029 7.860 1.00 0.00 C ATOM 671 C SER A 55 0.149 10.435 9.330 1.00 0.00 C ATOM 672 O SER A 55 -0.837 10.816 9.959 1.00 0.00 O ATOM 673 CB SER A 55 -1.156 10.753 7.209 1.00 0.00 C ATOM 674 OG SER A 55 -2.354 10.612 7.968 1.00 0.00 O ATOM 0 H SER A 55 0.476 8.148 7.054 1.00 0.00 H new ATOM 0 HA SER A 55 0.931 10.320 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.917 11.811 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.314 10.358 6.205 1.00 0.00 H new ATOM 0 HG SER A 55 -2.136 10.282 8.865 1.00 0.00 H new ATOM 680 N GLY A 56 1.371 10.339 9.835 1.00 0.00 N ATOM 681 CA GLY A 56 1.638 10.691 11.219 1.00 0.00 C ATOM 682 C GLY A 56 1.380 12.179 11.466 1.00 0.00 C ATOM 683 O GLY A 56 0.315 12.693 11.127 1.00 0.00 O ATOM 0 H GLY A 56 2.186 10.023 9.310 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.007 10.095 11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.672 10.452 11.466 1.00 0.00 H new ATOM 687 N GLY A 57 2.373 12.829 12.054 1.00 0.00 N ATOM 688 CA GLY A 57 2.268 14.248 12.350 1.00 0.00 C ATOM 689 C GLY A 57 3.420 15.028 11.714 1.00 0.00 C ATOM 690 O GLY A 57 3.601 16.212 11.992 1.00 0.00 O ATOM 0 H GLY A 57 3.255 12.399 12.334 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.317 14.631 11.980 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.274 14.399 13.429 1.00 0.00 H new ATOM 694 N HIS A 58 4.170 14.332 10.872 1.00 0.00 N ATOM 695 CA HIS A 58 5.300 14.944 10.195 1.00 0.00 C ATOM 696 C HIS A 58 4.876 16.291 9.604 1.00 0.00 C ATOM 697 O HIS A 58 3.699 16.646 9.642 1.00 0.00 O ATOM 698 CB HIS A 58 5.885 13.995 9.147 1.00 0.00 C ATOM 699 CG HIS A 58 4.846 13.219 8.373 1.00 0.00 C ATOM 700 ND1 HIS A 58 5.174 12.280 7.411 1.00 0.00 N ATOM 701 CD2 HIS A 58 3.483 13.252 8.430 1.00 0.00 C ATOM 702 CE1 HIS A 58 4.052 11.778 6.917 1.00 0.00 C ATOM 703 NE2 HIS A 58 3.005 12.382 7.549 1.00 0.00 N ATOM 0 H HIS A 58 4.017 13.350 10.643 1.00 0.00 H new ATOM 0 HA HIS A 58 6.098 15.136 10.913 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.489 14.572 8.447 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.555 13.292 9.642 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.893 13.880 9.082 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.979 11.023 6.148 1.00 0.00 H new ATOM 0 HE2 HIS A 58 2.018 12.196 7.374 1.00 0.00 H new ATOM 711 N ALA A 59 5.858 17.003 9.072 1.00 0.00 N ATOM 712 CA ALA A 59 5.602 18.302 8.474 1.00 0.00 C ATOM 713 C ALA A 59 5.177 18.113 7.016 1.00 0.00 C ATOM 714 O ALA A 59 6.018 18.094 6.119 1.00 0.00 O ATOM 715 CB ALA A 59 6.847 19.181 8.609 1.00 0.00 C ATOM 0 H ALA A 59 6.833 16.705 9.043 1.00 0.00 H new ATOM 0 HA ALA A 59 4.788 18.809 8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.655 20.156 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.090 19.309 9.664 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.685 18.706 8.099 1.00 0.00 H new ATOM 721 N VAL A 60 3.873 17.979 6.826 1.00 0.00 N ATOM 722 CA VAL A 60 3.326 17.792 5.493 1.00 0.00 C ATOM 723 C VAL A 60 2.047 18.620 5.350 1.00 0.00 C ATOM 724 O VAL A 60 1.387 18.925 6.342 1.00 0.00 O ATOM 725 CB VAL A 60 3.108 16.303 5.221 1.00 0.00 C ATOM 726 CG1 VAL A 60 4.432 15.603 4.906 1.00 0.00 C ATOM 727 CG2 VAL A 60 2.397 15.629 6.396 1.00 0.00 C ATOM 0 H VAL A 60 3.179 17.996 7.573 1.00 0.00 H new ATOM 0 HA VAL A 60 4.028 18.147 4.739 1.00 0.00 H new ATOM 0 HB VAL A 60 2.465 16.213 4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.248 14.545 4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.883 16.057 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.109 15.708 5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.254 14.571 6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.002 15.734 7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.427 16.101 6.553 1.00 0.00 H new ATOM 737 N PRO A 61 1.728 18.969 4.075 1.00 0.00 N ATOM 738 CA PRO A 61 0.540 19.755 3.790 1.00 0.00 C ATOM 739 C PRO A 61 -0.724 18.902 3.910 1.00 0.00 C ATOM 740 O PRO A 61 -0.730 17.735 3.519 1.00 0.00 O ATOM 741 CB PRO A 61 0.757 20.301 2.388 1.00 0.00 C ATOM 742 CG PRO A 61 1.834 19.430 1.763 1.00 0.00 C ATOM 743 CD PRO A 61 2.486 18.625 2.876 1.00 0.00 C ATOM 0 HA PRO A 61 0.393 20.567 4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -0.164 20.261 1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.069 21.345 2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.401 18.766 1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.575 20.046 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.439 17.555 2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.539 18.882 2.986 1.00 0.00 H new ATOM 751 N ALA A 62 -1.765 19.517 4.451 1.00 0.00 N ATOM 752 CA ALA A 62 -3.033 18.828 4.628 1.00 0.00 C ATOM 753 C ALA A 62 -3.406 18.115 3.327 1.00 0.00 C ATOM 754 O ALA A 62 -3.325 18.701 2.248 1.00 0.00 O ATOM 755 CB ALA A 62 -4.101 19.830 5.071 1.00 0.00 C ATOM 0 H ALA A 62 -1.757 20.485 4.773 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.953 18.071 5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.052 19.314 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.802 20.288 6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.211 20.604 4.311 1.00 0.00 H new ATOM 761 N GLY A 63 -3.808 16.861 3.471 1.00 0.00 N ATOM 762 CA GLY A 63 -4.194 16.062 2.320 1.00 0.00 C ATOM 763 C GLY A 63 -2.966 15.469 1.627 1.00 0.00 C ATOM 764 O GLY A 63 -2.797 15.622 0.418 1.00 0.00 O ATOM 0 H GLY A 63 -3.875 16.378 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.860 15.259 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.751 16.679 1.615 1.00 0.00 H new ATOM 768 N SER A 64 -2.139 14.806 2.422 1.00 0.00 N ATOM 769 CA SER A 64 -0.931 14.190 1.900 1.00 0.00 C ATOM 770 C SER A 64 -1.041 12.667 1.986 1.00 0.00 C ATOM 771 O SER A 64 -1.594 12.134 2.947 1.00 0.00 O ATOM 772 CB SER A 64 0.306 14.677 2.656 1.00 0.00 C ATOM 773 OG SER A 64 1.157 15.470 1.833 1.00 0.00 O ATOM 0 H SER A 64 -2.282 14.682 3.424 1.00 0.00 H new ATOM 0 HA SER A 64 -0.823 14.481 0.855 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.005 15.260 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.863 13.818 3.032 1.00 0.00 H new ATOM 0 HG SER A 64 2.086 15.368 2.129 1.00 0.00 H new ATOM 779 N GLU A 65 -0.506 12.008 0.968 1.00 0.00 N ATOM 780 CA GLU A 65 -0.537 10.556 0.917 1.00 0.00 C ATOM 781 C GLU A 65 0.880 10.000 0.763 1.00 0.00 C ATOM 782 O GLU A 65 1.175 9.304 -0.207 1.00 0.00 O ATOM 783 CB GLU A 65 -1.444 10.067 -0.213 1.00 0.00 C ATOM 784 CG GLU A 65 -2.916 10.324 0.114 1.00 0.00 C ATOM 785 CD GLU A 65 -3.686 10.768 -1.131 1.00 0.00 C ATOM 786 OE1 GLU A 65 -3.097 11.541 -1.917 1.00 0.00 O ATOM 787 OE2 GLU A 65 -4.846 10.323 -1.270 1.00 0.00 O ATOM 0 H GLU A 65 -0.049 12.453 0.172 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.951 10.187 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.180 10.574 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.285 9.001 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.365 9.418 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.992 11.090 0.885 1.00 0.00 H new ATOM 794 N THR A 66 1.719 10.327 1.735 1.00 0.00 N ATOM 795 CA THR A 66 3.098 9.869 1.719 1.00 0.00 C ATOM 796 C THR A 66 3.283 8.704 2.693 1.00 0.00 C ATOM 797 O THR A 66 3.668 7.608 2.289 1.00 0.00 O ATOM 798 CB THR A 66 3.997 11.068 2.027 1.00 0.00 C ATOM 799 OG1 THR A 66 3.729 11.361 3.395 1.00 0.00 O ATOM 800 CG2 THR A 66 3.564 12.332 1.282 1.00 0.00 C ATOM 0 H THR A 66 1.470 10.904 2.539 1.00 0.00 H new ATOM 0 HA THR A 66 3.375 9.480 0.739 1.00 0.00 H new ATOM 0 HB THR A 66 5.026 10.827 1.762 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.272 12.126 3.678 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.235 13.152 1.536 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.602 12.152 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.546 12.594 1.570 1.00 0.00 H new ATOM 808 N HIS A 67 3.002 8.981 3.958 1.00 0.00 N ATOM 809 CA HIS A 67 3.133 7.969 4.992 1.00 0.00 C ATOM 810 C HIS A 67 2.076 6.883 4.785 1.00 0.00 C ATOM 811 O HIS A 67 0.913 7.067 5.141 1.00 0.00 O ATOM 812 CB HIS A 67 3.067 8.603 6.383 1.00 0.00 C ATOM 813 CG HIS A 67 4.412 8.760 7.051 1.00 0.00 C ATOM 814 ND1 HIS A 67 4.586 8.652 8.420 1.00 0.00 N ATOM 815 CD2 HIS A 67 5.644 9.016 6.525 1.00 0.00 C ATOM 816 CE1 HIS A 67 5.869 8.838 8.694 1.00 0.00 C ATOM 817 NE2 HIS A 67 6.523 9.064 7.519 1.00 0.00 N ATOM 0 H HIS A 67 2.684 9.892 4.290 1.00 0.00 H new ATOM 0 HA HIS A 67 4.111 7.493 4.918 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.596 9.583 6.302 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.426 7.993 7.019 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.867 9.156 5.478 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.318 8.815 9.676 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.523 9.241 7.420 1.00 0.00 H new ATOM 825 N PHE A 68 2.518 5.774 4.209 1.00 0.00 N ATOM 826 CA PHE A 68 1.625 4.658 3.950 1.00 0.00 C ATOM 827 C PHE A 68 2.086 3.403 4.693 1.00 0.00 C ATOM 828 O PHE A 68 3.120 3.416 5.359 1.00 0.00 O ATOM 829 CB PHE A 68 1.669 4.390 2.444 1.00 0.00 C ATOM 830 CG PHE A 68 0.489 4.985 1.672 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.769 4.516 1.886 1.00 0.00 C ATOM 832 CD2 PHE A 68 0.700 5.982 0.771 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.864 5.068 1.169 1.00 0.00 C ATOM 834 CE2 PHE A 68 -0.395 6.534 0.054 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.653 6.065 0.268 1.00 0.00 C ATOM 0 H PHE A 68 3.483 5.625 3.915 1.00 0.00 H new ATOM 0 HA PHE A 68 0.618 4.900 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.596 4.796 2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.693 3.313 2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.936 3.724 2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.700 6.354 0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.864 4.696 1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.228 7.326 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.485 6.484 -0.278 1.00 0.00 H new ATOM 845 N ARG A 69 1.296 2.348 4.554 1.00 0.00 N ATOM 846 CA ARG A 69 1.610 1.087 5.204 1.00 0.00 C ATOM 847 C ARG A 69 0.983 -0.077 4.434 1.00 0.00 C ATOM 848 O ARG A 69 -0.235 -0.246 4.441 1.00 0.00 O ATOM 849 CB ARG A 69 1.101 1.069 6.646 1.00 0.00 C ATOM 850 CG ARG A 69 2.163 0.511 7.596 1.00 0.00 C ATOM 851 CD ARG A 69 1.981 1.066 9.010 1.00 0.00 C ATOM 852 NE ARG A 69 3.051 2.043 9.312 1.00 0.00 N ATOM 853 CZ ARG A 69 4.265 1.710 9.771 1.00 0.00 C ATOM 854 NH1 ARG A 69 4.571 0.422 9.983 1.00 0.00 N ATOM 855 NH2 ARG A 69 5.173 2.664 10.017 1.00 0.00 N ATOM 0 H ARG A 69 0.439 2.341 4.001 1.00 0.00 H new ATOM 0 HA ARG A 69 2.695 0.979 5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.829 2.079 6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.197 0.463 6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.101 -0.577 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.156 0.766 7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.005 1.544 9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.005 0.252 9.735 1.00 0.00 H new ATOM 0 HE ARG A 69 2.852 3.032 9.161 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.880 -0.304 9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.495 0.168 10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.940 3.644 9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.097 2.411 10.366 1.00 0.00 H new ATOM 869 N VAL A 70 1.844 -0.851 3.789 1.00 0.00 N ATOM 870 CA VAL A 70 1.390 -1.994 3.016 1.00 0.00 C ATOM 871 C VAL A 70 1.851 -3.283 3.701 1.00 0.00 C ATOM 872 O VAL A 70 2.877 -3.297 4.379 1.00 0.00 O ATOM 873 CB VAL A 70 1.880 -1.877 1.572 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.328 -2.354 1.443 1.00 0.00 C ATOM 875 CG2 VAL A 70 0.963 -2.646 0.618 1.00 0.00 C ATOM 0 H VAL A 70 2.854 -0.709 3.786 1.00 0.00 H new ATOM 0 HA VAL A 70 0.301 -2.019 2.975 1.00 0.00 H new ATOM 0 HB VAL A 70 1.848 -0.824 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.651 -2.260 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.970 -1.745 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.396 -3.397 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.334 -2.547 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.948 -3.699 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.047 -2.240 0.678 1.00 0.00 H new ATOM 885 N ALA A 71 1.070 -4.334 3.500 1.00 0.00 N ATOM 886 CA ALA A 71 1.385 -5.624 4.090 1.00 0.00 C ATOM 887 C ALA A 71 1.321 -6.704 3.008 1.00 0.00 C ATOM 888 O ALA A 71 0.239 -7.172 2.657 1.00 0.00 O ATOM 889 CB ALA A 71 0.426 -5.903 5.250 1.00 0.00 C ATOM 0 H ALA A 71 0.220 -4.319 2.937 1.00 0.00 H new ATOM 0 HA ALA A 71 2.397 -5.624 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.662 -6.871 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.531 -5.123 6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.599 -5.914 4.880 1.00 0.00 H new ATOM 895 N VAL A 72 2.493 -7.067 2.510 1.00 0.00 N ATOM 896 CA VAL A 72 2.584 -8.083 1.475 1.00 0.00 C ATOM 897 C VAL A 72 2.853 -9.442 2.123 1.00 0.00 C ATOM 898 O VAL A 72 3.646 -9.542 3.058 1.00 0.00 O ATOM 899 CB VAL A 72 3.648 -7.689 0.448 1.00 0.00 C ATOM 900 CG1 VAL A 72 5.052 -7.790 1.047 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.529 -8.541 -0.818 1.00 0.00 C ATOM 0 H VAL A 72 3.388 -6.676 2.804 1.00 0.00 H new ATOM 0 HA VAL A 72 1.642 -8.162 0.933 1.00 0.00 H new ATOM 0 HB VAL A 72 3.477 -6.649 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.789 -7.505 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.130 -7.122 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.238 -8.815 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.296 -8.241 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.662 -9.592 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.544 -8.397 -1.262 1.00 0.00 H new ATOM 911 N VAL A 73 2.178 -10.455 1.600 1.00 0.00 N ATOM 912 CA VAL A 73 2.334 -11.805 2.116 1.00 0.00 C ATOM 913 C VAL A 73 2.533 -12.773 0.948 1.00 0.00 C ATOM 914 O VAL A 73 1.566 -13.313 0.414 1.00 0.00 O ATOM 915 CB VAL A 73 1.138 -12.169 2.998 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.253 -13.606 3.511 1.00 0.00 C ATOM 917 CG2 VAL A 73 0.990 -11.182 4.157 1.00 0.00 C ATOM 0 H VAL A 73 1.522 -10.368 0.824 1.00 0.00 H new ATOM 0 HA VAL A 73 3.219 -11.873 2.748 1.00 0.00 H new ATOM 0 HB VAL A 73 0.238 -12.103 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.391 -13.840 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.285 -14.293 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.165 -13.711 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.132 -11.464 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.892 -11.200 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.839 -10.177 3.762 1.00 0.00 H new ATOM 927 N SER A 74 3.793 -12.962 0.586 1.00 0.00 N ATOM 928 CA SER A 74 4.131 -13.856 -0.509 1.00 0.00 C ATOM 929 C SER A 74 5.327 -14.728 -0.122 1.00 0.00 C ATOM 930 O SER A 74 6.007 -14.453 0.866 1.00 0.00 O ATOM 931 CB SER A 74 4.437 -13.071 -1.786 1.00 0.00 C ATOM 932 OG SER A 74 3.686 -13.548 -2.898 1.00 0.00 O ATOM 0 H SER A 74 4.593 -12.512 1.031 1.00 0.00 H new ATOM 0 HA SER A 74 3.271 -14.497 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.216 -12.016 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.501 -13.143 -2.010 1.00 0.00 H new ATOM 0 HG SER A 74 3.908 -13.020 -3.693 1.00 0.00 H new ATOM 938 N SER A 75 5.549 -15.761 -0.921 1.00 0.00 N ATOM 939 CA SER A 75 6.651 -16.675 -0.675 1.00 0.00 C ATOM 940 C SER A 75 7.928 -16.143 -1.329 1.00 0.00 C ATOM 941 O SER A 75 8.995 -16.739 -1.191 1.00 0.00 O ATOM 942 CB SER A 75 6.331 -18.077 -1.197 1.00 0.00 C ATOM 943 OG SER A 75 7.413 -18.628 -1.944 1.00 0.00 O ATOM 0 H SER A 75 4.984 -15.985 -1.740 1.00 0.00 H new ATOM 0 HA SER A 75 6.804 -16.744 0.402 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.099 -18.732 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.441 -18.036 -1.825 1.00 0.00 H new ATOM 0 HG SER A 75 7.926 -19.239 -1.375 1.00 0.00 H new ATOM 949 N ARG A 76 7.776 -15.028 -2.027 1.00 0.00 N ATOM 950 CA ARG A 76 8.904 -14.409 -2.703 1.00 0.00 C ATOM 951 C ARG A 76 9.983 -14.022 -1.689 1.00 0.00 C ATOM 952 O ARG A 76 11.174 -14.164 -1.961 1.00 0.00 O ATOM 953 CB ARG A 76 8.467 -13.161 -3.473 1.00 0.00 C ATOM 954 CG ARG A 76 7.722 -13.541 -4.754 1.00 0.00 C ATOM 955 CD ARG A 76 8.632 -13.412 -5.977 1.00 0.00 C ATOM 956 NE ARG A 76 9.800 -14.310 -5.835 1.00 0.00 N ATOM 957 CZ ARG A 76 10.982 -14.106 -6.433 1.00 0.00 C ATOM 958 NH1 ARG A 76 11.160 -13.034 -7.217 1.00 0.00 N ATOM 959 NH2 ARG A 76 11.986 -14.974 -6.247 1.00 0.00 N ATOM 0 H ARG A 76 6.889 -14.537 -2.139 1.00 0.00 H new ATOM 0 HA ARG A 76 9.307 -15.135 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.824 -12.547 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.340 -12.558 -3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.355 -14.564 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.850 -12.898 -4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.078 -13.663 -6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.967 -12.380 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 76 9.699 -15.136 -5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.396 -12.373 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.060 -12.879 -7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.851 -15.790 -5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.885 -14.819 -6.702 1.00 0.00 H new ATOM 973 N PHE A 77 9.527 -13.542 -0.542 1.00 0.00 N ATOM 974 CA PHE A 77 10.439 -13.134 0.514 1.00 0.00 C ATOM 975 C PHE A 77 10.796 -14.316 1.417 1.00 0.00 C ATOM 976 O PHE A 77 10.915 -14.161 2.631 1.00 0.00 O ATOM 977 CB PHE A 77 9.715 -12.073 1.345 1.00 0.00 C ATOM 978 CG PHE A 77 8.876 -11.098 0.516 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.459 -10.374 -0.477 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.548 -10.956 0.772 1.00 0.00 C ATOM 981 CE1 PHE A 77 8.681 -9.469 -1.246 1.00 0.00 C ATOM 982 CE2 PHE A 77 6.770 -10.051 0.002 1.00 0.00 C ATOM 983 CZ PHE A 77 7.353 -9.327 -0.990 1.00 0.00 C ATOM 0 H PHE A 77 8.538 -13.426 -0.320 1.00 0.00 H new ATOM 0 HA PHE A 77 11.363 -12.751 0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.067 -12.571 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.452 -11.508 1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.514 -10.488 -0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.085 -11.531 1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.144 -8.893 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.715 -9.938 0.205 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.761 -8.639 -1.575 1.00 0.00 H new ATOM 993 N GLU A 78 10.958 -15.472 0.789 1.00 0.00 N ATOM 994 CA GLU A 78 11.300 -16.680 1.520 1.00 0.00 C ATOM 995 C GLU A 78 12.814 -16.772 1.716 1.00 0.00 C ATOM 996 O GLU A 78 13.516 -17.352 0.889 1.00 0.00 O ATOM 997 CB GLU A 78 10.762 -17.923 0.808 1.00 0.00 C ATOM 998 CG GLU A 78 9.379 -18.304 1.339 1.00 0.00 C ATOM 999 CD GLU A 78 9.063 -19.771 1.041 1.00 0.00 C ATOM 1000 OE1 GLU A 78 9.813 -20.629 1.555 1.00 0.00 O ATOM 1001 OE2 GLU A 78 8.079 -20.002 0.306 1.00 0.00 O ATOM 0 H GLU A 78 10.859 -15.597 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 78 10.829 -16.632 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.705 -17.736 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.452 -18.755 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.338 -18.130 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.622 -17.665 0.884 1.00 0.00 H new ATOM 1008 N GLY A 79 13.273 -16.190 2.814 1.00 0.00 N ATOM 1009 CA GLY A 79 14.692 -16.199 3.129 1.00 0.00 C ATOM 1010 C GLY A 79 15.360 -14.897 2.684 1.00 0.00 C ATOM 1011 O GLY A 79 16.235 -14.376 3.374 1.00 0.00 O ATOM 0 H GLY A 79 12.688 -15.709 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.829 -16.334 4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.172 -17.045 2.637 1.00 0.00 H new ATOM 1015 N MET A 80 14.923 -14.408 1.532 1.00 0.00 N ATOM 1016 CA MET A 80 15.468 -13.177 0.986 1.00 0.00 C ATOM 1017 C MET A 80 15.761 -12.167 2.098 1.00 0.00 C ATOM 1018 O MET A 80 15.135 -12.204 3.156 1.00 0.00 O ATOM 1019 CB MET A 80 14.471 -12.571 -0.004 1.00 0.00 C ATOM 1020 CG MET A 80 14.391 -13.408 -1.282 1.00 0.00 C ATOM 1021 SD MET A 80 15.225 -12.566 -2.617 1.00 0.00 S ATOM 1022 CE MET A 80 14.080 -11.228 -2.902 1.00 0.00 C ATOM 0 H MET A 80 14.197 -14.843 0.962 1.00 0.00 H new ATOM 0 HA MET A 80 16.403 -13.410 0.476 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.485 -12.510 0.458 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.771 -11.552 -0.250 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.846 -14.384 -1.116 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.348 -13.583 -1.547 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.630 -10.336 -3.202 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.383 -11.507 -3.692 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.526 -11.022 -1.986 1.00 0.00 H new ATOM 1032 N SER A 81 16.713 -11.288 1.820 1.00 0.00 N ATOM 1033 CA SER A 81 17.096 -10.270 2.783 1.00 0.00 C ATOM 1034 C SER A 81 15.892 -9.387 3.119 1.00 0.00 C ATOM 1035 O SER A 81 14.934 -9.321 2.351 1.00 0.00 O ATOM 1036 CB SER A 81 18.249 -9.416 2.252 1.00 0.00 C ATOM 1037 OG SER A 81 19.138 -10.169 1.431 1.00 0.00 O ATOM 0 H SER A 81 17.230 -11.260 0.941 1.00 0.00 H new ATOM 0 HA SER A 81 17.437 -10.769 3.690 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.847 -8.580 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.802 -8.992 3.090 1.00 0.00 H new ATOM 0 HG SER A 81 20.042 -9.796 1.500 1.00 0.00 H new ATOM 1043 N PRO A 82 15.984 -8.714 4.297 1.00 0.00 N ATOM 1044 CA PRO A 82 14.914 -7.838 4.743 1.00 0.00 C ATOM 1045 C PRO A 82 14.913 -6.527 3.955 1.00 0.00 C ATOM 1046 O PRO A 82 13.878 -5.874 3.831 1.00 0.00 O ATOM 1047 CB PRO A 82 15.164 -7.638 6.229 1.00 0.00 C ATOM 1048 CG PRO A 82 16.615 -8.024 6.463 1.00 0.00 C ATOM 1049 CD PRO A 82 17.104 -8.769 5.231 1.00 0.00 C ATOM 0 HA PRO A 82 13.925 -8.262 4.572 1.00 0.00 H new ATOM 0 HB2 PRO A 82 14.983 -6.603 6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 82 14.494 -8.258 6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.223 -7.136 6.638 1.00 0.00 H new ATOM 0 HG3 PRO A 82 16.705 -8.652 7.349 1.00 0.00 H new ATOM 0 HD2 PRO A 82 17.993 -8.299 4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.370 -9.799 5.470 1.00 0.00 H new ATOM 1057 N LEU A 83 16.085 -6.182 3.441 1.00 0.00 N ATOM 1058 CA LEU A 83 16.232 -4.961 2.668 1.00 0.00 C ATOM 1059 C LEU A 83 15.806 -5.223 1.222 1.00 0.00 C ATOM 1060 O LEU A 83 15.020 -4.466 0.656 1.00 0.00 O ATOM 1061 CB LEU A 83 17.654 -4.411 2.800 1.00 0.00 C ATOM 1062 CG LEU A 83 17.900 -3.464 3.976 1.00 0.00 C ATOM 1063 CD1 LEU A 83 19.398 -3.267 4.217 1.00 0.00 C ATOM 1064 CD2 LEU A 83 17.173 -2.134 3.770 1.00 0.00 C ATOM 0 H LEU A 83 16.941 -6.727 3.545 1.00 0.00 H new ATOM 0 HA LEU A 83 15.576 -4.182 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.341 -5.253 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.907 -3.887 1.878 1.00 0.00 H new ATOM 0 HG LEU A 83 17.487 -3.921 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 83 19.545 -2.590 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.860 -4.229 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.857 -2.842 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.364 -1.479 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 83 17.534 -1.659 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.101 -2.314 3.685 1.00 0.00 H new ATOM 1076 N GLN A 84 16.345 -6.299 0.666 1.00 0.00 N ATOM 1077 CA GLN A 84 16.030 -6.671 -0.703 1.00 0.00 C ATOM 1078 C GLN A 84 14.515 -6.773 -0.891 1.00 0.00 C ATOM 1079 O GLN A 84 13.987 -6.376 -1.928 1.00 0.00 O ATOM 1080 CB GLN A 84 16.720 -7.981 -1.087 1.00 0.00 C ATOM 1081 CG GLN A 84 18.209 -7.758 -1.358 1.00 0.00 C ATOM 1082 CD GLN A 84 18.833 -8.982 -2.032 1.00 0.00 C ATOM 1083 OE1 GLN A 84 18.914 -9.082 -3.245 1.00 0.00 O ATOM 1084 NE2 GLN A 84 19.268 -9.905 -1.179 1.00 0.00 N ATOM 0 H GLN A 84 16.997 -6.924 1.139 1.00 0.00 H new ATOM 0 HA GLN A 84 16.406 -5.892 -1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.598 -8.709 -0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 84 16.244 -8.400 -1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.339 -6.882 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.726 -7.551 -0.421 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.169 -9.758 -0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.700 -10.760 -1.529 1.00 0.00 H new ATOM 1093 N ARG A 85 13.859 -7.306 0.130 1.00 0.00 N ATOM 1094 CA ARG A 85 12.416 -7.465 0.090 1.00 0.00 C ATOM 1095 C ARG A 85 11.750 -6.162 -0.357 1.00 0.00 C ATOM 1096 O ARG A 85 11.137 -6.108 -1.422 1.00 0.00 O ATOM 1097 CB ARG A 85 11.868 -7.866 1.461 1.00 0.00 C ATOM 1098 CG ARG A 85 12.006 -9.372 1.688 1.00 0.00 C ATOM 1099 CD ARG A 85 11.782 -9.728 3.160 1.00 0.00 C ATOM 1100 NE ARG A 85 12.495 -10.982 3.492 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.698 -11.423 4.741 1.00 0.00 C ATOM 1102 NH1 ARG A 85 12.243 -10.714 5.783 1.00 0.00 N ATOM 1103 NH2 ARG A 85 13.355 -12.572 4.947 1.00 0.00 N ATOM 0 H ARG A 85 14.301 -7.633 0.989 1.00 0.00 H new ATOM 0 HA ARG A 85 12.189 -8.256 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.403 -7.326 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.819 -7.578 1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.285 -9.904 1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.998 -9.701 1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.138 -8.918 3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.716 -9.843 3.357 1.00 0.00 H new ATOM 0 HE ARG A 85 12.854 -11.546 2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.743 -9.839 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.397 -11.049 6.734 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.701 -13.111 4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.510 -12.908 5.898 1.00 0.00 H new ATOM 1117 N HIS A 86 11.894 -5.145 0.479 1.00 0.00 N ATOM 1118 CA HIS A 86 11.314 -3.845 0.184 1.00 0.00 C ATOM 1119 C HIS A 86 11.754 -3.392 -1.210 1.00 0.00 C ATOM 1120 O HIS A 86 10.956 -2.848 -1.970 1.00 0.00 O ATOM 1121 CB HIS A 86 11.666 -2.833 1.275 1.00 0.00 C ATOM 1122 CG HIS A 86 11.014 -3.114 2.608 1.00 0.00 C ATOM 1123 ND1 HIS A 86 10.702 -2.117 3.515 1.00 0.00 N ATOM 1124 CD2 HIS A 86 10.617 -4.289 3.175 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.144 -2.678 4.578 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.093 -4.024 4.365 1.00 0.00 N ATOM 0 H HIS A 86 12.404 -5.194 1.361 1.00 0.00 H new ATOM 0 HA HIS A 86 10.227 -3.920 0.177 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.748 -2.819 1.407 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.372 -1.838 0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 86 10.713 -5.269 2.731 1.00 0.00 H new ATOM 0 HE1 HIS A 86 9.792 -2.160 5.458 1.00 0.00 H new ATOM 0 HE2 HIS A 86 9.714 -4.714 5.014 1.00 0.00 H new ATOM 1134 N ARG A 87 13.024 -3.633 -1.502 1.00 0.00 N ATOM 1135 CA ARG A 87 13.580 -3.257 -2.791 1.00 0.00 C ATOM 1136 C ARG A 87 12.725 -3.826 -3.924 1.00 0.00 C ATOM 1137 O ARG A 87 12.474 -3.147 -4.919 1.00 0.00 O ATOM 1138 CB ARG A 87 15.016 -3.764 -2.940 1.00 0.00 C ATOM 1139 CG ARG A 87 15.732 -3.051 -4.089 1.00 0.00 C ATOM 1140 CD ARG A 87 17.016 -3.787 -4.476 1.00 0.00 C ATOM 1141 NE ARG A 87 18.068 -2.812 -4.841 1.00 0.00 N ATOM 1142 CZ ARG A 87 19.371 -3.112 -4.929 1.00 0.00 C ATOM 1143 NH1 ARG A 87 19.790 -4.359 -4.680 1.00 0.00 N ATOM 1144 NH2 ARG A 87 20.255 -2.163 -5.267 1.00 0.00 N ATOM 0 H ARG A 87 13.684 -4.084 -0.868 1.00 0.00 H new ATOM 0 HA ARG A 87 13.584 -2.168 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.561 -3.602 -2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.009 -4.839 -3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 87 15.070 -2.989 -4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.969 -2.028 -3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.355 -4.406 -3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.823 -4.457 -5.314 1.00 0.00 H new ATOM 0 HE ARG A 87 17.784 -1.852 -5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 87 19.117 -5.081 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 87 20.782 -4.587 -4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.936 -1.213 -5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.247 -2.391 -5.334 1.00 0.00 H new ATOM 1158 N LEU A 88 12.300 -5.067 -3.737 1.00 0.00 N ATOM 1159 CA LEU A 88 11.478 -5.735 -4.731 1.00 0.00 C ATOM 1160 C LEU A 88 10.176 -4.954 -4.919 1.00 0.00 C ATOM 1161 O LEU A 88 9.686 -4.817 -6.039 1.00 0.00 O ATOM 1162 CB LEU A 88 11.266 -7.202 -4.353 1.00 0.00 C ATOM 1163 CG LEU A 88 11.936 -8.233 -5.264 1.00 0.00 C ATOM 1164 CD1 LEU A 88 12.916 -9.105 -4.477 1.00 0.00 C ATOM 1165 CD2 LEU A 88 10.892 -9.070 -6.006 1.00 0.00 C ATOM 0 H LEU A 88 12.510 -5.628 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 88 11.984 -5.749 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.632 -7.351 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.195 -7.402 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 88 12.514 -7.698 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.378 -9.829 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.688 -8.476 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.381 -9.632 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.395 -9.795 -6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.267 -9.596 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.269 -8.417 -6.617 1.00 0.00 H new ATOM 1177 N VAL A 89 9.652 -4.463 -3.805 1.00 0.00 N ATOM 1178 CA VAL A 89 8.416 -3.699 -3.832 1.00 0.00 C ATOM 1179 C VAL A 89 8.706 -2.286 -4.343 1.00 0.00 C ATOM 1180 O VAL A 89 7.919 -1.724 -5.103 1.00 0.00 O ATOM 1181 CB VAL A 89 7.762 -3.712 -2.449 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.316 -3.218 -2.522 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.835 -5.106 -1.822 1.00 0.00 C ATOM 0 H VAL A 89 10.061 -4.580 -2.878 1.00 0.00 H new ATOM 0 HA VAL A 89 7.702 -4.153 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 89 8.318 -3.027 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.874 -3.237 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.299 -2.198 -2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.743 -3.866 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.363 -5.088 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.316 -5.820 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.878 -5.404 -1.718 1.00 0.00 H new ATOM 1193 N HIS A 90 9.837 -1.754 -3.905 1.00 0.00 N ATOM 1194 CA HIS A 90 10.241 -0.417 -4.309 1.00 0.00 C ATOM 1195 C HIS A 90 10.492 -0.391 -5.818 1.00 0.00 C ATOM 1196 O HIS A 90 10.087 0.548 -6.502 1.00 0.00 O ATOM 1197 CB HIS A 90 11.450 0.053 -3.498 1.00 0.00 C ATOM 1198 CG HIS A 90 11.111 0.510 -2.099 1.00 0.00 C ATOM 1199 ND1 HIS A 90 11.772 1.550 -1.469 1.00 0.00 N ATOM 1200 CD2 HIS A 90 10.175 0.057 -1.216 1.00 0.00 C ATOM 1201 CE1 HIS A 90 11.249 1.707 -0.262 1.00 0.00 C ATOM 1202 NE2 HIS A 90 10.260 0.781 -0.107 1.00 0.00 N ATOM 0 H HIS A 90 10.487 -2.224 -3.274 1.00 0.00 H new ATOM 0 HA HIS A 90 9.438 0.289 -4.097 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.173 -0.761 -3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.935 0.872 -4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.482 -0.753 -1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.553 2.440 0.471 1.00 0.00 H new ATOM 0 HE2 HIS A 90 9.681 0.664 0.724 1.00 0.00 H new ATOM 1210 N GLU A 91 11.159 -1.432 -6.293 1.00 0.00 N ATOM 1211 CA GLU A 91 11.470 -1.540 -7.708 1.00 0.00 C ATOM 1212 C GLU A 91 10.197 -1.386 -8.544 1.00 0.00 C ATOM 1213 O GLU A 91 10.173 -0.623 -9.508 1.00 0.00 O ATOM 1214 CB GLU A 91 12.171 -2.865 -8.016 1.00 0.00 C ATOM 1215 CG GLU A 91 13.599 -2.627 -8.509 1.00 0.00 C ATOM 1216 CD GLU A 91 13.977 -3.632 -9.600 1.00 0.00 C ATOM 1217 OE1 GLU A 91 14.187 -4.810 -9.238 1.00 0.00 O ATOM 1218 OE2 GLU A 91 14.047 -3.199 -10.770 1.00 0.00 O ATOM 0 H GLU A 91 11.493 -2.209 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 91 12.155 -0.734 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.190 -3.487 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.608 -3.412 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.689 -1.612 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.295 -2.712 -7.674 1.00 0.00 H new ATOM 1225 N ALA A 92 9.171 -2.122 -8.143 1.00 0.00 N ATOM 1226 CA ALA A 92 7.899 -2.076 -8.842 1.00 0.00 C ATOM 1227 C ALA A 92 7.372 -0.640 -8.841 1.00 0.00 C ATOM 1228 O ALA A 92 6.971 -0.121 -9.882 1.00 0.00 O ATOM 1229 CB ALA A 92 6.922 -3.056 -8.190 1.00 0.00 C ATOM 0 H ALA A 92 9.195 -2.754 -7.342 1.00 0.00 H new ATOM 0 HA ALA A 92 8.022 -2.381 -9.881 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.967 -3.021 -8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.329 -4.066 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.772 -2.780 -7.146 1.00 0.00 H new ATOM 1235 N LEU A 93 7.391 -0.038 -7.661 1.00 0.00 N ATOM 1236 CA LEU A 93 6.920 1.329 -7.511 1.00 0.00 C ATOM 1237 C LEU A 93 8.094 2.228 -7.117 1.00 0.00 C ATOM 1238 O LEU A 93 8.077 2.846 -6.054 1.00 0.00 O ATOM 1239 CB LEU A 93 5.746 1.387 -6.532 1.00 0.00 C ATOM 1240 CG LEU A 93 4.435 0.764 -7.019 1.00 0.00 C ATOM 1241 CD1 LEU A 93 3.998 1.379 -8.350 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.549 -0.759 -7.102 1.00 0.00 C ATOM 0 H LEU A 93 7.725 -0.471 -6.800 1.00 0.00 H new ATOM 0 HA LEU A 93 6.534 1.705 -8.458 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.042 0.887 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.558 2.431 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 93 3.658 0.989 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.064 0.919 -8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.850 2.452 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.768 1.205 -9.101 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.604 -1.176 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.343 -1.027 -7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.781 -1.161 -6.116 1.00 0.00 H new ATOM 1254 N SER A 94 9.085 2.272 -7.995 1.00 0.00 N ATOM 1255 CA SER A 94 10.265 3.084 -7.752 1.00 0.00 C ATOM 1256 C SER A 94 9.937 4.562 -7.973 1.00 0.00 C ATOM 1257 O SER A 94 10.668 5.439 -7.516 1.00 0.00 O ATOM 1258 CB SER A 94 11.423 2.657 -8.655 1.00 0.00 C ATOM 1259 OG SER A 94 12.606 3.409 -8.398 1.00 0.00 O ATOM 0 H SER A 94 9.095 1.758 -8.876 1.00 0.00 H new ATOM 0 HA SER A 94 10.574 2.937 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.628 1.597 -8.505 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.134 2.781 -9.699 1.00 0.00 H new ATOM 0 HG SER A 94 13.323 3.105 -8.994 1.00 0.00 H new ATOM 1265 N GLU A 95 8.836 4.793 -8.673 1.00 0.00 N ATOM 1266 CA GLU A 95 8.402 6.149 -8.960 1.00 0.00 C ATOM 1267 C GLU A 95 7.587 6.705 -7.790 1.00 0.00 C ATOM 1268 O GLU A 95 7.599 7.908 -7.537 1.00 0.00 O ATOM 1269 CB GLU A 95 7.600 6.205 -10.262 1.00 0.00 C ATOM 1270 CG GLU A 95 8.373 6.952 -11.351 1.00 0.00 C ATOM 1271 CD GLU A 95 8.251 8.466 -11.168 1.00 0.00 C ATOM 1272 OE1 GLU A 95 8.813 8.965 -10.170 1.00 0.00 O ATOM 1273 OE2 GLU A 95 7.598 9.091 -12.032 1.00 0.00 O ATOM 0 H GLU A 95 8.231 4.063 -9.050 1.00 0.00 H new ATOM 0 HA GLU A 95 9.287 6.772 -9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.376 5.193 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.645 6.700 -10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.423 6.662 -11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.992 6.669 -12.332 1.00 0.00 H new ATOM 1280 N GLU A 96 6.898 5.801 -7.109 1.00 0.00 N ATOM 1281 CA GLU A 96 6.079 6.186 -5.971 1.00 0.00 C ATOM 1282 C GLU A 96 6.959 6.728 -4.843 1.00 0.00 C ATOM 1283 O GLU A 96 6.783 7.864 -4.405 1.00 0.00 O ATOM 1284 CB GLU A 96 5.228 5.011 -5.486 1.00 0.00 C ATOM 1285 CG GLU A 96 4.237 4.570 -6.565 1.00 0.00 C ATOM 1286 CD GLU A 96 3.027 5.506 -6.613 1.00 0.00 C ATOM 1287 OE1 GLU A 96 3.244 6.723 -6.434 1.00 0.00 O ATOM 1288 OE2 GLU A 96 1.912 4.982 -6.827 1.00 0.00 O ATOM 0 H GLU A 96 6.890 4.804 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 96 5.400 6.978 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.874 4.175 -5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.686 5.297 -4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.732 4.559 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.906 3.551 -6.365 1.00 0.00 H new ATOM 1295 N LEU A 97 7.887 5.891 -4.405 1.00 0.00 N ATOM 1296 CA LEU A 97 8.795 6.272 -3.336 1.00 0.00 C ATOM 1297 C LEU A 97 9.560 7.531 -3.747 1.00 0.00 C ATOM 1298 O LEU A 97 9.946 8.332 -2.897 1.00 0.00 O ATOM 1299 CB LEU A 97 9.700 5.098 -2.958 1.00 0.00 C ATOM 1300 CG LEU A 97 9.105 4.077 -1.987 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.399 4.774 -0.822 1.00 0.00 C ATOM 1302 CD2 LEU A 97 8.179 3.102 -2.717 1.00 0.00 C ATOM 0 H LEU A 97 8.030 4.950 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 97 8.238 6.518 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.986 4.577 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.615 5.497 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 97 9.922 3.492 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.985 4.025 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.114 5.394 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.594 5.400 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.769 2.387 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.365 3.655 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.743 2.569 -3.483 1.00 0.00 H new ATOM 1314 N ALA A 98 9.755 7.667 -5.050 1.00 0.00 N ATOM 1315 CA ALA A 98 10.467 8.816 -5.585 1.00 0.00 C ATOM 1316 C ALA A 98 9.472 9.749 -6.278 1.00 0.00 C ATOM 1317 O ALA A 98 9.521 9.920 -7.495 1.00 0.00 O ATOM 1318 CB ALA A 98 11.573 8.338 -6.528 1.00 0.00 C ATOM 0 H ALA A 98 9.432 7.001 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 98 10.944 9.380 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.107 9.200 -6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.269 7.703 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.132 7.771 -7.348 1.00 0.00 H new ATOM 1324 N GLY A 99 8.594 10.329 -5.474 1.00 0.00 N ATOM 1325 CA GLY A 99 7.589 11.241 -5.995 1.00 0.00 C ATOM 1326 C GLY A 99 6.582 11.624 -4.910 1.00 0.00 C ATOM 1327 O GLY A 99 6.872 12.459 -4.055 1.00 0.00 O ATOM 0 H GLY A 99 8.557 10.185 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.072 12.139 -6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.068 10.775 -6.831 1.00 0.00 H new ATOM 1331 N PRO A 100 5.386 10.980 -4.982 1.00 0.00 N ATOM 1332 CA PRO A 100 4.333 11.245 -4.016 1.00 0.00 C ATOM 1333 C PRO A 100 4.646 10.588 -2.670 1.00 0.00 C ATOM 1334 O PRO A 100 4.516 11.219 -1.622 1.00 0.00 O ATOM 1335 CB PRO A 100 3.065 10.707 -4.659 1.00 0.00 C ATOM 1336 CG PRO A 100 3.523 9.750 -5.747 1.00 0.00 C ATOM 1337 CD PRO A 100 5.007 9.985 -5.980 1.00 0.00 C ATOM 0 HA PRO A 100 4.229 12.306 -3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.442 10.195 -3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.466 11.516 -5.077 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.342 8.717 -5.448 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.961 9.919 -6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.578 9.064 -5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.197 10.346 -6.991 1.00 0.00 H new ATOM 1345 N VAL A 101 5.052 9.329 -2.742 1.00 0.00 N ATOM 1346 CA VAL A 101 5.384 8.580 -1.542 1.00 0.00 C ATOM 1347 C VAL A 101 6.847 8.834 -1.176 1.00 0.00 C ATOM 1348 O VAL A 101 7.731 8.728 -2.024 1.00 0.00 O ATOM 1349 CB VAL A 101 5.069 7.097 -1.748 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.424 6.283 -0.502 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.602 6.896 -2.133 1.00 0.00 C ATOM 0 H VAL A 101 5.159 8.809 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 101 4.776 8.915 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 101 5.684 6.736 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.190 5.232 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.488 6.388 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.847 6.648 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.405 5.833 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.962 7.282 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.393 7.429 -3.060 1.00 0.00 H new ATOM 1361 N HIS A 102 7.058 9.166 0.090 1.00 0.00 N ATOM 1362 CA HIS A 102 8.399 9.437 0.579 1.00 0.00 C ATOM 1363 C HIS A 102 8.821 8.337 1.555 1.00 0.00 C ATOM 1364 O HIS A 102 9.905 7.770 1.425 1.00 0.00 O ATOM 1365 CB HIS A 102 8.482 10.837 1.191 1.00 0.00 C ATOM 1366 CG HIS A 102 7.679 11.880 0.451 1.00 0.00 C ATOM 1367 ND1 HIS A 102 7.253 13.057 1.041 1.00 0.00 N ATOM 1368 CD2 HIS A 102 7.229 11.910 -0.836 1.00 0.00 C ATOM 1369 CE1 HIS A 102 6.578 13.756 0.141 1.00 0.00 C ATOM 1370 NE2 HIS A 102 6.564 13.044 -1.022 1.00 0.00 N ATOM 0 H HIS A 102 6.323 9.253 0.791 1.00 0.00 H new ATOM 0 HA HIS A 102 9.103 9.426 -0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 102 8.136 10.792 2.224 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.526 11.149 1.218 1.00 0.00 H new ATOM 0 HD2 HIS A 102 7.387 11.141 -1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.119 14.721 0.300 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.117 13.335 -1.891 1.00 0.00 H new ATOM 1378 N ALA A 103 7.943 8.069 2.510 1.00 0.00 N ATOM 1379 CA ALA A 103 8.211 7.047 3.507 1.00 0.00 C ATOM 1380 C ALA A 103 7.020 6.090 3.584 1.00 0.00 C ATOM 1381 O ALA A 103 5.963 6.449 4.100 1.00 0.00 O ATOM 1382 CB ALA A 103 8.512 7.712 4.852 1.00 0.00 C ATOM 0 H ALA A 103 7.045 8.542 2.614 1.00 0.00 H new ATOM 0 HA ALA A 103 9.087 6.461 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.713 6.945 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.384 8.358 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.654 8.307 5.164 1.00 0.00 H new ATOM 1388 N LEU A 104 7.231 4.890 3.062 1.00 0.00 N ATOM 1389 CA LEU A 104 6.188 3.879 3.065 1.00 0.00 C ATOM 1390 C LEU A 104 6.662 2.665 3.867 1.00 0.00 C ATOM 1391 O LEU A 104 7.680 2.059 3.538 1.00 0.00 O ATOM 1392 CB LEU A 104 5.764 3.543 1.634 1.00 0.00 C ATOM 1393 CG LEU A 104 4.349 2.985 1.467 1.00 0.00 C ATOM 1394 CD1 LEU A 104 3.650 3.615 0.260 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.368 1.457 1.385 1.00 0.00 C ATOM 0 H LEU A 104 8.109 4.596 2.634 1.00 0.00 H new ATOM 0 HA LEU A 104 5.292 4.257 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.851 4.446 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.469 2.818 1.228 1.00 0.00 H new ATOM 0 HG LEU A 104 3.770 3.253 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.646 3.201 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.586 4.694 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.220 3.399 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.350 1.086 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.969 1.146 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.799 1.049 2.299 1.00 0.00 H new ATOM 1407 N ALA A 105 5.901 2.348 4.904 1.00 0.00 N ATOM 1408 CA ALA A 105 6.231 1.217 5.755 1.00 0.00 C ATOM 1409 C ALA A 105 5.652 -0.061 5.146 1.00 0.00 C ATOM 1410 O ALA A 105 4.485 -0.382 5.361 1.00 0.00 O ATOM 1411 CB ALA A 105 5.710 1.475 7.171 1.00 0.00 C ATOM 0 H ALA A 105 5.058 2.854 5.174 1.00 0.00 H new ATOM 0 HA ALA A 105 7.312 1.090 5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.957 0.627 7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.173 2.377 7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.628 1.605 7.143 1.00 0.00 H new ATOM 1417 N ILE A 106 6.496 -0.755 4.396 1.00 0.00 N ATOM 1418 CA ILE A 106 6.083 -1.991 3.753 1.00 0.00 C ATOM 1419 C ILE A 106 6.295 -3.159 4.719 1.00 0.00 C ATOM 1420 O ILE A 106 7.239 -3.153 5.508 1.00 0.00 O ATOM 1421 CB ILE A 106 6.799 -2.164 2.413 1.00 0.00 C ATOM 1422 CG1 ILE A 106 6.747 -0.873 1.593 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.236 -3.357 1.639 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.325 -1.089 0.193 1.00 0.00 C ATOM 0 H ILE A 106 7.464 -0.485 4.219 1.00 0.00 H new ATOM 0 HA ILE A 106 5.019 -1.960 3.517 1.00 0.00 H new ATOM 0 HB ILE A 106 7.849 -2.377 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.716 -0.529 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.307 -0.090 2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.763 -3.457 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.369 -4.266 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.174 -3.199 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.276 -0.156 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.364 -1.410 0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.748 -1.855 -0.325 1.00 0.00 H new ATOM 1436 N GLN A 107 5.402 -4.133 4.625 1.00 0.00 N ATOM 1437 CA GLN A 107 5.480 -5.305 5.481 1.00 0.00 C ATOM 1438 C GLN A 107 5.697 -6.564 4.638 1.00 0.00 C ATOM 1439 O GLN A 107 4.742 -7.137 4.116 1.00 0.00 O ATOM 1440 CB GLN A 107 4.227 -5.435 6.348 1.00 0.00 C ATOM 1441 CG GLN A 107 4.594 -5.761 7.797 1.00 0.00 C ATOM 1442 CD GLN A 107 4.116 -4.660 8.745 1.00 0.00 C ATOM 1443 OE1 GLN A 107 4.373 -3.483 8.551 1.00 0.00 O ATOM 1444 NE2 GLN A 107 3.409 -5.106 9.780 1.00 0.00 N ATOM 0 H GLN A 107 4.621 -4.135 3.969 1.00 0.00 H new ATOM 0 HA GLN A 107 6.333 -5.187 6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.659 -4.506 6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.583 -6.218 5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.146 -6.712 8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.674 -5.878 7.885 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.230 -6.105 9.883 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.046 -4.449 10.471 1.00 0.00 H new ATOM 1453 N ALA A 108 6.958 -6.956 4.532 1.00 0.00 N ATOM 1454 CA ALA A 108 7.312 -8.136 3.762 1.00 0.00 C ATOM 1455 C ALA A 108 7.323 -9.357 4.684 1.00 0.00 C ATOM 1456 O ALA A 108 8.206 -9.493 5.529 1.00 0.00 O ATOM 1457 CB ALA A 108 8.660 -7.912 3.074 1.00 0.00 C ATOM 0 H ALA A 108 7.747 -6.477 4.966 1.00 0.00 H new ATOM 0 HA ALA A 108 6.575 -8.320 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 108 8.925 -8.798 2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.590 -7.052 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.426 -7.727 3.827 1.00 0.00 H new ATOM 1463 N LYS A 109 6.332 -10.215 4.489 1.00 0.00 N ATOM 1464 CA LYS A 109 6.217 -11.420 5.293 1.00 0.00 C ATOM 1465 C LYS A 109 5.929 -12.612 4.378 1.00 0.00 C ATOM 1466 O LYS A 109 5.529 -12.435 3.228 1.00 0.00 O ATOM 1467 CB LYS A 109 5.178 -11.229 6.399 1.00 0.00 C ATOM 1468 CG LYS A 109 5.420 -9.923 7.159 1.00 0.00 C ATOM 1469 CD LYS A 109 5.347 -10.147 8.671 1.00 0.00 C ATOM 1470 CE LYS A 109 5.242 -8.816 9.417 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.607 -8.990 10.841 1.00 0.00 N ATOM 0 H LYS A 109 5.602 -10.100 3.786 1.00 0.00 H new ATOM 0 HA LYS A 109 7.157 -11.629 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.178 -11.222 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.220 -12.070 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.397 -9.520 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.678 -9.182 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.485 -10.770 8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.233 -10.687 9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.899 -8.080 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.226 -8.429 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.530 -8.077 11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.963 -9.677 11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.584 -9.339 10.909 1.00 0.00 H new ATOM 1485 N THR A 110 6.144 -13.801 4.922 1.00 0.00 N ATOM 1486 CA THR A 110 5.913 -15.022 4.170 1.00 0.00 C ATOM 1487 C THR A 110 4.551 -15.620 4.529 1.00 0.00 C ATOM 1488 O THR A 110 3.951 -15.246 5.535 1.00 0.00 O ATOM 1489 CB THR A 110 7.083 -15.971 4.437 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.428 -15.722 5.797 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.341 -15.584 3.656 1.00 0.00 C ATOM 0 H THR A 110 6.476 -13.944 5.876 1.00 0.00 H new ATOM 0 HA THR A 110 5.874 -14.825 3.099 1.00 0.00 H new ATOM 0 HB THR A 110 6.792 -16.988 4.175 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.341 -16.036 5.966 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.141 -16.289 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.127 -15.607 2.587 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.652 -14.579 3.942 1.00 0.00 H new ATOM 1499 N PRO A 111 4.092 -16.564 3.664 1.00 0.00 N ATOM 1500 CA PRO A 111 2.812 -17.217 3.880 1.00 0.00 C ATOM 1501 C PRO A 111 2.906 -18.247 5.008 1.00 0.00 C ATOM 1502 O PRO A 111 1.921 -18.909 5.332 1.00 0.00 O ATOM 1503 CB PRO A 111 2.455 -17.836 2.538 1.00 0.00 C ATOM 1504 CG PRO A 111 3.754 -17.906 1.752 1.00 0.00 C ATOM 1505 CD PRO A 111 4.776 -17.031 2.462 1.00 0.00 C ATOM 0 HA PRO A 111 2.035 -16.524 4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.023 -18.828 2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.714 -17.232 2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.109 -18.935 1.691 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.601 -17.561 0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.675 -17.595 2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 111 5.087 -16.196 1.834 1.00 0.00 H new ATOM 1513 N ALA A 112 4.099 -18.350 5.574 1.00 0.00 N ATOM 1514 CA ALA A 112 4.334 -19.288 6.659 1.00 0.00 C ATOM 1515 C ALA A 112 4.449 -18.519 7.977 1.00 0.00 C ATOM 1516 O ALA A 112 4.274 -19.092 9.051 1.00 0.00 O ATOM 1517 CB ALA A 112 5.585 -20.115 6.356 1.00 0.00 C ATOM 0 H ALA A 112 4.914 -17.800 5.302 1.00 0.00 H new ATOM 0 HA ALA A 112 3.499 -19.982 6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.762 -20.819 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.441 -20.664 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.444 -19.452 6.257 1.00 0.00 H new ATOM 1523 N GLN A 113 4.741 -17.233 7.851 1.00 0.00 N ATOM 1524 CA GLN A 113 4.881 -16.379 9.019 1.00 0.00 C ATOM 1525 C GLN A 113 3.569 -15.644 9.298 1.00 0.00 C ATOM 1526 O GLN A 113 3.160 -15.514 10.451 1.00 0.00 O ATOM 1527 CB GLN A 113 6.036 -15.392 8.841 1.00 0.00 C ATOM 1528 CG GLN A 113 7.375 -16.126 8.743 1.00 0.00 C ATOM 1529 CD GLN A 113 8.079 -16.167 10.101 1.00 0.00 C ATOM 1530 OE1 GLN A 113 8.960 -15.376 10.396 1.00 0.00 O ATOM 1531 NE2 GLN A 113 7.643 -17.130 10.907 1.00 0.00 N ATOM 0 H GLN A 113 4.885 -16.761 6.958 1.00 0.00 H new ATOM 0 HA GLN A 113 5.113 -17.007 9.879 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.876 -14.798 7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.058 -14.698 9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.211 -17.142 8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.014 -15.629 8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 113 6.902 -17.758 10.597 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.050 -17.241 11.836 1.00 0.00 H new ATOM 1540 N TRP A 114 2.946 -15.181 8.225 1.00 0.00 N ATOM 1541 CA TRP A 114 1.689 -14.462 8.340 1.00 0.00 C ATOM 1542 C TRP A 114 0.714 -15.338 9.129 1.00 0.00 C ATOM 1543 O TRP A 114 -0.109 -14.829 9.888 1.00 0.00 O ATOM 1544 CB TRP A 114 1.155 -14.065 6.962 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.230 -13.417 6.994 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.423 -14.012 6.864 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.518 -12.014 7.174 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.456 -13.100 6.947 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.888 -11.846 7.142 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.349 -10.923 7.359 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.511 -10.601 7.286 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.290 -9.685 7.502 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.667 -9.500 7.471 1.00 0.00 C ATOM 0 H TRP A 114 3.289 -15.290 7.270 1.00 0.00 H new ATOM 0 HA TRP A 114 1.829 -13.525 8.878 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.858 -13.373 6.497 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.115 -14.952 6.330 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.560 -15.073 6.713 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.452 -13.308 6.878 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.423 -11.031 7.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.585 -10.496 7.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.331 -8.813 7.646 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.084 -8.511 7.589 1.00 0.00 H new ATOM 1564 N ARG A 115 0.839 -16.641 8.923 1.00 0.00 N ATOM 1565 CA ARG A 115 -0.021 -17.592 9.606 1.00 0.00 C ATOM 1566 C ARG A 115 0.155 -17.474 11.121 1.00 0.00 C ATOM 1567 O ARG A 115 -0.825 -17.361 11.856 1.00 0.00 O ATOM 1568 CB ARG A 115 0.292 -19.026 9.173 1.00 0.00 C ATOM 1569 CG ARG A 115 -0.003 -19.227 7.685 1.00 0.00 C ATOM 1570 CD ARG A 115 0.346 -20.650 7.244 1.00 0.00 C ATOM 1571 NE ARG A 115 -0.719 -21.182 6.365 1.00 0.00 N ATOM 1572 CZ ARG A 115 -0.636 -22.345 5.704 1.00 0.00 C ATOM 1573 NH1 ARG A 115 0.463 -23.103 5.818 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -1.652 -22.749 4.929 1.00 0.00 N ATOM 0 H ARG A 115 1.523 -17.060 8.293 1.00 0.00 H new ATOM 0 HA ARG A 115 -1.052 -17.360 9.338 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.340 -19.249 9.373 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.301 -19.725 9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.057 -19.030 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.569 -18.510 7.097 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.300 -20.653 6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 115 0.463 -21.292 8.117 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.569 -20.629 6.255 1.00 0.00 H new ATOM 0 HH11 ARG A 115 1.236 -22.795 6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.526 -23.988 5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.488 -22.171 4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.589 -23.634 4.426 1.00 0.00 H new ATOM 1588 N GLU A 116 1.410 -17.506 11.543 1.00 0.00 N ATOM 1589 CA GLU A 116 1.727 -17.404 12.958 1.00 0.00 C ATOM 1590 C GLU A 116 1.145 -16.114 13.540 1.00 0.00 C ATOM 1591 O GLU A 116 0.365 -16.154 14.490 1.00 0.00 O ATOM 1592 CB GLU A 116 3.237 -17.477 13.188 1.00 0.00 C ATOM 1593 CG GLU A 116 3.621 -18.777 13.898 1.00 0.00 C ATOM 1594 CD GLU A 116 3.386 -18.669 15.406 1.00 0.00 C ATOM 1595 OE1 GLU A 116 3.776 -17.622 15.967 1.00 0.00 O ATOM 1596 OE2 GLU A 116 2.822 -19.635 15.963 1.00 0.00 O ATOM 0 H GLU A 116 2.220 -17.601 10.930 1.00 0.00 H new ATOM 0 HA GLU A 116 1.273 -18.250 13.474 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.758 -17.413 12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.559 -16.624 13.785 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.036 -19.603 13.494 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.669 -19.005 13.705 1.00 0.00 H new ATOM 1603 N ASN A 117 1.548 -15.000 12.946 1.00 0.00 N ATOM 1604 CA ASN A 117 1.076 -13.700 13.394 1.00 0.00 C ATOM 1605 C ASN A 117 0.688 -12.857 12.178 1.00 0.00 C ATOM 1606 O ASN A 117 1.475 -12.035 11.711 1.00 0.00 O ATOM 1607 CB ASN A 117 2.169 -12.952 14.160 1.00 0.00 C ATOM 1608 CG ASN A 117 1.569 -11.851 15.037 1.00 0.00 C ATOM 1609 OD1 ASN A 117 0.844 -12.104 15.986 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.909 -10.620 14.668 1.00 0.00 N ATOM 0 H ASN A 117 2.196 -14.971 12.159 1.00 0.00 H new ATOM 0 HA ASN A 117 0.220 -13.859 14.050 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.727 -13.653 14.781 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.878 -12.515 13.456 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.559 -9.816 15.189 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.520 -10.479 13.863 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.558 -13.095 11.688 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.061 -12.366 10.536 1.00 0.00 C ATOM 1619 C PRO A 118 -1.446 -10.935 10.917 1.00 0.00 C ATOM 1620 O PRO A 118 -1.758 -10.121 10.050 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.239 -13.185 10.036 1.00 0.00 C ATOM 1622 CG PRO A 118 -2.641 -14.086 11.192 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.518 -14.060 12.216 1.00 0.00 C ATOM 0 HA PRO A 118 -0.312 -12.250 9.752 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.065 -12.539 9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.963 -13.773 9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.573 -13.740 11.639 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.814 -15.103 10.841 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -1.884 -13.758 13.197 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.066 -15.045 12.333 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.412 -10.673 12.215 1.00 0.00 N ATOM 1632 CA GLN A 119 -1.754 -9.355 12.722 1.00 0.00 C ATOM 1633 C GLN A 119 -0.662 -8.347 12.359 1.00 0.00 C ATOM 1634 O GLN A 119 0.498 -8.524 12.728 1.00 0.00 O ATOM 1635 CB GLN A 119 -1.986 -9.392 14.234 1.00 0.00 C ATOM 1636 CG GLN A 119 -3.076 -10.402 14.597 1.00 0.00 C ATOM 1637 CD GLN A 119 -4.308 -9.698 15.167 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -4.432 -8.484 15.136 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -5.211 -10.524 15.689 1.00 0.00 N ATOM 0 H GLN A 119 -1.153 -11.351 12.931 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.685 -9.037 12.253 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.058 -9.655 14.742 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -2.272 -8.401 14.586 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -3.356 -10.974 13.712 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.689 -11.113 15.327 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -5.045 -11.530 15.683 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -6.069 -10.151 16.095 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.071 -7.312 11.640 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.141 -6.276 11.223 1.00 0.00 C ATOM 1650 C LEU A 120 -0.022 -5.228 12.332 1.00 0.00 C ATOM 1651 O LEU A 120 -0.600 -5.387 13.406 1.00 0.00 O ATOM 1652 CB LEU A 120 -0.558 -5.696 9.870 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.349 -6.605 8.658 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.284 -6.213 7.511 1.00 0.00 C ATOM 1655 CD2 LEU A 120 1.118 -6.612 8.224 1.00 0.00 C ATOM 0 H LEU A 120 -2.034 -7.169 11.336 1.00 0.00 H new ATOM 0 HA LEU A 120 0.854 -6.694 11.071 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.614 -5.429 9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.003 -4.772 9.706 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.604 -7.624 8.948 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.115 -6.875 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.320 -6.301 7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.084 -5.183 7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.239 -7.266 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.424 -5.600 7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.738 -6.975 9.044 1.00 0.00 H new ATOM 1667 N ASP A 121 0.731 -4.180 12.032 1.00 0.00 N ATOM 1668 CA ASP A 121 0.934 -3.106 12.990 1.00 0.00 C ATOM 1669 C ASP A 121 0.781 -1.760 12.280 1.00 0.00 C ATOM 1670 O ASP A 121 1.769 -1.162 11.856 1.00 0.00 O ATOM 1671 CB ASP A 121 2.337 -3.165 13.595 1.00 0.00 C ATOM 1672 CG ASP A 121 2.512 -4.181 14.726 1.00 0.00 C ATOM 1673 OD1 ASP A 121 1.865 -3.978 15.776 1.00 0.00 O ATOM 1674 OD2 ASP A 121 3.289 -5.137 14.514 1.00 0.00 O ATOM 0 H ASP A 121 1.208 -4.052 11.140 1.00 0.00 H new ATOM 0 HA ASP A 121 0.195 -3.218 13.783 1.00 0.00 H new ATOM 0 HB2 ASP A 121 3.048 -3.400 12.803 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.595 -2.176 13.973 1.00 0.00 H new ATOM 1679 N ILE A 122 -0.465 -1.322 12.172 1.00 0.00 N ATOM 1680 CA ILE A 122 -0.759 -0.057 11.520 1.00 0.00 C ATOM 1681 C ILE A 122 -0.800 1.055 12.570 1.00 0.00 C ATOM 1682 O ILE A 122 0.074 1.921 12.597 1.00 0.00 O ATOM 1683 CB ILE A 122 -2.040 -0.167 10.690 1.00 0.00 C ATOM 1684 CG1 ILE A 122 -1.935 -1.300 9.667 1.00 0.00 C ATOM 1685 CG2 ILE A 122 -2.383 1.170 10.031 1.00 0.00 C ATOM 1686 CD1 ILE A 122 -0.928 -0.955 8.568 1.00 0.00 C ATOM 0 H ILE A 122 -1.282 -1.820 12.525 1.00 0.00 H new ATOM 0 HA ILE A 122 0.030 0.200 10.813 1.00 0.00 H new ATOM 0 HB ILE A 122 -2.862 -0.415 11.362 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -1.632 -2.220 10.167 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -2.913 -1.486 9.224 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -3.297 1.064 9.447 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -2.530 1.928 10.801 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -1.567 1.472 9.375 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.873 -1.777 7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -1.247 -0.049 8.054 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.054 -0.793 9.012 1.00 0.00 H new ATOM 1698 N SER A 123 -1.824 0.996 13.408 1.00 0.00 N ATOM 1699 CA SER A 123 -1.990 1.988 14.457 1.00 0.00 C ATOM 1700 C SER A 123 -2.574 1.332 15.710 1.00 0.00 C ATOM 1701 O SER A 123 -3.415 0.439 15.613 1.00 0.00 O ATOM 1702 CB SER A 123 -2.888 3.136 13.992 1.00 0.00 C ATOM 1703 OG SER A 123 -4.228 2.708 13.763 1.00 0.00 O ATOM 0 H SER A 123 -2.547 0.277 13.382 1.00 0.00 H new ATOM 0 HA SER A 123 -1.010 2.402 14.694 1.00 0.00 H new ATOM 0 HB2 SER A 123 -2.883 3.926 14.743 1.00 0.00 H new ATOM 0 HB3 SER A 123 -2.483 3.564 13.075 1.00 0.00 H new ATOM 0 HG SER A 123 -4.769 3.470 13.469 1.00 0.00 H new ATOM 1709 N PRO A 124 -2.093 1.812 16.888 1.00 0.00 N ATOM 1710 CA PRO A 124 -2.558 1.282 18.158 1.00 0.00 C ATOM 1711 C PRO A 124 -3.964 1.793 18.484 1.00 0.00 C ATOM 1712 O PRO A 124 -4.376 2.841 17.992 1.00 0.00 O ATOM 1713 CB PRO A 124 -1.516 1.723 19.173 1.00 0.00 C ATOM 1714 CG PRO A 124 -0.758 2.868 18.522 1.00 0.00 C ATOM 1715 CD PRO A 124 -1.098 2.869 17.041 1.00 0.00 C ATOM 0 HA PRO A 124 -2.654 0.196 18.151 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.987 2.045 20.102 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -0.844 0.903 19.424 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -1.036 3.818 18.978 1.00 0.00 H new ATOM 0 HG3 PRO A 124 0.315 2.747 18.667 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -1.494 3.834 16.726 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -0.215 2.673 16.432 1.00 0.00 H new ATOM 1723 N PRO A 125 -4.678 1.006 19.333 1.00 0.00 N ATOM 1724 CA PRO A 125 -6.028 1.368 19.730 1.00 0.00 C ATOM 1725 C PRO A 125 -6.013 2.511 20.747 1.00 0.00 C ATOM 1726 O PRO A 125 -4.957 2.876 21.261 1.00 0.00 O ATOM 1727 CB PRO A 125 -6.631 0.088 20.286 1.00 0.00 C ATOM 1728 CG PRO A 125 -5.455 -0.821 20.608 1.00 0.00 C ATOM 1729 CD PRO A 125 -4.221 -0.243 19.935 1.00 0.00 C ATOM 0 HA PRO A 125 -6.623 1.746 18.899 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -7.224 0.291 21.178 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -7.297 -0.378 19.560 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.307 -0.886 21.686 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -5.646 -1.833 20.251 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -3.423 -0.066 20.656 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.825 -0.924 19.182 1.00 0.00 H new ATOM 1737 N CYS A 126 -7.197 3.046 21.006 1.00 0.00 N ATOM 1738 CA CYS A 126 -7.334 4.141 21.951 1.00 0.00 C ATOM 1739 C CYS A 126 -6.452 5.297 21.477 1.00 0.00 C ATOM 1740 O CYS A 126 -5.334 5.469 21.960 1.00 0.00 O ATOM 1741 CB CYS A 126 -6.985 3.704 23.376 1.00 0.00 C ATOM 1742 SG CYS A 126 -8.069 4.562 24.576 1.00 0.00 S ATOM 0 H CYS A 126 -8.071 2.741 20.577 1.00 0.00 H new ATOM 0 HA CYS A 126 -8.373 4.468 21.985 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -7.103 2.625 23.474 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -5.941 3.931 23.590 1.00 0.00 H new ATOM 0 HG CYS A 126 -7.767 4.183 25.782 1.00 0.00 H new ATOM 1748 N LEU A 127 -6.989 6.061 20.537 1.00 0.00 N ATOM 1749 CA LEU A 127 -6.265 7.197 19.992 1.00 0.00 C ATOM 1750 C LEU A 127 -7.091 8.469 20.195 1.00 0.00 C ATOM 1751 O LEU A 127 -6.706 9.347 20.965 1.00 0.00 O ATOM 1752 CB LEU A 127 -5.882 6.939 18.533 1.00 0.00 C ATOM 1753 CG LEU A 127 -4.995 5.719 18.278 1.00 0.00 C ATOM 1754 CD1 LEU A 127 -4.913 5.403 16.783 1.00 0.00 C ATOM 1755 CD2 LEU A 127 -3.610 5.908 18.900 1.00 0.00 C ATOM 0 H LEU A 127 -7.917 5.916 20.139 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.324 7.339 20.524 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -6.798 6.825 17.952 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -5.370 7.822 18.151 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.452 4.857 18.765 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.276 4.532 16.630 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -5.912 5.195 16.400 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.492 6.257 16.253 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.000 5.026 18.704 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.132 6.785 18.463 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.711 6.048 19.976 1.00 0.00 H new ATOM 1767 N GLY A 128 -8.212 8.526 19.492 1.00 0.00 N ATOM 1768 CA GLY A 128 -9.096 9.675 19.585 1.00 0.00 C ATOM 1769 C GLY A 128 -10.405 9.305 20.286 1.00 0.00 C ATOM 1770 O GLY A 128 -11.468 9.815 19.935 1.00 0.00 O ATOM 0 H GLY A 128 -8.529 7.795 18.855 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.600 10.476 20.133 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.309 10.056 18.586 1.00 0.00 H new TER 1774 GLY A 128