USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 690 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 5 TYR OH : rot 86:sc= 0.218 USER MOD Set 1.2: A 34 CYS SG : rot 91:sc= 0.29 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0422) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0188 (180deg=-0.0283) USER MOD Single : A 2 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.013) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 69:sc= 0.15 USER MOD Single : A 28 THR OG1 : rot 152:sc= 0.574 USER MOD Single : A 31 CYS SG : rot -162:sc= -0.0565 USER MOD Single : A 33 HIS : no HD1:sc= -0.0077 X(o=-0.0077,f=0) USER MOD Single : A 35 GLN : amide:sc= 1.31 K(o=1.3,f=-0.033) USER MOD Single : A 38 GLN : amide:sc= -0.0291 K(o=-0.029,f=-1.7) USER MOD Single : A 46 SER OG : rot 79:sc= 0.701 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -0.985 K(o=-0.98,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 0.943 (180deg=0.941) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.675 K(o=0.67,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= 0.608 (180deg=0.606) USER MOD Single : A 75 THR OG1 : rot -170:sc= -0.0848 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.544 -1.571 13.880 1.00 0.00 N ATOM 2 CA MET A 1 17.141 -1.300 14.206 1.00 0.00 C ATOM 3 C MET A 1 16.156 -2.202 13.439 1.00 0.00 C ATOM 4 O MET A 1 16.500 -2.808 12.422 1.00 0.00 O ATOM 5 CB MET A 1 16.829 0.196 13.997 1.00 0.00 C ATOM 6 CG MET A 1 16.942 0.644 12.533 1.00 0.00 C ATOM 7 SD MET A 1 16.547 2.387 12.224 1.00 0.00 S ATOM 8 CE MET A 1 14.752 2.366 12.457 1.00 0.00 C ATOM 0 H1 MET A 1 19.034 -0.675 13.683 1.00 0.00 H new ATOM 0 H2 MET A 1 19.002 -2.046 14.684 1.00 0.00 H new ATOM 0 H3 MET A 1 18.593 -2.185 13.042 1.00 0.00 H new ATOM 0 HA MET A 1 16.999 -1.545 15.259 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.821 0.403 14.356 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.511 0.790 14.605 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.958 0.452 12.189 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.279 0.025 11.929 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.338 3.336 12.181 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.313 1.591 11.828 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.523 2.158 13.502 1.00 0.00 H new ATOM 16 N LYS A 2 14.906 -2.269 13.909 1.00 0.00 N ATOM 17 CA LYS A 2 13.810 -2.954 13.207 1.00 0.00 C ATOM 18 C LYS A 2 13.384 -2.204 11.922 1.00 0.00 C ATOM 19 O LYS A 2 13.383 -0.967 11.892 1.00 0.00 O ATOM 20 CB LYS A 2 12.603 -3.135 14.154 1.00 0.00 C ATOM 21 CG LYS A 2 12.888 -3.854 15.484 1.00 0.00 C ATOM 22 CD LYS A 2 13.399 -5.292 15.289 1.00 0.00 C ATOM 23 CE LYS A 2 13.615 -6.019 16.630 1.00 0.00 C ATOM 24 NZ LYS A 2 12.338 -6.311 17.341 1.00 0.00 N ATOM 0 H LYS A 2 14.622 -1.847 14.793 1.00 0.00 H new ATOM 0 HA LYS A 2 14.176 -3.934 12.901 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.192 -2.151 14.377 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.830 -3.690 13.623 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.627 -3.285 16.048 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.977 -3.875 16.082 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.684 -5.851 14.685 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.337 -5.271 14.734 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.147 -6.953 16.450 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.251 -5.408 17.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.536 -6.874 18.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.881 -5.418 17.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.705 -6.845 16.712 1.00 0.00 H new ATOM 34 N THR A 3 12.993 -2.947 10.882 1.00 0.00 N ATOM 35 CA THR A 3 12.436 -2.429 9.616 1.00 0.00 C ATOM 36 C THR A 3 10.941 -2.143 9.736 1.00 0.00 C ATOM 37 O THR A 3 10.246 -2.704 10.586 1.00 0.00 O ATOM 38 CB THR A 3 12.716 -3.384 8.450 1.00 0.00 C ATOM 39 OG1 THR A 3 12.405 -4.711 8.823 1.00 0.00 O ATOM 40 CG2 THR A 3 14.199 -3.319 8.056 1.00 0.00 C ATOM 0 H THR A 3 13.056 -3.965 10.893 1.00 0.00 H new ATOM 0 HA THR A 3 12.939 -1.485 9.406 1.00 0.00 H new ATOM 0 HB THR A 3 12.097 -3.083 7.605 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.586 -5.313 8.071 1.00 0.00 H new ATOM 0 HG21 THR A 3 14.385 -4.002 7.227 1.00 0.00 H new ATOM 0 HG22 THR A 3 14.451 -2.303 7.753 1.00 0.00 H new ATOM 0 HG23 THR A 3 14.815 -3.607 8.908 1.00 0.00 H new ATOM 48 N ARG A 4 10.455 -1.258 8.864 1.00 0.00 N ATOM 49 CA ARG A 4 9.057 -0.809 8.794 1.00 0.00 C ATOM 50 C ARG A 4 8.132 -1.788 8.061 1.00 0.00 C ATOM 51 O ARG A 4 6.933 -1.875 8.327 1.00 0.00 O ATOM 52 CB ARG A 4 9.039 0.543 8.067 1.00 0.00 C ATOM 53 CG ARG A 4 9.752 1.648 8.865 1.00 0.00 C ATOM 54 CD ARG A 4 10.097 2.829 7.959 1.00 0.00 C ATOM 55 NE ARG A 4 11.311 2.566 7.158 1.00 0.00 N ATOM 56 CZ ARG A 4 11.855 3.386 6.268 1.00 0.00 C ATOM 57 NH1 ARG A 4 11.313 4.548 5.979 1.00 0.00 N ATOM 58 NH2 ARG A 4 12.957 3.042 5.644 1.00 0.00 N ATOM 0 H ARG A 4 11.044 -0.815 8.159 1.00 0.00 H new ATOM 0 HA ARG A 4 8.678 -0.738 9.813 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.518 0.435 7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.006 0.840 7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.113 1.984 9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.662 1.250 9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.259 3.034 7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.248 3.722 8.566 1.00 0.00 H new ATOM 0 HE ARG A 4 11.775 1.669 7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.453 4.839 6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.753 5.159 5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.396 2.143 5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.374 3.673 4.960 1.00 0.00 H new ATOM 69 N TYR A 5 8.720 -2.513 7.118 1.00 0.00 N ATOM 70 CA TYR A 5 8.087 -3.544 6.282 1.00 0.00 C ATOM 71 C TYR A 5 8.066 -4.949 6.916 1.00 0.00 C ATOM 72 O TYR A 5 8.859 -5.238 7.814 1.00 0.00 O ATOM 73 CB TYR A 5 8.814 -3.607 4.934 1.00 0.00 C ATOM 74 CG TYR A 5 8.424 -2.497 3.985 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.982 -1.213 4.110 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.437 -2.756 3.016 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.594 -0.197 3.217 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.015 -1.730 2.147 1.00 0.00 C ATOM 79 CZ TYR A 5 7.631 -0.458 2.215 1.00 0.00 C ATOM 80 OH TYR A 5 7.314 0.525 1.332 1.00 0.00 O ATOM 0 H TYR A 5 9.709 -2.396 6.898 1.00 0.00 H new ATOM 0 HA TYR A 5 7.044 -3.250 6.165 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.889 -3.564 5.108 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.605 -4.567 4.462 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.704 -1.007 4.886 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.003 -3.742 2.938 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.034 0.786 3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.226 -1.914 1.433 1.00 0.00 H new ATOM 0 HH TYR A 5 7.952 0.514 0.588 1.00 0.00 H new ATOM 89 N SER A 6 7.196 -5.831 6.413 1.00 0.00 N ATOM 90 CA SER A 6 7.069 -7.208 6.904 1.00 0.00 C ATOM 91 C SER A 6 7.173 -8.274 5.796 1.00 0.00 C ATOM 92 O SER A 6 6.440 -8.250 4.804 1.00 0.00 O ATOM 93 CB SER A 6 5.733 -7.369 7.647 1.00 0.00 C ATOM 94 OG SER A 6 5.668 -6.531 8.795 1.00 0.00 O ATOM 0 H SER A 6 6.557 -5.609 5.650 1.00 0.00 H new ATOM 0 HA SER A 6 7.911 -7.375 7.576 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.910 -7.129 6.974 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.606 -8.409 7.947 1.00 0.00 H new ATOM 0 HG SER A 6 4.806 -6.656 9.243 1.00 0.00 H new ATOM 99 N ALA A 7 8.072 -9.256 5.980 1.00 0.00 N ATOM 100 CA ALA A 7 8.237 -10.407 5.082 1.00 0.00 C ATOM 101 C ALA A 7 7.236 -11.543 5.377 1.00 0.00 C ATOM 102 O ALA A 7 6.769 -12.216 4.458 1.00 0.00 O ATOM 103 CB ALA A 7 9.688 -10.899 5.205 1.00 0.00 C ATOM 0 H ALA A 7 8.715 -9.270 6.772 1.00 0.00 H new ATOM 0 HA ALA A 7 8.025 -10.091 4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.839 -11.755 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.369 -10.098 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.886 -11.194 6.236 1.00 0.00 H new ATOM 109 N GLU A 8 6.868 -11.729 6.647 1.00 0.00 N ATOM 110 CA GLU A 8 5.902 -12.736 7.115 1.00 0.00 C ATOM 111 C GLU A 8 4.446 -12.270 6.894 1.00 0.00 C ATOM 112 O GLU A 8 3.587 -12.395 7.771 1.00 0.00 O ATOM 113 CB GLU A 8 6.190 -13.105 8.585 1.00 0.00 C ATOM 114 CG GLU A 8 7.580 -13.714 8.792 1.00 0.00 C ATOM 115 CD GLU A 8 7.778 -14.171 10.243 1.00 0.00 C ATOM 116 OE1 GLU A 8 8.184 -13.337 11.091 1.00 0.00 O ATOM 117 OE2 GLU A 8 7.542 -15.362 10.552 1.00 0.00 O ATOM 0 H GLU A 8 7.246 -11.164 7.408 1.00 0.00 H new ATOM 0 HA GLU A 8 6.023 -13.641 6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.096 -12.212 9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.435 -13.812 8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.711 -14.562 8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.343 -12.980 8.532 1.00 0.00 H new ATOM 122 N ALA A 9 4.167 -11.673 5.726 1.00 0.00 N ATOM 123 CA ALA A 9 2.857 -11.137 5.364 1.00 0.00 C ATOM 124 C ALA A 9 1.792 -12.239 5.143 1.00 0.00 C ATOM 125 O ALA A 9 2.136 -13.361 4.744 1.00 0.00 O ATOM 126 CB ALA A 9 2.992 -10.245 4.124 1.00 0.00 C ATOM 0 H ALA A 9 4.866 -11.549 4.993 1.00 0.00 H new ATOM 0 HA ALA A 9 2.502 -10.543 6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.014 -9.846 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.673 -9.422 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.385 -10.833 3.294 1.00 0.00 H new ATOM 132 N PRO A 10 0.500 -11.912 5.344 1.00 0.00 N ATOM 133 CA PRO A 10 -0.625 -12.807 5.078 1.00 0.00 C ATOM 134 C PRO A 10 -0.820 -13.064 3.579 1.00 0.00 C ATOM 135 O PRO A 10 -0.327 -12.321 2.732 1.00 0.00 O ATOM 136 CB PRO A 10 -1.838 -12.094 5.686 1.00 0.00 C ATOM 137 CG PRO A 10 -1.467 -10.621 5.567 1.00 0.00 C ATOM 138 CD PRO A 10 0.018 -10.636 5.859 1.00 0.00 C ATOM 0 HA PRO A 10 -0.463 -13.794 5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.755 -12.324 5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.000 -12.387 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.682 -10.227 4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.015 -10.005 6.280 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.522 -9.800 5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.209 -10.546 6.928 1.00 0.00 H new ATOM 143 N ALA A 11 -1.575 -14.124 3.260 1.00 0.00 N ATOM 144 CA ALA A 11 -1.951 -14.501 1.894 1.00 0.00 C ATOM 145 C ALA A 11 -3.290 -13.874 1.465 1.00 0.00 C ATOM 146 O ALA A 11 -4.109 -13.497 2.303 1.00 0.00 O ATOM 147 CB ALA A 11 -1.989 -16.032 1.816 1.00 0.00 C ATOM 0 H ALA A 11 -1.950 -14.759 3.965 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.210 -14.113 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.267 -16.338 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.005 -16.433 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.722 -16.414 2.526 1.00 0.00 H new ATOM 153 N ARG A 12 -3.553 -13.816 0.151 1.00 0.00 N ATOM 154 CA ARG A 12 -4.735 -13.144 -0.432 1.00 0.00 C ATOM 155 C ARG A 12 -6.073 -13.753 0.041 1.00 0.00 C ATOM 156 O ARG A 12 -7.056 -13.023 0.168 1.00 0.00 O ATOM 157 CB ARG A 12 -4.594 -13.129 -1.973 1.00 0.00 C ATOM 158 CG ARG A 12 -4.659 -11.718 -2.593 1.00 0.00 C ATOM 159 CD ARG A 12 -6.061 -11.276 -3.040 1.00 0.00 C ATOM 160 NE ARG A 12 -6.998 -11.107 -1.918 1.00 0.00 N ATOM 161 CZ ARG A 12 -7.854 -10.113 -1.724 1.00 0.00 C ATOM 162 NH1 ARG A 12 -7.900 -9.034 -2.474 1.00 0.00 N ATOM 163 NH2 ARG A 12 -8.707 -10.204 -0.731 1.00 0.00 N ATOM 0 H ARG A 12 -2.945 -14.239 -0.550 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.764 -12.116 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.645 -13.592 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.384 -13.742 -2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.281 -10.999 -1.866 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.991 -11.683 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.982 -10.335 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.464 -12.014 -3.734 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.988 -11.839 -1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.253 -8.928 -3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.582 -8.303 -2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.702 -11.027 -0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.375 -9.452 -0.562 1.00 0.00 H new ATOM 174 N ASP A 13 -6.106 -15.038 0.393 1.00 0.00 N ATOM 175 CA ASP A 13 -7.261 -15.702 1.031 1.00 0.00 C ATOM 176 C ASP A 13 -7.541 -15.212 2.469 1.00 0.00 C ATOM 177 O ASP A 13 -8.670 -15.283 2.949 1.00 0.00 O ATOM 178 CB ASP A 13 -6.997 -17.214 1.061 1.00 0.00 C ATOM 179 CG ASP A 13 -8.246 -18.014 1.471 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.103 -18.272 0.595 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.358 -18.386 2.663 1.00 0.00 O ATOM 0 H ASP A 13 -5.317 -15.667 0.243 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.142 -15.453 0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.664 -17.543 0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.187 -17.426 1.759 1.00 0.00 H new ATOM 185 N GLU A 14 -6.515 -14.702 3.153 1.00 0.00 N ATOM 186 CA GLU A 14 -6.624 -14.079 4.474 1.00 0.00 C ATOM 187 C GLU A 14 -7.031 -12.595 4.347 1.00 0.00 C ATOM 188 O GLU A 14 -7.712 -12.067 5.222 1.00 0.00 O ATOM 189 CB GLU A 14 -5.281 -14.227 5.208 1.00 0.00 C ATOM 190 CG GLU A 14 -5.428 -14.238 6.733 1.00 0.00 C ATOM 191 CD GLU A 14 -5.968 -15.584 7.258 1.00 0.00 C ATOM 192 OE1 GLU A 14 -5.189 -16.561 7.340 1.00 0.00 O ATOM 193 OE2 GLU A 14 -7.164 -15.674 7.622 1.00 0.00 O ATOM 0 H GLU A 14 -5.560 -14.711 2.794 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.402 -14.579 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.799 -15.151 4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.623 -13.408 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.460 -14.034 7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.100 -13.436 7.037 1.00 0.00 H new ATOM 198 N LEU A 15 -6.678 -11.925 3.240 1.00 0.00 N ATOM 199 CA LEU A 15 -7.159 -10.575 2.922 1.00 0.00 C ATOM 200 C LEU A 15 -8.634 -10.560 2.483 1.00 0.00 C ATOM 201 O LEU A 15 -9.302 -9.546 2.648 1.00 0.00 O ATOM 202 CB LEU A 15 -6.269 -9.924 1.847 1.00 0.00 C ATOM 203 CG LEU A 15 -4.939 -9.336 2.372 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.856 -10.391 2.614 1.00 0.00 C ATOM 205 CD2 LEU A 15 -4.392 -8.352 1.339 1.00 0.00 C ATOM 0 H LEU A 15 -6.047 -12.308 2.537 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.096 -9.991 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.044 -10.668 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.834 -9.129 1.361 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.167 -8.862 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.951 -9.906 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.208 -11.111 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.637 -10.908 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.453 -7.931 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.219 -8.872 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.113 -7.550 1.183 1.00 0.00 H new ATOM 216 N ASP A 16 -9.173 -11.670 1.974 1.00 0.00 N ATOM 217 CA ASP A 16 -10.612 -11.824 1.673 1.00 0.00 C ATOM 218 C ASP A 16 -11.491 -11.664 2.934 1.00 0.00 C ATOM 219 O ASP A 16 -12.670 -11.313 2.840 1.00 0.00 O ATOM 220 CB ASP A 16 -10.831 -13.200 1.023 1.00 0.00 C ATOM 221 CG ASP A 16 -12.312 -13.552 0.804 1.00 0.00 C ATOM 222 OD1 ASP A 16 -12.998 -12.806 0.067 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.779 -14.576 1.358 1.00 0.00 O ATOM 0 H ASP A 16 -8.623 -12.500 1.754 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.914 -11.033 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.315 -13.225 0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.374 -13.965 1.650 1.00 0.00 H new ATOM 227 N ARG A 17 -10.896 -11.870 4.115 1.00 0.00 N ATOM 228 CA ARG A 17 -11.551 -11.789 5.422 1.00 0.00 C ATOM 229 C ARG A 17 -11.706 -10.342 5.936 1.00 0.00 C ATOM 230 O ARG A 17 -12.415 -10.115 6.924 1.00 0.00 O ATOM 231 CB ARG A 17 -10.760 -12.612 6.447 1.00 0.00 C ATOM 232 CG ARG A 17 -10.328 -14.011 5.963 1.00 0.00 C ATOM 233 CD ARG A 17 -11.452 -14.927 5.471 1.00 0.00 C ATOM 234 NE ARG A 17 -10.886 -16.116 4.804 1.00 0.00 N ATOM 235 CZ ARG A 17 -11.378 -17.352 4.808 1.00 0.00 C ATOM 236 NH1 ARG A 17 -12.495 -17.661 5.439 1.00 0.00 N ATOM 237 NH2 ARG A 17 -10.749 -18.314 4.176 1.00 0.00 N ATOM 0 H ARG A 17 -9.906 -12.107 4.187 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.556 -12.192 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.870 -12.051 6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.366 -12.726 7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.607 -13.888 5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.809 -14.512 6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.075 -15.234 6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.096 -14.385 4.779 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.021 -15.974 4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.011 -16.941 5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.843 -18.620 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.880 -18.115 3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.129 -19.261 4.181 1.00 0.00 H new ATOM 248 N LEU A 18 -11.024 -9.381 5.299 1.00 0.00 N ATOM 249 CA LEU A 18 -11.053 -7.958 5.667 1.00 0.00 C ATOM 250 C LEU A 18 -12.429 -7.305 5.426 1.00 0.00 C ATOM 251 O LEU A 18 -13.307 -7.878 4.778 1.00 0.00 O ATOM 252 CB LEU A 18 -9.964 -7.190 4.884 1.00 0.00 C ATOM 253 CG LEU A 18 -8.513 -7.459 5.308 1.00 0.00 C ATOM 254 CD1 LEU A 18 -7.552 -6.908 4.246 1.00 0.00 C ATOM 255 CD2 LEU A 18 -8.220 -6.793 6.656 1.00 0.00 C ATOM 0 H LEU A 18 -10.424 -9.574 4.497 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.856 -7.902 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.064 -7.435 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.158 -6.122 4.983 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.371 -8.535 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.523 -7.101 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.745 -7.397 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.704 -5.834 4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.188 -6.992 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.372 -5.717 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.892 -7.195 7.414 1.00 0.00 H new ATOM 266 N ALA A 19 -12.600 -6.075 5.933 1.00 0.00 N ATOM 267 CA ALA A 19 -13.852 -5.312 5.831 1.00 0.00 C ATOM 268 C ALA A 19 -13.664 -3.790 5.717 1.00 0.00 C ATOM 269 O ALA A 19 -14.285 -3.164 4.853 1.00 0.00 O ATOM 270 CB ALA A 19 -14.721 -5.683 7.035 1.00 0.00 C ATOM 0 H ALA A 19 -11.863 -5.576 6.432 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.339 -5.585 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.660 -5.132 6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.927 -6.753 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.196 -5.428 7.955 1.00 0.00 H new ATOM 276 N GLY A 20 -12.805 -3.188 6.544 1.00 0.00 N ATOM 277 CA GLY A 20 -12.554 -1.741 6.535 1.00 0.00 C ATOM 278 C GLY A 20 -11.591 -1.305 5.416 1.00 0.00 C ATOM 279 O GLY A 20 -11.008 -2.166 4.748 1.00 0.00 O ATOM 0 H GLY A 20 -12.260 -3.692 7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.501 -1.214 6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.141 -1.443 7.499 1.00 0.00 H new ATOM 283 N PRO A 21 -11.413 0.014 5.196 1.00 0.00 N ATOM 284 CA PRO A 21 -10.493 0.537 4.189 1.00 0.00 C ATOM 285 C PRO A 21 -9.060 0.167 4.576 1.00 0.00 C ATOM 286 O PRO A 21 -8.561 0.603 5.616 1.00 0.00 O ATOM 287 CB PRO A 21 -10.740 2.051 4.137 1.00 0.00 C ATOM 288 CG PRO A 21 -11.298 2.377 5.521 1.00 0.00 C ATOM 289 CD PRO A 21 -12.064 1.110 5.905 1.00 0.00 C ATOM 0 HA PRO A 21 -10.653 0.115 3.197 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.820 2.600 3.937 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.446 2.314 3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.502 2.596 6.233 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.952 3.249 5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.035 0.949 6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -13.114 1.188 5.622 1.00 0.00 H new ATOM 294 N THR A 22 -8.414 -0.663 3.748 1.00 0.00 N ATOM 295 CA THR A 22 -7.081 -1.229 4.003 1.00 0.00 C ATOM 296 C THR A 22 -6.221 -1.092 2.759 1.00 0.00 C ATOM 297 O THR A 22 -6.502 -1.690 1.726 1.00 0.00 O ATOM 298 CB THR A 22 -7.180 -2.700 4.428 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.011 -2.806 5.558 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.813 -3.277 4.823 1.00 0.00 C ATOM 0 H THR A 22 -8.812 -0.968 2.860 1.00 0.00 H new ATOM 0 HA THR A 22 -6.619 -0.676 4.821 1.00 0.00 H new ATOM 0 HB THR A 22 -7.576 -3.252 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.936 -2.606 5.304 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.930 -4.320 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.132 -3.213 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.406 -2.708 5.659 1.00 0.00 H new ATOM 308 N LEU A 23 -5.144 -0.317 2.859 1.00 0.00 N ATOM 309 CA LEU A 23 -4.144 -0.174 1.813 1.00 0.00 C ATOM 310 C LEU A 23 -3.086 -1.274 1.957 1.00 0.00 C ATOM 311 O LEU A 23 -2.545 -1.480 3.043 1.00 0.00 O ATOM 312 CB LEU A 23 -3.556 1.243 1.889 1.00 0.00 C ATOM 313 CG LEU A 23 -2.591 1.594 0.738 1.00 0.00 C ATOM 314 CD1 LEU A 23 -3.234 1.336 -0.617 1.00 0.00 C ATOM 315 CD2 LEU A 23 -2.128 3.038 0.870 1.00 0.00 C ATOM 0 H LEU A 23 -4.941 0.240 3.689 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.586 -0.296 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.374 1.963 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.028 1.354 2.836 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.717 0.946 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.530 1.593 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.503 0.283 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.131 1.948 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.447 3.278 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.991 3.702 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.614 3.170 1.822 1.00 0.00 H new ATOM 326 N VAL A 24 -2.775 -1.972 0.868 1.00 0.00 N ATOM 327 CA VAL A 24 -1.726 -2.999 0.813 1.00 0.00 C ATOM 328 C VAL A 24 -0.590 -2.483 -0.057 1.00 0.00 C ATOM 329 O VAL A 24 -0.804 -2.262 -1.244 1.00 0.00 O ATOM 330 CB VAL A 24 -2.272 -4.339 0.259 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.210 -5.445 0.363 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.544 -4.802 0.995 1.00 0.00 C ATOM 0 H VAL A 24 -3.253 -1.840 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.364 -3.195 1.822 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.524 -4.159 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.615 -6.377 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.330 -5.159 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.931 -5.584 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.887 -5.745 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.322 -4.940 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.324 -4.049 0.883 1.00 0.00 H new ATOM 342 N GLU A 25 0.585 -2.277 0.534 1.00 0.00 N ATOM 343 CA GLU A 25 1.775 -1.688 -0.089 1.00 0.00 C ATOM 344 C GLU A 25 2.886 -2.722 -0.311 1.00 0.00 C ATOM 345 O GLU A 25 3.273 -3.441 0.614 1.00 0.00 O ATOM 346 CB GLU A 25 2.274 -0.542 0.802 1.00 0.00 C ATOM 347 CG GLU A 25 3.515 0.189 0.280 1.00 0.00 C ATOM 348 CD GLU A 25 4.046 1.244 1.259 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.377 0.887 2.414 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.200 2.416 0.848 1.00 0.00 O ATOM 0 H GLU A 25 0.744 -2.528 1.510 1.00 0.00 H new ATOM 0 HA GLU A 25 1.502 -1.311 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.468 0.182 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.495 -0.941 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.301 -0.539 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.275 0.670 -0.668 1.00 0.00 H new ATOM 355 N PHE A 26 3.423 -2.747 -1.534 1.00 0.00 N ATOM 356 CA PHE A 26 4.518 -3.617 -1.956 1.00 0.00 C ATOM 357 C PHE A 26 5.803 -2.788 -2.088 1.00 0.00 C ATOM 358 O PHE A 26 5.825 -1.753 -2.767 1.00 0.00 O ATOM 359 CB PHE A 26 4.115 -4.296 -3.279 1.00 0.00 C ATOM 360 CG PHE A 26 2.720 -4.900 -3.222 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.493 -6.086 -2.497 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.635 -4.215 -3.806 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.178 -6.560 -2.328 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.327 -4.706 -3.647 1.00 0.00 C ATOM 365 CZ PHE A 26 0.095 -5.868 -2.895 1.00 0.00 C ATOM 0 H PHE A 26 3.093 -2.138 -2.283 1.00 0.00 H new ATOM 0 HA PHE A 26 4.713 -4.397 -1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.158 -3.565 -4.087 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.836 -5.078 -3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.324 -6.630 -2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.808 -3.314 -4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.001 -7.461 -1.759 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.502 -4.187 -4.105 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.913 -6.229 -2.753 1.00 0.00 H new ATOM 374 N GLY A 27 6.866 -3.215 -1.400 1.00 0.00 N ATOM 375 CA GLY A 27 8.122 -2.469 -1.301 1.00 0.00 C ATOM 376 C GLY A 27 9.137 -3.116 -0.366 1.00 0.00 C ATOM 377 O GLY A 27 8.963 -4.269 0.016 1.00 0.00 O ATOM 0 H GLY A 27 6.878 -4.099 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.561 -2.377 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.910 -1.459 -0.952 1.00 0.00 H new ATOM 381 N THR A 28 10.178 -2.378 0.034 1.00 0.00 N ATOM 382 CA THR A 28 11.119 -2.739 1.108 1.00 0.00 C ATOM 383 C THR A 28 11.534 -1.495 1.889 1.00 0.00 C ATOM 384 O THR A 28 11.164 -0.370 1.553 1.00 0.00 O ATOM 385 CB THR A 28 12.369 -3.470 0.586 1.00 0.00 C ATOM 386 OG1 THR A 28 13.074 -2.623 -0.291 1.00 0.00 O ATOM 387 CG2 THR A 28 12.056 -4.793 -0.114 1.00 0.00 C ATOM 0 H THR A 28 10.399 -1.479 -0.395 1.00 0.00 H new ATOM 0 HA THR A 28 10.593 -3.431 1.766 1.00 0.00 H new ATOM 0 HB THR A 28 12.976 -3.718 1.457 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.026 -2.855 -0.275 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.984 -5.252 -0.456 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.554 -5.464 0.583 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.407 -4.607 -0.970 1.00 0.00 H new ATOM 395 N ASP A 29 12.323 -1.691 2.939 1.00 0.00 N ATOM 396 CA ASP A 29 12.864 -0.603 3.756 1.00 0.00 C ATOM 397 C ASP A 29 13.999 0.139 3.024 1.00 0.00 C ATOM 398 O ASP A 29 14.313 1.276 3.371 1.00 0.00 O ATOM 399 CB ASP A 29 13.324 -1.205 5.101 1.00 0.00 C ATOM 400 CG ASP A 29 13.287 -0.173 6.230 1.00 0.00 C ATOM 401 OD1 ASP A 29 14.253 0.607 6.386 1.00 0.00 O ATOM 402 OD2 ASP A 29 12.262 -0.121 6.946 1.00 0.00 O ATOM 0 H ASP A 29 12.610 -2.618 3.253 1.00 0.00 H new ATOM 0 HA ASP A 29 12.097 0.149 3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.684 -2.049 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.337 -1.594 4.997 1.00 0.00 H new ATOM 406 N TRP A 30 14.585 -0.484 1.995 1.00 0.00 N ATOM 407 CA TRP A 30 15.907 -0.162 1.460 1.00 0.00 C ATOM 408 C TRP A 30 15.964 0.179 -0.043 1.00 0.00 C ATOM 409 O TRP A 30 16.939 0.804 -0.466 1.00 0.00 O ATOM 410 CB TRP A 30 16.828 -1.351 1.786 1.00 0.00 C ATOM 411 CG TRP A 30 16.340 -2.717 1.389 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.789 -3.625 2.222 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.375 -3.352 0.074 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.474 -4.776 1.516 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.786 -4.645 0.179 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.841 -2.958 -1.197 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.626 -5.487 -0.932 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.689 -3.798 -2.316 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.070 -5.055 -2.192 1.00 0.00 C ATOM 0 H TRP A 30 14.134 -1.252 1.497 1.00 0.00 H new ATOM 0 HA TRP A 30 16.229 0.764 1.936 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.789 -1.179 1.300 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.010 -1.355 2.861 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.619 -3.477 3.278 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.064 -5.612 1.932 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.321 -1.998 -1.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.166 -6.458 -0.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.052 -3.474 -3.280 1.00 0.00 H new ATOM 0 HH2 TRP A 30 15.937 -5.684 -3.060 1.00 0.00 H new ATOM 429 N CYS A 31 14.965 -0.183 -0.864 1.00 0.00 N ATOM 430 CA CYS A 31 14.980 0.119 -2.307 1.00 0.00 C ATOM 431 C CYS A 31 14.804 1.626 -2.575 1.00 0.00 C ATOM 432 O CYS A 31 14.011 2.291 -1.900 1.00 0.00 O ATOM 433 CB CYS A 31 13.907 -0.700 -3.035 1.00 0.00 C ATOM 434 SG CYS A 31 13.989 -0.364 -4.832 1.00 0.00 S ATOM 0 H CYS A 31 14.134 -0.687 -0.553 1.00 0.00 H new ATOM 0 HA CYS A 31 15.957 -0.165 -2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 31 14.057 -1.763 -2.847 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.919 -0.445 -2.652 1.00 0.00 H new ATOM 0 HG CYS A 31 12.876 -0.732 -5.393 1.00 0.00 H new ATOM 439 N GLY A 32 15.505 2.157 -3.587 1.00 0.00 N ATOM 440 CA GLY A 32 15.432 3.559 -4.025 1.00 0.00 C ATOM 441 C GLY A 32 14.062 3.963 -4.574 1.00 0.00 C ATOM 442 O GLY A 32 13.685 5.124 -4.440 1.00 0.00 O ATOM 0 H GLY A 32 16.160 1.605 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.682 4.206 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.186 3.730 -4.793 1.00 0.00 H new ATOM 446 N HIS A 33 13.277 3.018 -5.102 1.00 0.00 N ATOM 447 CA HIS A 33 11.852 3.235 -5.371 1.00 0.00 C ATOM 448 C HIS A 33 11.084 3.544 -4.078 1.00 0.00 C ATOM 449 O HIS A 33 10.314 4.506 -4.001 1.00 0.00 O ATOM 450 CB HIS A 33 11.249 1.977 -6.014 1.00 0.00 C ATOM 451 CG HIS A 33 11.498 1.772 -7.484 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.692 0.555 -8.090 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.321 2.695 -8.481 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.627 0.733 -9.420 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.404 2.026 -9.717 1.00 0.00 N ATOM 0 H HIS A 33 13.609 2.087 -5.354 1.00 0.00 H new ATOM 0 HA HIS A 33 11.764 4.086 -6.046 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.634 1.107 -5.481 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.171 1.998 -5.853 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.148 3.752 -8.343 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.739 -0.054 -10.151 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.314 2.437 -10.646 1.00 0.00 H new ATOM 463 N CYS A 34 11.326 2.749 -3.034 1.00 0.00 N ATOM 464 CA CYS A 34 10.706 2.919 -1.728 1.00 0.00 C ATOM 465 C CYS A 34 11.161 4.171 -0.999 1.00 0.00 C ATOM 466 O CYS A 34 10.343 4.784 -0.333 1.00 0.00 O ATOM 467 CB CYS A 34 10.973 1.668 -0.898 1.00 0.00 C ATOM 468 SG CYS A 34 9.659 0.502 -1.313 1.00 0.00 S ATOM 0 H CYS A 34 11.969 1.958 -3.078 1.00 0.00 H new ATOM 0 HA CYS A 34 9.635 3.053 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.953 1.249 -1.128 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.967 1.899 0.167 1.00 0.00 H new ATOM 0 HG CYS A 34 10.043 -0.251 -2.300 1.00 0.00 H new ATOM 473 N GLN A 35 12.414 4.607 -1.135 1.00 0.00 N ATOM 474 CA GLN A 35 12.895 5.781 -0.390 1.00 0.00 C ATOM 475 C GLN A 35 12.169 7.067 -0.820 1.00 0.00 C ATOM 476 O GLN A 35 12.095 8.029 -0.057 1.00 0.00 O ATOM 477 CB GLN A 35 14.404 5.986 -0.549 1.00 0.00 C ATOM 478 CG GLN A 35 15.269 4.774 -0.210 1.00 0.00 C ATOM 479 CD GLN A 35 14.921 4.059 1.092 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.181 4.538 2.188 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.356 2.877 1.005 1.00 0.00 N ATOM 0 H GLN A 35 13.109 4.175 -1.744 1.00 0.00 H new ATOM 0 HA GLN A 35 12.675 5.578 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.607 6.279 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.709 6.818 0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.195 4.057 -1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.309 5.095 -0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.141 2.481 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.132 2.355 1.852 1.00 0.00 H new ATOM 488 N ALA A 36 11.624 7.057 -2.039 1.00 0.00 N ATOM 489 CA ALA A 36 10.774 8.106 -2.597 1.00 0.00 C ATOM 490 C ALA A 36 9.299 7.973 -2.164 1.00 0.00 C ATOM 491 O ALA A 36 8.672 8.974 -1.808 1.00 0.00 O ATOM 492 CB ALA A 36 10.932 8.046 -4.126 1.00 0.00 C ATOM 0 H ALA A 36 11.770 6.285 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 36 11.087 9.078 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.312 8.815 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.976 8.214 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.620 7.065 -4.486 1.00 0.00 H new ATOM 498 N ALA A 37 8.741 6.753 -2.167 1.00 0.00 N ATOM 499 CA ALA A 37 7.336 6.498 -1.829 1.00 0.00 C ATOM 500 C ALA A 37 7.054 6.441 -0.313 1.00 0.00 C ATOM 501 O ALA A 37 5.953 6.792 0.111 1.00 0.00 O ATOM 502 CB ALA A 37 6.893 5.212 -2.520 1.00 0.00 C ATOM 0 H ALA A 37 9.260 5.908 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 37 6.754 7.347 -2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.850 5.010 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.000 5.323 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.512 4.383 -2.178 1.00 0.00 H new ATOM 508 N GLN A 38 8.034 6.046 0.503 1.00 0.00 N ATOM 509 CA GLN A 38 7.935 5.965 1.966 1.00 0.00 C ATOM 510 C GLN A 38 7.518 7.307 2.604 1.00 0.00 C ATOM 511 O GLN A 38 6.487 7.326 3.287 1.00 0.00 O ATOM 512 CB GLN A 38 9.280 5.489 2.542 1.00 0.00 C ATOM 513 CG GLN A 38 9.526 3.968 2.515 1.00 0.00 C ATOM 514 CD GLN A 38 10.997 3.618 2.784 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.823 4.460 3.115 1.00 0.00 O ATOM 516 NE2 GLN A 38 11.405 2.373 2.662 1.00 0.00 N ATOM 0 H GLN A 38 8.950 5.764 0.154 1.00 0.00 H new ATOM 0 HA GLN A 38 7.152 5.247 2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.083 5.977 1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.352 5.830 3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.896 3.486 3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.230 3.570 1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.745 1.645 2.388 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.381 2.136 2.841 1.00 0.00 H new ATOM 523 N PRO A 39 8.239 8.434 2.390 1.00 0.00 N ATOM 524 CA PRO A 39 7.833 9.734 2.919 1.00 0.00 C ATOM 525 C PRO A 39 6.578 10.285 2.225 1.00 0.00 C ATOM 526 O PRO A 39 5.906 11.146 2.782 1.00 0.00 O ATOM 527 CB PRO A 39 9.035 10.661 2.716 1.00 0.00 C ATOM 528 CG PRO A 39 9.695 10.089 1.470 1.00 0.00 C ATOM 529 CD PRO A 39 9.484 8.589 1.645 1.00 0.00 C ATOM 0 HA PRO A 39 7.560 9.652 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.727 11.697 2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.708 10.645 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.230 10.461 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.753 10.347 1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.423 8.090 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.318 8.139 2.184 1.00 0.00 H new ATOM 534 N LEU A 40 6.233 9.768 1.037 1.00 0.00 N ATOM 535 CA LEU A 40 5.023 10.143 0.308 1.00 0.00 C ATOM 536 C LEU A 40 3.801 9.662 1.083 1.00 0.00 C ATOM 537 O LEU A 40 2.983 10.487 1.488 1.00 0.00 O ATOM 538 CB LEU A 40 5.064 9.522 -1.104 1.00 0.00 C ATOM 539 CG LEU A 40 4.757 10.444 -2.287 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.507 11.291 -2.044 1.00 0.00 C ATOM 541 CD2 LEU A 40 5.948 11.331 -2.649 1.00 0.00 C ATOM 0 H LEU A 40 6.797 9.069 0.553 1.00 0.00 H new ATOM 0 HA LEU A 40 4.964 11.227 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.056 9.097 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.355 8.694 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 40 4.558 9.793 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.327 11.930 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.649 10.637 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.654 11.910 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.684 11.968 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.212 11.953 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.799 10.705 -2.919 1.00 0.00 H new ATOM 552 N LEU A 41 3.737 8.346 1.343 1.00 0.00 N ATOM 553 CA LEU A 41 2.681 7.719 2.132 1.00 0.00 C ATOM 554 C LEU A 41 2.641 8.376 3.509 1.00 0.00 C ATOM 555 O LEU A 41 1.577 8.812 3.924 1.00 0.00 O ATOM 556 CB LEU A 41 2.851 6.186 2.232 1.00 0.00 C ATOM 557 CG LEU A 41 2.156 5.351 1.127 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.686 5.696 0.898 1.00 0.00 C ATOM 559 CD2 LEU A 41 2.967 5.418 -0.168 1.00 0.00 C ATOM 0 H LEU A 41 4.433 7.683 1.002 1.00 0.00 H new ATOM 0 HA LEU A 41 1.727 7.875 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.917 5.957 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.469 5.861 3.200 1.00 0.00 H new ATOM 0 HG LEU A 41 2.135 4.323 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.282 5.063 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.126 5.530 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.599 6.742 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.471 4.828 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.043 6.455 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.966 5.019 0.007 1.00 0.00 H new ATOM 570 N ALA A 42 3.790 8.558 4.163 1.00 0.00 N ATOM 571 CA ALA A 42 3.870 9.204 5.482 1.00 0.00 C ATOM 572 C ALA A 42 3.200 10.593 5.528 1.00 0.00 C ATOM 573 O ALA A 42 2.536 10.920 6.513 1.00 0.00 O ATOM 574 CB ALA A 42 5.343 9.278 5.897 1.00 0.00 C ATOM 0 H ALA A 42 4.694 8.262 3.796 1.00 0.00 H new ATOM 0 HA ALA A 42 3.307 8.598 6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.422 9.755 6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.757 8.271 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.899 9.861 5.163 1.00 0.00 H new ATOM 580 N GLU A 43 3.327 11.388 4.456 1.00 0.00 N ATOM 581 CA GLU A 43 2.693 12.709 4.356 1.00 0.00 C ATOM 582 C GLU A 43 1.168 12.603 4.152 1.00 0.00 C ATOM 583 O GLU A 43 0.421 13.273 4.867 1.00 0.00 O ATOM 584 CB GLU A 43 3.322 13.525 3.219 1.00 0.00 C ATOM 585 CG GLU A 43 4.706 14.076 3.598 1.00 0.00 C ATOM 586 CD GLU A 43 4.616 15.312 4.507 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.382 16.431 3.989 1.00 0.00 O ATOM 588 OE2 GLU A 43 4.810 15.187 5.739 1.00 0.00 O ATOM 0 H GLU A 43 3.873 11.132 3.633 1.00 0.00 H new ATOM 0 HA GLU A 43 2.866 13.222 5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.413 12.899 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.662 14.353 2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.278 13.298 4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.252 14.335 2.691 1.00 0.00 H new ATOM 593 N VAL A 44 0.694 11.757 3.231 1.00 0.00 N ATOM 594 CA VAL A 44 -0.753 11.581 2.984 1.00 0.00 C ATOM 595 C VAL A 44 -1.473 10.941 4.183 1.00 0.00 C ATOM 596 O VAL A 44 -2.467 11.482 4.662 1.00 0.00 O ATOM 597 CB VAL A 44 -1.049 10.837 1.652 1.00 0.00 C ATOM 598 CG1 VAL A 44 -0.298 9.542 1.440 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.530 10.508 1.489 1.00 0.00 C ATOM 0 H VAL A 44 1.289 11.178 2.639 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.166 12.583 2.868 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.705 11.558 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.582 9.110 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.774 9.738 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.544 8.843 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.685 9.989 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.853 9.869 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.111 11.430 1.496 1.00 0.00 H new ATOM 609 N PHE A 45 -0.944 9.820 4.699 1.00 0.00 N ATOM 610 CA PHE A 45 -1.554 8.991 5.745 1.00 0.00 C ATOM 611 C PHE A 45 -1.751 9.732 7.077 1.00 0.00 C ATOM 612 O PHE A 45 -2.619 9.357 7.868 1.00 0.00 O ATOM 613 CB PHE A 45 -0.717 7.711 5.964 1.00 0.00 C ATOM 614 CG PHE A 45 -1.492 6.414 5.929 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.526 6.184 6.848 1.00 0.00 C ATOM 616 CD2 PHE A 45 -1.179 5.430 4.970 1.00 0.00 C ATOM 617 CE1 PHE A 45 -3.268 5.002 6.785 1.00 0.00 C ATOM 618 CE2 PHE A 45 -1.920 4.240 4.915 1.00 0.00 C ATOM 619 CZ PHE A 45 -2.972 4.025 5.819 1.00 0.00 C ATOM 0 H PHE A 45 -0.045 9.454 4.385 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.550 8.728 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.060 7.671 5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.213 7.787 6.928 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.749 6.921 7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.367 5.592 4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.075 4.838 7.484 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.681 3.489 4.177 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.551 3.114 5.773 1.00 0.00 H new ATOM 628 N SER A 46 -0.991 10.803 7.326 1.00 0.00 N ATOM 629 CA SER A 46 -1.150 11.653 8.518 1.00 0.00 C ATOM 630 C SER A 46 -2.540 12.319 8.620 1.00 0.00 C ATOM 631 O SER A 46 -2.947 12.711 9.717 1.00 0.00 O ATOM 632 CB SER A 46 -0.048 12.724 8.554 1.00 0.00 C ATOM 633 OG SER A 46 1.233 12.150 8.800 1.00 0.00 O ATOM 0 H SER A 46 -0.243 11.109 6.704 1.00 0.00 H new ATOM 0 HA SER A 46 -1.060 10.993 9.381 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.031 13.261 7.606 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.275 13.455 9.330 1.00 0.00 H new ATOM 0 HG SER A 46 1.583 11.763 7.970 1.00 0.00 H new ATOM 638 N ASP A 47 -3.286 12.425 7.512 1.00 0.00 N ATOM 639 CA ASP A 47 -4.676 12.919 7.495 1.00 0.00 C ATOM 640 C ASP A 47 -5.734 11.789 7.468 1.00 0.00 C ATOM 641 O ASP A 47 -6.923 12.057 7.646 1.00 0.00 O ATOM 642 CB ASP A 47 -4.839 13.851 6.291 1.00 0.00 C ATOM 643 CG ASP A 47 -6.045 14.796 6.427 1.00 0.00 C ATOM 644 OD1 ASP A 47 -6.094 15.558 7.421 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.919 14.807 5.528 1.00 0.00 O ATOM 0 H ASP A 47 -2.939 12.167 6.588 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.855 13.455 8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.932 14.443 6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.952 13.253 5.387 1.00 0.00 H new ATOM 649 N TYR A 48 -5.320 10.527 7.274 1.00 0.00 N ATOM 650 CA TYR A 48 -6.201 9.347 7.151 1.00 0.00 C ATOM 651 C TYR A 48 -5.835 8.153 8.074 1.00 0.00 C ATOM 652 O TYR A 48 -5.889 6.998 7.618 1.00 0.00 O ATOM 653 CB TYR A 48 -6.260 8.921 5.667 1.00 0.00 C ATOM 654 CG TYR A 48 -6.535 10.057 4.700 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.829 10.594 4.597 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.484 10.609 3.944 1.00 0.00 C ATOM 657 CE1 TYR A 48 -8.084 11.665 3.723 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.722 11.724 3.113 1.00 0.00 C ATOM 659 CZ TYR A 48 -7.025 12.248 2.989 1.00 0.00 C ATOM 660 OH TYR A 48 -7.258 13.321 2.180 1.00 0.00 O ATOM 0 H TYR A 48 -4.331 10.288 7.195 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.187 9.653 7.502 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.313 8.452 5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.035 8.164 5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.631 10.182 5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.495 10.179 4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.090 12.043 3.612 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.905 12.177 2.571 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.420 13.596 1.752 1.00 0.00 H new ATOM 669 N PRO A 49 -5.505 8.360 9.368 1.00 0.00 N ATOM 670 CA PRO A 49 -5.077 7.289 10.276 1.00 0.00 C ATOM 671 C PRO A 49 -6.134 6.190 10.489 1.00 0.00 C ATOM 672 O PRO A 49 -5.788 5.099 10.929 1.00 0.00 O ATOM 673 CB PRO A 49 -4.709 7.979 11.589 1.00 0.00 C ATOM 674 CG PRO A 49 -5.562 9.245 11.585 1.00 0.00 C ATOM 675 CD PRO A 49 -5.579 9.619 10.104 1.00 0.00 C ATOM 0 HA PRO A 49 -4.232 6.754 9.842 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.933 7.348 12.449 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.645 8.213 11.634 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.565 9.061 11.970 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.125 10.032 12.199 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.487 10.166 9.850 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.738 10.266 9.856 1.00 0.00 H new ATOM 680 N GLU A 50 -7.407 6.446 10.152 1.00 0.00 N ATOM 681 CA GLU A 50 -8.484 5.444 10.167 1.00 0.00 C ATOM 682 C GLU A 50 -8.334 4.336 9.095 1.00 0.00 C ATOM 683 O GLU A 50 -8.987 3.295 9.210 1.00 0.00 O ATOM 684 CB GLU A 50 -9.851 6.147 10.061 1.00 0.00 C ATOM 685 CG GLU A 50 -10.108 6.824 8.702 1.00 0.00 C ATOM 686 CD GLU A 50 -11.440 7.594 8.733 1.00 0.00 C ATOM 687 OE1 GLU A 50 -12.503 6.993 8.447 1.00 0.00 O ATOM 688 OE2 GLU A 50 -11.431 8.803 9.060 1.00 0.00 O ATOM 0 H GLU A 50 -7.722 7.370 9.857 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.412 4.922 11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.638 5.416 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.923 6.898 10.848 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.291 7.506 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.132 6.073 7.913 1.00 0.00 H new ATOM 693 N VAL A 51 -7.497 4.532 8.067 1.00 0.00 N ATOM 694 CA VAL A 51 -7.175 3.512 7.048 1.00 0.00 C ATOM 695 C VAL A 51 -6.100 2.557 7.612 1.00 0.00 C ATOM 696 O VAL A 51 -5.231 2.966 8.379 1.00 0.00 O ATOM 697 CB VAL A 51 -6.751 4.186 5.713 1.00 0.00 C ATOM 698 CG1 VAL A 51 -6.458 3.197 4.577 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.850 5.139 5.210 1.00 0.00 C ATOM 0 H VAL A 51 -7.014 5.417 7.914 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.059 2.917 6.817 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.830 4.717 5.954 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.169 3.747 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.646 2.533 4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.351 2.607 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.532 5.600 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.770 4.578 5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.027 5.915 5.955 1.00 0.00 H new ATOM 709 N GLY A 52 -6.139 1.270 7.242 1.00 0.00 N ATOM 710 CA GLY A 52 -5.095 0.283 7.579 1.00 0.00 C ATOM 711 C GLY A 52 -3.970 0.273 6.541 1.00 0.00 C ATOM 712 O GLY A 52 -4.228 0.559 5.373 1.00 0.00 O ATOM 0 H GLY A 52 -6.904 0.877 6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.682 0.511 8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.540 -0.710 7.643 1.00 0.00 H new ATOM 716 N HIS A 53 -2.737 -0.072 6.916 1.00 0.00 N ATOM 717 CA HIS A 53 -1.615 -0.177 5.966 1.00 0.00 C ATOM 718 C HIS A 53 -0.809 -1.478 6.164 1.00 0.00 C ATOM 719 O HIS A 53 -0.112 -1.631 7.173 1.00 0.00 O ATOM 720 CB HIS A 53 -0.700 1.057 6.099 1.00 0.00 C ATOM 721 CG HIS A 53 0.129 1.380 4.869 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.323 2.074 4.824 1.00 0.00 N ATOM 723 CD2 HIS A 53 -0.202 1.092 3.573 1.00 0.00 C ATOM 724 CE1 HIS A 53 1.701 2.180 3.531 1.00 0.00 C ATOM 725 NE2 HIS A 53 0.778 1.621 2.738 1.00 0.00 N ATOM 0 H HIS A 53 -2.483 -0.287 7.880 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.031 -0.210 4.959 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.317 1.923 6.340 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.026 0.901 6.941 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.831 2.443 5.628 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.077 0.546 3.252 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.613 2.647 3.188 1.00 0.00 H new ATOM 733 N LEU A 54 -0.863 -2.398 5.200 1.00 0.00 N ATOM 734 CA LEU A 54 -0.061 -3.625 5.188 1.00 0.00 C ATOM 735 C LEU A 54 1.200 -3.412 4.345 1.00 0.00 C ATOM 736 O LEU A 54 1.118 -3.231 3.134 1.00 0.00 O ATOM 737 CB LEU A 54 -0.944 -4.792 4.704 1.00 0.00 C ATOM 738 CG LEU A 54 -0.212 -6.136 4.508 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.534 -6.618 5.762 1.00 0.00 C ATOM 740 CD2 LEU A 54 -1.223 -7.198 4.067 1.00 0.00 C ATOM 0 H LEU A 54 -1.477 -2.311 4.390 1.00 0.00 H new ATOM 0 HA LEU A 54 0.286 -3.881 6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.750 -4.938 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.407 -4.508 3.759 1.00 0.00 H new ATOM 0 HG LEU A 54 0.547 -5.977 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.025 -7.568 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.282 -5.878 6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.175 -6.750 6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.712 -8.151 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.992 -7.308 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.685 -6.893 3.128 1.00 0.00 H new ATOM 751 N LYS A 55 2.373 -3.444 4.988 1.00 0.00 N ATOM 752 CA LYS A 55 3.668 -3.284 4.322 1.00 0.00 C ATOM 753 C LYS A 55 4.250 -4.649 3.948 1.00 0.00 C ATOM 754 O LYS A 55 4.824 -5.336 4.794 1.00 0.00 O ATOM 755 CB LYS A 55 4.670 -2.555 5.225 1.00 0.00 C ATOM 756 CG LYS A 55 4.463 -1.055 5.400 1.00 0.00 C ATOM 757 CD LYS A 55 3.303 -0.672 6.315 1.00 0.00 C ATOM 758 CE LYS A 55 3.397 -1.368 7.679 1.00 0.00 C ATOM 759 NZ LYS A 55 2.309 -0.938 8.598 1.00 0.00 N ATOM 0 H LYS A 55 2.449 -3.583 5.996 1.00 0.00 H new ATOM 0 HA LYS A 55 3.499 -2.692 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.642 -3.020 6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.671 -2.717 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.380 -0.620 5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.297 -0.608 4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.295 0.408 6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.360 -0.937 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.349 -2.448 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.363 -1.148 8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.388 -1.456 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.390 0.083 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.387 -1.140 8.162 1.00 0.00 H new ATOM 769 N VAL A 56 4.137 -5.032 2.684 1.00 0.00 N ATOM 770 CA VAL A 56 4.655 -6.304 2.160 1.00 0.00 C ATOM 771 C VAL A 56 6.083 -6.103 1.675 1.00 0.00 C ATOM 772 O VAL A 56 6.327 -5.282 0.788 1.00 0.00 O ATOM 773 CB VAL A 56 3.770 -6.838 1.021 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.266 -8.211 0.532 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.295 -6.965 1.438 1.00 0.00 C ATOM 0 H VAL A 56 3.676 -4.462 1.975 1.00 0.00 H new ATOM 0 HA VAL A 56 4.643 -7.044 2.960 1.00 0.00 H new ATOM 0 HB VAL A 56 3.841 -6.109 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.622 -8.565 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.288 -8.119 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.239 -8.923 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.711 -7.346 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.213 -7.653 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.914 -5.987 1.730 1.00 0.00 H new ATOM 785 N GLU A 57 6.995 -6.876 2.268 1.00 0.00 N ATOM 786 CA GLU A 57 8.410 -6.884 1.924 1.00 0.00 C ATOM 787 C GLU A 57 8.644 -7.660 0.619 1.00 0.00 C ATOM 788 O GLU A 57 9.091 -8.805 0.603 1.00 0.00 O ATOM 789 CB GLU A 57 9.229 -7.402 3.110 1.00 0.00 C ATOM 790 CG GLU A 57 10.655 -6.885 2.990 1.00 0.00 C ATOM 791 CD GLU A 57 11.558 -7.431 4.103 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.333 -7.102 5.291 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.514 -8.181 3.790 1.00 0.00 O ATOM 0 H GLU A 57 6.760 -7.527 3.017 1.00 0.00 H new ATOM 0 HA GLU A 57 8.755 -5.869 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.785 -7.069 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.223 -8.492 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.063 -7.168 2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.650 -5.796 3.028 1.00 0.00 H new ATOM 798 N ASP A 58 8.291 -7.036 -0.503 1.00 0.00 N ATOM 799 CA ASP A 58 8.191 -7.613 -1.849 1.00 0.00 C ATOM 800 C ASP A 58 9.549 -7.630 -2.591 1.00 0.00 C ATOM 801 O ASP A 58 9.605 -7.512 -3.816 1.00 0.00 O ATOM 802 CB ASP A 58 7.091 -6.838 -2.600 1.00 0.00 C ATOM 803 CG ASP A 58 6.501 -7.634 -3.771 1.00 0.00 C ATOM 804 OD1 ASP A 58 5.610 -8.479 -3.522 1.00 0.00 O ATOM 805 OD2 ASP A 58 6.928 -7.408 -4.925 1.00 0.00 O ATOM 0 H ASP A 58 8.050 -6.045 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 58 7.915 -8.666 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.294 -6.580 -1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.503 -5.901 -2.974 1.00 0.00 H new ATOM 809 N GLY A 59 10.653 -7.711 -1.840 1.00 0.00 N ATOM 810 CA GLY A 59 12.029 -7.574 -2.320 1.00 0.00 C ATOM 811 C GLY A 59 12.569 -8.836 -2.996 1.00 0.00 C ATOM 812 O GLY A 59 12.921 -8.741 -4.180 1.00 0.00 O ATOM 0 H GLY A 59 10.607 -7.882 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.078 -6.744 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.674 -7.317 -1.480 1.00 0.00 H new ATOM 816 N PRO A 60 12.659 -9.986 -2.287 1.00 0.00 N ATOM 817 CA PRO A 60 13.267 -11.212 -2.801 1.00 0.00 C ATOM 818 C PRO A 60 12.285 -11.962 -3.721 1.00 0.00 C ATOM 819 O PRO A 60 11.728 -13.010 -3.374 1.00 0.00 O ATOM 820 CB PRO A 60 13.698 -11.997 -1.553 1.00 0.00 C ATOM 821 CG PRO A 60 12.639 -11.605 -0.524 1.00 0.00 C ATOM 822 CD PRO A 60 12.359 -10.143 -0.869 1.00 0.00 C ATOM 0 HA PRO A 60 14.134 -11.033 -3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.707 -13.072 -1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.701 -11.720 -1.227 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.743 -12.220 -0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.005 -11.717 0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.320 -9.888 -0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.977 -9.477 -0.266 1.00 0.00 H new ATOM 827 N GLY A 61 12.052 -11.385 -4.907 1.00 0.00 N ATOM 828 CA GLY A 61 10.978 -11.773 -5.824 1.00 0.00 C ATOM 829 C GLY A 61 9.608 -11.224 -5.397 1.00 0.00 C ATOM 830 O GLY A 61 9.430 -10.732 -4.277 1.00 0.00 O ATOM 0 H GLY A 61 12.621 -10.616 -5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.213 -11.413 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.928 -12.860 -5.879 1.00 0.00 H new ATOM 834 N ARG A 62 8.629 -11.333 -6.298 1.00 0.00 N ATOM 835 CA ARG A 62 7.257 -10.873 -6.039 1.00 0.00 C ATOM 836 C ARG A 62 6.568 -11.796 -5.025 1.00 0.00 C ATOM 837 O ARG A 62 6.395 -12.991 -5.288 1.00 0.00 O ATOM 838 CB ARG A 62 6.457 -10.769 -7.352 1.00 0.00 C ATOM 839 CG ARG A 62 7.095 -9.919 -8.472 1.00 0.00 C ATOM 840 CD ARG A 62 7.292 -8.425 -8.159 1.00 0.00 C ATOM 841 NE ARG A 62 8.381 -8.171 -7.200 1.00 0.00 N ATOM 842 CZ ARG A 62 9.688 -8.188 -7.432 1.00 0.00 C ATOM 843 NH1 ARG A 62 10.188 -8.378 -8.637 1.00 0.00 N ATOM 844 NH2 ARG A 62 10.525 -8.019 -6.434 1.00 0.00 N ATOM 0 H ARG A 62 8.761 -11.740 -7.224 1.00 0.00 H new ATOM 0 HA ARG A 62 7.298 -9.874 -5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.296 -11.776 -7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.475 -10.354 -7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.066 -10.349 -8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.474 -10.004 -9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.501 -7.891 -9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.363 -8.019 -7.760 1.00 0.00 H new ATOM 0 HE ARG A 62 8.097 -7.957 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.564 -8.519 -9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.199 -8.384 -8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.169 -7.876 -5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.531 -8.031 -6.604 1.00 0.00 H new ATOM 855 N ARG A 63 6.184 -11.229 -3.877 1.00 0.00 N ATOM 856 CA ARG A 63 5.506 -11.907 -2.762 1.00 0.00 C ATOM 857 C ARG A 63 3.982 -11.793 -2.972 1.00 0.00 C ATOM 858 O ARG A 63 3.490 -12.222 -4.016 1.00 0.00 O ATOM 859 CB ARG A 63 6.058 -11.324 -1.438 1.00 0.00 C ATOM 860 CG ARG A 63 5.786 -12.222 -0.213 1.00 0.00 C ATOM 861 CD ARG A 63 6.188 -11.563 1.118 1.00 0.00 C ATOM 862 NE ARG A 63 7.614 -11.185 1.165 1.00 0.00 N ATOM 863 CZ ARG A 63 8.643 -11.919 1.571 1.00 0.00 C ATOM 864 NH1 ARG A 63 8.508 -13.160 1.982 1.00 0.00 N ATOM 865 NH2 ARG A 63 9.842 -11.388 1.554 1.00 0.00 N ATOM 0 H ARG A 63 6.344 -10.239 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 63 5.706 -12.977 -2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.133 -11.172 -1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.612 -10.344 -1.267 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.726 -12.473 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.332 -13.158 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.577 -10.675 1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.972 -12.249 1.937 1.00 0.00 H new ATOM 0 HE ARG A 63 7.837 -10.242 0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.585 -13.595 1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.326 -13.689 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.970 -10.428 1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.646 -11.935 1.862 1.00 0.00 H new ATOM 876 N LEU A 64 3.225 -11.180 -2.050 1.00 0.00 N ATOM 877 CA LEU A 64 1.783 -10.913 -2.196 1.00 0.00 C ATOM 878 C LEU A 64 1.470 -10.080 -3.456 1.00 0.00 C ATOM 879 O LEU A 64 0.444 -10.324 -4.088 1.00 0.00 O ATOM 880 CB LEU A 64 1.280 -10.298 -0.878 1.00 0.00 C ATOM 881 CG LEU A 64 -0.250 -10.146 -0.782 1.00 0.00 C ATOM 882 CD1 LEU A 64 -1.013 -11.472 -0.888 1.00 0.00 C ATOM 883 CD2 LEU A 64 -0.625 -9.457 0.535 1.00 0.00 C ATOM 0 H LEU A 64 3.604 -10.848 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 64 1.235 -11.840 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.623 -10.918 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.738 -9.317 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.546 -9.541 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.084 -11.283 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.795 -11.942 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.703 -12.135 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.708 -9.353 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.271 -10.057 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.163 -8.470 0.574 1.00 0.00 H new ATOM 894 N GLY A 65 2.379 -9.204 -3.906 1.00 0.00 N ATOM 895 CA GLY A 65 2.206 -8.401 -5.133 1.00 0.00 C ATOM 896 C GLY A 65 2.091 -9.217 -6.424 1.00 0.00 C ATOM 897 O GLY A 65 1.532 -8.733 -7.413 1.00 0.00 O ATOM 0 H GLY A 65 3.263 -9.029 -3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.311 -7.788 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.050 -7.718 -5.225 1.00 0.00 H new ATOM 901 N ARG A 66 2.539 -10.480 -6.400 1.00 0.00 N ATOM 902 CA ARG A 66 2.293 -11.470 -7.455 1.00 0.00 C ATOM 903 C ARG A 66 0.797 -11.755 -7.602 1.00 0.00 C ATOM 904 O ARG A 66 0.258 -11.707 -8.707 1.00 0.00 O ATOM 905 CB ARG A 66 3.065 -12.754 -7.100 1.00 0.00 C ATOM 906 CG ARG A 66 3.193 -13.731 -8.276 1.00 0.00 C ATOM 907 CD ARG A 66 3.818 -15.068 -7.850 1.00 0.00 C ATOM 908 NE ARG A 66 5.129 -14.910 -7.183 1.00 0.00 N ATOM 909 CZ ARG A 66 6.159 -15.749 -7.220 1.00 0.00 C ATOM 910 NH1 ARG A 66 6.166 -16.837 -7.960 1.00 0.00 N ATOM 911 NH2 ARG A 66 7.212 -15.491 -6.483 1.00 0.00 N ATOM 0 H ARG A 66 3.095 -10.849 -5.629 1.00 0.00 H new ATOM 0 HA ARG A 66 2.640 -11.082 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.062 -12.485 -6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.561 -13.255 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.208 -13.912 -8.705 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.803 -13.279 -9.058 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.134 -15.583 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.938 -15.702 -8.728 1.00 0.00 H new ATOM 0 HE ARG A 66 5.257 -14.061 -6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.357 -17.066 -8.538 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.980 -17.451 -7.956 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.231 -14.658 -5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.012 -16.123 -6.498 1.00 0.00 H new ATOM 922 N SER A 67 0.099 -11.969 -6.487 1.00 0.00 N ATOM 923 CA SER A 67 -1.331 -12.299 -6.448 1.00 0.00 C ATOM 924 C SER A 67 -2.210 -11.101 -6.822 1.00 0.00 C ATOM 925 O SER A 67 -3.295 -11.280 -7.370 1.00 0.00 O ATOM 926 CB SER A 67 -1.714 -12.794 -5.041 1.00 0.00 C ATOM 927 OG SER A 67 -0.865 -13.842 -4.588 1.00 0.00 O ATOM 0 H SER A 67 0.521 -11.917 -5.560 1.00 0.00 H new ATOM 0 HA SER A 67 -1.505 -13.084 -7.184 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.665 -11.961 -4.339 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.746 -13.144 -5.050 1.00 0.00 H new ATOM 0 HG SER A 67 -1.143 -14.124 -3.691 1.00 0.00 H new ATOM 932 N PHE A 68 -1.727 -9.877 -6.586 1.00 0.00 N ATOM 933 CA PHE A 68 -2.360 -8.619 -6.987 1.00 0.00 C ATOM 934 C PHE A 68 -2.076 -8.216 -8.445 1.00 0.00 C ATOM 935 O PHE A 68 -2.667 -7.247 -8.928 1.00 0.00 O ATOM 936 CB PHE A 68 -1.905 -7.510 -6.024 1.00 0.00 C ATOM 937 CG PHE A 68 -2.681 -7.503 -4.731 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.269 -8.288 -3.644 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.829 -6.708 -4.617 1.00 0.00 C ATOM 940 CE1 PHE A 68 -2.986 -8.258 -2.437 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.540 -6.659 -3.407 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.119 -7.432 -2.311 1.00 0.00 C ATOM 0 H PHE A 68 -0.848 -9.731 -6.090 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.439 -8.765 -6.931 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.845 -7.638 -5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.015 -6.542 -6.514 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.397 -8.918 -3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.169 -6.130 -5.464 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.668 -8.869 -1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.411 -6.027 -3.318 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.661 -7.392 -1.378 1.00 0.00 H new ATOM 951 N GLN A 69 -1.168 -8.922 -9.133 1.00 0.00 N ATOM 952 CA GLN A 69 -0.727 -8.612 -10.500 1.00 0.00 C ATOM 953 C GLN A 69 -0.154 -7.183 -10.572 1.00 0.00 C ATOM 954 O GLN A 69 -0.572 -6.379 -11.408 1.00 0.00 O ATOM 955 CB GLN A 69 -1.856 -8.852 -11.532 1.00 0.00 C ATOM 956 CG GLN A 69 -2.541 -10.233 -11.463 1.00 0.00 C ATOM 957 CD GLN A 69 -4.001 -10.112 -11.034 1.00 0.00 C ATOM 958 OE1 GLN A 69 -4.899 -9.904 -11.844 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.302 -10.203 -9.759 1.00 0.00 N ATOM 0 H GLN A 69 -0.708 -9.745 -8.744 1.00 0.00 H new ATOM 0 HA GLN A 69 0.077 -9.298 -10.765 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.616 -8.082 -11.397 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.443 -8.721 -12.532 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.486 -10.717 -12.438 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.006 -10.871 -10.760 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.567 -10.376 -9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.270 -10.101 -9.455 1.00 0.00 H new ATOM 966 N VAL A 70 0.747 -6.842 -9.646 1.00 0.00 N ATOM 967 CA VAL A 70 1.368 -5.509 -9.510 1.00 0.00 C ATOM 968 C VAL A 70 2.123 -5.092 -10.791 1.00 0.00 C ATOM 969 O VAL A 70 2.853 -5.889 -11.383 1.00 0.00 O ATOM 970 CB VAL A 70 2.271 -5.485 -8.253 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.279 -4.324 -8.220 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.398 -5.427 -6.993 1.00 0.00 C ATOM 0 H VAL A 70 1.079 -7.504 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 70 0.582 -4.765 -9.378 1.00 0.00 H new ATOM 0 HB VAL A 70 2.858 -6.403 -8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.871 -4.382 -7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.939 -4.390 -9.085 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.742 -3.376 -8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.036 -5.410 -6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.786 -4.526 -7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.752 -6.304 -6.958 1.00 0.00 H new ATOM 982 N LYS A 71 1.918 -3.842 -11.225 1.00 0.00 N ATOM 983 CA LYS A 71 2.299 -3.358 -12.563 1.00 0.00 C ATOM 984 C LYS A 71 3.777 -2.951 -12.686 1.00 0.00 C ATOM 985 O LYS A 71 4.475 -3.409 -13.590 1.00 0.00 O ATOM 986 CB LYS A 71 1.375 -2.189 -12.974 1.00 0.00 C ATOM 987 CG LYS A 71 -0.128 -2.463 -12.828 1.00 0.00 C ATOM 988 CD LYS A 71 -0.581 -3.745 -13.540 1.00 0.00 C ATOM 989 CE LYS A 71 -2.064 -3.994 -13.265 1.00 0.00 C ATOM 990 NZ LYS A 71 -2.416 -5.418 -13.493 1.00 0.00 N ATOM 0 H LYS A 71 1.476 -3.125 -10.649 1.00 0.00 H new ATOM 0 HA LYS A 71 2.172 -4.198 -13.246 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.629 -1.317 -12.372 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.582 -1.931 -14.013 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.376 -2.536 -11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.686 -1.616 -13.228 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.411 -3.656 -14.613 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.010 -4.593 -13.193 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.298 -3.718 -12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.669 -3.358 -13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.435 -5.554 -13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.182 -5.681 -14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.879 -6.018 -12.835 1.00 0.00 H new ATOM 1000 N LEU A 72 4.242 -2.080 -11.779 1.00 0.00 N ATOM 1001 CA LEU A 72 5.634 -1.636 -11.653 1.00 0.00 C ATOM 1002 C LEU A 72 6.251 -2.403 -10.480 1.00 0.00 C ATOM 1003 O LEU A 72 6.373 -3.625 -10.546 1.00 0.00 O ATOM 1004 CB LEU A 72 5.648 -0.094 -11.554 1.00 0.00 C ATOM 1005 CG LEU A 72 7.038 0.579 -11.658 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.675 0.359 -13.042 1.00 0.00 C ATOM 1007 CD2 LEU A 72 6.891 2.081 -11.399 1.00 0.00 C ATOM 0 H LEU A 72 3.631 -1.649 -11.085 1.00 0.00 H new ATOM 0 HA LEU A 72 6.258 -1.862 -12.518 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.012 0.307 -12.343 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.197 0.194 -10.604 1.00 0.00 H new ATOM 0 HG LEU A 72 7.691 0.125 -10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.649 0.846 -13.076 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.797 -0.709 -13.221 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.030 0.784 -13.811 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.867 2.560 -11.471 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.219 2.514 -12.140 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.482 2.240 -10.401 1.00 0.00 H new ATOM 1018 N TRP A 73 6.571 -1.700 -9.397 1.00 0.00 N ATOM 1019 CA TRP A 73 6.893 -2.277 -8.092 1.00 0.00 C ATOM 1020 C TRP A 73 6.547 -1.364 -6.901 1.00 0.00 C ATOM 1021 O TRP A 73 5.905 -1.879 -5.979 1.00 0.00 O ATOM 1022 CB TRP A 73 8.361 -2.696 -8.056 1.00 0.00 C ATOM 1023 CG TRP A 73 8.713 -3.485 -6.846 1.00 0.00 C ATOM 1024 CD1 TRP A 73 8.365 -4.769 -6.604 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.454 -3.042 -5.676 1.00 0.00 C ATOM 1026 NE1 TRP A 73 8.859 -5.155 -5.373 1.00 0.00 N ATOM 1027 CE2 TRP A 73 9.597 -4.149 -4.784 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.024 -1.812 -5.287 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.347 -4.062 -3.604 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.729 -1.708 -4.075 1.00 0.00 C ATOM 1031 CH2 TRP A 73 10.937 -2.835 -3.262 1.00 0.00 C ATOM 0 H TRP A 73 6.615 -0.681 -9.402 1.00 0.00 H new ATOM 0 HA TRP A 73 6.257 -3.155 -7.975 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.586 -3.285 -8.945 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.988 -1.805 -8.097 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.790 -5.396 -7.270 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.698 -6.070 -4.952 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.918 -0.946 -5.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.469 -4.926 -2.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.116 -0.749 -3.765 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.549 -2.757 -2.376 1.00 0.00 H new ATOM 1041 N PRO A 74 6.884 -0.045 -6.892 1.00 0.00 N ATOM 1042 CA PRO A 74 6.363 0.876 -5.890 1.00 0.00 C ATOM 1043 C PRO A 74 4.881 1.108 -6.189 1.00 0.00 C ATOM 1044 O PRO A 74 4.513 1.915 -7.046 1.00 0.00 O ATOM 1045 CB PRO A 74 7.199 2.153 -5.980 1.00 0.00 C ATOM 1046 CG PRO A 74 7.668 2.159 -7.437 1.00 0.00 C ATOM 1047 CD PRO A 74 7.822 0.672 -7.751 1.00 0.00 C ATOM 0 HA PRO A 74 6.433 0.492 -4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.609 3.038 -5.743 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.039 2.134 -5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.941 2.638 -8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.608 2.697 -7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.610 0.476 -8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.844 0.342 -7.565 1.00 0.00 H new ATOM 1052 N THR A 75 4.036 0.324 -5.521 1.00 0.00 N ATOM 1053 CA THR A 75 2.616 0.149 -5.834 1.00 0.00 C ATOM 1054 C THR A 75 1.892 -0.217 -4.555 1.00 0.00 C ATOM 1055 O THR A 75 2.415 -0.955 -3.719 1.00 0.00 O ATOM 1056 CB THR A 75 2.437 -0.968 -6.876 1.00 0.00 C ATOM 1057 OG1 THR A 75 3.074 -0.592 -8.070 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.972 -1.245 -7.214 1.00 0.00 C ATOM 0 H THR A 75 4.332 -0.228 -4.716 1.00 0.00 H new ATOM 0 HA THR A 75 2.208 1.071 -6.248 1.00 0.00 H new ATOM 0 HB THR A 75 2.868 -1.869 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.832 -1.221 -8.782 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.914 -2.043 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.441 -1.548 -6.311 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.515 -0.342 -7.618 1.00 0.00 H new ATOM 1066 N PHE A 76 0.679 0.309 -4.413 1.00 0.00 N ATOM 1067 CA PHE A 76 -0.174 0.070 -3.263 1.00 0.00 C ATOM 1068 C PHE A 76 -1.651 0.019 -3.689 1.00 0.00 C ATOM 1069 O PHE A 76 -2.151 0.916 -4.379 1.00 0.00 O ATOM 1070 CB PHE A 76 0.118 1.088 -2.146 1.00 0.00 C ATOM 1071 CG PHE A 76 0.578 2.446 -2.602 1.00 0.00 C ATOM 1072 CD1 PHE A 76 1.934 2.661 -2.932 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.362 3.476 -2.720 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.339 3.903 -3.441 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.061 4.722 -3.181 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.393 4.931 -3.570 1.00 0.00 C ATOM 0 H PHE A 76 0.258 0.924 -5.109 1.00 0.00 H new ATOM 0 HA PHE A 76 0.052 -0.908 -2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.785 1.213 -1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.880 0.669 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.657 1.871 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.396 3.309 -2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.367 4.066 -3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.646 5.537 -3.239 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.692 5.888 -3.971 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.328 -1.057 -3.287 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.704 -1.404 -3.678 1.00 0.00 C ATOM 1087 C VAL A 77 -4.653 -1.111 -2.519 1.00 0.00 C ATOM 1088 O VAL A 77 -4.475 -1.649 -1.426 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.813 -2.888 -4.103 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.263 -3.252 -4.472 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.905 -3.168 -5.316 1.00 0.00 C ATOM 0 H VAL A 77 -1.919 -1.743 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.982 -0.795 -4.538 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.496 -3.497 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.311 -4.300 -4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.910 -3.087 -3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.596 -2.626 -5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.993 -4.216 -5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.209 -2.537 -6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.870 -2.949 -5.054 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.655 -0.266 -2.772 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.665 0.116 -1.788 1.00 0.00 C ATOM 1103 C PHE A 78 -7.785 -0.932 -1.808 1.00 0.00 C ATOM 1104 O PHE A 78 -8.512 -1.075 -2.799 1.00 0.00 O ATOM 1105 CB PHE A 78 -7.192 1.543 -2.069 1.00 0.00 C ATOM 1106 CG PHE A 78 -6.168 2.670 -1.966 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -5.219 2.831 -2.993 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -6.123 3.530 -0.841 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -4.210 3.803 -2.886 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -5.129 4.534 -0.764 1.00 0.00 C ATOM 1111 CZ PHE A 78 -4.179 4.665 -1.790 1.00 0.00 C ATOM 0 H PHE A 78 -5.788 0.178 -3.681 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.229 0.142 -0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.620 1.559 -3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -8.004 1.752 -1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.267 2.203 -3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.845 3.420 -0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.456 3.883 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.101 5.201 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.423 5.434 -1.730 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.929 -1.666 -0.706 1.00 0.00 N ATOM 1121 CA LEU A 79 -9.050 -2.574 -0.463 1.00 0.00 C ATOM 1122 C LEU A 79 -10.095 -1.910 0.443 1.00 0.00 C ATOM 1123 O LEU A 79 -9.797 -1.005 1.222 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.602 -3.883 0.213 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.573 -4.715 -0.556 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -7.389 -6.060 0.154 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.971 -5.023 -1.999 1.00 0.00 C ATOM 0 H LEU A 79 -7.255 -1.646 0.060 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.475 -2.804 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.186 -3.640 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.484 -4.500 0.386 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.663 -4.115 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.657 -6.660 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.037 -5.889 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.341 -6.589 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.189 -5.616 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.906 -5.583 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.102 -4.090 -2.547 1.00 0.00 H new ATOM 1138 N ARG A 80 -11.305 -2.451 0.371 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.472 -2.174 1.235 1.00 0.00 C ATOM 1140 C ARG A 80 -13.497 -3.296 0.999 1.00 0.00 C ATOM 1141 O ARG A 80 -13.704 -3.697 -0.142 1.00 0.00 O ATOM 1142 CB ARG A 80 -13.029 -0.762 0.960 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.811 -0.178 2.145 1.00 0.00 C ATOM 1144 CD ARG A 80 -14.093 1.319 1.932 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.769 1.903 3.107 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.707 3.162 3.541 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -14.010 4.099 2.940 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -15.377 3.498 4.625 1.00 0.00 N ATOM 0 H ARG A 80 -11.524 -3.147 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.198 -2.172 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.203 -0.094 0.714 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.680 -0.799 0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.751 -0.716 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.243 -0.318 3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.157 1.846 1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.714 1.453 1.047 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.353 1.268 3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.480 3.879 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.998 5.047 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.932 2.799 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.340 4.457 4.970 1.00 0.00 H new ATOM 1159 N ASP A 81 -14.030 -3.896 2.067 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.723 -5.204 2.033 1.00 0.00 C ATOM 1161 C ASP A 81 -13.764 -6.361 1.655 1.00 0.00 C ATOM 1162 O ASP A 81 -14.157 -7.346 1.027 1.00 0.00 O ATOM 1163 CB ASP A 81 -15.989 -5.140 1.140 1.00 0.00 C ATOM 1164 CG ASP A 81 -16.992 -6.269 1.427 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.378 -6.457 2.608 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.438 -6.933 0.461 1.00 0.00 O ATOM 0 H ASP A 81 -13.996 -3.486 3.000 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.066 -5.430 3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.482 -4.179 1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.690 -5.187 0.093 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.463 -6.194 1.952 1.00 0.00 N ATOM 1171 CA GLY A 82 -11.373 -7.072 1.475 1.00 0.00 C ATOM 1172 C GLY A 82 -11.181 -7.119 -0.044 1.00 0.00 C ATOM 1173 O GLY A 82 -10.554 -8.049 -0.554 1.00 0.00 O ATOM 0 H GLY A 82 -12.131 -5.431 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.439 -6.744 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.563 -8.084 1.831 1.00 0.00 H new ATOM 1177 N ARG A 83 -11.720 -6.136 -0.781 1.00 0.00 N ATOM 1178 CA ARG A 83 -11.864 -6.131 -2.244 1.00 0.00 C ATOM 1179 C ARG A 83 -11.378 -4.803 -2.824 1.00 0.00 C ATOM 1180 O ARG A 83 -11.565 -3.745 -2.231 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.341 -6.379 -2.594 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.686 -7.868 -2.448 1.00 0.00 C ATOM 1183 CD ARG A 83 -15.174 -8.115 -2.179 1.00 0.00 C ATOM 1184 NE ARG A 83 -15.452 -9.564 -2.111 1.00 0.00 N ATOM 1185 CZ ARG A 83 -14.962 -10.424 -1.224 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -14.329 -10.050 -0.129 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -15.072 -11.715 -1.441 1.00 0.00 N ATOM 0 H ARG A 83 -12.084 -5.284 -0.353 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.253 -6.921 -2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.980 -5.786 -1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.539 -6.052 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.395 -8.393 -3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.100 -8.293 -1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.465 -7.638 -1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.773 -7.660 -2.968 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.084 -9.943 -2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.196 -9.058 0.070 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.972 -10.752 0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.532 -12.053 -2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.698 -12.380 -0.764 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.677 -4.873 -3.950 1.00 0.00 N ATOM 1199 CA GLU A 84 -10.019 -3.710 -4.554 1.00 0.00 C ATOM 1200 C GLU A 84 -11.031 -2.638 -4.977 1.00 0.00 C ATOM 1201 O GLU A 84 -11.856 -2.855 -5.862 1.00 0.00 O ATOM 1202 CB GLU A 84 -9.083 -4.151 -5.690 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.433 -2.967 -6.432 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.383 -3.378 -7.482 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -7.058 -4.580 -7.632 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.866 -2.486 -8.187 1.00 0.00 O ATOM 0 H GLU A 84 -10.546 -5.738 -4.474 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.394 -3.233 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.300 -4.789 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.646 -4.754 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.215 -2.388 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.962 -2.310 -5.701 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.925 -1.469 -4.338 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.646 -0.236 -4.697 1.00 0.00 C ATOM 1213 C VAL A 85 -10.817 0.663 -5.626 1.00 0.00 C ATOM 1214 O VAL A 85 -11.387 1.439 -6.393 1.00 0.00 O ATOM 1215 CB VAL A 85 -12.098 0.554 -3.447 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -13.217 -0.199 -2.714 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.961 0.842 -2.448 1.00 0.00 C ATOM 0 H VAL A 85 -10.316 -1.347 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.538 -0.550 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.453 1.514 -3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.524 0.370 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.069 -0.324 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.853 -1.178 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.356 1.399 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.536 -0.099 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.186 1.430 -2.939 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.482 0.518 -5.590 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.506 1.252 -6.398 1.00 0.00 C ATOM 1229 C ALA A 86 -7.094 0.697 -6.187 1.00 0.00 C ATOM 1230 O ALA A 86 -6.864 -0.121 -5.296 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.527 2.729 -5.994 1.00 0.00 C ATOM 0 H ALA A 86 -9.036 -0.151 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.772 1.141 -7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.802 3.280 -6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.523 3.138 -6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.271 2.821 -4.939 1.00 0.00 H new ATOM 1237 N ARG A 87 -6.129 1.257 -6.910 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.710 1.177 -6.590 1.00 0.00 C ATOM 1239 C ARG A 87 -3.961 2.395 -7.130 1.00 0.00 C ATOM 1240 O ARG A 87 -4.396 3.022 -8.097 1.00 0.00 O ATOM 1241 CB ARG A 87 -4.124 -0.147 -7.086 1.00 0.00 C ATOM 1242 CG ARG A 87 -4.083 -0.283 -8.611 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.314 -1.551 -8.972 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.113 -2.770 -8.788 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.691 -4.024 -8.917 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.455 -4.326 -9.268 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.514 -5.012 -8.681 1.00 0.00 N ATOM 0 H ARG A 87 -6.319 1.793 -7.757 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.588 1.193 -5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.112 -0.252 -6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.711 -0.968 -6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.095 -0.328 -9.013 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.602 0.589 -9.055 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.986 -1.489 -10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.416 -1.614 -8.357 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.093 -2.641 -8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.781 -3.583 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.174 -5.303 -9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.475 -4.819 -8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.195 -5.976 -8.779 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.830 2.708 -6.513 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.907 3.760 -6.964 1.00 0.00 C ATOM 1260 C VAL A 88 -0.535 3.116 -7.209 1.00 0.00 C ATOM 1261 O VAL A 88 -0.105 2.257 -6.448 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.816 4.883 -5.907 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.715 5.912 -6.224 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -3.128 5.647 -5.669 1.00 0.00 C ATOM 0 H VAL A 88 -2.515 2.233 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.268 4.213 -7.887 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.571 4.339 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.698 6.677 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.252 5.410 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.919 6.378 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.970 6.415 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.450 6.115 -6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.896 4.953 -5.327 1.00 0.00 H new ATOM 1274 N VAL A 89 0.134 3.531 -8.287 1.00 0.00 N ATOM 1275 CA VAL A 89 1.464 3.062 -8.695 1.00 0.00 C ATOM 1276 C VAL A 89 2.302 4.260 -9.147 1.00 0.00 C ATOM 1277 O VAL A 89 1.785 5.148 -9.824 1.00 0.00 O ATOM 1278 CB VAL A 89 1.372 1.961 -9.786 1.00 0.00 C ATOM 1279 CG1 VAL A 89 0.377 2.271 -10.917 1.00 0.00 C ATOM 1280 CG2 VAL A 89 2.740 1.639 -10.415 1.00 0.00 C ATOM 0 H VAL A 89 -0.248 4.229 -8.925 1.00 0.00 H new ATOM 0 HA VAL A 89 1.958 2.596 -7.842 1.00 0.00 H new ATOM 0 HB VAL A 89 1.000 1.094 -9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.375 1.451 -11.635 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.623 2.390 -10.500 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.672 3.192 -11.419 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.619 0.863 -11.171 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.148 2.537 -10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.423 1.288 -9.641 1.00 0.00 H new ATOM 1290 N ARG A 90 3.579 4.288 -8.746 1.00 0.00 N ATOM 1291 CA ARG A 90 4.552 5.331 -9.092 1.00 0.00 C ATOM 1292 C ARG A 90 4.048 6.738 -8.661 1.00 0.00 C ATOM 1293 O ARG A 90 3.761 7.572 -9.528 1.00 0.00 O ATOM 1294 CB ARG A 90 4.886 5.235 -10.597 1.00 0.00 C ATOM 1295 CG ARG A 90 6.199 5.956 -10.954 1.00 0.00 C ATOM 1296 CD ARG A 90 6.448 5.891 -12.466 1.00 0.00 C ATOM 1297 NE ARG A 90 7.715 6.558 -12.822 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.215 6.678 -14.044 1.00 0.00 C ATOM 1299 NH1 ARG A 90 7.618 6.182 -15.104 1.00 0.00 N ATOM 1300 NH2 ARG A 90 9.348 7.322 -14.213 1.00 0.00 N ATOM 0 H ARG A 90 3.976 3.561 -8.152 1.00 0.00 H new ATOM 0 HA ARG A 90 5.477 5.173 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.961 4.186 -10.884 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.069 5.666 -11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.150 6.996 -10.631 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.031 5.496 -10.421 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.477 4.850 -12.789 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.622 6.366 -12.995 1.00 0.00 H new ATOM 0 HE ARG A 90 8.256 6.964 -12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.735 5.682 -15.005 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.038 6.297 -16.026 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.832 7.722 -13.409 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.744 7.421 -15.148 1.00 0.00 H new ATOM 1311 N PRO A 91 3.879 7.015 -7.346 1.00 0.00 N ATOM 1312 CA PRO A 91 3.301 8.269 -6.845 1.00 0.00 C ATOM 1313 C PRO A 91 4.167 9.468 -7.272 1.00 0.00 C ATOM 1314 O PRO A 91 5.349 9.530 -6.930 1.00 0.00 O ATOM 1315 CB PRO A 91 3.224 8.118 -5.325 1.00 0.00 C ATOM 1316 CG PRO A 91 4.311 7.089 -4.995 1.00 0.00 C ATOM 1317 CD PRO A 91 4.287 6.170 -6.223 1.00 0.00 C ATOM 0 HA PRO A 91 2.309 8.459 -7.256 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.407 9.067 -4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.240 7.773 -5.008 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.285 7.558 -4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.089 6.545 -4.077 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.268 5.730 -6.401 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.589 5.345 -6.080 1.00 0.00 H new ATOM 1322 N GLY A 92 3.585 10.408 -8.026 1.00 0.00 N ATOM 1323 CA GLY A 92 4.321 11.534 -8.627 1.00 0.00 C ATOM 1324 C GLY A 92 4.560 12.703 -7.665 1.00 0.00 C ATOM 1325 O GLY A 92 5.558 13.412 -7.787 1.00 0.00 O ATOM 0 H GLY A 92 2.587 10.412 -8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.283 11.174 -8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.767 11.896 -9.493 1.00 0.00 H new ATOM 1329 N SER A 93 3.666 12.878 -6.693 1.00 0.00 N ATOM 1330 CA SER A 93 3.710 13.882 -5.612 1.00 0.00 C ATOM 1331 C SER A 93 2.547 13.628 -4.642 1.00 0.00 C ATOM 1332 O SER A 93 1.577 12.949 -4.996 1.00 0.00 O ATOM 1333 CB SER A 93 3.631 15.317 -6.158 1.00 0.00 C ATOM 1334 OG SER A 93 3.917 16.261 -5.133 1.00 0.00 O ATOM 0 H SER A 93 2.836 12.289 -6.629 1.00 0.00 H new ATOM 0 HA SER A 93 4.664 13.782 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.338 15.439 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.636 15.503 -6.563 1.00 0.00 H new ATOM 0 HG SER A 93 3.864 17.168 -5.500 1.00 0.00 H new ATOM 1339 N ALA A 94 2.605 14.186 -3.427 1.00 0.00 N ATOM 1340 CA ALA A 94 1.567 14.054 -2.405 1.00 0.00 C ATOM 1341 C ALA A 94 0.188 14.447 -2.929 1.00 0.00 C ATOM 1342 O ALA A 94 -0.773 13.765 -2.618 1.00 0.00 O ATOM 1343 CB ALA A 94 1.979 14.898 -1.195 1.00 0.00 C ATOM 0 H ALA A 94 3.395 14.755 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 94 1.479 13.008 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.219 14.815 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.933 14.539 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.079 15.941 -1.496 1.00 0.00 H new ATOM 1349 N SER A 95 0.080 15.430 -3.821 1.00 0.00 N ATOM 1350 CA SER A 95 -1.189 15.788 -4.477 1.00 0.00 C ATOM 1351 C SER A 95 -1.866 14.599 -5.189 1.00 0.00 C ATOM 1352 O SER A 95 -3.085 14.459 -5.121 1.00 0.00 O ATOM 1353 CB SER A 95 -0.930 16.919 -5.480 1.00 0.00 C ATOM 1354 OG SER A 95 0.121 16.581 -6.383 1.00 0.00 O ATOM 0 H SER A 95 0.869 16.006 -4.114 1.00 0.00 H new ATOM 0 HA SER A 95 -1.878 16.110 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.841 17.126 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.672 17.832 -4.943 1.00 0.00 H new ATOM 0 HG SER A 95 0.263 17.320 -7.011 1.00 0.00 H new ATOM 1359 N VAL A 96 -1.090 13.715 -5.826 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.573 12.533 -6.553 1.00 0.00 C ATOM 1361 C VAL A 96 -1.944 11.408 -5.582 1.00 0.00 C ATOM 1362 O VAL A 96 -2.964 10.740 -5.766 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.503 12.025 -7.557 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -1.016 10.829 -8.376 1.00 0.00 C ATOM 1365 CG2 VAL A 96 -0.046 13.132 -8.529 1.00 0.00 C ATOM 0 H VAL A 96 -0.074 13.805 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.464 12.828 -7.107 1.00 0.00 H new ATOM 0 HB VAL A 96 0.348 11.712 -6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.240 10.502 -9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.272 10.010 -7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.901 11.126 -8.939 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.702 12.730 -9.212 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.902 13.491 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.385 13.958 -7.963 1.00 0.00 H new ATOM 1375 N LEU A 97 -1.136 11.209 -4.531 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.390 10.191 -3.514 1.00 0.00 C ATOM 1377 C LEU A 97 -2.599 10.559 -2.639 1.00 0.00 C ATOM 1378 O LEU A 97 -3.521 9.758 -2.492 1.00 0.00 O ATOM 1379 CB LEU A 97 -0.089 9.955 -2.711 1.00 0.00 C ATOM 1380 CG LEU A 97 0.291 8.459 -2.683 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.613 8.242 -1.971 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.836 7.683 -2.006 1.00 0.00 C ATOM 0 H LEU A 97 -0.289 11.752 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.665 9.248 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.724 10.530 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.218 10.319 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 97 0.420 8.097 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.854 7.179 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.400 8.791 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.536 8.600 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.583 6.623 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.971 8.051 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.760 7.820 -2.567 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.643 11.794 -2.127 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.774 12.360 -1.392 1.00 0.00 C ATOM 1395 C GLU A 98 -5.082 12.327 -2.205 1.00 0.00 C ATOM 1396 O GLU A 98 -6.118 11.967 -1.645 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.482 13.805 -0.961 1.00 0.00 C ATOM 1398 CG GLU A 98 -2.381 13.938 0.106 1.00 0.00 C ATOM 1399 CD GLU A 98 -2.204 15.403 0.540 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -1.548 16.187 -0.185 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.718 15.782 1.619 1.00 0.00 O ATOM 0 H GLU A 98 -1.865 12.447 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.908 11.734 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.192 14.382 -1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.400 14.249 -0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.634 13.327 0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.440 13.556 -0.289 1.00 0.00 H new ATOM 1406 N GLU A 99 -5.039 12.647 -3.507 1.00 0.00 N ATOM 1407 CA GLU A 99 -6.196 12.601 -4.420 1.00 0.00 C ATOM 1408 C GLU A 99 -6.844 11.210 -4.502 1.00 0.00 C ATOM 1409 O GLU A 99 -8.063 11.086 -4.641 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.748 13.028 -5.828 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.771 12.763 -6.943 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.431 13.559 -8.214 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.906 14.710 -8.356 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.705 13.033 -9.086 1.00 0.00 O ATOM 0 H GLU A 99 -4.181 12.952 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.945 13.284 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.518 14.093 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.823 12.506 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.793 11.698 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.768 13.035 -6.597 1.00 0.00 H new ATOM 1419 N ALA A 100 -6.036 10.154 -4.402 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.548 8.799 -4.280 1.00 0.00 C ATOM 1421 C ALA A 100 -7.061 8.525 -2.860 1.00 0.00 C ATOM 1422 O ALA A 100 -8.201 8.106 -2.704 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.465 7.831 -4.742 1.00 0.00 C ATOM 0 H ALA A 100 -5.018 10.218 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.417 8.658 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.831 6.808 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.209 8.040 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.579 7.952 -4.119 1.00 0.00 H new ATOM 1429 N PHE A 101 -6.282 8.826 -1.819 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.665 8.558 -0.429 1.00 0.00 C ATOM 1431 C PHE A 101 -8.043 9.152 -0.087 1.00 0.00 C ATOM 1432 O PHE A 101 -8.920 8.425 0.386 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.591 9.083 0.525 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.616 8.019 0.986 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.617 7.514 0.123 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.679 7.547 2.316 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.690 6.582 0.601 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.741 6.613 2.789 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.741 6.134 1.927 1.00 0.00 C ATOM 0 H PHE A 101 -5.366 9.263 -1.915 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.746 7.478 -0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.037 9.882 0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -6.075 9.523 1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.570 7.847 -0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.455 7.907 2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.925 6.203 -0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.789 6.265 3.810 1.00 0.00 H new ATOM 0 HZ PHE A 101 -2.013 5.422 2.286 1.00 0.00 H new ATOM 1448 N GLU A 102 -8.261 10.435 -0.391 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.552 11.107 -0.189 1.00 0.00 C ATOM 1450 C GLU A 102 -10.711 10.426 -0.924 1.00 0.00 C ATOM 1451 O GLU A 102 -11.825 10.370 -0.400 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.493 12.592 -0.579 1.00 0.00 C ATOM 1453 CG GLU A 102 -9.043 12.904 -2.014 1.00 0.00 C ATOM 1454 CD GLU A 102 -10.153 13.387 -2.970 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -11.257 12.801 -2.995 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -9.895 14.349 -3.733 1.00 0.00 O ATOM 0 H GLU A 102 -7.543 11.042 -0.787 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.749 11.028 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.483 13.024 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.817 13.099 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.265 13.667 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.589 12.008 -2.436 1.00 0.00 H new ATOM 1461 N SER A 103 -10.445 9.861 -2.102 1.00 0.00 N ATOM 1462 CA SER A 103 -11.460 9.209 -2.921 1.00 0.00 C ATOM 1463 C SER A 103 -11.863 7.835 -2.361 1.00 0.00 C ATOM 1464 O SER A 103 -13.031 7.432 -2.462 1.00 0.00 O ATOM 1465 CB SER A 103 -10.946 9.089 -4.368 1.00 0.00 C ATOM 1466 OG SER A 103 -11.969 8.642 -5.243 1.00 0.00 O ATOM 0 H SER A 103 -9.512 9.844 -2.515 1.00 0.00 H new ATOM 0 HA SER A 103 -12.360 9.824 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.573 10.056 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.107 8.394 -4.402 1.00 0.00 H new ATOM 0 HG SER A 103 -11.615 8.577 -6.154 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.916 7.122 -1.729 1.00 0.00 N ATOM 1472 CA LEU A 104 -11.135 5.766 -1.211 1.00 0.00 C ATOM 1473 C LEU A 104 -11.549 5.755 0.263 1.00 0.00 C ATOM 1474 O LEU A 104 -12.290 4.866 0.686 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.898 4.877 -1.453 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.670 4.411 -2.911 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.979 4.096 -3.650 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.864 5.412 -3.741 1.00 0.00 C ATOM 0 H LEU A 104 -9.973 7.474 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.973 5.347 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.013 5.423 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.981 3.994 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.091 3.493 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.754 3.775 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.510 3.301 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.603 4.989 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.738 5.028 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.393 6.364 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.885 5.559 -3.284 1.00 0.00 H new ATOM 1489 N VAL A 105 -11.121 6.756 1.032 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.596 7.000 2.399 1.00 0.00 C ATOM 1491 C VAL A 105 -13.043 7.532 2.397 1.00 0.00 C ATOM 1492 O VAL A 105 -13.799 7.227 3.321 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.615 7.940 3.143 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.977 9.423 3.028 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.478 7.548 4.614 1.00 0.00 C ATOM 0 H VAL A 105 -10.424 7.432 0.720 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.618 6.056 2.943 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.655 7.810 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.246 10.019 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.975 9.718 1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.968 9.589 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.783 8.227 5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.452 7.610 5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.101 6.528 4.685 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.433 8.287 1.353 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.771 8.863 1.162 1.00 0.00 C ATOM 1507 C GLY A 106 -14.911 10.321 1.622 1.00 0.00 C ATOM 1508 O GLY A 106 -16.028 10.752 1.908 1.00 0.00 O ATOM 0 H GLY A 106 -12.797 8.520 0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.031 8.803 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.495 8.254 1.703 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.810 11.079 1.701 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.790 12.460 2.209 1.00 0.00 C ATOM 1514 C GLU A 107 -13.982 13.538 1.127 1.00 0.00 C ATOM 1515 O GLU A 107 -14.409 14.647 1.452 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.475 12.728 2.972 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.552 12.334 4.454 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.417 13.313 5.267 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -12.933 14.424 5.593 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.578 12.978 5.596 1.00 0.00 O ATOM 0 H GLU A 107 -12.891 10.746 1.409 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.649 12.538 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.666 12.175 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.226 13.786 2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.964 11.328 4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.547 12.304 4.874 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.658 13.260 -0.143 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.876 14.169 -1.287 1.00 0.00 C ATOM 1527 C GLY A 108 -12.936 15.383 -1.367 1.00 0.00 C ATOM 1528 O GLY A 108 -12.758 15.940 -2.453 1.00 0.00 O ATOM 0 H GLY A 108 -13.226 12.377 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -13.775 13.594 -2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -14.903 14.531 -1.248 1.00 0.00 H new TER 1532 GLY A 108