USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 48 THR OG1 : rot 72:sc= 1 USER MOD Set 1.2: A 51 THR OG1 : rot -82:sc= 1.99 USER MOD Set 2.1: A 7 CYS SG : rot 104:sc= -2.78! USER MOD Set 2.2: A 12 CYS SG : rot 81:sc= 0.897 USER MOD Set 2.3: A 59 CYS SG : rot 145:sc= 1.28 USER MOD Set 2.4: A 62 HIS : no HE2:sc= -1.62! X(o=-2.2!,f=-2.5) USER MOD Single : A 6 THR OG1 : rot 16:sc= 0.818 USER MOD Single : A 11 ASN : amide:sc=-0.000821 X(o=-0.00082,f=-0.23) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= 1.31 (180deg=0.659) USER MOD Single : A 26 HIS : no HD1:sc=-0.00736 X(o=-0.0074,f=-0.082) USER MOD Single : A 28 TYR OH : rot 139:sc= -0.264 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 89:sc= 0.949 USER MOD Single : A 54 SER OG : rot -88:sc= 1.24 USER MOD Single : A 55 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.35) USER MOD Single : A 60 SER OG : rot -93:sc= 1.67 USER MOD Single : A 68 LYS NZ :NH3+ -147:sc= 2.26 (180deg=-0.811) USER MOD Single : A 69 LYS NZ :NH3+ -155:sc= 1.08 (180deg=-0.571) USER MOD Single : A 79 THR OG1 : rot 88:sc= 1.42 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0.786 K(o=0.79,f=-9!) USER MOD Single : A 85 LYS NZ :NH3+ -177:sc= 1.31 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 8.889 -8.059 1.390 1.00 0.00 N ATOM 67 CA THR A 6 8.846 -7.647 0.001 1.00 0.00 C ATOM 68 C THR A 6 7.597 -6.821 -0.280 1.00 0.00 C ATOM 69 O THR A 6 6.509 -7.147 0.198 1.00 0.00 O ATOM 70 CB THR A 6 8.869 -8.866 -0.938 1.00 0.00 C ATOM 71 OG1 THR A 6 9.120 -10.064 -0.183 1.00 0.00 O ATOM 72 CG2 THR A 6 9.938 -8.698 -2.006 1.00 0.00 C ATOM 0 HA THR A 6 9.730 -7.038 -0.186 1.00 0.00 H new ATOM 0 HB THR A 6 7.897 -8.944 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.976 -9.886 0.770 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.939 -9.570 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.728 -7.804 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.914 -8.600 -1.531 1.00 0.00 H new ATOM 80 N CYS A 7 7.766 -5.743 -1.033 1.00 0.00 N ATOM 81 CA CYS A 7 6.643 -4.919 -1.434 1.00 0.00 C ATOM 82 C CYS A 7 5.860 -5.604 -2.542 1.00 0.00 C ATOM 83 O CYS A 7 6.405 -6.410 -3.301 1.00 0.00 O ATOM 84 CB CYS A 7 7.132 -3.554 -1.919 1.00 0.00 C ATOM 85 SG CYS A 7 5.825 -2.293 -2.079 1.00 0.00 S ATOM 0 H CYS A 7 8.671 -5.422 -1.377 1.00 0.00 H new ATOM 0 HA CYS A 7 5.993 -4.777 -0.571 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.890 -3.187 -1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.618 -3.679 -2.887 1.00 0.00 H new ATOM 0 HG CYS A 7 5.901 -1.460 -1.084 1.00 0.00 H new ATOM 90 N GLY A 8 4.586 -5.277 -2.626 1.00 0.00 N ATOM 91 CA GLY A 8 3.758 -5.796 -3.686 1.00 0.00 C ATOM 92 C GLY A 8 3.610 -4.796 -4.808 1.00 0.00 C ATOM 93 O GLY A 8 2.941 -5.062 -5.807 1.00 0.00 O ATOM 0 H GLY A 8 4.107 -4.656 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.194 -6.717 -4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.775 -6.050 -3.291 1.00 0.00 H new ATOM 97 N PHE A 9 4.240 -3.640 -4.644 1.00 0.00 N ATOM 98 CA PHE A 9 4.170 -2.584 -5.636 1.00 0.00 C ATOM 99 C PHE A 9 5.044 -2.923 -6.836 1.00 0.00 C ATOM 100 O PHE A 9 6.132 -3.480 -6.682 1.00 0.00 O ATOM 101 CB PHE A 9 4.611 -1.258 -5.022 1.00 0.00 C ATOM 102 CG PHE A 9 3.594 -0.164 -5.161 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.561 -0.041 -4.246 1.00 0.00 C ATOM 104 CD2 PHE A 9 3.665 0.738 -6.209 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.620 0.961 -4.372 1.00 0.00 C ATOM 106 CE2 PHE A 9 2.726 1.741 -6.342 1.00 0.00 C ATOM 107 CZ PHE A 9 1.702 1.854 -5.424 1.00 0.00 C ATOM 0 H PHE A 9 4.807 -3.413 -3.827 1.00 0.00 H new ATOM 0 HA PHE A 9 3.138 -2.491 -5.974 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.826 -1.411 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.541 -0.940 -5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.491 -0.738 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.464 0.656 -6.931 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.821 1.047 -3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.793 2.437 -7.165 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.967 2.638 -5.527 1.00 0.00 H new ATOM 117 N PRO A 10 4.578 -2.600 -8.052 1.00 0.00 N ATOM 118 CA PRO A 10 5.339 -2.852 -9.277 1.00 0.00 C ATOM 119 C PRO A 10 6.504 -1.880 -9.448 1.00 0.00 C ATOM 120 O PRO A 10 7.287 -1.995 -10.389 1.00 0.00 O ATOM 121 CB PRO A 10 4.303 -2.649 -10.383 1.00 0.00 C ATOM 122 CG PRO A 10 3.325 -1.685 -9.809 1.00 0.00 C ATOM 123 CD PRO A 10 3.266 -1.981 -8.334 1.00 0.00 C ATOM 0 HA PRO A 10 5.796 -3.842 -9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.763 -2.255 -11.289 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.822 -3.589 -10.653 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.640 -0.657 -9.988 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.344 -1.803 -10.270 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.116 -1.074 -7.749 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.444 -2.655 -8.093 1.00 0.00 H new ATOM 131 N ASN A 11 6.608 -0.919 -8.539 1.00 0.00 N ATOM 132 CA ASN A 11 7.685 0.061 -8.580 1.00 0.00 C ATOM 133 C ASN A 11 7.889 0.699 -7.212 1.00 0.00 C ATOM 134 O ASN A 11 7.548 1.862 -6.998 1.00 0.00 O ATOM 135 CB ASN A 11 7.397 1.148 -9.620 1.00 0.00 C ATOM 136 CG ASN A 11 8.637 1.958 -9.964 1.00 0.00 C ATOM 137 OD1 ASN A 11 9.699 1.399 -10.240 1.00 0.00 O ATOM 138 ND2 ASN A 11 8.513 3.276 -9.947 1.00 0.00 N ATOM 0 H ASN A 11 5.958 -0.797 -7.763 1.00 0.00 H new ATOM 0 HA ASN A 11 8.597 -0.463 -8.864 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.004 0.686 -10.526 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.623 1.815 -9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.315 3.867 -10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.616 3.701 -9.713 1.00 0.00 H new ATOM 145 N CYS A 12 8.428 -0.069 -6.278 1.00 0.00 N ATOM 146 CA CYS A 12 8.771 0.473 -4.981 1.00 0.00 C ATOM 147 C CYS A 12 10.180 1.044 -5.014 1.00 0.00 C ATOM 148 O CYS A 12 11.164 0.329 -4.831 1.00 0.00 O ATOM 149 CB CYS A 12 8.654 -0.586 -3.888 1.00 0.00 C ATOM 150 SG CYS A 12 8.691 0.105 -2.201 1.00 0.00 S ATOM 0 H CYS A 12 8.634 -1.061 -6.396 1.00 0.00 H new ATOM 0 HA CYS A 12 8.065 1.271 -4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.724 -1.138 -4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.469 -1.301 -3.997 1.00 0.00 H new ATOM 0 HG CYS A 12 7.512 0.558 -1.892 1.00 0.00 H new ATOM 155 N LYS A 13 10.261 2.333 -5.288 1.00 0.00 N ATOM 156 CA LYS A 13 11.529 3.044 -5.290 1.00 0.00 C ATOM 157 C LYS A 13 11.836 3.595 -3.901 1.00 0.00 C ATOM 158 O LYS A 13 12.850 4.259 -3.691 1.00 0.00 O ATOM 159 CB LYS A 13 11.473 4.198 -6.289 1.00 0.00 C ATOM 160 CG LYS A 13 10.552 5.325 -5.846 1.00 0.00 C ATOM 161 CD LYS A 13 10.276 6.306 -6.968 1.00 0.00 C ATOM 162 CE LYS A 13 11.154 7.542 -6.851 1.00 0.00 C ATOM 163 NZ LYS A 13 10.392 8.792 -7.100 1.00 0.00 N ATOM 0 H LYS A 13 9.455 2.915 -5.515 1.00 0.00 H new ATOM 0 HA LYS A 13 12.316 2.346 -5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.478 4.594 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.136 3.819 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.611 4.906 -5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.003 5.853 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.452 5.822 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.227 6.600 -6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.596 7.579 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.976 7.471 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.898 9.597 -6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.296 8.942 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.447 8.714 -6.672 1.00 0.00 H new ATOM 177 N PHE A 14 10.950 3.321 -2.957 1.00 0.00 N ATOM 178 CA PHE A 14 11.009 3.974 -1.660 1.00 0.00 C ATOM 179 C PHE A 14 12.029 3.330 -0.729 1.00 0.00 C ATOM 180 O PHE A 14 12.964 3.994 -0.295 1.00 0.00 O ATOM 181 CB PHE A 14 9.624 4.009 -1.023 1.00 0.00 C ATOM 182 CG PHE A 14 8.876 5.268 -1.354 1.00 0.00 C ATOM 183 CD1 PHE A 14 8.236 5.411 -2.576 1.00 0.00 C ATOM 184 CD2 PHE A 14 8.829 6.314 -0.450 1.00 0.00 C ATOM 185 CE1 PHE A 14 7.559 6.573 -2.885 1.00 0.00 C ATOM 186 CE2 PHE A 14 8.155 7.480 -0.754 1.00 0.00 C ATOM 187 CZ PHE A 14 7.519 7.609 -1.973 1.00 0.00 C ATOM 0 H PHE A 14 10.185 2.654 -3.064 1.00 0.00 H new ATOM 0 HA PHE A 14 11.346 4.998 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.049 3.148 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.722 3.921 0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.268 4.604 -3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.325 6.217 0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.061 6.672 -3.838 1.00 0.00 H new ATOM 0 HE2 PHE A 14 8.125 8.290 -0.040 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.991 8.520 -2.213 1.00 0.00 H new ATOM 197 N ARG A 15 11.875 2.046 -0.431 1.00 0.00 N ATOM 198 CA ARG A 15 12.802 1.379 0.482 1.00 0.00 C ATOM 199 C ARG A 15 14.190 1.287 -0.140 1.00 0.00 C ATOM 200 O ARG A 15 15.199 1.233 0.561 1.00 0.00 O ATOM 201 CB ARG A 15 12.311 -0.018 0.847 1.00 0.00 C ATOM 202 CG ARG A 15 11.086 -0.028 1.745 1.00 0.00 C ATOM 203 CD ARG A 15 10.434 -1.400 1.774 1.00 0.00 C ATOM 204 NE ARG A 15 10.000 -1.816 0.442 1.00 0.00 N ATOM 205 CZ ARG A 15 10.685 -2.643 -0.347 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.774 -3.254 0.107 1.00 0.00 N ATOM 207 NH2 ARG A 15 10.273 -2.876 -1.588 1.00 0.00 N ATOM 0 H ARG A 15 11.132 1.452 -0.799 1.00 0.00 H new ATOM 0 HA ARG A 15 12.854 1.976 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.081 -0.562 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.118 -0.557 1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.371 0.263 2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.367 0.711 1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.138 -2.130 2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.577 -1.383 2.448 1.00 0.00 H new ATOM 0 HE ARG A 15 9.114 -1.449 0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.089 -3.091 1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.295 -3.886 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.430 -2.421 -1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.799 -3.510 -2.190 1.00 0.00 H new ATOM 368 N ARG A 25 10.213 1.567 7.676 1.00 0.00 N ATOM 369 CA ARG A 25 8.824 1.696 7.283 1.00 0.00 C ATOM 370 C ARG A 25 8.019 0.525 7.816 1.00 0.00 C ATOM 371 O ARG A 25 8.520 -0.594 7.918 1.00 0.00 O ATOM 372 CB ARG A 25 8.700 1.772 5.757 1.00 0.00 C ATOM 373 CG ARG A 25 8.250 3.133 5.249 1.00 0.00 C ATOM 374 CD ARG A 25 9.400 4.131 5.232 1.00 0.00 C ATOM 375 NE ARG A 25 8.942 5.513 5.057 1.00 0.00 N ATOM 376 CZ ARG A 25 8.408 6.254 6.031 1.00 0.00 C ATOM 377 NH1 ARG A 25 8.242 5.745 7.245 1.00 0.00 N ATOM 378 NH2 ARG A 25 8.039 7.507 5.791 1.00 0.00 N ATOM 0 HA ARG A 25 8.429 2.619 7.708 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.664 1.527 5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.991 1.015 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.841 3.030 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.448 3.512 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.959 4.052 6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.087 3.875 4.426 1.00 0.00 H new ATOM 0 HE ARG A 25 9.037 5.935 4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.523 4.784 7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.834 6.315 7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.163 7.906 4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.631 8.070 6.537 1.00 0.00 H new ATOM 392 N HIS A 26 6.778 0.788 8.165 1.00 0.00 N ATOM 393 CA HIS A 26 5.914 -0.240 8.710 1.00 0.00 C ATOM 394 C HIS A 26 5.115 -0.895 7.596 1.00 0.00 C ATOM 395 O HIS A 26 4.342 -0.236 6.899 1.00 0.00 O ATOM 396 CB HIS A 26 4.996 0.354 9.780 1.00 0.00 C ATOM 397 CG HIS A 26 5.698 0.548 11.085 1.00 0.00 C ATOM 398 ND1 HIS A 26 6.188 -0.514 11.803 1.00 0.00 N ATOM 399 CD2 HIS A 26 6.000 1.694 11.730 1.00 0.00 C ATOM 400 CE1 HIS A 26 6.788 0.011 12.859 1.00 0.00 C ATOM 401 NE2 HIS A 26 6.701 1.349 12.859 1.00 0.00 N ATOM 0 H HIS A 26 6.343 1.707 8.081 1.00 0.00 H new ATOM 0 HA HIS A 26 6.525 -1.009 9.183 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.609 1.312 9.432 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.138 -0.303 9.925 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.739 2.694 11.417 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.285 -0.566 13.625 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.081 1.985 13.560 1.00 0.00 H new ATOM 409 N PHE A 27 5.323 -2.190 7.425 1.00 0.00 N ATOM 410 CA PHE A 27 4.724 -2.924 6.321 1.00 0.00 C ATOM 411 C PHE A 27 3.272 -3.260 6.612 1.00 0.00 C ATOM 412 O PHE A 27 2.966 -3.992 7.555 1.00 0.00 O ATOM 413 CB PHE A 27 5.507 -4.210 6.055 1.00 0.00 C ATOM 414 CG PHE A 27 6.482 -4.103 4.920 1.00 0.00 C ATOM 415 CD1 PHE A 27 6.043 -4.159 3.608 1.00 0.00 C ATOM 416 CD2 PHE A 27 7.836 -3.954 5.164 1.00 0.00 C ATOM 417 CE1 PHE A 27 6.936 -4.071 2.560 1.00 0.00 C ATOM 418 CE2 PHE A 27 8.735 -3.863 4.120 1.00 0.00 C ATOM 419 CZ PHE A 27 8.283 -3.923 2.816 1.00 0.00 C ATOM 0 H PHE A 27 5.906 -2.758 8.040 1.00 0.00 H new ATOM 0 HA PHE A 27 4.761 -2.288 5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.047 -4.489 6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.803 -5.015 5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.989 -4.273 3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.193 -3.908 6.182 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.581 -4.118 1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.789 -3.745 4.322 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.984 -3.854 1.997 1.00 0.00 H new ATOM 429 N TYR A 28 2.383 -2.722 5.799 1.00 0.00 N ATOM 430 CA TYR A 28 0.964 -2.991 5.930 1.00 0.00 C ATOM 431 C TYR A 28 0.588 -4.215 5.110 1.00 0.00 C ATOM 432 O TYR A 28 1.393 -4.725 4.326 1.00 0.00 O ATOM 433 CB TYR A 28 0.145 -1.790 5.452 1.00 0.00 C ATOM 434 CG TYR A 28 0.318 -0.539 6.283 1.00 0.00 C ATOM 435 CD1 TYR A 28 0.617 -0.607 7.639 1.00 0.00 C ATOM 436 CD2 TYR A 28 0.175 0.714 5.705 1.00 0.00 C ATOM 437 CE1 TYR A 28 0.767 0.541 8.395 1.00 0.00 C ATOM 438 CE2 TYR A 28 0.326 1.867 6.452 1.00 0.00 C ATOM 439 CZ TYR A 28 0.621 1.776 7.797 1.00 0.00 C ATOM 440 OH TYR A 28 0.763 2.923 8.552 1.00 0.00 O ATOM 0 H TYR A 28 2.622 -2.091 5.034 1.00 0.00 H new ATOM 0 HA TYR A 28 0.745 -3.176 6.982 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.420 -1.567 4.421 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.910 -2.065 5.448 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.734 -1.572 8.110 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.058 0.790 4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.997 0.471 9.448 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.214 2.834 5.985 1.00 0.00 H new ATOM 0 HH TYR A 28 1.262 3.593 8.039 1.00 0.00 H new ATOM 450 N ARG A 29 -0.631 -4.683 5.296 1.00 0.00 N ATOM 451 CA ARG A 29 -1.170 -5.753 4.479 1.00 0.00 C ATOM 452 C ARG A 29 -2.130 -5.158 3.465 1.00 0.00 C ATOM 453 O ARG A 29 -2.101 -3.953 3.215 1.00 0.00 O ATOM 454 CB ARG A 29 -1.895 -6.787 5.345 1.00 0.00 C ATOM 455 CG ARG A 29 -1.065 -7.298 6.506 1.00 0.00 C ATOM 456 CD ARG A 29 -0.356 -8.593 6.154 1.00 0.00 C ATOM 457 NE ARG A 29 -0.066 -9.386 7.343 1.00 0.00 N ATOM 458 CZ ARG A 29 -0.105 -10.715 7.385 1.00 0.00 C ATOM 459 NH1 ARG A 29 -0.367 -11.418 6.286 1.00 0.00 N ATOM 460 NH2 ARG A 29 0.132 -11.339 8.532 1.00 0.00 N ATOM 0 H ARG A 29 -1.271 -4.336 6.011 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.352 -6.259 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.812 -6.344 5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.188 -7.631 4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.330 -6.545 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.708 -7.457 7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.976 -9.174 5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.573 -8.369 5.630 1.00 0.00 H new ATOM 0 HE ARG A 29 0.183 -8.889 8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.540 -10.938 5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.395 -12.437 6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.342 -10.800 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.104 -12.358 8.574 1.00 0.00 H new ATOM 474 N ILE A 30 -2.987 -5.984 2.893 1.00 0.00 N ATOM 475 CA ILE A 30 -4.001 -5.497 1.975 1.00 0.00 C ATOM 476 C ILE A 30 -5.363 -5.511 2.657 1.00 0.00 C ATOM 477 O ILE A 30 -6.015 -6.554 2.731 1.00 0.00 O ATOM 478 CB ILE A 30 -4.063 -6.333 0.677 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.658 -6.783 0.250 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.736 -5.532 -0.428 1.00 0.00 C ATOM 481 CD1 ILE A 30 -1.787 -5.667 -0.289 1.00 0.00 C ATOM 0 H ILE A 30 -3.002 -6.992 3.047 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.730 -4.478 1.699 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.655 -7.228 0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.159 -7.238 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.752 -7.556 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.775 -6.130 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.749 -5.270 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.167 -4.622 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.813 -6.068 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.262 -5.226 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.659 -4.903 0.478 1.00 0.00 H new ATOM 493 N PRO A 31 -5.787 -4.356 3.204 1.00 0.00 N ATOM 494 CA PRO A 31 -7.082 -4.211 3.884 1.00 0.00 C ATOM 495 C PRO A 31 -8.235 -4.795 3.073 1.00 0.00 C ATOM 496 O PRO A 31 -8.556 -4.308 1.992 1.00 0.00 O ATOM 497 CB PRO A 31 -7.211 -2.693 4.021 1.00 0.00 C ATOM 498 CG PRO A 31 -5.805 -2.250 4.196 1.00 0.00 C ATOM 499 CD PRO A 31 -5.034 -3.084 3.215 1.00 0.00 C ATOM 0 HA PRO A 31 -7.125 -4.747 4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.668 -2.246 3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.830 -2.416 4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.694 -1.186 3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.459 -2.414 5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.004 -2.623 2.228 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.001 -3.228 3.531 1.00 0.00 H new ATOM 507 N LYS A 32 -8.845 -5.850 3.601 1.00 0.00 N ATOM 508 CA LYS A 32 -9.903 -6.562 2.894 1.00 0.00 C ATOM 509 C LYS A 32 -11.270 -6.211 3.460 1.00 0.00 C ATOM 510 O LYS A 32 -12.245 -6.932 3.257 1.00 0.00 O ATOM 511 CB LYS A 32 -9.666 -8.073 2.975 1.00 0.00 C ATOM 512 CG LYS A 32 -9.061 -8.533 4.294 1.00 0.00 C ATOM 513 CD LYS A 32 -9.065 -10.046 4.415 1.00 0.00 C ATOM 514 CE LYS A 32 -10.189 -10.526 5.320 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.764 -11.655 6.183 1.00 0.00 N ATOM 0 H LYS A 32 -8.624 -6.232 4.520 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.882 -6.255 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.614 -8.588 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.006 -8.372 2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.038 -8.164 4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.622 -8.100 5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.176 -10.492 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.107 -10.384 4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.529 -9.700 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.038 -10.835 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.560 -11.951 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.464 -12.453 5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.970 -11.353 6.784 1.00 0.00 H new ATOM 529 N ARG A 33 -11.336 -5.094 4.159 1.00 0.00 N ATOM 530 CA ARG A 33 -12.574 -4.657 4.778 1.00 0.00 C ATOM 531 C ARG A 33 -12.614 -3.136 4.854 1.00 0.00 C ATOM 532 O ARG A 33 -11.899 -2.534 5.654 1.00 0.00 O ATOM 533 CB ARG A 33 -12.708 -5.260 6.177 1.00 0.00 C ATOM 534 CG ARG A 33 -14.053 -5.920 6.431 1.00 0.00 C ATOM 535 CD ARG A 33 -14.531 -5.670 7.851 1.00 0.00 C ATOM 536 NE ARG A 33 -13.977 -6.638 8.798 1.00 0.00 N ATOM 537 CZ ARG A 33 -13.169 -6.315 9.809 1.00 0.00 C ATOM 538 NH1 ARG A 33 -12.780 -5.057 9.987 1.00 0.00 N ATOM 539 NH2 ARG A 33 -12.738 -7.257 10.639 1.00 0.00 N ATOM 0 H ARG A 33 -10.544 -4.470 4.313 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.410 -5.000 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.918 -5.997 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.552 -4.476 6.918 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.788 -5.535 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.973 -6.993 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.248 -4.663 8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.620 -5.718 7.880 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.224 -7.620 8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.099 -4.329 9.348 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.162 -4.819 10.763 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.025 -8.226 10.503 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.120 -7.011 11.412 1.00 0.00 H new ATOM 553 N PRO A 34 -13.443 -2.492 4.017 1.00 0.00 N ATOM 554 CA PRO A 34 -14.306 -3.179 3.046 1.00 0.00 C ATOM 555 C PRO A 34 -13.533 -3.743 1.856 1.00 0.00 C ATOM 556 O PRO A 34 -12.388 -3.367 1.605 1.00 0.00 O ATOM 557 CB PRO A 34 -15.250 -2.075 2.580 1.00 0.00 C ATOM 558 CG PRO A 34 -14.476 -0.817 2.755 1.00 0.00 C ATOM 559 CD PRO A 34 -13.609 -1.030 3.964 1.00 0.00 C ATOM 0 HA PRO A 34 -14.804 -4.041 3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.543 -2.218 1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.166 -2.062 3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.871 -0.605 1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.142 0.034 2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.650 -0.521 3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -14.081 -0.647 4.869 1.00 0.00 H new ATOM 567 N LEU A 35 -14.177 -4.631 1.112 1.00 0.00 N ATOM 568 CA LEU A 35 -13.541 -5.277 -0.026 1.00 0.00 C ATOM 569 C LEU A 35 -13.462 -4.318 -1.208 1.00 0.00 C ATOM 570 O LEU A 35 -12.567 -4.425 -2.044 1.00 0.00 O ATOM 571 CB LEU A 35 -14.306 -6.543 -0.423 1.00 0.00 C ATOM 572 CG LEU A 35 -13.428 -7.718 -0.858 1.00 0.00 C ATOM 573 CD1 LEU A 35 -13.503 -8.846 0.159 1.00 0.00 C ATOM 574 CD2 LEU A 35 -13.843 -8.207 -2.239 1.00 0.00 C ATOM 0 H LEU A 35 -15.141 -4.921 1.277 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.529 -5.559 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.918 -6.859 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.988 -6.297 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.394 -7.378 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.872 -9.673 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.157 -8.486 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.534 -9.189 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.209 -9.043 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.883 -8.532 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.734 -7.397 -2.960 1.00 0.00 H new ATOM 586 N ILE A 36 -14.397 -3.373 -1.267 1.00 0.00 N ATOM 587 CA ILE A 36 -14.389 -2.350 -2.311 1.00 0.00 C ATOM 588 C ILE A 36 -13.147 -1.476 -2.172 1.00 0.00 C ATOM 589 O ILE A 36 -12.576 -1.015 -3.161 1.00 0.00 O ATOM 590 CB ILE A 36 -15.655 -1.464 -2.256 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.919 -2.333 -2.236 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.686 -0.499 -3.436 1.00 0.00 C ATOM 593 CD1 ILE A 36 -17.066 -3.225 -3.451 1.00 0.00 C ATOM 0 H ILE A 36 -15.169 -3.294 -0.605 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.378 -2.861 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.626 -0.879 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.908 -2.954 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.793 -1.685 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.584 0.116 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.805 0.142 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.691 -1.064 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.983 -3.809 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.110 -2.611 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.211 -3.899 -3.513 1.00 0.00 H new ATOM 605 N LEU A 37 -12.716 -1.276 -0.934 1.00 0.00 N ATOM 606 CA LEU A 37 -11.509 -0.512 -0.663 1.00 0.00 C ATOM 607 C LEU A 37 -10.286 -1.301 -1.119 1.00 0.00 C ATOM 608 O LEU A 37 -9.332 -0.735 -1.646 1.00 0.00 O ATOM 609 CB LEU A 37 -11.412 -0.170 0.827 1.00 0.00 C ATOM 610 CG LEU A 37 -9.999 -0.164 1.409 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.726 1.140 2.135 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.810 -1.349 2.340 1.00 0.00 C ATOM 0 H LEU A 37 -13.186 -1.633 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.549 0.424 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.856 0.813 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.014 -0.886 1.386 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.285 -0.251 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.715 1.125 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.824 1.972 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.443 1.261 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.799 -1.333 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.531 -1.290 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.963 -2.275 1.786 1.00 0.00 H new ATOM 624 N ARG A 38 -10.330 -2.614 -0.923 1.00 0.00 N ATOM 625 CA ARG A 38 -9.274 -3.501 -1.393 1.00 0.00 C ATOM 626 C ARG A 38 -9.205 -3.468 -2.912 1.00 0.00 C ATOM 627 O ARG A 38 -8.126 -3.458 -3.505 1.00 0.00 O ATOM 628 CB ARG A 38 -9.538 -4.927 -0.925 1.00 0.00 C ATOM 629 CG ARG A 38 -8.372 -5.871 -1.168 1.00 0.00 C ATOM 630 CD ARG A 38 -8.336 -6.988 -0.142 1.00 0.00 C ATOM 631 NE ARG A 38 -7.798 -8.225 -0.701 1.00 0.00 N ATOM 632 CZ ARG A 38 -6.914 -9.010 -0.086 1.00 0.00 C ATOM 633 NH1 ARG A 38 -6.442 -8.698 1.112 1.00 0.00 N ATOM 634 NH2 ARG A 38 -6.496 -10.117 -0.677 1.00 0.00 N ATOM 0 H ARG A 38 -11.091 -3.089 -0.438 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.324 -3.161 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.769 -4.914 0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.420 -5.312 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.450 -6.297 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.437 -5.312 -1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.728 -6.680 0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.343 -7.168 0.234 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.121 -8.508 -1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.755 -7.846 1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.766 -9.310 1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.850 -10.367 -1.600 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.819 -10.720 -0.210 1.00 0.00 H new ATOM 648 N GLN A 39 -10.375 -3.468 -3.529 1.00 0.00 N ATOM 649 CA GLN A 39 -10.488 -3.327 -4.973 1.00 0.00 C ATOM 650 C GLN A 39 -9.862 -2.007 -5.422 1.00 0.00 C ATOM 651 O GLN A 39 -9.149 -1.947 -6.423 1.00 0.00 O ATOM 652 CB GLN A 39 -11.963 -3.400 -5.385 1.00 0.00 C ATOM 653 CG GLN A 39 -12.268 -2.766 -6.728 1.00 0.00 C ATOM 654 CD GLN A 39 -13.710 -2.320 -6.848 1.00 0.00 C ATOM 655 OE1 GLN A 39 -14.015 -1.129 -6.770 1.00 0.00 O ATOM 656 NE2 GLN A 39 -14.608 -3.268 -7.052 1.00 0.00 N ATOM 0 H GLN A 39 -11.269 -3.565 -3.047 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.951 -4.141 -5.459 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.269 -4.446 -5.412 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.566 -2.911 -4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.613 -1.908 -6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.045 -3.479 -7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.316 -4.243 -7.111 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.593 -3.024 -7.151 1.00 0.00 H new ATOM 665 N ARG A 40 -10.123 -0.952 -4.661 1.00 0.00 N ATOM 666 CA ARG A 40 -9.547 0.354 -4.943 1.00 0.00 C ATOM 667 C ARG A 40 -8.038 0.335 -4.721 1.00 0.00 C ATOM 668 O ARG A 40 -7.292 1.004 -5.432 1.00 0.00 O ATOM 669 CB ARG A 40 -10.189 1.422 -4.066 1.00 0.00 C ATOM 670 CG ARG A 40 -11.250 2.228 -4.775 1.00 0.00 C ATOM 671 CD ARG A 40 -10.641 3.189 -5.782 1.00 0.00 C ATOM 672 NE ARG A 40 -11.487 4.360 -5.998 1.00 0.00 N ATOM 673 CZ ARG A 40 -12.600 4.351 -6.733 1.00 0.00 C ATOM 674 NH1 ARG A 40 -12.961 3.260 -7.403 1.00 0.00 N ATOM 675 NH2 ARG A 40 -13.346 5.442 -6.813 1.00 0.00 N ATOM 0 H ARG A 40 -10.731 -0.977 -3.842 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.744 0.593 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.631 0.945 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.414 2.097 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.940 1.555 -5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.833 2.788 -4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.660 3.510 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.487 2.673 -6.729 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.210 5.238 -5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.385 2.420 -7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.814 3.264 -7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.069 6.287 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.198 5.438 -7.374 1.00 0.00 H new ATOM 689 N TRP A 41 -7.607 -0.435 -3.731 1.00 0.00 N ATOM 690 CA TRP A 41 -6.191 -0.621 -3.442 1.00 0.00 C ATOM 691 C TRP A 41 -5.453 -1.131 -4.679 1.00 0.00 C ATOM 692 O TRP A 41 -4.368 -0.656 -5.011 1.00 0.00 O ATOM 693 CB TRP A 41 -6.031 -1.605 -2.278 1.00 0.00 C ATOM 694 CG TRP A 41 -5.712 -0.929 -0.989 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.469 0.002 -0.346 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.546 -1.125 -0.190 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.838 0.408 0.800 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.655 -0.270 0.919 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.413 -1.935 -0.309 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.676 -0.204 1.902 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.446 -1.868 0.671 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.582 -1.009 1.763 1.00 0.00 C ATOM 0 H TRP A 41 -8.229 -0.948 -3.106 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.756 0.338 -3.161 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.951 -2.178 -2.164 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.240 -2.316 -2.516 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.426 0.367 -0.689 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.192 1.103 1.458 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.298 -2.600 -1.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.777 0.461 2.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.567 -2.491 0.593 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.806 -0.981 2.513 1.00 0.00 H new ATOM 713 N LEU A 42 -6.083 -2.075 -5.375 1.00 0.00 N ATOM 714 CA LEU A 42 -5.502 -2.702 -6.561 1.00 0.00 C ATOM 715 C LEU A 42 -5.256 -1.703 -7.696 1.00 0.00 C ATOM 716 O LEU A 42 -4.457 -1.970 -8.595 1.00 0.00 O ATOM 717 CB LEU A 42 -6.422 -3.826 -7.056 1.00 0.00 C ATOM 718 CG LEU A 42 -6.473 -5.064 -6.158 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.331 -6.152 -6.791 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.068 -5.576 -5.897 1.00 0.00 C ATOM 0 H LEU A 42 -7.009 -2.427 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.533 -3.106 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.432 -3.429 -7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.096 -4.130 -8.050 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.926 -4.786 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.354 -7.024 -6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.345 -5.779 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.908 -6.433 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.115 -6.457 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.595 -5.839 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.484 -4.800 -5.403 1.00 0.00 H new ATOM 732 N THR A 43 -5.931 -0.560 -7.644 1.00 0.00 N ATOM 733 CA THR A 43 -5.829 0.455 -8.691 1.00 0.00 C ATOM 734 C THR A 43 -4.383 0.901 -8.931 1.00 0.00 C ATOM 735 O THR A 43 -3.930 0.965 -10.075 1.00 0.00 O ATOM 736 CB THR A 43 -6.684 1.690 -8.339 1.00 0.00 C ATOM 737 OG1 THR A 43 -8.017 1.280 -8.008 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.721 2.691 -9.486 1.00 0.00 C ATOM 0 H THR A 43 -6.561 -0.310 -6.881 1.00 0.00 H new ATOM 0 HA THR A 43 -6.200 -0.006 -9.606 1.00 0.00 H new ATOM 0 HB THR A 43 -6.226 2.181 -7.480 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.072 1.090 -7.048 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.332 3.548 -9.202 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.708 3.026 -9.709 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.149 2.217 -10.369 1.00 0.00 H new ATOM 746 N ALA A 44 -3.659 1.182 -7.858 1.00 0.00 N ATOM 747 CA ALA A 44 -2.323 1.752 -7.982 1.00 0.00 C ATOM 748 C ALA A 44 -1.249 0.679 -8.113 1.00 0.00 C ATOM 749 O ALA A 44 -0.218 0.900 -8.749 1.00 0.00 O ATOM 750 CB ALA A 44 -2.022 2.649 -6.800 1.00 0.00 C ATOM 0 H ALA A 44 -3.969 1.027 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.308 2.343 -8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.021 3.067 -6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.751 3.458 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.076 2.068 -5.879 1.00 0.00 H new ATOM 756 N ILE A 45 -1.483 -0.479 -7.510 1.00 0.00 N ATOM 757 CA ILE A 45 -0.514 -1.568 -7.576 1.00 0.00 C ATOM 758 C ILE A 45 -0.620 -2.299 -8.905 1.00 0.00 C ATOM 759 O ILE A 45 0.318 -2.968 -9.331 1.00 0.00 O ATOM 760 CB ILE A 45 -0.679 -2.597 -6.433 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.876 -2.261 -5.545 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.590 -2.666 -5.604 1.00 0.00 C ATOM 763 CD1 ILE A 45 -2.217 -3.346 -4.546 1.00 0.00 C ATOM 0 H ILE A 45 -2.326 -0.689 -6.975 1.00 0.00 H new ATOM 0 HA ILE A 45 0.466 -1.102 -7.471 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.864 -3.572 -6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.669 -1.336 -5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.745 -2.075 -6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.462 -3.394 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.423 -2.968 -6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.798 -1.686 -5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.077 -3.036 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.456 -4.267 -5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.364 -3.517 -3.889 1.00 0.00 H new ATOM 775 N GLY A 46 -1.778 -2.183 -9.543 1.00 0.00 N ATOM 776 CA GLY A 46 -1.996 -2.830 -10.822 1.00 0.00 C ATOM 777 C GLY A 46 -2.120 -4.336 -10.691 1.00 0.00 C ATOM 778 O GLY A 46 -2.072 -5.062 -11.685 1.00 0.00 O ATOM 0 H GLY A 46 -2.574 -1.649 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.902 -2.431 -11.279 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.170 -2.593 -11.492 1.00 0.00 H new ATOM 782 N ARG A 47 -2.282 -4.804 -9.461 1.00 0.00 N ATOM 783 CA ARG A 47 -2.394 -6.232 -9.195 1.00 0.00 C ATOM 784 C ARG A 47 -3.845 -6.668 -9.302 1.00 0.00 C ATOM 785 O ARG A 47 -4.746 -5.831 -9.346 1.00 0.00 O ATOM 786 CB ARG A 47 -1.847 -6.564 -7.807 1.00 0.00 C ATOM 787 CG ARG A 47 -0.432 -6.064 -7.576 1.00 0.00 C ATOM 788 CD ARG A 47 0.592 -7.169 -7.775 1.00 0.00 C ATOM 789 NE ARG A 47 1.959 -6.651 -7.744 1.00 0.00 N ATOM 790 CZ ARG A 47 2.813 -6.724 -8.766 1.00 0.00 C ATOM 791 NH1 ARG A 47 2.450 -7.306 -9.903 1.00 0.00 N ATOM 792 NH2 ARG A 47 4.033 -6.211 -8.645 1.00 0.00 N ATOM 0 H ARG A 47 -2.339 -4.215 -8.630 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.805 -6.771 -9.937 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.504 -6.130 -7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.869 -7.645 -7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.220 -5.243 -8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.347 -5.666 -6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.470 -7.922 -6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.412 -7.665 -8.729 1.00 0.00 H new ATOM 0 HE ARG A 47 2.280 -6.205 -6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.514 -7.700 -9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.107 -7.359 -10.681 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.314 -5.763 -7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.689 -6.265 -9.425 1.00 0.00 H new ATOM 806 N THR A 48 -4.071 -7.966 -9.341 1.00 0.00 N ATOM 807 CA THR A 48 -5.416 -8.489 -9.476 1.00 0.00 C ATOM 808 C THR A 48 -5.772 -9.381 -8.287 1.00 0.00 C ATOM 809 O THR A 48 -4.992 -9.507 -7.339 1.00 0.00 O ATOM 810 CB THR A 48 -5.577 -9.268 -10.797 1.00 0.00 C ATOM 811 OG1 THR A 48 -4.302 -9.412 -11.441 1.00 0.00 O ATOM 812 CG2 THR A 48 -6.543 -8.556 -11.733 1.00 0.00 C ATOM 0 H THR A 48 -3.342 -8.677 -9.281 1.00 0.00 H new ATOM 0 HA THR A 48 -6.103 -7.643 -9.493 1.00 0.00 H new ATOM 0 HB THR A 48 -5.981 -10.253 -10.563 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.753 -10.051 -10.941 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.640 -9.125 -12.658 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.519 -8.473 -11.254 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.163 -7.559 -11.958 1.00 0.00 H new ATOM 820 N GLU A 49 -6.936 -10.014 -8.354 1.00 0.00 N ATOM 821 CA GLU A 49 -7.483 -10.762 -7.222 1.00 0.00 C ATOM 822 C GLU A 49 -6.746 -12.078 -6.989 1.00 0.00 C ATOM 823 O GLU A 49 -7.054 -12.808 -6.051 1.00 0.00 O ATOM 824 CB GLU A 49 -8.973 -11.038 -7.435 1.00 0.00 C ATOM 825 CG GLU A 49 -9.338 -11.332 -8.878 1.00 0.00 C ATOM 826 CD GLU A 49 -10.058 -10.179 -9.539 1.00 0.00 C ATOM 827 OE1 GLU A 49 -11.263 -10.000 -9.286 1.00 0.00 O ATOM 828 OE2 GLU A 49 -9.415 -9.441 -10.312 1.00 0.00 O ATOM 0 H GLU A 49 -7.526 -10.026 -9.186 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.347 -10.143 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.269 -11.884 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.546 -10.176 -7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.432 -11.560 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.969 -12.220 -8.916 1.00 0.00 H new ATOM 835 N GLU A 50 -5.781 -12.384 -7.839 1.00 0.00 N ATOM 836 CA GLU A 50 -4.999 -13.603 -7.685 1.00 0.00 C ATOM 837 C GLU A 50 -3.661 -13.286 -7.033 1.00 0.00 C ATOM 838 O GLU A 50 -3.197 -14.000 -6.141 1.00 0.00 O ATOM 839 CB GLU A 50 -4.762 -14.287 -9.033 1.00 0.00 C ATOM 840 CG GLU A 50 -5.284 -13.508 -10.224 1.00 0.00 C ATOM 841 CD GLU A 50 -4.294 -12.476 -10.729 1.00 0.00 C ATOM 842 OE1 GLU A 50 -3.913 -11.579 -9.946 1.00 0.00 O ATOM 843 OE2 GLU A 50 -3.900 -12.545 -11.908 1.00 0.00 O ATOM 0 H GLU A 50 -5.519 -11.809 -8.640 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.565 -14.284 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.692 -14.452 -9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.236 -15.268 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.522 -14.202 -11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.213 -13.009 -9.948 1.00 0.00 H new ATOM 850 N THR A 51 -3.069 -12.193 -7.476 1.00 0.00 N ATOM 851 CA THR A 51 -1.743 -11.789 -7.044 1.00 0.00 C ATOM 852 C THR A 51 -1.773 -11.125 -5.671 1.00 0.00 C ATOM 853 O THR A 51 -0.889 -11.345 -4.848 1.00 0.00 O ATOM 854 CB THR A 51 -1.133 -10.815 -8.067 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.176 -10.045 -8.682 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.379 -11.571 -9.145 1.00 0.00 C ATOM 0 H THR A 51 -3.496 -11.557 -8.149 1.00 0.00 H new ATOM 0 HA THR A 51 -1.132 -12.689 -6.973 1.00 0.00 H new ATOM 0 HB THR A 51 -0.440 -10.157 -7.542 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.582 -10.565 -9.407 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.044 -10.863 -9.858 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.424 -12.151 -8.689 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.062 -12.243 -9.664 1.00 0.00 H new ATOM 864 N VAL A 52 -2.806 -10.329 -5.422 1.00 0.00 N ATOM 865 CA VAL A 52 -2.899 -9.560 -4.185 1.00 0.00 C ATOM 866 C VAL A 52 -3.177 -10.450 -2.977 1.00 0.00 C ATOM 867 O VAL A 52 -2.920 -10.071 -1.835 1.00 0.00 O ATOM 868 CB VAL A 52 -3.971 -8.455 -4.292 1.00 0.00 C ATOM 869 CG1 VAL A 52 -5.379 -9.018 -4.140 1.00 0.00 C ATOM 870 CG2 VAL A 52 -3.715 -7.359 -3.270 1.00 0.00 C ATOM 0 H VAL A 52 -3.591 -10.199 -6.060 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.927 -9.089 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.899 -8.023 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.105 -8.209 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.564 -9.752 -4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.476 -9.496 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.482 -6.590 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.745 -7.783 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.735 -6.917 -3.448 1.00 0.00 H new ATOM 880 N VAL A 53 -3.682 -11.641 -3.235 1.00 0.00 N ATOM 881 CA VAL A 53 -3.962 -12.583 -2.167 1.00 0.00 C ATOM 882 C VAL A 53 -2.763 -13.495 -1.956 1.00 0.00 C ATOM 883 O VAL A 53 -2.776 -14.669 -2.337 1.00 0.00 O ATOM 884 CB VAL A 53 -5.225 -13.429 -2.447 1.00 0.00 C ATOM 885 CG1 VAL A 53 -5.705 -14.115 -1.176 1.00 0.00 C ATOM 886 CG2 VAL A 53 -6.330 -12.566 -3.037 1.00 0.00 C ATOM 0 H VAL A 53 -3.906 -11.979 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.153 -12.005 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.965 -14.198 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.595 -14.705 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.920 -14.769 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.945 -13.363 -0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.210 -13.181 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.586 -11.773 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.987 -12.125 -3.973 1.00 0.00 H new ATOM 896 N SER A 54 -1.720 -12.936 -1.367 1.00 0.00 N ATOM 897 CA SER A 54 -0.483 -13.660 -1.141 1.00 0.00 C ATOM 898 C SER A 54 0.298 -13.012 0.001 1.00 0.00 C ATOM 899 O SER A 54 -0.294 -12.468 0.937 1.00 0.00 O ATOM 900 CB SER A 54 0.350 -13.660 -2.426 1.00 0.00 C ATOM 901 OG SER A 54 0.618 -12.334 -2.850 1.00 0.00 O ATOM 0 H SER A 54 -1.707 -11.972 -1.034 1.00 0.00 H new ATOM 0 HA SER A 54 -0.709 -14.690 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.288 -14.190 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.183 -14.197 -3.211 1.00 0.00 H new ATOM 0 HG SER A 54 -0.112 -12.020 -3.423 1.00 0.00 H new ATOM 907 N GLN A 55 1.620 -13.054 -0.091 1.00 0.00 N ATOM 908 CA GLN A 55 2.485 -12.398 0.879 1.00 0.00 C ATOM 909 C GLN A 55 2.654 -10.918 0.536 1.00 0.00 C ATOM 910 O GLN A 55 3.518 -10.243 1.093 1.00 0.00 O ATOM 911 CB GLN A 55 3.849 -13.086 0.913 1.00 0.00 C ATOM 912 CG GLN A 55 4.323 -13.425 2.315 1.00 0.00 C ATOM 913 CD GLN A 55 5.453 -12.528 2.783 1.00 0.00 C ATOM 914 OE1 GLN A 55 5.559 -12.219 3.970 1.00 0.00 O ATOM 915 NE2 GLN A 55 6.308 -12.108 1.862 1.00 0.00 N ATOM 0 H GLN A 55 2.120 -13.540 -0.835 1.00 0.00 H new ATOM 0 HA GLN A 55 2.022 -12.474 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.800 -14.002 0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.585 -12.439 0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.486 -13.340 3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.654 -14.463 2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.186 -12.386 0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.088 -11.507 2.127 1.00 0.00 H new ATOM 924 N LEU A 56 1.828 -10.434 -0.392 1.00 0.00 N ATOM 925 CA LEU A 56 1.873 -9.040 -0.823 1.00 0.00 C ATOM 926 C LEU A 56 1.761 -8.088 0.366 1.00 0.00 C ATOM 927 O LEU A 56 0.864 -8.222 1.206 1.00 0.00 O ATOM 928 CB LEU A 56 0.748 -8.757 -1.824 1.00 0.00 C ATOM 929 CG LEU A 56 1.172 -7.991 -3.078 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.528 -8.952 -4.202 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.072 -7.038 -3.520 1.00 0.00 C ATOM 0 H LEU A 56 1.116 -10.993 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 56 2.836 -8.871 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.307 -9.706 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.033 -8.190 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 56 2.059 -7.405 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.827 -8.386 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.352 -9.592 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.661 -9.568 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.392 -6.502 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.833 -7.604 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.133 -6.324 -2.722 1.00 0.00 H new ATOM 943 N ARG A 57 2.681 -7.137 0.438 1.00 0.00 N ATOM 944 CA ARG A 57 2.706 -6.161 1.514 1.00 0.00 C ATOM 945 C ARG A 57 2.873 -4.773 0.925 1.00 0.00 C ATOM 946 O ARG A 57 3.365 -4.631 -0.194 1.00 0.00 O ATOM 947 CB ARG A 57 3.855 -6.455 2.481 1.00 0.00 C ATOM 948 CG ARG A 57 3.753 -7.805 3.165 1.00 0.00 C ATOM 949 CD ARG A 57 2.820 -7.754 4.359 1.00 0.00 C ATOM 950 NE ARG A 57 3.093 -8.838 5.298 1.00 0.00 N ATOM 951 CZ ARG A 57 3.372 -8.660 6.586 1.00 0.00 C ATOM 952 NH1 ARG A 57 3.370 -7.438 7.115 1.00 0.00 N ATOM 953 NH2 ARG A 57 3.634 -9.710 7.348 1.00 0.00 N ATOM 0 H ARG A 57 3.428 -7.022 -0.246 1.00 0.00 H new ATOM 0 HA ARG A 57 1.768 -6.218 2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.797 -6.405 1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.885 -5.675 3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.394 -8.548 2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.743 -8.126 3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.929 -6.796 4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.787 -7.818 4.018 1.00 0.00 H new ATOM 0 HE ARG A 57 3.068 -9.794 4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.153 -6.630 6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.585 -7.310 8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.621 -10.648 6.946 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.849 -9.582 8.337 1.00 0.00 H new ATOM 967 N ILE A 58 2.463 -3.758 1.666 1.00 0.00 N ATOM 968 CA ILE A 58 2.545 -2.390 1.179 1.00 0.00 C ATOM 969 C ILE A 58 3.189 -1.483 2.224 1.00 0.00 C ATOM 970 O ILE A 58 2.777 -1.458 3.385 1.00 0.00 O ATOM 971 CB ILE A 58 1.150 -1.845 0.791 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.609 -2.582 -0.443 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.204 -0.345 0.529 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.522 -2.522 -1.651 1.00 0.00 C ATOM 0 H ILE A 58 2.072 -3.853 2.603 1.00 0.00 H new ATOM 0 HA ILE A 58 3.168 -2.397 0.285 1.00 0.00 H new ATOM 0 HB ILE A 58 0.474 -2.021 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.437 -3.626 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.358 -2.157 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.211 0.013 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.542 0.169 1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.898 -0.143 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.067 -3.066 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.674 -1.482 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.482 -2.974 -1.404 1.00 0.00 H new ATOM 986 N CYS A 59 4.216 -0.764 1.801 1.00 0.00 N ATOM 987 CA CYS A 59 4.925 0.167 2.662 1.00 0.00 C ATOM 988 C CYS A 59 4.040 1.341 3.065 1.00 0.00 C ATOM 989 O CYS A 59 3.189 1.790 2.297 1.00 0.00 O ATOM 990 CB CYS A 59 6.170 0.675 1.936 1.00 0.00 C ATOM 991 SG CYS A 59 7.054 -0.634 1.031 1.00 0.00 S ATOM 0 H CYS A 59 4.582 -0.810 0.850 1.00 0.00 H new ATOM 0 HA CYS A 59 5.213 -0.357 3.573 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.881 1.460 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.847 1.128 2.661 1.00 0.00 H new ATOM 0 HG CYS A 59 7.561 -0.141 -0.060 1.00 0.00 H new ATOM 996 N SER A 60 4.262 1.844 4.269 1.00 0.00 N ATOM 997 CA SER A 60 3.536 3.000 4.767 1.00 0.00 C ATOM 998 C SER A 60 3.955 4.258 4.011 1.00 0.00 C ATOM 999 O SER A 60 3.285 5.287 4.064 1.00 0.00 O ATOM 1000 CB SER A 60 3.803 3.163 6.261 1.00 0.00 C ATOM 1001 OG SER A 60 4.873 2.328 6.665 1.00 0.00 O ATOM 0 H SER A 60 4.946 1.465 4.924 1.00 0.00 H new ATOM 0 HA SER A 60 2.468 2.848 4.609 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.041 4.203 6.483 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.905 2.914 6.827 1.00 0.00 H new ATOM 0 HG SER A 60 4.518 1.471 6.980 1.00 0.00 H new ATOM 1007 N ALA A 61 5.063 4.150 3.285 1.00 0.00 N ATOM 1008 CA ALA A 61 5.589 5.261 2.506 1.00 0.00 C ATOM 1009 C ALA A 61 4.767 5.474 1.241 1.00 0.00 C ATOM 1010 O ALA A 61 5.006 6.411 0.483 1.00 0.00 O ATOM 1011 CB ALA A 61 7.045 5.010 2.157 1.00 0.00 C ATOM 0 H ALA A 61 5.617 3.296 3.221 1.00 0.00 H new ATOM 0 HA ALA A 61 5.522 6.167 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.429 5.847 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.627 4.909 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.126 4.093 1.573 1.00 0.00 H new ATOM 1017 N HIS A 62 3.796 4.597 1.020 1.00 0.00 N ATOM 1018 CA HIS A 62 2.911 4.710 -0.129 1.00 0.00 C ATOM 1019 C HIS A 62 1.666 5.507 0.250 1.00 0.00 C ATOM 1020 O HIS A 62 0.666 5.513 -0.465 1.00 0.00 O ATOM 1021 CB HIS A 62 2.530 3.319 -0.646 1.00 0.00 C ATOM 1022 CG HIS A 62 3.694 2.553 -1.200 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.331 2.860 -2.390 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.361 1.489 -0.681 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.347 1.988 -2.549 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.394 1.150 -1.537 1.00 0.00 N ATOM 0 H HIS A 62 3.602 3.798 1.624 1.00 0.00 H new ATOM 0 HA HIS A 62 3.431 5.238 -0.928 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.081 2.747 0.166 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.770 3.422 -1.421 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.077 3.611 -3.032 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.124 0.990 0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.026 1.979 -3.389 1.00 0.00 H new ATOM 1034 N PHE A 63 1.739 6.166 1.395 1.00 0.00 N ATOM 1035 CA PHE A 63 0.674 7.035 1.873 1.00 0.00 C ATOM 1036 C PHE A 63 1.288 8.340 2.355 1.00 0.00 C ATOM 1037 O PHE A 63 2.259 8.318 3.114 1.00 0.00 O ATOM 1038 CB PHE A 63 -0.103 6.382 3.032 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.591 4.986 2.754 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.260 3.899 2.888 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.899 4.762 2.354 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.181 2.618 2.628 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.345 3.482 2.094 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.484 2.410 2.229 1.00 0.00 C ATOM 0 H PHE A 63 2.542 6.114 2.022 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.023 7.215 1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.537 6.360 3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.960 7.010 3.276 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.282 4.058 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.575 5.597 2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.492 1.781 2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.367 3.318 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.832 1.409 2.022 1.00 0.00 H new ATOM 1054 N GLU A 64 0.751 9.471 1.911 1.00 0.00 N ATOM 1055 CA GLU A 64 1.237 10.759 2.393 1.00 0.00 C ATOM 1056 C GLU A 64 0.877 10.922 3.867 1.00 0.00 C ATOM 1057 O GLU A 64 -0.261 11.246 4.218 1.00 0.00 O ATOM 1058 CB GLU A 64 0.683 11.923 1.563 1.00 0.00 C ATOM 1059 CG GLU A 64 -0.752 11.742 1.108 1.00 0.00 C ATOM 1060 CD GLU A 64 -1.536 13.037 1.121 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -0.929 14.111 0.927 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -2.763 12.987 1.329 1.00 0.00 O ATOM 0 H GLU A 64 -0.007 9.524 1.231 1.00 0.00 H new ATOM 0 HA GLU A 64 2.321 10.779 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.752 12.838 2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.315 12.060 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.760 11.327 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.245 11.017 1.755 1.00 0.00 H new ATOM 1069 N GLY A 65 1.856 10.673 4.721 1.00 0.00 N ATOM 1070 CA GLY A 65 1.618 10.648 6.145 1.00 0.00 C ATOM 1071 C GLY A 65 2.157 9.376 6.767 1.00 0.00 C ATOM 1072 O GLY A 65 2.514 9.351 7.943 1.00 0.00 O ATOM 0 H GLY A 65 2.821 10.486 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.091 11.513 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.548 10.726 6.339 1.00 0.00 H new ATOM 1076 N GLY A 66 2.227 8.321 5.959 1.00 0.00 N ATOM 1077 CA GLY A 66 2.761 7.052 6.419 1.00 0.00 C ATOM 1078 C GLY A 66 1.814 6.298 7.334 1.00 0.00 C ATOM 1079 O GLY A 66 2.250 5.493 8.161 1.00 0.00 O ATOM 0 H GLY A 66 1.920 8.324 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.993 6.429 5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.699 7.230 6.945 1.00 0.00 H new ATOM 1083 N GLU A 67 0.518 6.527 7.175 1.00 0.00 N ATOM 1084 CA GLU A 67 -0.468 5.946 8.074 1.00 0.00 C ATOM 1085 C GLU A 67 -1.639 5.339 7.307 1.00 0.00 C ATOM 1086 O GLU A 67 -2.136 5.922 6.345 1.00 0.00 O ATOM 1087 CB GLU A 67 -0.983 7.014 9.039 1.00 0.00 C ATOM 1088 CG GLU A 67 -1.340 6.478 10.417 1.00 0.00 C ATOM 1089 CD GLU A 67 -2.384 7.323 11.118 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -2.498 8.525 10.797 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -3.095 6.791 11.998 1.00 0.00 O ATOM 0 H GLU A 67 0.126 7.109 6.435 1.00 0.00 H new ATOM 0 HA GLU A 67 0.019 5.147 8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.224 7.789 9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.863 7.488 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.709 5.457 10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.440 6.436 11.031 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.053 4.153 7.734 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.276 3.531 7.242 1.00 0.00 C ATOM 1100 C LYS A 68 -4.387 3.741 8.262 1.00 0.00 C ATOM 1101 O LYS A 68 -4.299 3.256 9.393 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.065 2.031 7.006 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.337 1.289 6.638 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.303 0.827 5.196 1.00 0.00 C ATOM 1105 CE LYS A 68 -4.567 1.983 4.253 1.00 0.00 C ATOM 1106 NZ LYS A 68 -6.011 2.334 4.191 1.00 0.00 N ATOM 0 H LYS A 68 -1.553 3.597 8.428 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.551 3.991 6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.333 1.896 6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.642 1.586 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.463 0.429 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.198 1.938 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.331 0.386 4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.050 0.048 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.996 2.853 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.214 1.724 3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.246 2.670 3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.582 1.494 4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.216 3.084 4.882 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.424 4.463 7.869 1.00 0.00 N ATOM 1121 CA LYS A 69 -6.517 4.772 8.777 1.00 0.00 C ATOM 1122 C LYS A 69 -7.854 4.351 8.177 1.00 0.00 C ATOM 1123 O LYS A 69 -8.474 3.392 8.638 1.00 0.00 O ATOM 1124 CB LYS A 69 -6.538 6.268 9.119 1.00 0.00 C ATOM 1125 CG LYS A 69 -5.720 7.137 8.178 1.00 0.00 C ATOM 1126 CD LYS A 69 -6.126 8.597 8.276 1.00 0.00 C ATOM 1127 CE LYS A 69 -4.928 9.494 8.530 1.00 0.00 C ATOM 1128 NZ LYS A 69 -4.684 9.692 9.982 1.00 0.00 N ATOM 0 H LYS A 69 -5.532 4.845 6.930 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.356 4.210 9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.571 6.616 9.110 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.165 6.402 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.661 7.036 8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.851 6.790 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.620 8.901 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.851 8.721 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.042 9.057 8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.091 10.461 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.178 10.588 10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.593 9.720 10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.110 8.906 10.348 1.00 0.00 H new ATOM 1142 N GLU A 70 -8.283 5.050 7.134 1.00 0.00 N ATOM 1143 CA GLU A 70 -9.582 4.788 6.533 1.00 0.00 C ATOM 1144 C GLU A 70 -9.429 4.336 5.078 1.00 0.00 C ATOM 1145 O GLU A 70 -8.756 3.337 4.797 1.00 0.00 O ATOM 1146 CB GLU A 70 -10.472 6.032 6.629 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.719 5.820 7.476 1.00 0.00 C ATOM 1148 CD GLU A 70 -11.556 6.315 8.900 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -11.091 5.535 9.759 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -11.905 7.485 9.175 1.00 0.00 O ATOM 0 H GLU A 70 -7.753 5.799 6.689 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.061 3.979 7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.892 6.853 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.771 6.334 5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.560 6.335 7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.965 4.758 7.492 1.00 0.00 H new ATOM 1157 N GLY A 71 -10.028 5.083 4.156 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.035 4.688 2.756 1.00 0.00 C ATOM 1159 C GLY A 71 -8.780 5.108 2.014 1.00 0.00 C ATOM 1160 O GLY A 71 -8.844 5.518 0.858 1.00 0.00 O ATOM 0 H GLY A 71 -10.511 5.959 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.144 3.605 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.904 5.126 2.265 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.644 5.008 2.679 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.363 5.376 2.081 1.00 0.00 C ATOM 1166 C ASP A 72 -5.869 4.270 1.154 1.00 0.00 C ATOM 1167 O ASP A 72 -5.770 3.109 1.560 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.311 5.652 3.174 1.00 0.00 C ATOM 1169 CG ASP A 72 -5.904 5.711 4.569 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.405 6.777 4.971 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.885 4.674 5.264 1.00 0.00 O ATOM 0 H ASP A 72 -7.577 4.673 3.640 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.510 6.286 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.549 4.873 3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.810 6.596 2.958 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.590 4.633 -0.092 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.039 3.705 -1.080 1.00 0.00 C ATOM 1178 C ILE A 73 -3.555 4.010 -1.297 1.00 0.00 C ATOM 1179 O ILE A 73 -3.160 5.172 -1.295 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.812 3.822 -2.421 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.250 3.350 -2.240 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.145 3.038 -3.543 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.263 4.286 -2.850 1.00 0.00 C ATOM 0 H ILE A 73 -5.738 5.577 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.146 2.686 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.803 4.873 -2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.361 2.363 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.459 3.242 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.723 3.151 -4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.135 3.417 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.098 1.983 -3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.266 3.893 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.178 5.268 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.078 4.375 -3.921 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.709 2.983 -1.476 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.268 3.179 -1.642 1.00 0.00 C ATOM 1197 C PRO A 74 -0.925 3.815 -2.987 1.00 0.00 C ATOM 1198 O PRO A 74 -1.264 3.278 -4.035 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.706 1.758 -1.563 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.823 0.882 -2.008 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.086 1.561 -1.561 1.00 0.00 C ATOM 0 HA PRO A 74 -0.857 3.855 -0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.167 1.642 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.391 1.513 -0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.811 0.754 -3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.738 -0.112 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.898 1.404 -2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.427 1.179 -0.599 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.263 4.960 -2.955 1.00 0.00 N ATOM 1210 CA VAL A 75 0.123 5.639 -4.182 1.00 0.00 C ATOM 1211 C VAL A 75 1.564 5.303 -4.557 1.00 0.00 C ATOM 1212 O VAL A 75 2.369 4.927 -3.701 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.041 7.175 -4.084 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.474 7.573 -4.395 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.380 7.689 -2.714 1.00 0.00 C ATOM 0 H VAL A 75 0.017 5.437 -2.098 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.551 5.280 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 75 0.615 7.635 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.575 8.656 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.730 7.252 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.147 7.097 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.253 8.771 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.238 7.224 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.426 7.440 -2.538 1.00 0.00 H new ATOM 1225 N PRO A 76 1.906 5.429 -5.847 1.00 0.00 N ATOM 1226 CA PRO A 76 3.244 5.097 -6.346 1.00 0.00 C ATOM 1227 C PRO A 76 4.278 6.151 -5.970 1.00 0.00 C ATOM 1228 O PRO A 76 5.478 5.880 -5.929 1.00 0.00 O ATOM 1229 CB PRO A 76 3.047 5.049 -7.860 1.00 0.00 C ATOM 1230 CG PRO A 76 1.917 5.983 -8.125 1.00 0.00 C ATOM 1231 CD PRO A 76 1.013 5.904 -6.923 1.00 0.00 C ATOM 0 HA PRO A 76 3.624 4.167 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 76 3.949 5.360 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.813 4.039 -8.197 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.280 7.000 -8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.383 5.700 -9.032 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.578 6.875 -6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.184 5.216 -7.089 1.00 0.00 H new ATOM 1239 N ASP A 77 3.791 7.350 -5.688 1.00 0.00 N ATOM 1240 CA ASP A 77 4.643 8.480 -5.350 1.00 0.00 C ATOM 1241 C ASP A 77 3.788 9.617 -4.820 1.00 0.00 C ATOM 1242 O ASP A 77 3.230 10.380 -5.601 1.00 0.00 O ATOM 1243 CB ASP A 77 5.418 8.964 -6.581 1.00 0.00 C ATOM 1244 CG ASP A 77 6.827 9.414 -6.254 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.988 10.473 -5.609 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.785 8.721 -6.659 1.00 0.00 O ATOM 0 H ASP A 77 2.794 7.567 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 77 5.356 8.161 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.461 8.160 -7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.877 9.790 -7.043 1.00 0.00 H new ATOM 1251 N PRO A 78 3.662 9.746 -3.490 1.00 0.00 N ATOM 1252 CA PRO A 78 2.827 10.785 -2.866 1.00 0.00 C ATOM 1253 C PRO A 78 3.258 12.198 -3.259 1.00 0.00 C ATOM 1254 O PRO A 78 2.483 13.149 -3.156 1.00 0.00 O ATOM 1255 CB PRO A 78 3.036 10.565 -1.363 1.00 0.00 C ATOM 1256 CG PRO A 78 3.528 9.164 -1.238 1.00 0.00 C ATOM 1257 CD PRO A 78 4.319 8.894 -2.485 1.00 0.00 C ATOM 0 HA PRO A 78 1.787 10.706 -3.182 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.758 11.274 -0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.107 10.707 -0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.147 9.045 -0.349 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.697 8.465 -1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.370 9.156 -2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.284 7.841 -2.764 1.00 0.00 H new ATOM 1265 N THR A 79 4.498 12.325 -3.703 1.00 0.00 N ATOM 1266 CA THR A 79 5.047 13.605 -4.118 1.00 0.00 C ATOM 1267 C THR A 79 4.611 13.970 -5.539 1.00 0.00 C ATOM 1268 O THR A 79 4.573 15.147 -5.908 1.00 0.00 O ATOM 1269 CB THR A 79 6.581 13.563 -4.049 1.00 0.00 C ATOM 1270 OG1 THR A 79 7.010 12.239 -3.686 1.00 0.00 O ATOM 1271 CG2 THR A 79 7.103 14.563 -3.029 1.00 0.00 C ATOM 0 H THR A 79 5.151 11.546 -3.786 1.00 0.00 H new ATOM 0 HA THR A 79 4.665 14.366 -3.438 1.00 0.00 H new ATOM 0 HB THR A 79 6.979 13.826 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.102 11.692 -4.494 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.192 14.516 -2.997 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.792 15.568 -3.313 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.701 14.323 -2.045 1.00 0.00 H new ATOM 1279 N VAL A 80 4.261 12.960 -6.325 1.00 0.00 N ATOM 1280 CA VAL A 80 3.942 13.162 -7.734 1.00 0.00 C ATOM 1281 C VAL A 80 2.478 12.836 -8.028 1.00 0.00 C ATOM 1282 O VAL A 80 1.763 13.637 -8.634 1.00 0.00 O ATOM 1283 CB VAL A 80 4.859 12.304 -8.638 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.329 12.244 -10.063 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.281 12.844 -8.623 1.00 0.00 C ATOM 0 H VAL A 80 4.191 11.992 -6.011 1.00 0.00 H new ATOM 0 HA VAL A 80 4.112 14.216 -7.954 1.00 0.00 H new ATOM 0 HB VAL A 80 4.866 11.290 -8.239 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.995 11.634 -10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.332 11.803 -10.062 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.280 13.252 -10.476 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.911 12.228 -9.264 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.284 13.871 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.668 12.821 -7.604 1.00 0.00 H new ATOM 1295 N ASP A 81 2.040 11.663 -7.593 1.00 0.00 N ATOM 1296 CA ASP A 81 0.683 11.205 -7.855 1.00 0.00 C ATOM 1297 C ASP A 81 -0.246 11.623 -6.727 1.00 0.00 C ATOM 1298 O ASP A 81 0.135 11.596 -5.556 1.00 0.00 O ATOM 1299 CB ASP A 81 0.650 9.682 -8.023 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.556 9.203 -8.812 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -1.371 10.046 -9.241 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -0.691 7.980 -9.013 1.00 0.00 O ATOM 0 H ASP A 81 2.608 11.009 -7.055 1.00 0.00 H new ATOM 0 HA ASP A 81 0.342 11.666 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.560 9.357 -8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.645 9.213 -7.039 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.459 12.014 -7.085 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.441 12.440 -6.108 1.00 0.00 C ATOM 1309 C LYS A 82 -2.942 11.251 -5.301 1.00 0.00 C ATOM 1310 O LYS A 82 -3.682 10.410 -5.821 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.617 13.147 -6.791 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.785 14.597 -6.360 1.00 0.00 C ATOM 1313 CD LYS A 82 -4.958 14.762 -5.405 1.00 0.00 C ATOM 1314 CE LYS A 82 -4.515 15.354 -4.075 1.00 0.00 C ATOM 1315 NZ LYS A 82 -5.415 14.955 -2.960 1.00 0.00 N ATOM 0 H LYS A 82 -1.785 12.044 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.960 13.145 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.475 13.111 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.535 12.602 -6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.871 14.943 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.939 15.223 -7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.710 15.407 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.429 13.794 -5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.498 15.029 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.493 16.441 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.078 15.380 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.381 15.287 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.417 13.919 -2.869 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.460 11.170 -4.059 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.922 10.205 -3.056 1.00 0.00 C ATOM 1331 C GLN A 83 -4.360 9.750 -3.297 1.00 0.00 C ATOM 1332 O GLN A 83 -5.304 10.535 -3.188 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.792 10.833 -1.663 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.469 10.046 -0.552 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.739 8.764 -0.213 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.568 8.779 0.167 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.432 7.649 -0.348 1.00 0.00 N ATOM 0 H GLN A 83 -1.723 11.785 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.296 9.316 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.734 10.939 -1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.215 11.837 -1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.534 10.669 0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.490 9.809 -0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.400 7.686 -0.666 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.999 6.750 -0.134 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.523 8.480 -3.634 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.843 7.934 -3.878 1.00 0.00 C ATOM 1348 C ILE A 84 -6.528 7.624 -2.552 1.00 0.00 C ATOM 1349 O ILE A 84 -5.961 6.947 -1.695 1.00 0.00 O ATOM 1350 CB ILE A 84 -5.806 6.654 -4.750 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -4.742 6.757 -5.842 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.164 6.403 -5.382 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -3.863 5.533 -5.939 1.00 0.00 C ATOM 0 H ILE A 84 -3.759 7.813 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.405 8.689 -4.428 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.552 5.818 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.232 6.921 -6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.118 7.630 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.121 5.500 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.912 6.277 -4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.436 7.252 -6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.130 5.673 -6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.346 5.380 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.477 4.661 -6.162 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.727 8.154 -2.371 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.482 7.930 -1.147 1.00 0.00 C ATOM 1367 C LYS A 85 -9.956 7.691 -1.464 1.00 0.00 C ATOM 1368 O LYS A 85 -10.452 8.113 -2.513 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.329 9.127 -0.201 1.00 0.00 C ATOM 1370 CG LYS A 85 -8.567 10.474 -0.866 1.00 0.00 C ATOM 1371 CD LYS A 85 -9.770 11.184 -0.271 1.00 0.00 C ATOM 1372 CE LYS A 85 -9.776 12.664 -0.621 1.00 0.00 C ATOM 1373 NZ LYS A 85 -10.902 13.379 0.028 1.00 0.00 N ATOM 0 H LYS A 85 -8.199 8.743 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 85 -8.086 7.042 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.028 9.014 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.325 9.115 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.681 11.099 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.720 10.331 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.685 10.719 -0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.764 11.066 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.833 13.114 -0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.846 12.781 -1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.902 14.374 -0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.801 12.933 -0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.794 13.332 1.061 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.643 6.998 -0.571 1.00 0.00 N ATOM 1388 CA ILE A 86 -12.074 6.783 -0.705 1.00 0.00 C ATOM 1389 C ILE A 86 -12.813 7.413 0.463 1.00 0.00 C ATOM 1390 O ILE A 86 -12.415 7.248 1.616 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.450 5.288 -0.755 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.403 4.485 -1.516 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.823 5.119 -1.388 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -10.934 3.251 -0.775 1.00 0.00 C ATOM 0 H ILE A 86 -10.230 6.573 0.259 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.364 7.246 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.483 4.906 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.815 4.186 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.544 5.124 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.081 4.061 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.565 5.656 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.808 5.519 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.190 2.727 -1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.492 3.544 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.782 2.591 -0.593 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.882 8.127 0.163 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.725 8.691 1.201 1.00 0.00 C ATOM 1408 C GLU A 87 -15.820 7.694 1.555 1.00 0.00 C ATOM 1409 O GLU A 87 -16.814 7.559 0.842 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.335 10.019 0.747 1.00 0.00 C ATOM 1411 CG GLU A 87 -14.852 11.214 1.551 1.00 0.00 C ATOM 1412 CD GLU A 87 -14.175 12.261 0.694 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -13.133 11.954 0.080 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -14.685 13.400 0.625 1.00 0.00 O ATOM 0 H GLU A 87 -14.187 8.330 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 87 -14.117 8.890 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.097 10.178 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.421 9.956 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.699 11.666 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.156 10.873 2.318 1.00 0.00 H new