USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 734 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 39 GLN : amide:sc= -2.22 K(o=-5.4,f=-11!) USER MOD Set 1.2: A 105 HIS : no HD1:sc= -3.23 K(o=-5.4,f=-6.4!) USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= -0.472 USER MOD Set 2.2: A 26 SER OG : rot -97:sc= -0.049 USER MOD Single : A 1 GLU N :NH3+ -171:sc= -0.132 (180deg=-0.385) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 146:sc= -0.127! USER MOD Single : A 11 GLN :FLIP amide:sc= -3.6 F(o=-4.5!,f=-3.6) USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= -0.362 (180deg=-2.02!) USER MOD Single : A 15 ASN : amide:sc= -8.71! C(o=-8.7!,f=-11!) USER MOD Single : A 18 ASN : amide:sc= -0.903! C(o=-0.9!,f=-3.7!) USER MOD Single : A 28 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.41) USER MOD Single : A 31 THR OG1 : rot 79:sc= 0.668 USER MOD Single : A 32 SER OG : rot -1:sc= 1.1 USER MOD Single : A 38 SER OG : rot -56:sc= 0.841 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.5) USER MOD Single : A 55 SER OG : rot -103:sc= 0.814 USER MOD Single : A 60 MET CE :methyl 159:sc= -11.2! (180deg=-12.5!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 54:sc= 0.981 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 70 TYR OH : rot 158:sc= -1.02 USER MOD Single : A 74 SER OG : rot 180:sc= -1.64! USER MOD Single : A 82 ASN :FLIP amide:sc= -2.9! C(o=-5!,f=-2.9!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.773 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot -48:sc= 0.889 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -7.746 -11.714 13.772 1.00 1.00 N ATOM 2 CA GLU A 1 -6.357 -11.759 14.195 1.00 1.00 C ATOM 3 C GLU A 1 -6.099 -10.716 15.284 1.00 1.00 C ATOM 4 O GLU A 1 -5.261 -10.922 16.161 1.00 1.00 O ATOM 5 CB GLU A 1 -5.414 -11.554 13.007 1.00 1.00 C ATOM 6 CG GLU A 1 -5.516 -10.127 12.465 1.00 1.00 C ATOM 7 CD GLU A 1 -4.333 -9.802 11.551 1.00 1.00 C ATOM 8 OE1 GLU A 1 -3.260 -10.402 11.776 1.00 1.00 O ATOM 9 OE2 GLU A 1 -4.529 -8.962 10.647 1.00 1.00 O ATOM 0 H1 GLU A 1 -7.945 -12.522 13.148 1.00 1.00 H new ATOM 0 H2 GLU A 1 -8.365 -11.761 14.607 1.00 1.00 H new ATOM 0 H3 GLU A 1 -7.924 -10.827 13.258 1.00 1.00 H new ATOM 0 HA GLU A 1 -6.157 -12.747 14.610 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -4.388 -11.758 13.313 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -5.658 -12.265 12.218 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -6.449 -10.009 11.914 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -5.544 -9.420 13.294 1.00 1.00 H new ATOM 16 N LYS A 2 -6.835 -9.617 15.193 1.00 1.00 N ATOM 17 CA LYS A 2 -6.697 -8.542 16.161 1.00 1.00 C ATOM 18 C LYS A 2 -5.328 -7.880 15.989 1.00 1.00 C ATOM 19 O LYS A 2 -4.345 -8.318 16.585 1.00 1.00 O ATOM 20 CB LYS A 2 -6.958 -9.057 17.576 1.00 1.00 C ATOM 21 CG LYS A 2 -7.700 -8.012 18.412 1.00 1.00 C ATOM 22 CD LYS A 2 -8.710 -8.677 19.350 1.00 1.00 C ATOM 23 CE LYS A 2 -9.663 -7.642 19.951 1.00 1.00 C ATOM 24 NZ LYS A 2 -10.294 -8.171 21.181 1.00 1.00 N ATOM 0 H LYS A 2 -7.528 -9.448 14.464 1.00 1.00 H new ATOM 0 HA LYS A 2 -7.448 -7.772 15.985 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -7.545 -9.975 17.530 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -6.012 -9.307 18.056 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -6.984 -7.432 18.995 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.215 -7.313 17.753 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -9.280 -9.428 18.803 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -8.182 -9.198 20.149 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -9.118 -6.726 20.180 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -10.432 -7.382 19.224 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -10.938 -7.456 21.576 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -10.831 -9.032 20.953 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -9.557 -8.397 21.879 1.00 1.00 H new ATOM 38 N PRO A 3 -5.308 -6.810 15.150 1.00 1.00 N ATOM 39 CA PRO A 3 -4.076 -6.084 14.893 1.00 1.00 C ATOM 40 C PRO A 3 -3.700 -5.201 16.085 1.00 1.00 C ATOM 41 O PRO A 3 -4.404 -5.181 17.093 1.00 1.00 O ATOM 42 CB PRO A 3 -4.344 -5.289 13.626 1.00 1.00 C ATOM 43 CG PRO A 3 -5.856 -5.236 13.481 1.00 1.00 C ATOM 44 CD PRO A 3 -6.453 -6.264 14.427 1.00 1.00 C ATOM 0 HA PRO A 3 -3.219 -6.745 14.759 1.00 1.00 H new ATOM 0 HB2 PRO A 3 -3.923 -4.286 13.697 1.00 1.00 H new ATOM 0 HB3 PRO A 3 -3.885 -5.767 12.760 1.00 1.00 H new ATOM 0 HG2 PRO A 3 -6.227 -4.239 13.718 1.00 1.00 H new ATOM 0 HG3 PRO A 3 -6.148 -5.449 12.453 1.00 1.00 H new ATOM 0 HD2 PRO A 3 -7.170 -5.806 15.108 1.00 1.00 H new ATOM 0 HD3 PRO A 3 -6.985 -7.043 13.881 1.00 1.00 H new ATOM 52 N ALA A 4 -2.591 -4.493 15.930 1.00 1.00 N ATOM 53 CA ALA A 4 -2.113 -3.610 16.981 1.00 1.00 C ATOM 54 C ALA A 4 -3.178 -2.552 17.274 1.00 1.00 C ATOM 55 O ALA A 4 -4.281 -2.879 17.707 1.00 1.00 O ATOM 56 CB ALA A 4 -0.777 -2.994 16.562 1.00 1.00 C ATOM 0 H ALA A 4 -2.009 -4.513 15.092 1.00 1.00 H new ATOM 0 HA ALA A 4 -1.939 -4.167 17.902 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -0.419 -2.332 17.350 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -0.048 -3.786 16.394 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -0.912 -2.424 15.643 1.00 1.00 H new ATOM 62 N ALA A 5 -2.809 -1.303 17.026 1.00 1.00 N ATOM 63 CA ALA A 5 -3.719 -0.194 17.258 1.00 1.00 C ATOM 64 C ALA A 5 -3.281 1.004 16.413 1.00 1.00 C ATOM 65 O ALA A 5 -4.114 1.678 15.807 1.00 1.00 O ATOM 66 CB ALA A 5 -3.757 0.130 18.753 1.00 1.00 C ATOM 0 H ALA A 5 -1.893 -1.035 16.667 1.00 1.00 H new ATOM 0 HA ALA A 5 -4.732 -0.458 16.955 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -4.439 0.962 18.928 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -4.101 -0.744 19.306 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -2.758 0.403 19.092 1.00 1.00 H new ATOM 72 N CYS A 6 -1.977 1.233 16.398 1.00 1.00 N ATOM 73 CA CYS A 6 -1.419 2.337 15.637 1.00 1.00 C ATOM 74 C CYS A 6 -1.896 2.212 14.188 1.00 1.00 C ATOM 75 O CYS A 6 -1.824 3.171 13.422 1.00 1.00 O ATOM 76 CB CYS A 6 0.107 2.378 15.734 1.00 1.00 C ATOM 77 SG CYS A 6 0.759 2.943 17.348 1.00 1.00 S ATOM 0 H CYS A 6 -1.290 0.672 16.901 1.00 1.00 H new ATOM 0 HA CYS A 6 -1.769 3.282 16.053 1.00 1.00 H new ATOM 0 HB2 CYS A 6 0.497 1.381 15.530 1.00 1.00 H new ATOM 0 HB3 CYS A 6 0.489 3.036 14.953 1.00 1.00 H new ATOM 82 N ARG A 7 -2.373 1.021 13.857 1.00 1.00 N ATOM 83 CA ARG A 7 -2.861 0.757 12.514 1.00 1.00 C ATOM 84 C ARG A 7 -4.391 0.771 12.494 1.00 1.00 C ATOM 85 O ARG A 7 -5.008 0.181 11.608 1.00 1.00 O ATOM 86 CB ARG A 7 -2.362 -0.596 12.003 1.00 1.00 C ATOM 87 CG ARG A 7 -2.577 -1.691 13.050 1.00 1.00 C ATOM 88 CD ARG A 7 -1.704 -2.912 12.754 1.00 1.00 C ATOM 89 NE ARG A 7 -2.466 -3.896 11.954 1.00 1.00 N ATOM 90 CZ ARG A 7 -1.921 -4.973 11.370 1.00 1.00 C ATOM 91 NH1 ARG A 7 -0.608 -5.210 11.494 1.00 1.00 N ATOM 92 NH2 ARG A 7 -2.689 -5.812 10.663 1.00 1.00 N ATOM 0 H ARG A 7 -2.432 0.228 14.496 1.00 1.00 H new ATOM 0 HA ARG A 7 -2.479 1.542 11.861 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -2.887 -0.858 11.085 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -1.303 -0.527 11.756 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -2.341 -1.303 14.041 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -3.627 -1.985 13.064 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -0.808 -2.607 12.213 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -1.373 -3.368 13.687 1.00 1.00 H new ATOM 0 HE ARG A 7 -3.468 -3.746 11.840 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -0.023 -4.571 12.033 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -0.193 -6.029 11.050 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -3.689 -5.632 10.569 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -2.274 -6.631 10.219 1.00 1.00 H new ATOM 106 N CYS A 8 -4.958 1.449 13.481 1.00 1.00 N ATOM 107 CA CYS A 8 -6.404 1.546 13.587 1.00 1.00 C ATOM 108 C CYS A 8 -6.747 2.873 14.266 1.00 1.00 C ATOM 109 O CYS A 8 -7.704 3.543 13.882 1.00 1.00 O ATOM 110 CB CYS A 8 -6.999 0.352 14.335 1.00 1.00 C ATOM 111 SG CYS A 8 -6.084 -1.220 14.121 1.00 1.00 S ATOM 0 H CYS A 8 -4.443 1.936 14.214 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.846 1.523 12.591 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -7.040 0.591 15.398 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -8.026 0.207 14.001 1.00 1.00 H new ATOM 116 N SER A 9 -5.947 3.214 15.266 1.00 1.00 N ATOM 117 CA SER A 9 -6.154 4.449 16.004 1.00 1.00 C ATOM 118 C SER A 9 -6.234 5.630 15.034 1.00 1.00 C ATOM 119 O SER A 9 -7.161 5.717 14.231 1.00 1.00 O ATOM 120 CB SER A 9 -5.037 4.674 17.025 1.00 1.00 C ATOM 121 OG SER A 9 -3.813 5.054 16.402 1.00 1.00 O ATOM 0 H SER A 9 -5.154 2.656 15.583 1.00 1.00 H new ATOM 0 HA SER A 9 -7.095 4.370 16.548 1.00 1.00 H new ATOM 0 HB2 SER A 9 -5.341 5.448 17.730 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.883 3.761 17.601 1.00 1.00 H new ATOM 0 HG SER A 9 -3.330 5.679 16.983 1.00 1.00 H new ATOM 127 N ARG A 10 -5.248 6.509 15.141 1.00 1.00 N ATOM 128 CA ARG A 10 -5.195 7.681 14.283 1.00 1.00 C ATOM 129 C ARG A 10 -4.733 7.290 12.879 1.00 1.00 C ATOM 130 O ARG A 10 -4.640 8.139 11.993 1.00 1.00 O ATOM 131 CB ARG A 10 -4.242 8.736 14.851 1.00 1.00 C ATOM 132 CG ARG A 10 -4.902 10.116 14.871 1.00 1.00 C ATOM 133 CD ARG A 10 -4.578 10.896 13.596 1.00 1.00 C ATOM 134 NE ARG A 10 -5.278 12.201 13.609 1.00 1.00 N ATOM 135 CZ ARG A 10 -6.538 12.382 13.191 1.00 1.00 C ATOM 136 NH1 ARG A 10 -7.244 11.344 12.723 1.00 1.00 N ATOM 137 NH2 ARG A 10 -7.091 13.601 13.240 1.00 1.00 N ATOM 0 H ARG A 10 -4.480 6.433 15.808 1.00 1.00 H new ATOM 0 HA ARG A 10 -6.199 8.103 14.234 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -3.945 8.456 15.862 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -3.333 8.772 14.250 1.00 1.00 H new ATOM 0 HG2 ARG A 10 -5.982 10.005 14.970 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -4.558 10.675 15.741 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -3.502 11.052 13.519 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -4.880 10.321 12.721 1.00 1.00 H new ATOM 0 HE ARG A 10 -4.769 13.013 13.958 1.00 1.00 H new ATOM 0 HH11 ARG A 10 -6.822 10.416 12.685 1.00 1.00 H new ATOM 0 HH12 ARG A 10 -8.203 11.482 12.405 1.00 1.00 H new ATOM 0 HH21 ARG A 10 -6.553 14.391 13.595 1.00 1.00 H new ATOM 0 HH22 ARG A 10 -8.050 13.739 12.922 1.00 1.00 H new ATOM 151 N GLN A 11 -4.456 6.004 12.716 1.00 1.00 N ATOM 152 CA GLN A 11 -4.006 5.491 11.435 1.00 1.00 C ATOM 153 C GLN A 11 -3.460 6.629 10.569 1.00 1.00 C ATOM 154 O GLN A 11 -2.286 6.979 10.668 1.00 1.00 O ATOM 155 CB GLN A 11 -5.133 4.747 10.716 1.00 1.00 C ATOM 156 CG GLN A 11 -5.195 3.284 11.159 1.00 1.00 C ATOM 157 CD GLN A 11 -6.238 2.510 10.350 1.00 1.00 C ATOM 158 OE1 GLN A 11 -5.733 1.507 9.637 1.00 1.00 O flip ATOM 159 NE2 GLN A 11 -7.422 2.803 10.373 1.00 1.00 N flip ATOM 0 H GLN A 11 -4.535 5.302 13.452 1.00 1.00 H new ATOM 0 HA GLN A 11 -3.201 4.778 11.614 1.00 1.00 H new ATOM 0 HB2 GLN A 11 -6.086 5.234 10.924 1.00 1.00 H new ATOM 0 HB3 GLN A 11 -4.977 4.798 9.638 1.00 1.00 H new ATOM 0 HG2 GLN A 11 -4.216 2.821 11.035 1.00 1.00 H new ATOM 0 HG3 GLN A 11 -5.440 3.232 12.220 1.00 1.00 H new ATOM 0 HE21 GLN A 11 -7.743 3.586 10.943 1.00 1.00 H new ATOM 0 HE22 GLN A 11 -8.091 2.265 9.823 1.00 1.00 H new ATOM 168 N ASP A 12 -4.339 7.172 9.740 1.00 1.00 N ATOM 169 CA ASP A 12 -3.960 8.263 8.859 1.00 1.00 C ATOM 170 C ASP A 12 -4.960 9.411 9.015 1.00 1.00 C ATOM 171 O ASP A 12 -6.116 9.188 9.372 1.00 1.00 O ATOM 172 CB ASP A 12 -3.977 7.819 7.394 1.00 1.00 C ATOM 173 CG ASP A 12 -4.271 8.929 6.385 1.00 1.00 C ATOM 174 OD1 ASP A 12 -5.392 9.478 6.455 1.00 1.00 O ATOM 175 OD2 ASP A 12 -3.368 9.206 5.566 1.00 1.00 O ATOM 0 H ASP A 12 -5.312 6.877 9.660 1.00 1.00 H new ATOM 0 HA ASP A 12 -2.953 8.580 9.130 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.010 7.377 7.153 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.725 7.035 7.277 1.00 1.00 H new ATOM 180 N PRO A 13 -4.465 10.646 8.734 1.00 1.00 N ATOM 181 CA PRO A 13 -5.303 11.829 8.840 1.00 1.00 C ATOM 182 C PRO A 13 -6.281 11.916 7.667 1.00 1.00 C ATOM 183 O PRO A 13 -6.095 12.723 6.758 1.00 1.00 O ATOM 184 CB PRO A 13 -4.329 12.996 8.889 1.00 1.00 C ATOM 185 CG PRO A 13 -3.014 12.466 8.343 1.00 1.00 C ATOM 186 CD PRO A 13 -3.102 10.948 8.309 1.00 1.00 C ATOM 0 HA PRO A 13 -5.937 11.818 9.727 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -4.691 13.832 8.291 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -4.209 13.362 9.909 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -2.829 12.860 7.344 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -2.183 12.786 8.971 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -2.904 10.562 7.309 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -2.369 10.494 8.976 1.00 1.00 H new ATOM 194 N LYS A 14 -7.302 11.073 7.726 1.00 1.00 N ATOM 195 CA LYS A 14 -8.310 11.045 6.679 1.00 1.00 C ATOM 196 C LYS A 14 -7.877 10.066 5.587 1.00 1.00 C ATOM 197 O LYS A 14 -7.167 10.443 4.656 1.00 1.00 O ATOM 198 CB LYS A 14 -8.587 12.458 6.164 1.00 1.00 C ATOM 199 CG LYS A 14 -10.013 12.574 5.622 1.00 1.00 C ATOM 200 CD LYS A 14 -10.440 14.039 5.512 1.00 1.00 C ATOM 201 CE LYS A 14 -10.559 14.467 4.047 1.00 1.00 C ATOM 202 NZ LYS A 14 -11.325 13.464 3.275 1.00 1.00 N ATOM 0 H LYS A 14 -7.453 10.405 8.482 1.00 1.00 H new ATOM 0 HA LYS A 14 -9.259 10.683 7.074 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -8.441 13.178 6.969 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -7.874 12.709 5.379 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.073 12.099 4.643 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -10.700 12.040 6.278 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -11.396 14.182 6.015 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -9.714 14.672 6.022 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -11.052 15.437 3.984 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -9.565 14.586 3.615 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -11.867 13.942 2.527 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -10.669 12.781 2.845 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -11.979 12.963 3.910 1.00 1.00 H new ATOM 216 N ASN A 15 -8.322 8.826 5.737 1.00 1.00 N ATOM 217 CA ASN A 15 -7.989 7.791 4.775 1.00 1.00 C ATOM 218 C ASN A 15 -9.267 7.057 4.359 1.00 1.00 C ATOM 219 O ASN A 15 -9.222 6.139 3.542 1.00 1.00 O ATOM 220 CB ASN A 15 -7.031 6.763 5.380 1.00 1.00 C ATOM 221 CG ASN A 15 -5.601 6.990 4.887 1.00 1.00 C ATOM 222 OD1 ASN A 15 -5.290 7.971 4.232 1.00 1.00 O ATOM 223 ND2 ASN A 15 -4.749 6.029 5.236 1.00 1.00 N ATOM 0 H ASN A 15 -8.910 8.516 6.511 1.00 1.00 H new ATOM 0 HA ASN A 15 -7.512 8.268 3.919 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -7.059 6.830 6.468 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -7.356 5.757 5.114 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -3.771 6.088 4.954 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -5.074 5.234 5.786 1.00 1.00 H new ATOM 230 N ARG A 16 -10.375 7.491 4.940 1.00 1.00 N ATOM 231 CA ARG A 16 -11.663 6.888 4.640 1.00 1.00 C ATOM 232 C ARG A 16 -11.519 5.371 4.503 1.00 1.00 C ATOM 233 O ARG A 16 -10.668 4.763 5.151 1.00 1.00 O ATOM 234 CB ARG A 16 -12.250 7.457 3.346 1.00 1.00 C ATOM 235 CG ARG A 16 -11.412 7.042 2.136 1.00 1.00 C ATOM 236 CD ARG A 16 -12.243 7.090 0.851 1.00 1.00 C ATOM 237 NE ARG A 16 -12.162 8.438 0.246 1.00 1.00 N ATOM 238 CZ ARG A 16 -12.484 8.710 -1.025 1.00 1.00 C ATOM 239 NH1 ARG A 16 -12.909 7.730 -1.834 1.00 1.00 N ATOM 240 NH2 ARG A 16 -12.380 9.963 -1.489 1.00 1.00 N ATOM 0 H ARG A 16 -10.408 8.253 5.617 1.00 1.00 H new ATOM 0 HA ARG A 16 -12.338 7.120 5.464 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -13.274 7.105 3.222 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -12.292 8.544 3.409 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -10.551 7.703 2.041 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -11.025 6.034 2.286 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -11.880 6.343 0.145 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -13.282 6.843 1.070 1.00 1.00 H new ATOM 0 HE ARG A 16 -11.841 9.208 0.833 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -12.987 6.776 -1.482 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -13.154 7.938 -2.802 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -12.056 10.709 -0.874 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -12.625 10.170 -2.457 1.00 1.00 H new ATOM 254 N VAL A 17 -12.364 4.803 3.655 1.00 1.00 N ATOM 255 CA VAL A 17 -12.342 3.368 3.425 1.00 1.00 C ATOM 256 C VAL A 17 -13.000 2.656 4.607 1.00 1.00 C ATOM 257 O VAL A 17 -12.846 3.075 5.754 1.00 1.00 O ATOM 258 CB VAL A 17 -10.907 2.902 3.168 1.00 1.00 C ATOM 259 CG1 VAL A 17 -10.856 1.390 2.941 1.00 1.00 C ATOM 260 CG2 VAL A 17 -10.287 3.656 1.992 1.00 1.00 C ATOM 0 H VAL A 17 -13.068 5.310 3.119 1.00 1.00 H new ATOM 0 HA VAL A 17 -12.916 3.115 2.534 1.00 1.00 H new ATOM 0 HB VAL A 17 -10.317 3.128 4.056 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -9.826 1.084 2.761 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -11.238 0.877 3.823 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -11.468 1.131 2.077 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -9.268 3.305 1.832 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -10.878 3.478 1.093 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -10.273 4.724 2.211 1.00 1.00 H new ATOM 270 N ASN A 18 -13.720 1.591 4.289 1.00 1.00 N ATOM 271 CA ASN A 18 -14.404 0.815 5.311 1.00 1.00 C ATOM 272 C ASN A 18 -14.074 -0.667 5.127 1.00 1.00 C ATOM 273 O ASN A 18 -13.911 -1.135 4.001 1.00 1.00 O ATOM 274 CB ASN A 18 -15.921 0.979 5.205 1.00 1.00 C ATOM 275 CG ASN A 18 -16.355 1.138 3.746 1.00 1.00 C ATOM 276 OD1 ASN A 18 -15.876 1.993 3.019 1.00 1.00 O ATOM 277 ND2 ASN A 18 -17.285 0.269 3.361 1.00 1.00 N ATOM 0 H ASN A 18 -13.845 1.246 3.337 1.00 1.00 H new ATOM 0 HA ASN A 18 -14.070 1.173 6.285 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -16.416 0.112 5.643 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -16.237 1.850 5.779 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -17.641 0.293 2.405 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -17.643 -0.421 4.021 1.00 1.00 H new ATOM 284 N CYS A 19 -13.985 -1.365 6.249 1.00 1.00 N ATOM 285 CA CYS A 19 -13.678 -2.785 6.226 1.00 1.00 C ATOM 286 C CYS A 19 -14.585 -3.490 7.235 1.00 1.00 C ATOM 287 O CYS A 19 -14.111 -4.258 8.071 1.00 1.00 O ATOM 288 CB CYS A 19 -12.198 -3.048 6.507 1.00 1.00 C ATOM 289 SG CYS A 19 -11.643 -4.758 6.163 1.00 1.00 S ATOM 0 H CYS A 19 -14.120 -0.973 7.181 1.00 1.00 H new ATOM 0 HA CYS A 19 -13.867 -3.184 5.230 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -11.601 -2.360 5.908 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -11.995 -2.819 7.553 1.00 1.00 H new ATOM 294 N GLY A 20 -15.874 -3.204 7.126 1.00 1.00 N ATOM 295 CA GLY A 20 -16.853 -3.800 8.020 1.00 1.00 C ATOM 296 C GLY A 20 -18.269 -3.653 7.460 1.00 1.00 C ATOM 297 O GLY A 20 -18.487 -3.822 6.261 1.00 1.00 O ATOM 0 H GLY A 20 -16.264 -2.567 6.431 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -16.623 -4.856 8.165 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -16.794 -3.324 8.999 1.00 1.00 H new ATOM 301 N PHE A 21 -19.194 -3.338 8.354 1.00 1.00 N ATOM 302 CA PHE A 21 -20.583 -3.167 7.964 1.00 1.00 C ATOM 303 C PHE A 21 -21.288 -2.161 8.877 1.00 1.00 C ATOM 304 O PHE A 21 -20.794 -1.847 9.960 1.00 1.00 O ATOM 305 CB PHE A 21 -21.261 -4.531 8.110 1.00 1.00 C ATOM 306 CG PHE A 21 -21.266 -5.074 9.540 1.00 1.00 C ATOM 307 CD1 PHE A 21 -22.232 -4.681 10.414 1.00 1.00 C ATOM 308 CD2 PHE A 21 -20.306 -5.951 9.939 1.00 1.00 C ATOM 309 CE1 PHE A 21 -22.237 -5.185 11.741 1.00 1.00 C ATOM 310 CE2 PHE A 21 -20.311 -6.455 11.266 1.00 1.00 C ATOM 311 CZ PHE A 21 -21.276 -6.061 12.140 1.00 1.00 C ATOM 0 H PHE A 21 -19.009 -3.197 9.347 1.00 1.00 H new ATOM 0 HA PHE A 21 -20.639 -2.793 6.942 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -22.290 -4.453 7.758 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -20.756 -5.247 7.462 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -22.995 -3.985 10.098 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -19.539 -6.264 9.246 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -23.004 -4.873 12.434 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -19.548 -7.151 11.582 1.00 1.00 H new ATOM 0 HZ PHE A 21 -21.279 -6.443 13.150 1.00 1.00 H new ATOM 321 N PRO A 22 -22.461 -1.671 8.395 1.00 1.00 N ATOM 322 CA PRO A 22 -23.239 -0.707 9.154 1.00 1.00 C ATOM 323 C PRO A 22 -23.962 -1.383 10.322 1.00 1.00 C ATOM 324 O PRO A 22 -24.900 -2.150 10.114 1.00 1.00 O ATOM 325 CB PRO A 22 -24.191 -0.087 8.146 1.00 1.00 C ATOM 326 CG PRO A 22 -24.234 -1.047 6.969 1.00 1.00 C ATOM 327 CD PRO A 22 -23.076 -2.020 7.118 1.00 1.00 C ATOM 0 HA PRO A 22 -22.619 0.059 9.619 1.00 1.00 H new ATOM 0 HB2 PRO A 22 -25.183 0.047 8.577 1.00 1.00 H new ATOM 0 HB3 PRO A 22 -23.843 0.898 7.834 1.00 1.00 H new ATOM 0 HG2 PRO A 22 -25.183 -1.583 6.948 1.00 1.00 H new ATOM 0 HG3 PRO A 22 -24.156 -0.502 6.029 1.00 1.00 H new ATOM 0 HD2 PRO A 22 -23.424 -3.053 7.115 1.00 1.00 H new ATOM 0 HD3 PRO A 22 -22.367 -1.920 6.296 1.00 1.00 H new ATOM 335 N GLY A 23 -23.495 -1.075 11.523 1.00 1.00 N ATOM 336 CA GLY A 23 -24.086 -1.644 12.723 1.00 1.00 C ATOM 337 C GLY A 23 -23.067 -2.492 13.486 1.00 1.00 C ATOM 338 O GLY A 23 -23.411 -3.148 14.468 1.00 1.00 O ATOM 0 H GLY A 23 -22.715 -0.440 11.691 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -24.453 -0.844 13.366 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -24.946 -2.257 12.454 1.00 1.00 H new ATOM 342 N ILE A 24 -21.832 -2.452 13.006 1.00 1.00 N ATOM 343 CA ILE A 24 -20.761 -3.209 13.630 1.00 1.00 C ATOM 344 C ILE A 24 -20.594 -2.746 15.080 1.00 1.00 C ATOM 345 O ILE A 24 -21.269 -1.817 15.520 1.00 1.00 O ATOM 346 CB ILE A 24 -19.480 -3.107 12.801 1.00 1.00 C ATOM 347 CG1 ILE A 24 -18.498 -4.221 13.171 1.00 1.00 C ATOM 348 CG2 ILE A 24 -18.848 -1.720 12.934 1.00 1.00 C ATOM 349 CD1 ILE A 24 -17.691 -4.669 11.950 1.00 1.00 C ATOM 0 H ILE A 24 -21.550 -1.907 12.192 1.00 1.00 H new ATOM 0 HA ILE A 24 -21.010 -4.270 13.660 1.00 1.00 H new ATOM 0 HB ILE A 24 -19.742 -3.242 11.751 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -17.821 -3.870 13.950 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -19.044 -5.070 13.582 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -17.939 -1.675 12.334 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -19.551 -0.965 12.583 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -18.603 -1.530 13.979 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -17.001 -5.461 12.241 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -18.369 -5.042 11.183 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -17.127 -3.823 11.556 1.00 1.00 H new ATOM 361 N THR A 25 -19.691 -3.416 15.780 1.00 1.00 N ATOM 362 CA THR A 25 -19.426 -3.086 17.171 1.00 1.00 C ATOM 363 C THR A 25 -17.956 -2.711 17.359 1.00 1.00 C ATOM 364 O THR A 25 -17.646 -1.638 17.877 1.00 1.00 O ATOM 365 CB THR A 25 -19.866 -4.273 18.030 1.00 1.00 C ATOM 366 OG1 THR A 25 -18.859 -5.257 17.804 1.00 1.00 O ATOM 367 CG2 THR A 25 -21.148 -4.928 17.514 1.00 1.00 C ATOM 0 H THR A 25 -19.133 -4.186 15.411 1.00 1.00 H new ATOM 0 HA THR A 25 -19.994 -2.211 17.486 1.00 1.00 H new ATOM 0 HB THR A 25 -20.017 -3.940 19.057 1.00 1.00 H new ATOM 0 HG1 THR A 25 -19.065 -6.061 18.325 1.00 1.00 H new ATOM 0 HG21 THR A 25 -21.415 -5.764 18.160 1.00 1.00 H new ATOM 0 HG22 THR A 25 -21.956 -4.197 17.515 1.00 1.00 H new ATOM 0 HG23 THR A 25 -20.988 -5.291 16.499 1.00 1.00 H new ATOM 375 N SER A 26 -17.087 -3.614 16.928 1.00 1.00 N ATOM 376 CA SER A 26 -15.656 -3.391 17.043 1.00 1.00 C ATOM 377 C SER A 26 -14.913 -4.728 16.996 1.00 1.00 C ATOM 378 O SER A 26 -14.237 -5.033 16.015 1.00 1.00 O ATOM 379 CB SER A 26 -15.317 -2.640 18.332 1.00 1.00 C ATOM 380 OG SER A 26 -16.116 -3.075 19.429 1.00 1.00 O ATOM 0 H SER A 26 -17.347 -4.502 16.498 1.00 1.00 H new ATOM 0 HA SER A 26 -15.337 -2.775 16.202 1.00 1.00 H new ATOM 0 HB2 SER A 26 -14.263 -2.786 18.570 1.00 1.00 H new ATOM 0 HB3 SER A 26 -15.464 -1.571 18.178 1.00 1.00 H new ATOM 0 HG SER A 26 -16.877 -2.468 19.540 1.00 1.00 H new ATOM 386 N ASP A 27 -15.063 -5.490 18.069 1.00 1.00 N ATOM 387 CA ASP A 27 -14.416 -6.787 18.164 1.00 1.00 C ATOM 388 C ASP A 27 -14.576 -7.530 16.836 1.00 1.00 C ATOM 389 O ASP A 27 -13.589 -7.939 16.226 1.00 1.00 O ATOM 390 CB ASP A 27 -15.050 -7.641 19.264 1.00 1.00 C ATOM 391 CG ASP A 27 -15.391 -6.889 20.551 1.00 1.00 C ATOM 392 OD1 ASP A 27 -14.503 -6.837 21.430 1.00 1.00 O ATOM 393 OD2 ASP A 27 -16.530 -6.382 20.627 1.00 1.00 O ATOM 0 H ASP A 27 -15.624 -5.233 18.881 1.00 1.00 H new ATOM 0 HA ASP A 27 -13.364 -6.623 18.398 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -15.962 -8.092 18.872 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -14.369 -8.457 19.507 1.00 1.00 H new ATOM 398 N GLN A 28 -15.827 -7.683 16.427 1.00 1.00 N ATOM 399 CA GLN A 28 -16.129 -8.369 15.183 1.00 1.00 C ATOM 400 C GLN A 28 -15.393 -7.705 14.018 1.00 1.00 C ATOM 401 O GLN A 28 -15.101 -8.353 13.014 1.00 1.00 O ATOM 402 CB GLN A 28 -17.638 -8.405 14.930 1.00 1.00 C ATOM 403 CG GLN A 28 -18.350 -9.265 15.976 1.00 1.00 C ATOM 404 CD GLN A 28 -17.896 -10.725 15.886 1.00 1.00 C ATOM 405 OE1 GLN A 28 -17.016 -11.173 16.601 1.00 1.00 O ATOM 406 NE2 GLN A 28 -18.546 -11.437 14.969 1.00 1.00 N ATOM 0 H GLN A 28 -16.643 -7.343 16.936 1.00 1.00 H new ATOM 0 HA GLN A 28 -15.783 -9.399 15.265 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -18.038 -7.391 14.954 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -17.834 -8.802 13.934 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -18.143 -8.877 16.973 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -19.428 -9.206 15.828 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -19.273 -10.998 14.404 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -18.317 -12.421 14.831 1.00 1.00 H new ATOM 415 N CYS A 29 -15.114 -6.422 14.191 1.00 1.00 N ATOM 416 CA CYS A 29 -14.416 -5.664 13.166 1.00 1.00 C ATOM 417 C CYS A 29 -12.914 -5.898 13.333 1.00 1.00 C ATOM 418 O CYS A 29 -12.163 -5.858 12.360 1.00 1.00 O ATOM 419 CB CYS A 29 -14.772 -4.177 13.223 1.00 1.00 C ATOM 420 SG CYS A 29 -14.472 -3.255 11.669 1.00 1.00 S ATOM 0 H CYS A 29 -15.358 -5.888 15.025 1.00 1.00 H new ATOM 0 HA CYS A 29 -14.728 -6.008 12.180 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -15.825 -4.080 13.489 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -14.197 -3.710 14.023 1.00 1.00 H new ATOM 425 N PHE A 30 -12.519 -6.136 14.575 1.00 1.00 N ATOM 426 CA PHE A 30 -11.119 -6.377 14.883 1.00 1.00 C ATOM 427 C PHE A 30 -10.780 -7.865 14.766 1.00 1.00 C ATOM 428 O PHE A 30 -9.610 -8.242 14.796 1.00 1.00 O ATOM 429 CB PHE A 30 -10.895 -5.926 16.327 1.00 1.00 C ATOM 430 CG PHE A 30 -10.445 -4.471 16.462 1.00 1.00 C ATOM 431 CD1 PHE A 30 -9.362 -4.027 15.769 1.00 1.00 C ATOM 432 CD2 PHE A 30 -11.127 -3.620 17.275 1.00 1.00 C ATOM 433 CE1 PHE A 30 -8.944 -2.676 15.894 1.00 1.00 C ATOM 434 CE2 PHE A 30 -10.709 -2.268 17.400 1.00 1.00 C ATOM 435 CZ PHE A 30 -9.626 -1.825 16.707 1.00 1.00 C ATOM 0 H PHE A 30 -13.144 -6.167 15.380 1.00 1.00 H new ATOM 0 HA PHE A 30 -10.485 -5.832 14.184 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -11.820 -6.063 16.887 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -10.146 -6.571 16.786 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -8.820 -4.702 15.124 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -11.987 -3.972 17.826 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -8.084 -2.324 15.343 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -11.251 -1.592 18.045 1.00 1.00 H new ATOM 0 HZ PHE A 30 -9.307 -0.797 16.802 1.00 1.00 H new ATOM 445 N THR A 31 -11.825 -8.668 14.638 1.00 1.00 N ATOM 446 CA THR A 31 -11.653 -10.106 14.516 1.00 1.00 C ATOM 447 C THR A 31 -11.862 -10.549 13.067 1.00 1.00 C ATOM 448 O THR A 31 -11.618 -11.705 12.726 1.00 1.00 O ATOM 449 CB THR A 31 -12.609 -10.782 15.501 1.00 1.00 C ATOM 450 OG1 THR A 31 -12.483 -10.010 16.693 1.00 1.00 O ATOM 451 CG2 THR A 31 -12.139 -12.178 15.911 1.00 1.00 C ATOM 0 H THR A 31 -12.794 -8.351 14.616 1.00 1.00 H new ATOM 0 HA THR A 31 -10.636 -10.404 14.770 1.00 1.00 H new ATOM 0 HB THR A 31 -13.601 -10.850 15.054 1.00 1.00 H new ATOM 0 HG1 THR A 31 -13.011 -9.189 16.608 1.00 1.00 H new ATOM 0 HG21 THR A 31 -12.854 -12.612 16.610 1.00 1.00 H new ATOM 0 HG22 THR A 31 -12.066 -12.812 15.027 1.00 1.00 H new ATOM 0 HG23 THR A 31 -11.162 -12.107 16.388 1.00 1.00 H new ATOM 459 N SER A 32 -12.312 -9.605 12.253 1.00 1.00 N ATOM 460 CA SER A 32 -12.557 -9.883 10.848 1.00 1.00 C ATOM 461 C SER A 32 -11.328 -9.507 10.018 1.00 1.00 C ATOM 462 O SER A 32 -11.414 -9.376 8.798 1.00 1.00 O ATOM 463 CB SER A 32 -13.789 -9.129 10.344 1.00 1.00 C ATOM 464 OG SER A 32 -13.837 -9.075 8.921 1.00 1.00 O ATOM 0 H SER A 32 -12.513 -8.647 12.540 1.00 1.00 H new ATOM 0 HA SER A 32 -12.748 -10.951 10.739 1.00 1.00 H new ATOM 0 HB2 SER A 32 -14.690 -9.615 10.719 1.00 1.00 H new ATOM 0 HB3 SER A 32 -13.783 -8.116 10.745 1.00 1.00 H new ATOM 0 HG SER A 32 -13.049 -9.525 8.550 1.00 1.00 H new ATOM 470 N GLY A 33 -10.212 -9.342 10.713 1.00 1.00 N ATOM 471 CA GLY A 33 -8.967 -8.983 10.055 1.00 1.00 C ATOM 472 C GLY A 33 -8.977 -7.515 9.628 1.00 1.00 C ATOM 473 O GLY A 33 -8.149 -7.093 8.822 1.00 1.00 O ATOM 0 H GLY A 33 -10.144 -9.450 11.725 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -8.130 -9.164 10.729 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -8.816 -9.618 9.182 1.00 1.00 H new ATOM 477 N CYS A 34 -9.922 -6.774 10.187 1.00 1.00 N ATOM 478 CA CYS A 34 -10.051 -5.361 9.874 1.00 1.00 C ATOM 479 C CYS A 34 -9.762 -4.559 11.145 1.00 1.00 C ATOM 480 O CYS A 34 -9.704 -5.121 12.238 1.00 1.00 O ATOM 481 CB CYS A 34 -11.428 -5.033 9.293 1.00 1.00 C ATOM 482 SG CYS A 34 -11.831 -5.905 7.736 1.00 1.00 S ATOM 0 H CYS A 34 -10.607 -7.126 10.856 1.00 1.00 H new ATOM 0 HA CYS A 34 -9.330 -5.090 9.102 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -12.188 -5.276 10.036 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -11.486 -3.959 9.117 1.00 1.00 H new ATOM 487 N CYS A 35 -9.587 -3.260 10.958 1.00 1.00 N ATOM 488 CA CYS A 35 -9.306 -2.374 12.076 1.00 1.00 C ATOM 489 C CYS A 35 -10.584 -1.605 12.414 1.00 1.00 C ATOM 490 O CYS A 35 -11.521 -1.572 11.618 1.00 1.00 O ATOM 491 CB CYS A 35 -8.137 -1.435 11.773 1.00 1.00 C ATOM 492 SG CYS A 35 -6.495 -2.061 12.282 1.00 1.00 S ATOM 0 H CYS A 35 -9.634 -2.799 10.049 1.00 1.00 H new ATOM 0 HA CYS A 35 -8.999 -2.962 12.941 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -8.118 -1.236 10.701 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -8.317 -0.482 12.271 1.00 1.00 H new ATOM 497 N PHE A 36 -10.581 -1.005 13.595 1.00 1.00 N ATOM 498 CA PHE A 36 -11.729 -0.239 14.048 1.00 1.00 C ATOM 499 C PHE A 36 -11.297 0.901 14.973 1.00 1.00 C ATOM 500 O PHE A 36 -10.367 0.747 15.762 1.00 1.00 O ATOM 501 CB PHE A 36 -12.629 -1.198 14.829 1.00 1.00 C ATOM 502 CG PHE A 36 -13.776 -0.511 15.571 1.00 1.00 C ATOM 503 CD1 PHE A 36 -13.513 0.280 16.645 1.00 1.00 C ATOM 504 CD2 PHE A 36 -15.059 -0.692 15.159 1.00 1.00 C ATOM 505 CE1 PHE A 36 -14.577 0.918 17.335 1.00 1.00 C ATOM 506 CE2 PHE A 36 -16.124 -0.054 15.848 1.00 1.00 C ATOM 507 CZ PHE A 36 -15.861 0.737 16.922 1.00 1.00 C ATOM 0 H PHE A 36 -9.801 -1.034 14.252 1.00 1.00 H new ATOM 0 HA PHE A 36 -12.245 0.197 13.192 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.045 -1.932 14.139 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.021 -1.745 15.549 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -12.494 0.423 16.973 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -15.268 -1.322 14.307 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.368 1.547 18.188 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -17.143 -0.197 15.519 1.00 1.00 H new ATOM 0 HZ PHE A 36 -16.671 1.222 17.447 1.00 1.00 H new ATOM 517 N ASP A 37 -11.993 2.021 14.844 1.00 1.00 N ATOM 518 CA ASP A 37 -11.693 3.187 15.658 1.00 1.00 C ATOM 519 C ASP A 37 -12.975 3.675 16.334 1.00 1.00 C ATOM 520 O ASP A 37 -13.247 3.330 17.483 1.00 1.00 O ATOM 521 CB ASP A 37 -11.145 4.330 14.803 1.00 1.00 C ATOM 522 CG ASP A 37 -11.479 5.735 15.309 1.00 1.00 C ATOM 523 OD1 ASP A 37 -11.448 5.915 16.545 1.00 1.00 O ATOM 524 OD2 ASP A 37 -11.759 6.597 14.448 1.00 1.00 O ATOM 0 H ASP A 37 -12.764 2.146 14.188 1.00 1.00 H new ATOM 0 HA ASP A 37 -10.945 2.899 16.396 1.00 1.00 H new ATOM 0 HB2 ASP A 37 -10.061 4.230 14.742 1.00 1.00 H new ATOM 0 HB3 ASP A 37 -11.532 4.224 13.790 1.00 1.00 H new ATOM 529 N SER A 38 -13.732 4.472 15.592 1.00 1.00 N ATOM 530 CA SER A 38 -14.979 5.011 16.105 1.00 1.00 C ATOM 531 C SER A 38 -14.731 6.371 16.760 1.00 1.00 C ATOM 532 O SER A 38 -15.515 7.303 16.581 1.00 1.00 O ATOM 533 CB SER A 38 -15.625 4.050 17.106 1.00 1.00 C ATOM 534 OG SER A 38 -15.163 4.275 18.435 1.00 1.00 O ATOM 0 H SER A 38 -13.504 4.757 14.639 1.00 1.00 H new ATOM 0 HA SER A 38 -15.666 5.137 15.268 1.00 1.00 H new ATOM 0 HB2 SER A 38 -16.708 4.167 17.074 1.00 1.00 H new ATOM 0 HB3 SER A 38 -15.407 3.022 16.815 1.00 1.00 H new ATOM 0 HG SER A 38 -14.186 4.203 18.458 1.00 1.00 H new ATOM 540 N GLN A 39 -13.638 6.443 17.505 1.00 1.00 N ATOM 541 CA GLN A 39 -13.277 7.674 18.188 1.00 1.00 C ATOM 542 C GLN A 39 -13.402 8.865 17.235 1.00 1.00 C ATOM 543 O GLN A 39 -13.456 10.013 17.675 1.00 1.00 O ATOM 544 CB GLN A 39 -11.865 7.583 18.771 1.00 1.00 C ATOM 545 CG GLN A 39 -11.794 6.525 19.873 1.00 1.00 C ATOM 546 CD GLN A 39 -10.884 6.983 21.014 1.00 1.00 C ATOM 547 OE1 GLN A 39 -9.752 7.389 20.815 1.00 1.00 O ATOM 548 NE2 GLN A 39 -11.441 6.895 22.219 1.00 1.00 N ATOM 0 H GLN A 39 -12.990 5.669 17.651 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.968 7.824 19.018 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -11.156 7.337 17.980 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.571 8.552 19.173 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.795 6.328 20.258 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.421 5.588 19.459 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.394 6.546 22.316 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -10.915 7.177 23.046 1.00 1.00 H new ATOM 557 N VAL A 40 -13.442 8.551 15.949 1.00 1.00 N ATOM 558 CA VAL A 40 -13.560 9.581 14.931 1.00 1.00 C ATOM 559 C VAL A 40 -14.934 9.482 14.267 1.00 1.00 C ATOM 560 O VAL A 40 -15.115 8.727 13.314 1.00 1.00 O ATOM 561 CB VAL A 40 -12.405 9.465 13.933 1.00 1.00 C ATOM 562 CG1 VAL A 40 -12.543 10.498 12.813 1.00 1.00 C ATOM 563 CG2 VAL A 40 -11.054 9.600 14.641 1.00 1.00 C ATOM 0 H VAL A 40 -13.395 7.598 15.588 1.00 1.00 H new ATOM 0 HA VAL A 40 -13.487 10.571 15.380 1.00 1.00 H new ATOM 0 HB VAL A 40 -12.449 8.474 13.482 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -11.710 10.394 12.118 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -13.481 10.336 12.282 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -12.536 11.501 13.240 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -10.250 9.514 13.910 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -10.996 10.572 15.132 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -10.953 8.811 15.386 1.00 1.00 H new ATOM 573 N PRO A 41 -15.894 10.277 14.811 1.00 1.00 N ATOM 574 CA PRO A 41 -17.247 10.287 14.282 1.00 1.00 C ATOM 575 C PRO A 41 -17.313 11.053 12.959 1.00 1.00 C ATOM 576 O PRO A 41 -18.394 11.251 12.406 1.00 1.00 O ATOM 577 CB PRO A 41 -18.093 10.916 15.376 1.00 1.00 C ATOM 578 CG PRO A 41 -17.122 11.657 16.280 1.00 1.00 C ATOM 579 CD PRO A 41 -15.717 11.186 15.940 1.00 1.00 C ATOM 0 HA PRO A 41 -17.611 9.289 14.040 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -18.832 11.598 14.955 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -18.641 10.155 15.932 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -17.210 12.734 16.134 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -17.348 11.458 17.328 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -15.071 12.024 15.676 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -15.253 10.680 16.787 1.00 1.00 H new ATOM 587 N GLY A 42 -16.144 11.462 12.490 1.00 1.00 N ATOM 588 CA GLY A 42 -16.056 12.202 11.242 1.00 1.00 C ATOM 589 C GLY A 42 -15.475 11.329 10.128 1.00 1.00 C ATOM 590 O GLY A 42 -15.304 11.790 9.000 1.00 1.00 O ATOM 0 H GLY A 42 -15.250 11.295 12.951 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -17.046 12.555 10.954 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -15.431 13.084 11.381 1.00 1.00 H new ATOM 594 N VAL A 43 -15.190 10.085 10.482 1.00 1.00 N ATOM 595 CA VAL A 43 -14.632 9.144 9.525 1.00 1.00 C ATOM 596 C VAL A 43 -15.202 7.751 9.795 1.00 1.00 C ATOM 597 O VAL A 43 -15.990 7.567 10.723 1.00 1.00 O ATOM 598 CB VAL A 43 -13.104 9.186 9.580 1.00 1.00 C ATOM 599 CG1 VAL A 43 -12.602 10.614 9.804 1.00 1.00 C ATOM 600 CG2 VAL A 43 -12.568 8.242 10.657 1.00 1.00 C ATOM 0 H VAL A 43 -15.335 9.706 11.418 1.00 1.00 H new ATOM 0 HA VAL A 43 -14.915 9.419 8.509 1.00 1.00 H new ATOM 0 HB VAL A 43 -12.725 8.845 8.617 1.00 1.00 H new ATOM 0 HG11 VAL A 43 -11.513 10.615 9.839 1.00 1.00 H new ATOM 0 HG12 VAL A 43 -12.940 11.251 8.986 1.00 1.00 H new ATOM 0 HG13 VAL A 43 -12.996 10.994 10.746 1.00 1.00 H new ATOM 0 HG21 VAL A 43 -11.479 8.291 10.675 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -12.961 8.539 11.629 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -12.881 7.222 10.435 1.00 1.00 H new ATOM 610 N PRO A 44 -14.771 6.778 8.948 1.00 1.00 N ATOM 611 CA PRO A 44 -15.230 5.407 9.086 1.00 1.00 C ATOM 612 C PRO A 44 -14.552 4.720 10.274 1.00 1.00 C ATOM 613 O PRO A 44 -13.327 4.630 10.328 1.00 1.00 O ATOM 614 CB PRO A 44 -14.907 4.747 7.756 1.00 1.00 C ATOM 615 CG PRO A 44 -13.867 5.635 7.092 1.00 1.00 C ATOM 616 CD PRO A 44 -13.839 6.959 7.839 1.00 1.00 C ATOM 0 HA PRO A 44 -16.297 5.340 9.299 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -14.522 3.738 7.904 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -15.799 4.660 7.136 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -12.886 5.160 7.120 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -14.115 5.794 6.043 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -12.836 7.190 8.198 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -14.145 7.784 7.195 1.00 1.00 H new ATOM 624 N TRP A 45 -15.381 4.253 11.198 1.00 1.00 N ATOM 625 CA TRP A 45 -14.876 3.576 12.381 1.00 1.00 C ATOM 626 C TRP A 45 -14.215 2.272 11.934 1.00 1.00 C ATOM 627 O TRP A 45 -13.069 1.999 12.290 1.00 1.00 O ATOM 628 CB TRP A 45 -15.992 3.360 13.405 1.00 1.00 C ATOM 629 CG TRP A 45 -16.935 4.554 13.561 1.00 1.00 C ATOM 630 CD1 TRP A 45 -16.760 5.807 13.117 1.00 1.00 C ATOM 631 CD2 TRP A 45 -18.215 4.559 14.227 1.00 1.00 C ATOM 632 NE1 TRP A 45 -17.828 6.614 13.448 1.00 1.00 N ATOM 633 CE2 TRP A 45 -18.742 5.831 14.144 1.00 1.00 C ATOM 634 CE3 TRP A 45 -18.905 3.522 14.879 1.00 1.00 C ATOM 635 CZ2 TRP A 45 -19.981 6.185 14.691 1.00 1.00 C ATOM 636 CZ3 TRP A 45 -20.142 3.892 15.420 1.00 1.00 C ATOM 637 CH2 TRP A 45 -20.686 5.169 15.345 1.00 1.00 C ATOM 0 H TRP A 45 -16.397 4.330 11.151 1.00 1.00 H new ATOM 0 HA TRP A 45 -14.129 4.188 12.887 1.00 1.00 H new ATOM 0 HB2 TRP A 45 -16.575 2.486 13.113 1.00 1.00 H new ATOM 0 HB3 TRP A 45 -15.544 3.135 14.373 1.00 1.00 H new ATOM 0 HD1 TRP A 45 -15.892 6.142 12.569 1.00 1.00 H new ATOM 0 HE1 TRP A 45 -17.929 7.604 13.223 1.00 1.00 H new ATOM 0 HE3 TRP A 45 -18.512 2.519 14.956 1.00 1.00 H new ATOM 0 HZ2 TRP A 45 -20.372 7.189 14.612 1.00 1.00 H new ATOM 0 HZ3 TRP A 45 -20.714 3.132 15.932 1.00 1.00 H new ATOM 0 HH2 TRP A 45 -21.648 5.376 15.790 1.00 1.00 H new ATOM 648 N CYS A 46 -14.963 1.500 11.160 1.00 1.00 N ATOM 649 CA CYS A 46 -14.463 0.231 10.660 1.00 1.00 C ATOM 650 C CYS A 46 -13.722 0.489 9.346 1.00 1.00 C ATOM 651 O CYS A 46 -14.299 1.020 8.399 1.00 1.00 O ATOM 652 CB CYS A 46 -15.586 -0.793 10.490 1.00 1.00 C ATOM 653 SG CYS A 46 -15.975 -1.765 11.992 1.00 1.00 S ATOM 0 H CYS A 46 -15.913 1.729 10.867 1.00 1.00 H new ATOM 0 HA CYS A 46 -13.774 -0.201 11.385 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -16.488 -0.272 10.168 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -15.313 -1.481 9.690 1.00 1.00 H new ATOM 658 N PHE A 47 -12.455 0.102 9.332 1.00 1.00 N ATOM 659 CA PHE A 47 -11.630 0.285 8.150 1.00 1.00 C ATOM 660 C PHE A 47 -10.533 -0.778 8.078 1.00 1.00 C ATOM 661 O PHE A 47 -10.569 -1.764 8.811 1.00 1.00 O ATOM 662 CB PHE A 47 -10.981 1.665 8.268 1.00 1.00 C ATOM 663 CG PHE A 47 -10.639 2.072 9.703 1.00 1.00 C ATOM 664 CD1 PHE A 47 -10.180 1.141 10.583 1.00 1.00 C ATOM 665 CD2 PHE A 47 -10.794 3.363 10.099 1.00 1.00 C ATOM 666 CE1 PHE A 47 -9.864 1.518 11.915 1.00 1.00 C ATOM 667 CE2 PHE A 47 -10.478 3.741 11.432 1.00 1.00 C ATOM 668 CZ PHE A 47 -10.019 2.810 12.312 1.00 1.00 C ATOM 0 H PHE A 47 -11.980 -0.337 10.120 1.00 1.00 H new ATOM 0 HA PHE A 47 -12.241 0.199 7.252 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -10.069 1.679 7.670 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -11.653 2.409 7.841 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -10.056 0.115 10.268 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -11.158 4.102 9.400 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -9.500 0.779 12.613 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -10.602 4.767 11.746 1.00 1.00 H new ATOM 0 HZ PHE A 47 -9.778 3.097 13.325 1.00 1.00 H new ATOM 678 N LYS A 48 -9.582 -0.541 7.185 1.00 1.00 N ATOM 679 CA LYS A 48 -8.476 -1.466 7.007 1.00 1.00 C ATOM 680 C LYS A 48 -7.251 -0.942 7.760 1.00 1.00 C ATOM 681 O LYS A 48 -7.238 0.203 8.210 1.00 1.00 O ATOM 682 CB LYS A 48 -8.221 -1.716 5.520 1.00 1.00 C ATOM 683 CG LYS A 48 -8.990 -0.715 4.655 1.00 1.00 C ATOM 684 CD LYS A 48 -8.337 0.668 4.706 1.00 1.00 C ATOM 685 CE LYS A 48 -7.421 0.886 3.499 1.00 1.00 C ATOM 686 NZ LYS A 48 -6.879 2.263 3.502 1.00 1.00 N ATOM 0 H LYS A 48 -9.555 0.278 6.578 1.00 1.00 H new ATOM 0 HA LYS A 48 -8.721 -2.439 7.434 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -7.154 -1.637 5.312 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -8.522 -2.731 5.262 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -9.022 -1.068 3.624 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -10.022 -0.647 5.001 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -9.108 1.438 4.726 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -7.762 0.769 5.627 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -6.602 0.167 3.522 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -7.976 0.709 2.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -6.260 2.394 2.677 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -7.663 2.945 3.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -6.333 2.419 4.373 1.00 1.00 H new ATOM 700 N PRO A 49 -6.226 -1.827 7.877 1.00 1.00 N ATOM 701 CA PRO A 49 -5.000 -1.465 8.568 1.00 1.00 C ATOM 702 C PRO A 49 -4.143 -0.532 7.711 1.00 1.00 C ATOM 703 O PRO A 49 -4.246 -0.539 6.485 1.00 1.00 O ATOM 704 CB PRO A 49 -4.316 -2.787 8.873 1.00 1.00 C ATOM 705 CG PRO A 49 -4.945 -3.809 7.939 1.00 1.00 C ATOM 706 CD PRO A 49 -6.206 -3.191 7.356 1.00 1.00 C ATOM 0 HA PRO A 49 -5.183 -0.906 9.485 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -3.241 -2.717 8.708 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -4.461 -3.070 9.916 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -4.250 -4.079 7.144 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -5.183 -4.725 8.480 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -6.183 -3.198 6.266 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -7.095 -3.744 7.660 1.00 1.00 H new ATOM 714 N LEU A 50 -3.315 0.250 8.390 1.00 1.00 N ATOM 715 CA LEU A 50 -2.441 1.187 7.706 1.00 1.00 C ATOM 716 C LEU A 50 -1.205 0.444 7.194 1.00 1.00 C ATOM 717 O LEU A 50 -0.751 0.684 6.077 1.00 1.00 O ATOM 718 CB LEU A 50 -2.113 2.373 8.614 1.00 1.00 C ATOM 719 CG LEU A 50 -0.637 2.551 8.978 1.00 1.00 C ATOM 720 CD1 LEU A 50 0.138 3.199 7.829 1.00 1.00 C ATOM 721 CD2 LEU A 50 -0.485 3.332 10.285 1.00 1.00 C ATOM 0 H LEU A 50 -3.232 0.253 9.407 1.00 1.00 H new ATOM 0 HA LEU A 50 -2.942 1.610 6.836 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -2.459 3.285 8.127 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.684 2.268 9.536 1.00 1.00 H new ATOM 0 HG LEU A 50 -0.204 1.564 9.141 1.00 1.00 H new ATOM 0 HD11 LEU A 50 1.184 3.314 8.115 1.00 1.00 H new ATOM 0 HD12 LEU A 50 0.071 2.567 6.943 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -0.288 4.178 7.610 1.00 1.00 H new ATOM 0 HD21 LEU A 50 0.573 3.444 10.521 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -0.939 4.317 10.175 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -0.981 2.792 11.091 1.00 1.00 H new ATOM 733 N PRO A 51 -0.683 -0.467 8.058 1.00 1.00 N ATOM 734 CA PRO A 51 0.491 -1.247 7.705 1.00 1.00 C ATOM 735 C PRO A 51 0.137 -2.348 6.704 1.00 1.00 C ATOM 736 O PRO A 51 -0.922 -2.308 6.079 1.00 1.00 O ATOM 737 CB PRO A 51 1.015 -1.789 9.025 1.00 1.00 C ATOM 738 CG PRO A 51 -0.139 -1.682 10.007 1.00 1.00 C ATOM 739 CD PRO A 51 -1.194 -0.778 9.390 1.00 1.00 C ATOM 0 HA PRO A 51 1.255 -0.654 7.203 1.00 1.00 H new ATOM 0 HB2 PRO A 51 1.344 -2.823 8.920 1.00 1.00 H new ATOM 0 HB3 PRO A 51 1.875 -1.215 9.369 1.00 1.00 H new ATOM 0 HG2 PRO A 51 -0.555 -2.668 10.215 1.00 1.00 H new ATOM 0 HG3 PRO A 51 0.205 -1.274 10.957 1.00 1.00 H new ATOM 0 HD2 PRO A 51 -2.161 -1.278 9.336 1.00 1.00 H new ATOM 0 HD3 PRO A 51 -1.335 0.127 9.981 1.00 1.00 H new ATOM 747 N ALA A 52 1.044 -3.306 6.582 1.00 1.00 N ATOM 748 CA ALA A 52 0.841 -4.416 5.667 1.00 1.00 C ATOM 749 C ALA A 52 1.434 -5.689 6.275 1.00 1.00 C ATOM 750 O ALA A 52 2.453 -5.634 6.963 1.00 1.00 O ATOM 751 CB ALA A 52 1.456 -4.079 4.307 1.00 1.00 C ATOM 0 H ALA A 52 1.921 -3.336 7.102 1.00 1.00 H new ATOM 0 HA ALA A 52 -0.223 -4.591 5.509 1.00 1.00 H new ATOM 0 HB1 ALA A 52 1.303 -4.913 3.622 1.00 1.00 H new ATOM 0 HB2 ALA A 52 0.980 -3.186 3.904 1.00 1.00 H new ATOM 0 HB3 ALA A 52 2.524 -3.898 4.426 1.00 1.00 H new ATOM 757 N GLN A 53 0.773 -6.803 6.001 1.00 1.00 N ATOM 758 CA GLN A 53 1.222 -8.086 6.513 1.00 1.00 C ATOM 759 C GLN A 53 1.069 -8.134 8.035 1.00 1.00 C ATOM 760 O GLN A 53 0.834 -7.107 8.670 1.00 1.00 O ATOM 761 CB GLN A 53 2.668 -8.366 6.099 1.00 1.00 C ATOM 762 CG GLN A 53 2.741 -8.829 4.642 1.00 1.00 C ATOM 763 CD GLN A 53 1.902 -10.089 4.425 1.00 1.00 C ATOM 764 OE1 GLN A 53 0.969 -10.119 3.639 1.00 1.00 O ATOM 765 NE2 GLN A 53 2.283 -11.127 5.165 1.00 1.00 N ATOM 0 H GLN A 53 -0.071 -6.844 5.430 1.00 1.00 H new ATOM 0 HA GLN A 53 0.597 -8.866 6.080 1.00 1.00 H new ATOM 0 HB2 GLN A 53 3.268 -7.465 6.229 1.00 1.00 H new ATOM 0 HB3 GLN A 53 3.095 -9.130 6.749 1.00 1.00 H new ATOM 0 HG2 GLN A 53 2.386 -8.034 3.986 1.00 1.00 H new ATOM 0 HG3 GLN A 53 3.778 -9.027 4.371 1.00 1.00 H new ATOM 0 HE21 GLN A 53 3.073 -11.035 5.804 1.00 1.00 H new ATOM 0 HE22 GLN A 53 1.785 -12.014 5.093 1.00 1.00 H new ATOM 774 N GLU A 54 1.210 -9.335 8.575 1.00 1.00 N ATOM 775 CA GLU A 54 1.091 -9.530 10.010 1.00 1.00 C ATOM 776 C GLU A 54 2.276 -8.886 10.733 1.00 1.00 C ATOM 777 O GLU A 54 3.022 -9.565 11.436 1.00 1.00 O ATOM 778 CB GLU A 54 0.979 -11.016 10.354 1.00 1.00 C ATOM 779 CG GLU A 54 -0.076 -11.703 9.486 1.00 1.00 C ATOM 780 CD GLU A 54 -0.587 -12.982 10.153 1.00 1.00 C ATOM 781 OE1 GLU A 54 0.262 -13.704 10.719 1.00 1.00 O ATOM 782 OE2 GLU A 54 -1.814 -13.208 10.080 1.00 1.00 O ATOM 0 H GLU A 54 1.406 -10.184 8.044 1.00 1.00 H new ATOM 0 HA GLU A 54 0.176 -9.043 10.349 1.00 1.00 H new ATOM 0 HB2 GLU A 54 1.945 -11.500 10.209 1.00 1.00 H new ATOM 0 HB3 GLU A 54 0.720 -11.130 11.406 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -0.909 -11.022 9.312 1.00 1.00 H new ATOM 0 HG3 GLU A 54 0.349 -11.942 8.511 1.00 1.00 H new ATOM 789 N SER A 55 2.410 -7.583 10.536 1.00 1.00 N ATOM 790 CA SER A 55 3.491 -6.839 11.160 1.00 1.00 C ATOM 791 C SER A 55 3.094 -6.432 12.581 1.00 1.00 C ATOM 792 O SER A 55 3.307 -7.185 13.530 1.00 1.00 O ATOM 793 CB SER A 55 3.859 -5.604 10.337 1.00 1.00 C ATOM 794 OG SER A 55 2.705 -4.936 9.832 1.00 1.00 O ATOM 0 H SER A 55 1.788 -7.023 9.953 1.00 1.00 H new ATOM 0 HA SER A 55 4.368 -7.485 11.205 1.00 1.00 H new ATOM 0 HB2 SER A 55 4.435 -4.915 10.955 1.00 1.00 H new ATOM 0 HB3 SER A 55 4.500 -5.900 9.506 1.00 1.00 H new ATOM 0 HG SER A 55 2.595 -5.147 8.881 1.00 1.00 H new ATOM 800 N GLU A 56 2.523 -5.240 12.681 1.00 1.00 N ATOM 801 CA GLU A 56 2.094 -4.723 13.969 1.00 1.00 C ATOM 802 C GLU A 56 3.303 -4.260 14.785 1.00 1.00 C ATOM 803 O GLU A 56 3.283 -4.310 16.014 1.00 1.00 O ATOM 804 CB GLU A 56 1.282 -5.768 14.737 1.00 1.00 C ATOM 805 CG GLU A 56 0.243 -6.430 13.830 1.00 1.00 C ATOM 806 CD GLU A 56 -0.196 -7.782 14.396 1.00 1.00 C ATOM 807 OE1 GLU A 56 0.584 -8.746 14.233 1.00 1.00 O ATOM 808 OE2 GLU A 56 -1.302 -7.822 14.978 1.00 1.00 O ATOM 0 H GLU A 56 2.348 -4.618 11.892 1.00 1.00 H new ATOM 0 HA GLU A 56 1.447 -3.863 13.796 1.00 1.00 H new ATOM 0 HB2 GLU A 56 1.951 -6.526 15.144 1.00 1.00 H new ATOM 0 HB3 GLU A 56 0.783 -5.296 15.583 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -0.623 -5.777 13.726 1.00 1.00 H new ATOM 0 HG3 GLU A 56 0.660 -6.567 12.833 1.00 1.00 H new ATOM 815 N GLU A 57 4.326 -3.819 14.068 1.00 1.00 N ATOM 816 CA GLU A 57 5.541 -3.346 14.711 1.00 1.00 C ATOM 817 C GLU A 57 6.279 -2.367 13.796 1.00 1.00 C ATOM 818 O GLU A 57 6.818 -1.364 14.260 1.00 1.00 O ATOM 819 CB GLU A 57 6.445 -4.518 15.102 1.00 1.00 C ATOM 820 CG GLU A 57 5.621 -5.779 15.372 1.00 1.00 C ATOM 821 CD GLU A 57 6.530 -6.990 15.592 1.00 1.00 C ATOM 822 OE1 GLU A 57 6.936 -7.191 16.758 1.00 1.00 O ATOM 823 OE2 GLU A 57 6.798 -7.687 14.590 1.00 1.00 O ATOM 0 H GLU A 57 4.339 -3.779 13.049 1.00 1.00 H new ATOM 0 HA GLU A 57 5.265 -2.821 15.625 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.162 -4.711 14.304 1.00 1.00 H new ATOM 0 HB3 GLU A 57 7.020 -4.258 15.991 1.00 1.00 H new ATOM 0 HG2 GLU A 57 4.993 -5.627 16.250 1.00 1.00 H new ATOM 0 HG3 GLU A 57 4.953 -5.969 14.532 1.00 1.00 H new ATOM 830 N CYS A 58 6.279 -2.692 12.511 1.00 1.00 N ATOM 831 CA CYS A 58 6.941 -1.853 11.527 1.00 1.00 C ATOM 832 C CYS A 58 5.977 -0.738 11.120 1.00 1.00 C ATOM 833 O CYS A 58 6.246 0.007 10.179 1.00 1.00 O ATOM 834 CB CYS A 58 7.418 -2.665 10.320 1.00 1.00 C ATOM 835 SG CYS A 58 8.713 -3.903 10.691 1.00 1.00 S ATOM 0 H CYS A 58 5.831 -3.525 12.129 1.00 1.00 H new ATOM 0 HA CYS A 58 7.838 -1.414 11.964 1.00 1.00 H new ATOM 0 HB2 CYS A 58 6.561 -3.177 9.882 1.00 1.00 H new ATOM 0 HB3 CYS A 58 7.798 -1.977 9.565 1.00 1.00 H new ATOM 840 N VAL A 59 4.873 -0.657 11.849 1.00 1.00 N ATOM 841 CA VAL A 59 3.868 0.356 11.575 1.00 1.00 C ATOM 842 C VAL A 59 4.355 1.707 12.101 1.00 1.00 C ATOM 843 O VAL A 59 4.574 1.869 13.301 1.00 1.00 O ATOM 844 CB VAL A 59 2.524 -0.068 12.170 1.00 1.00 C ATOM 845 CG1 VAL A 59 1.363 0.609 11.438 1.00 1.00 C ATOM 846 CG2 VAL A 59 2.372 -1.590 12.151 1.00 1.00 C ATOM 0 H VAL A 59 4.653 -1.276 12.629 1.00 1.00 H new ATOM 0 HA VAL A 59 3.715 0.462 10.501 1.00 1.00 H new ATOM 0 HB VAL A 59 2.500 0.258 13.210 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.419 0.291 11.880 1.00 1.00 H new ATOM 0 HG12 VAL A 59 1.459 1.691 11.527 1.00 1.00 H new ATOM 0 HG13 VAL A 59 1.383 0.328 10.385 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.408 -1.865 12.579 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.428 -1.948 11.123 1.00 1.00 H new ATOM 0 HG23 VAL A 59 3.172 -2.043 12.737 1.00 1.00 H new ATOM 856 N MET A 60 4.512 2.644 11.177 1.00 1.00 N ATOM 857 CA MET A 60 4.969 3.977 11.533 1.00 1.00 C ATOM 858 C MET A 60 4.645 4.982 10.424 1.00 1.00 C ATOM 859 O MET A 60 4.846 4.696 9.245 1.00 1.00 O ATOM 860 CB MET A 60 6.480 3.950 11.774 1.00 1.00 C ATOM 861 CG MET A 60 6.795 3.665 13.243 1.00 1.00 C ATOM 862 SD MET A 60 7.279 1.958 13.442 1.00 1.00 S ATOM 863 CE MET A 60 8.510 1.832 12.156 1.00 1.00 C ATOM 0 H MET A 60 4.331 2.507 10.183 1.00 1.00 H new ATOM 0 HA MET A 60 4.453 4.289 12.441 1.00 1.00 H new ATOM 0 HB2 MET A 60 6.939 3.187 11.145 1.00 1.00 H new ATOM 0 HB3 MET A 60 6.915 4.906 11.484 1.00 1.00 H new ATOM 0 HG2 MET A 60 7.595 4.321 13.586 1.00 1.00 H new ATOM 0 HG3 MET A 60 5.921 3.878 13.859 1.00 1.00 H new ATOM 0 HE1 MET A 60 9.169 0.989 12.364 1.00 1.00 H new ATOM 0 HE2 MET A 60 8.018 1.680 11.195 1.00 1.00 H new ATOM 0 HE3 MET A 60 9.096 2.750 12.122 1.00 1.00 H new ATOM 873 N GLN A 61 4.150 6.136 10.843 1.00 1.00 N ATOM 874 CA GLN A 61 3.796 7.184 9.901 1.00 1.00 C ATOM 875 C GLN A 61 5.048 7.949 9.464 1.00 1.00 C ATOM 876 O GLN A 61 6.103 7.825 10.083 1.00 1.00 O ATOM 877 CB GLN A 61 2.756 8.133 10.501 1.00 1.00 C ATOM 878 CG GLN A 61 1.385 7.459 10.589 1.00 1.00 C ATOM 879 CD GLN A 61 0.468 8.207 11.558 1.00 1.00 C ATOM 880 OE1 GLN A 61 0.103 7.714 12.613 1.00 1.00 O ATOM 881 NE2 GLN A 61 0.118 9.421 11.144 1.00 1.00 N ATOM 0 H GLN A 61 3.985 6.369 11.822 1.00 1.00 H new ATOM 0 HA GLN A 61 3.351 6.720 9.021 1.00 1.00 H new ATOM 0 HB2 GLN A 61 3.075 8.447 11.495 1.00 1.00 H new ATOM 0 HB3 GLN A 61 2.684 9.033 9.890 1.00 1.00 H new ATOM 0 HG2 GLN A 61 0.927 7.427 9.600 1.00 1.00 H new ATOM 0 HG3 GLN A 61 1.504 6.427 10.918 1.00 1.00 H new ATOM 0 HE21 GLN A 61 0.459 9.773 10.250 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -0.492 10.000 11.721 1.00 1.00 H new ATOM 890 N VAL A 62 4.889 8.722 8.399 1.00 1.00 N ATOM 891 CA VAL A 62 5.992 9.505 7.871 1.00 1.00 C ATOM 892 C VAL A 62 6.507 10.449 8.960 1.00 1.00 C ATOM 893 O VAL A 62 6.178 11.634 8.966 1.00 1.00 O ATOM 894 CB VAL A 62 5.553 10.239 6.603 1.00 1.00 C ATOM 895 CG1 VAL A 62 4.456 11.260 6.912 1.00 1.00 C ATOM 896 CG2 VAL A 62 6.745 10.907 5.915 1.00 1.00 C ATOM 0 H VAL A 62 4.012 8.822 7.888 1.00 1.00 H new ATOM 0 HA VAL A 62 6.819 8.856 7.584 1.00 1.00 H new ATOM 0 HB VAL A 62 5.140 9.501 5.915 1.00 1.00 H new ATOM 0 HG11 VAL A 62 4.162 11.768 5.993 1.00 1.00 H new ATOM 0 HG12 VAL A 62 3.592 10.749 7.336 1.00 1.00 H new ATOM 0 HG13 VAL A 62 4.831 11.992 7.627 1.00 1.00 H new ATOM 0 HG21 VAL A 62 6.405 11.422 5.016 1.00 1.00 H new ATOM 0 HG22 VAL A 62 7.201 11.627 6.595 1.00 1.00 H new ATOM 0 HG23 VAL A 62 7.480 10.149 5.643 1.00 1.00 H new ATOM 906 N SER A 63 7.309 9.888 9.854 1.00 1.00 N ATOM 907 CA SER A 63 7.873 10.665 10.944 1.00 1.00 C ATOM 908 C SER A 63 8.276 9.738 12.093 1.00 1.00 C ATOM 909 O SER A 63 9.159 10.071 12.883 1.00 1.00 O ATOM 910 CB SER A 63 6.883 11.721 11.438 1.00 1.00 C ATOM 911 OG SER A 63 7.058 12.969 10.772 1.00 1.00 O ATOM 0 H SER A 63 7.581 8.905 9.845 1.00 1.00 H new ATOM 0 HA SER A 63 8.758 11.181 10.573 1.00 1.00 H new ATOM 0 HB2 SER A 63 5.865 11.365 11.280 1.00 1.00 H new ATOM 0 HB3 SER A 63 7.009 11.862 12.512 1.00 1.00 H new ATOM 0 HG SER A 63 7.011 12.832 9.803 1.00 1.00 H new ATOM 917 N ALA A 64 7.610 8.594 12.150 1.00 1.00 N ATOM 918 CA ALA A 64 7.888 7.617 13.188 1.00 1.00 C ATOM 919 C ALA A 64 9.059 6.734 12.752 1.00 1.00 C ATOM 920 O ALA A 64 9.670 6.055 13.577 1.00 1.00 O ATOM 921 CB ALA A 64 6.623 6.807 13.479 1.00 1.00 C ATOM 0 H ALA A 64 6.878 8.322 11.494 1.00 1.00 H new ATOM 0 HA ALA A 64 8.177 8.113 14.114 1.00 1.00 H new ATOM 0 HB1 ALA A 64 6.832 6.074 14.258 1.00 1.00 H new ATOM 0 HB2 ALA A 64 5.831 7.477 13.814 1.00 1.00 H new ATOM 0 HB3 ALA A 64 6.304 6.293 12.573 1.00 1.00 H new ATOM 927 N ARG A 65 9.338 6.773 11.458 1.00 1.00 N ATOM 928 CA ARG A 65 10.424 5.985 10.902 1.00 1.00 C ATOM 929 C ARG A 65 11.747 6.354 11.578 1.00 1.00 C ATOM 930 O ARG A 65 11.755 6.863 12.697 1.00 1.00 O ATOM 931 CB ARG A 65 10.550 6.207 9.394 1.00 1.00 C ATOM 932 CG ARG A 65 9.195 6.051 8.701 1.00 1.00 C ATOM 933 CD ARG A 65 8.577 4.685 9.009 1.00 1.00 C ATOM 934 NE ARG A 65 8.102 4.051 7.760 1.00 1.00 N ATOM 935 CZ ARG A 65 7.167 4.579 6.958 1.00 1.00 C ATOM 936 NH1 ARG A 65 6.602 5.752 7.270 1.00 1.00 N ATOM 937 NH2 ARG A 65 6.798 3.932 5.843 1.00 1.00 N ATOM 0 H ARG A 65 8.830 7.339 10.778 1.00 1.00 H new ATOM 0 HA ARG A 65 10.199 4.934 11.085 1.00 1.00 H new ATOM 0 HB2 ARG A 65 10.948 7.203 9.202 1.00 1.00 H new ATOM 0 HB3 ARG A 65 11.260 5.494 8.976 1.00 1.00 H new ATOM 0 HG2 ARG A 65 8.521 6.842 9.030 1.00 1.00 H new ATOM 0 HG3 ARG A 65 9.318 6.164 7.624 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.314 4.045 9.494 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.747 4.801 9.706 1.00 1.00 H new ATOM 0 HE ARG A 65 8.512 3.156 7.492 1.00 1.00 H new ATOM 0 HH11 ARG A 65 6.883 6.244 8.118 1.00 1.00 H new ATOM 0 HH12 ARG A 65 5.890 6.154 6.660 1.00 1.00 H new ATOM 0 HH21 ARG A 65 7.229 3.038 5.606 1.00 1.00 H new ATOM 0 HH22 ARG A 65 6.086 4.333 5.232 1.00 1.00 H new ATOM 951 N LYS A 66 12.833 6.084 10.868 1.00 1.00 N ATOM 952 CA LYS A 66 14.158 6.381 11.385 1.00 1.00 C ATOM 953 C LYS A 66 15.184 6.235 10.260 1.00 1.00 C ATOM 954 O LYS A 66 16.332 5.866 10.505 1.00 1.00 O ATOM 955 CB LYS A 66 14.462 5.517 12.610 1.00 1.00 C ATOM 956 CG LYS A 66 15.721 6.006 13.328 1.00 1.00 C ATOM 957 CD LYS A 66 15.376 7.045 14.397 1.00 1.00 C ATOM 958 CE LYS A 66 14.634 6.399 15.569 1.00 1.00 C ATOM 959 NZ LYS A 66 13.313 7.036 15.761 1.00 1.00 N ATOM 0 H LYS A 66 12.822 5.663 9.939 1.00 1.00 H new ATOM 0 HA LYS A 66 14.209 7.413 11.732 1.00 1.00 H new ATOM 0 HB2 LYS A 66 13.615 5.542 13.296 1.00 1.00 H new ATOM 0 HB3 LYS A 66 14.594 4.479 12.304 1.00 1.00 H new ATOM 0 HG2 LYS A 66 16.232 5.161 13.789 1.00 1.00 H new ATOM 0 HG3 LYS A 66 16.411 6.439 12.604 1.00 1.00 H new ATOM 0 HD2 LYS A 66 16.289 7.519 14.757 1.00 1.00 H new ATOM 0 HD3 LYS A 66 14.760 7.831 13.960 1.00 1.00 H new ATOM 0 HE2 LYS A 66 14.506 5.333 15.383 1.00 1.00 H new ATOM 0 HE3 LYS A 66 15.226 6.495 16.479 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 12.823 6.585 16.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 13.442 8.049 15.960 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 12.744 6.922 14.898 1.00 1.00 H new ATOM 973 N ASN A 67 14.734 6.532 9.049 1.00 1.00 N ATOM 974 CA ASN A 67 15.599 6.437 7.885 1.00 1.00 C ATOM 975 C ASN A 67 16.614 5.312 8.099 1.00 1.00 C ATOM 976 O ASN A 67 17.668 5.528 8.694 1.00 1.00 O ATOM 977 CB ASN A 67 16.375 7.738 7.669 1.00 1.00 C ATOM 978 CG ASN A 67 15.494 8.796 7.001 1.00 1.00 C ATOM 979 OD1 ASN A 67 15.371 8.864 5.789 1.00 1.00 O ATOM 980 ND2 ASN A 67 14.891 9.616 7.857 1.00 1.00 N ATOM 0 H ASN A 67 13.782 6.838 8.849 1.00 1.00 H new ATOM 0 HA ASN A 67 14.973 6.241 7.015 1.00 1.00 H new ATOM 0 HB2 ASN A 67 16.738 8.113 8.626 1.00 1.00 H new ATOM 0 HB3 ASN A 67 17.251 7.545 7.050 1.00 1.00 H new ATOM 0 HD21 ASN A 67 14.282 10.357 7.510 1.00 1.00 H new ATOM 0 HD22 ASN A 67 15.037 9.504 8.860 1.00 1.00 H new ATOM 987 N CYS A 68 16.258 4.135 7.603 1.00 1.00 N ATOM 988 CA CYS A 68 17.125 2.977 7.732 1.00 1.00 C ATOM 989 C CYS A 68 17.469 2.475 6.328 1.00 1.00 C ATOM 990 O CYS A 68 17.302 3.200 5.349 1.00 1.00 O ATOM 991 CB CYS A 68 16.482 1.883 8.587 1.00 1.00 C ATOM 992 SG CYS A 68 17.665 0.838 9.514 1.00 1.00 S ATOM 0 H CYS A 68 15.382 3.959 7.112 1.00 1.00 H new ATOM 0 HA CYS A 68 18.041 3.261 8.250 1.00 1.00 H new ATOM 0 HB2 CYS A 68 15.799 2.350 9.296 1.00 1.00 H new ATOM 0 HB3 CYS A 68 15.882 1.242 7.941 1.00 1.00 H new ATOM 997 N GLY A 69 17.943 1.240 6.276 1.00 1.00 N ATOM 998 CA GLY A 69 18.312 0.632 5.009 1.00 1.00 C ATOM 999 C GLY A 69 19.128 1.604 4.152 1.00 1.00 C ATOM 1000 O GLY A 69 19.505 2.679 4.616 1.00 1.00 O ATOM 0 H GLY A 69 18.080 0.643 7.091 1.00 1.00 H new ATOM 0 HA2 GLY A 69 18.892 -0.273 5.191 1.00 1.00 H new ATOM 0 HA3 GLY A 69 17.413 0.332 4.470 1.00 1.00 H new ATOM 1004 N TYR A 70 19.377 1.190 2.918 1.00 1.00 N ATOM 1005 CA TYR A 70 20.141 2.010 1.994 1.00 1.00 C ATOM 1006 C TYR A 70 19.391 2.192 0.673 1.00 1.00 C ATOM 1007 O TYR A 70 18.427 1.478 0.400 1.00 1.00 O ATOM 1008 CB TYR A 70 21.440 1.247 1.728 1.00 1.00 C ATOM 1009 CG TYR A 70 21.230 -0.153 1.147 1.00 1.00 C ATOM 1010 CD1 TYR A 70 21.164 -0.330 -0.221 1.00 1.00 C ATOM 1011 CD2 TYR A 70 21.109 -1.239 1.990 1.00 1.00 C ATOM 1012 CE1 TYR A 70 20.968 -1.648 -0.768 1.00 1.00 C ATOM 1013 CE2 TYR A 70 20.913 -2.557 1.443 1.00 1.00 C ATOM 1014 CZ TYR A 70 20.851 -2.696 0.091 1.00 1.00 C ATOM 1015 OH TYR A 70 20.666 -3.940 -0.425 1.00 1.00 O ATOM 0 H TYR A 70 19.063 0.297 2.537 1.00 1.00 H new ATOM 0 HA TYR A 70 20.316 3.000 2.415 1.00 1.00 H new ATOM 0 HB2 TYR A 70 22.056 1.826 1.040 1.00 1.00 H new ATOM 0 HB3 TYR A 70 21.998 1.163 2.661 1.00 1.00 H new ATOM 0 HD1 TYR A 70 21.259 0.520 -0.881 1.00 1.00 H new ATOM 0 HD2 TYR A 70 21.161 -1.101 3.060 1.00 1.00 H new ATOM 0 HE1 TYR A 70 20.915 -1.801 -1.836 1.00 1.00 H new ATOM 0 HE2 TYR A 70 20.817 -3.415 2.091 1.00 1.00 H new ATOM 0 HH TYR A 70 20.945 -4.611 0.232 1.00 1.00 H new ATOM 1025 N PRO A 71 19.873 3.177 -0.132 1.00 1.00 N ATOM 1026 CA PRO A 71 19.258 3.462 -1.417 1.00 1.00 C ATOM 1027 C PRO A 71 19.623 2.393 -2.449 1.00 1.00 C ATOM 1028 O PRO A 71 20.471 2.621 -3.310 1.00 1.00 O ATOM 1029 CB PRO A 71 19.757 4.846 -1.794 1.00 1.00 C ATOM 1030 CG PRO A 71 20.990 5.092 -0.938 1.00 1.00 C ATOM 1031 CD PRO A 71 21.012 4.043 0.161 1.00 1.00 C ATOM 0 HA PRO A 71 18.169 3.444 -1.375 1.00 1.00 H new ATOM 0 HB2 PRO A 71 20.001 4.897 -2.855 1.00 1.00 H new ATOM 0 HB3 PRO A 71 18.994 5.601 -1.606 1.00 1.00 H new ATOM 0 HG2 PRO A 71 21.894 5.029 -1.544 1.00 1.00 H new ATOM 0 HG3 PRO A 71 20.963 6.094 -0.509 1.00 1.00 H new ATOM 0 HD2 PRO A 71 21.947 3.483 0.156 1.00 1.00 H new ATOM 0 HD3 PRO A 71 20.919 4.500 1.146 1.00 1.00 H new ATOM 1039 N GLY A 72 18.968 1.249 -2.325 1.00 1.00 N ATOM 1040 CA GLY A 72 19.213 0.143 -3.236 1.00 1.00 C ATOM 1041 C GLY A 72 18.562 -1.143 -2.726 1.00 1.00 C ATOM 1042 O GLY A 72 18.188 -2.010 -3.516 1.00 1.00 O ATOM 0 H GLY A 72 18.267 1.063 -1.607 1.00 1.00 H new ATOM 0 HA2 GLY A 72 18.820 0.387 -4.223 1.00 1.00 H new ATOM 0 HA3 GLY A 72 20.286 -0.009 -3.349 1.00 1.00 H new ATOM 1046 N ILE A 73 18.445 -1.228 -1.409 1.00 1.00 N ATOM 1047 CA ILE A 73 17.845 -2.394 -0.784 1.00 1.00 C ATOM 1048 C ILE A 73 16.426 -2.583 -1.323 1.00 1.00 C ATOM 1049 O ILE A 73 15.865 -1.676 -1.937 1.00 1.00 O ATOM 1050 CB ILE A 73 17.914 -2.281 0.740 1.00 1.00 C ATOM 1051 CG1 ILE A 73 18.100 -3.656 1.384 1.00 1.00 C ATOM 1052 CG2 ILE A 73 16.689 -1.549 1.291 1.00 1.00 C ATOM 1053 CD1 ILE A 73 18.133 -3.547 2.910 1.00 1.00 C ATOM 0 H ILE A 73 18.756 -0.508 -0.757 1.00 1.00 H new ATOM 0 HA ILE A 73 18.406 -3.293 -1.039 1.00 1.00 H new ATOM 0 HB ILE A 73 18.788 -1.684 1.000 1.00 1.00 H new ATOM 0 HG12 ILE A 73 17.288 -4.317 1.081 1.00 1.00 H new ATOM 0 HG13 ILE A 73 19.027 -4.106 1.028 1.00 1.00 H new ATOM 0 HG21 ILE A 73 16.763 -1.482 2.376 1.00 1.00 H new ATOM 0 HG22 ILE A 73 16.644 -0.545 0.868 1.00 1.00 H new ATOM 0 HG23 ILE A 73 15.786 -2.097 1.022 1.00 1.00 H new ATOM 0 HD11 ILE A 73 18.266 -4.538 3.343 1.00 1.00 H new ATOM 0 HD12 ILE A 73 18.961 -2.905 3.211 1.00 1.00 H new ATOM 0 HD13 ILE A 73 17.195 -3.119 3.265 1.00 1.00 H new ATOM 1065 N SER A 74 15.885 -3.767 -1.074 1.00 1.00 N ATOM 1066 CA SER A 74 14.542 -4.086 -1.526 1.00 1.00 C ATOM 1067 C SER A 74 13.720 -4.653 -0.367 1.00 1.00 C ATOM 1068 O SER A 74 14.209 -4.747 0.757 1.00 1.00 O ATOM 1069 CB SER A 74 14.574 -5.078 -2.690 1.00 1.00 C ATOM 1070 OG SER A 74 13.839 -4.605 -3.816 1.00 1.00 O ATOM 0 H SER A 74 16.353 -4.517 -0.565 1.00 1.00 H new ATOM 0 HA SER A 74 14.073 -3.168 -1.880 1.00 1.00 H new ATOM 0 HB2 SER A 74 15.608 -5.260 -2.983 1.00 1.00 H new ATOM 0 HB3 SER A 74 14.162 -6.033 -2.364 1.00 1.00 H new ATOM 0 HG SER A 74 13.885 -5.266 -4.538 1.00 1.00 H new ATOM 1076 N PRO A 75 12.452 -5.024 -0.689 1.00 1.00 N ATOM 1077 CA PRO A 75 11.557 -5.580 0.312 1.00 1.00 C ATOM 1078 C PRO A 75 11.934 -7.025 0.643 1.00 1.00 C ATOM 1079 O PRO A 75 12.689 -7.657 -0.094 1.00 1.00 O ATOM 1080 CB PRO A 75 10.166 -5.450 -0.287 1.00 1.00 C ATOM 1081 CG PRO A 75 10.373 -5.258 -1.781 1.00 1.00 C ATOM 1082 CD PRO A 75 11.838 -4.926 -2.010 1.00 1.00 C ATOM 0 HA PRO A 75 11.615 -5.055 1.266 1.00 1.00 H new ATOM 0 HB2 PRO A 75 9.569 -6.340 -0.086 1.00 1.00 H new ATOM 0 HB3 PRO A 75 9.632 -4.604 0.145 1.00 1.00 H new ATOM 0 HG2 PRO A 75 10.097 -6.162 -2.324 1.00 1.00 H new ATOM 0 HG3 PRO A 75 9.737 -4.455 -2.154 1.00 1.00 H new ATOM 0 HD2 PRO A 75 12.297 -5.622 -2.712 1.00 1.00 H new ATOM 0 HD3 PRO A 75 11.957 -3.927 -2.429 1.00 1.00 H new ATOM 1090 N GLU A 76 11.390 -7.505 1.752 1.00 1.00 N ATOM 1091 CA GLU A 76 11.660 -8.865 2.189 1.00 1.00 C ATOM 1092 C GLU A 76 13.106 -8.990 2.671 1.00 1.00 C ATOM 1093 O GLU A 76 13.369 -9.600 3.706 1.00 1.00 O ATOM 1094 CB GLU A 76 11.365 -9.868 1.073 1.00 1.00 C ATOM 1095 CG GLU A 76 10.078 -10.644 1.359 1.00 1.00 C ATOM 1096 CD GLU A 76 9.746 -11.599 0.211 1.00 1.00 C ATOM 1097 OE1 GLU A 76 10.600 -12.469 -0.068 1.00 1.00 O ATOM 1098 OE2 GLU A 76 8.647 -11.439 -0.361 1.00 1.00 O ATOM 0 H GLU A 76 10.764 -6.977 2.361 1.00 1.00 H new ATOM 0 HA GLU A 76 10.998 -9.096 3.024 1.00 1.00 H new ATOM 0 HB2 GLU A 76 11.274 -9.343 0.122 1.00 1.00 H new ATOM 0 HB3 GLU A 76 12.199 -10.563 0.974 1.00 1.00 H new ATOM 0 HG2 GLU A 76 10.188 -11.208 2.285 1.00 1.00 H new ATOM 0 HG3 GLU A 76 9.254 -9.946 1.506 1.00 1.00 H new ATOM 1105 N ASP A 77 14.008 -8.402 1.897 1.00 1.00 N ATOM 1106 CA ASP A 77 15.421 -8.441 2.233 1.00 1.00 C ATOM 1107 C ASP A 77 15.696 -7.463 3.377 1.00 1.00 C ATOM 1108 O ASP A 77 16.204 -7.856 4.426 1.00 1.00 O ATOM 1109 CB ASP A 77 16.281 -8.025 1.038 1.00 1.00 C ATOM 1110 CG ASP A 77 16.178 -8.941 -0.183 1.00 1.00 C ATOM 1111 OD1 ASP A 77 15.081 -9.509 -0.376 1.00 1.00 O ATOM 1112 OD2 ASP A 77 17.198 -9.053 -0.898 1.00 1.00 O ATOM 0 H ASP A 77 13.787 -7.896 1.039 1.00 1.00 H new ATOM 0 HA ASP A 77 15.672 -9.462 2.521 1.00 1.00 H new ATOM 0 HB2 ASP A 77 15.999 -7.015 0.741 1.00 1.00 H new ATOM 0 HB3 ASP A 77 17.323 -7.984 1.356 1.00 1.00 H new ATOM 1117 N CYS A 78 15.349 -6.207 3.136 1.00 1.00 N ATOM 1118 CA CYS A 78 15.551 -5.170 4.132 1.00 1.00 C ATOM 1119 C CYS A 78 15.120 -5.720 5.493 1.00 1.00 C ATOM 1120 O CYS A 78 15.877 -5.659 6.460 1.00 1.00 O ATOM 1121 CB CYS A 78 14.803 -3.885 3.773 1.00 1.00 C ATOM 1122 SG CYS A 78 15.221 -2.437 4.810 1.00 1.00 S ATOM 0 H CYS A 78 14.929 -5.885 2.264 1.00 1.00 H new ATOM 0 HA CYS A 78 16.606 -4.899 4.168 1.00 1.00 H new ATOM 0 HB2 CYS A 78 15.010 -3.640 2.731 1.00 1.00 H new ATOM 0 HB3 CYS A 78 13.732 -4.072 3.850 1.00 1.00 H new ATOM 1127 N ALA A 79 13.903 -6.244 5.524 1.00 1.00 N ATOM 1128 CA ALA A 79 13.361 -6.805 6.751 1.00 1.00 C ATOM 1129 C ALA A 79 14.157 -8.055 7.130 1.00 1.00 C ATOM 1130 O ALA A 79 14.468 -8.265 8.301 1.00 1.00 O ATOM 1131 CB ALA A 79 11.870 -7.097 6.564 1.00 1.00 C ATOM 0 H ALA A 79 13.277 -6.292 4.720 1.00 1.00 H new ATOM 0 HA ALA A 79 13.453 -6.094 7.572 1.00 1.00 H new ATOM 0 HB1 ALA A 79 11.463 -7.518 7.484 1.00 1.00 H new ATOM 0 HB2 ALA A 79 11.345 -6.172 6.325 1.00 1.00 H new ATOM 0 HB3 ALA A 79 11.738 -7.810 5.750 1.00 1.00 H new ATOM 1137 N ALA A 80 14.463 -8.853 6.117 1.00 1.00 N ATOM 1138 CA ALA A 80 15.216 -10.077 6.330 1.00 1.00 C ATOM 1139 C ALA A 80 16.712 -9.778 6.204 1.00 1.00 C ATOM 1140 O ALA A 80 17.504 -10.673 5.914 1.00 1.00 O ATOM 1141 CB ALA A 80 14.749 -11.143 5.339 1.00 1.00 C ATOM 0 H ALA A 80 14.203 -8.675 5.147 1.00 1.00 H new ATOM 0 HA ALA A 80 15.041 -10.466 7.333 1.00 1.00 H new ATOM 0 HB1 ALA A 80 15.314 -12.061 5.499 1.00 1.00 H new ATOM 0 HB2 ALA A 80 13.687 -11.339 5.489 1.00 1.00 H new ATOM 0 HB3 ALA A 80 14.912 -10.790 4.321 1.00 1.00 H new ATOM 1147 N ARG A 81 17.052 -8.518 6.426 1.00 1.00 N ATOM 1148 CA ARG A 81 18.438 -8.090 6.340 1.00 1.00 C ATOM 1149 C ARG A 81 18.778 -7.154 7.502 1.00 1.00 C ATOM 1150 O ARG A 81 19.840 -7.275 8.110 1.00 1.00 O ATOM 1151 CB ARG A 81 18.712 -7.371 5.017 1.00 1.00 C ATOM 1152 CG ARG A 81 18.750 -8.362 3.852 1.00 1.00 C ATOM 1153 CD ARG A 81 20.110 -9.056 3.766 1.00 1.00 C ATOM 1154 NE ARG A 81 21.195 -8.050 3.811 1.00 1.00 N ATOM 1155 CZ ARG A 81 22.450 -8.315 4.199 1.00 1.00 C ATOM 1156 NH1 ARG A 81 22.786 -9.556 4.579 1.00 1.00 N ATOM 1157 NH2 ARG A 81 23.369 -7.340 4.209 1.00 1.00 N ATOM 0 H ARG A 81 16.392 -7.779 6.666 1.00 1.00 H new ATOM 0 HA ARG A 81 19.064 -8.981 6.392 1.00 1.00 H new ATOM 0 HB2 ARG A 81 17.939 -6.624 4.838 1.00 1.00 H new ATOM 0 HB3 ARG A 81 19.662 -6.839 5.078 1.00 1.00 H new ATOM 0 HG2 ARG A 81 17.965 -9.107 3.978 1.00 1.00 H new ATOM 0 HG3 ARG A 81 18.545 -7.839 2.918 1.00 1.00 H new ATOM 0 HD2 ARG A 81 20.221 -9.760 4.591 1.00 1.00 H new ATOM 0 HD3 ARG A 81 20.176 -9.633 2.843 1.00 1.00 H new ATOM 0 HE ARG A 81 20.973 -7.095 3.529 1.00 1.00 H new ATOM 0 HH11 ARG A 81 22.086 -10.298 4.573 1.00 1.00 H new ATOM 0 HH12 ARG A 81 23.741 -9.758 4.874 1.00 1.00 H new ATOM 0 HH21 ARG A 81 23.114 -6.395 3.921 1.00 1.00 H new ATOM 0 HH22 ARG A 81 24.324 -7.542 4.504 1.00 1.00 H new ATOM 1171 N ASN A 82 17.856 -6.242 7.773 1.00 1.00 N ATOM 1172 CA ASN A 82 18.045 -5.285 8.850 1.00 1.00 C ATOM 1173 C ASN A 82 17.252 -4.014 8.543 1.00 1.00 C ATOM 1174 O ASN A 82 17.549 -3.310 7.580 1.00 1.00 O ATOM 1175 CB ASN A 82 19.518 -4.900 8.993 1.00 1.00 C ATOM 1176 CG ASN A 82 20.181 -4.749 7.623 1.00 1.00 C ATOM 1177 OD1 ASN A 82 21.416 -5.241 7.562 1.00 1.00 O flip ATOM 1178 ND2 ASN A 82 19.610 -4.222 6.682 1.00 1.00 N flip ATOM 0 H ASN A 82 16.976 -6.145 7.266 1.00 1.00 H new ATOM 0 HA ASN A 82 17.702 -5.748 9.775 1.00 1.00 H new ATOM 0 HB2 ASN A 82 19.601 -3.964 9.546 1.00 1.00 H new ATOM 0 HB3 ASN A 82 20.042 -5.660 9.572 1.00 1.00 H new ATOM 0 HD21 ASN A 82 18.661 -3.865 6.796 1.00 1.00 H new ATOM 0 HD22 ASN A 82 20.081 -4.139 5.781 1.00 1.00 H new ATOM 1185 N CYS A 83 16.256 -3.759 9.379 1.00 1.00 N ATOM 1186 CA CYS A 83 15.417 -2.585 9.209 1.00 1.00 C ATOM 1187 C CYS A 83 14.109 -3.021 8.547 1.00 1.00 C ATOM 1188 O CYS A 83 14.102 -3.927 7.716 1.00 1.00 O ATOM 1189 CB CYS A 83 16.128 -1.494 8.406 1.00 1.00 C ATOM 1190 SG CYS A 83 17.776 -1.021 9.044 1.00 1.00 S ATOM 0 H CYS A 83 16.011 -4.346 10.177 1.00 1.00 H new ATOM 0 HA CYS A 83 15.201 -2.145 10.182 1.00 1.00 H new ATOM 0 HB2 CYS A 83 16.237 -1.833 7.376 1.00 1.00 H new ATOM 0 HB3 CYS A 83 15.494 -0.607 8.384 1.00 1.00 H new ATOM 1195 N CYS A 84 13.034 -2.355 8.940 1.00 1.00 N ATOM 1196 CA CYS A 84 11.722 -2.663 8.395 1.00 1.00 C ATOM 1197 C CYS A 84 11.659 -2.126 6.963 1.00 1.00 C ATOM 1198 O CYS A 84 12.537 -1.376 6.538 1.00 1.00 O ATOM 1199 CB CYS A 84 10.600 -2.096 9.267 1.00 1.00 C ATOM 1200 SG CYS A 84 10.468 -2.844 10.932 1.00 1.00 S ATOM 0 H CYS A 84 13.044 -1.603 9.629 1.00 1.00 H new ATOM 0 HA CYS A 84 11.574 -3.743 8.384 1.00 1.00 H new ATOM 0 HB2 CYS A 84 10.752 -1.022 9.378 1.00 1.00 H new ATOM 0 HB3 CYS A 84 9.652 -2.231 8.747 1.00 1.00 H new ATOM 1205 N PHE A 85 10.613 -2.532 6.258 1.00 1.00 N ATOM 1206 CA PHE A 85 10.424 -2.101 4.884 1.00 1.00 C ATOM 1207 C PHE A 85 8.941 -1.883 4.576 1.00 1.00 C ATOM 1208 O PHE A 85 8.177 -2.842 4.474 1.00 1.00 O ATOM 1209 CB PHE A 85 10.960 -3.220 3.988 1.00 1.00 C ATOM 1210 CG PHE A 85 11.052 -2.841 2.508 1.00 1.00 C ATOM 1211 CD1 PHE A 85 9.918 -2.692 1.772 1.00 1.00 C ATOM 1212 CD2 PHE A 85 12.268 -2.653 1.929 1.00 1.00 C ATOM 1213 CE1 PHE A 85 10.004 -2.341 0.399 1.00 1.00 C ATOM 1214 CE2 PHE A 85 12.354 -2.302 0.556 1.00 1.00 C ATOM 1215 CZ PHE A 85 11.221 -2.153 -0.180 1.00 1.00 C ATOM 0 H PHE A 85 9.888 -3.155 6.613 1.00 1.00 H new ATOM 0 HA PHE A 85 10.944 -1.158 4.714 1.00 1.00 H new ATOM 0 HB2 PHE A 85 11.950 -3.511 4.340 1.00 1.00 H new ATOM 0 HB3 PHE A 85 10.316 -4.093 4.090 1.00 1.00 H new ATOM 0 HD1 PHE A 85 8.952 -2.841 2.232 1.00 1.00 H new ATOM 0 HD2 PHE A 85 13.168 -2.771 2.514 1.00 1.00 H new ATOM 0 HE1 PHE A 85 9.104 -2.223 -0.186 1.00 1.00 H new ATOM 0 HE2 PHE A 85 13.320 -2.153 0.096 1.00 1.00 H new ATOM 0 HZ PHE A 85 11.287 -1.885 -1.224 1.00 1.00 H new ATOM 1225 N SER A 86 8.579 -0.616 4.438 1.00 1.00 N ATOM 1226 CA SER A 86 7.201 -0.260 4.144 1.00 1.00 C ATOM 1227 C SER A 86 7.160 0.840 3.082 1.00 1.00 C ATOM 1228 O SER A 86 7.120 2.025 3.412 1.00 1.00 O ATOM 1229 CB SER A 86 6.468 0.194 5.408 1.00 1.00 C ATOM 1230 OG SER A 86 5.101 0.503 5.151 1.00 1.00 O ATOM 0 H SER A 86 9.215 0.176 4.524 1.00 1.00 H new ATOM 0 HA SER A 86 6.693 -1.145 3.760 1.00 1.00 H new ATOM 0 HB2 SER A 86 6.527 -0.591 6.162 1.00 1.00 H new ATOM 0 HB3 SER A 86 6.966 1.071 5.821 1.00 1.00 H new ATOM 0 HG SER A 86 4.668 0.787 5.983 1.00 1.00 H new ATOM 1236 N ASP A 87 7.171 0.410 1.829 1.00 1.00 N ATOM 1237 CA ASP A 87 7.136 1.344 0.717 1.00 1.00 C ATOM 1238 C ASP A 87 5.708 1.862 0.537 1.00 1.00 C ATOM 1239 O ASP A 87 5.454 2.708 -0.320 1.00 1.00 O ATOM 1240 CB ASP A 87 7.559 0.665 -0.586 1.00 1.00 C ATOM 1241 CG ASP A 87 6.476 -0.185 -1.255 1.00 1.00 C ATOM 1242 OD1 ASP A 87 6.070 -1.185 -0.624 1.00 1.00 O ATOM 1243 OD2 ASP A 87 6.079 0.186 -2.381 1.00 1.00 O ATOM 0 H ASP A 87 7.204 -0.573 1.559 1.00 1.00 H new ATOM 0 HA ASP A 87 7.825 2.159 0.939 1.00 1.00 H new ATOM 0 HB2 ASP A 87 7.883 1.432 -1.289 1.00 1.00 H new ATOM 0 HB3 ASP A 87 8.423 0.032 -0.384 1.00 1.00 H new ATOM 1248 N THR A 88 4.813 1.335 1.360 1.00 1.00 N ATOM 1249 CA THR A 88 3.417 1.734 1.302 1.00 1.00 C ATOM 1250 C THR A 88 3.300 3.213 0.926 1.00 1.00 C ATOM 1251 O THR A 88 2.360 3.609 0.238 1.00 1.00 O ATOM 1252 CB THR A 88 2.773 1.397 2.648 1.00 1.00 C ATOM 1253 OG1 THR A 88 1.398 1.724 2.468 1.00 1.00 O ATOM 1254 CG2 THR A 88 3.234 2.332 3.769 1.00 1.00 C ATOM 0 H THR A 88 5.028 0.635 2.070 1.00 1.00 H new ATOM 0 HA THR A 88 2.882 1.190 0.524 1.00 1.00 H new ATOM 0 HB THR A 88 3.009 0.367 2.914 1.00 1.00 H new ATOM 0 HG1 THR A 88 0.906 1.534 3.294 1.00 1.00 H new ATOM 0 HG21 THR A 88 2.747 2.049 4.702 1.00 1.00 H new ATOM 0 HG22 THR A 88 4.315 2.255 3.886 1.00 1.00 H new ATOM 0 HG23 THR A 88 2.969 3.359 3.518 1.00 1.00 H new ATOM 1262 N ILE A 89 4.268 3.987 1.393 1.00 1.00 N ATOM 1263 CA ILE A 89 4.284 5.413 1.115 1.00 1.00 C ATOM 1264 C ILE A 89 5.587 5.773 0.397 1.00 1.00 C ATOM 1265 O ILE A 89 6.671 5.423 0.860 1.00 1.00 O ATOM 1266 CB ILE A 89 4.049 6.213 2.398 1.00 1.00 C ATOM 1267 CG1 ILE A 89 2.564 6.231 2.768 1.00 1.00 C ATOM 1268 CG2 ILE A 89 4.626 7.624 2.278 1.00 1.00 C ATOM 1269 CD1 ILE A 89 2.338 5.626 4.155 1.00 1.00 C ATOM 0 H ILE A 89 5.047 3.654 1.962 1.00 1.00 H new ATOM 0 HA ILE A 89 3.465 5.679 0.446 1.00 1.00 H new ATOM 0 HB ILE A 89 4.578 5.717 3.212 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.193 7.256 2.749 1.00 1.00 H new ATOM 0 HG13 ILE A 89 1.994 5.672 2.026 1.00 1.00 H new ATOM 0 HG21 ILE A 89 4.445 8.171 3.203 1.00 1.00 H new ATOM 0 HG22 ILE A 89 5.699 7.564 2.096 1.00 1.00 H new ATOM 0 HG23 ILE A 89 4.146 8.144 1.449 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.275 5.651 4.394 1.00 1.00 H new ATOM 0 HD12 ILE A 89 2.688 4.594 4.163 1.00 1.00 H new ATOM 0 HD13 ILE A 89 2.890 6.202 4.898 1.00 1.00 H new ATOM 1281 N PRO A 90 5.433 6.485 -0.751 1.00 1.00 N ATOM 1282 CA PRO A 90 6.583 6.896 -1.537 1.00 1.00 C ATOM 1283 C PRO A 90 7.315 8.062 -0.871 1.00 1.00 C ATOM 1284 O PRO A 90 6.724 8.803 -0.087 1.00 1.00 O ATOM 1285 CB PRO A 90 6.020 7.250 -2.904 1.00 1.00 C ATOM 1286 CG PRO A 90 4.531 7.471 -2.695 1.00 1.00 C ATOM 1287 CD PRO A 90 4.164 6.918 -1.329 1.00 1.00 C ATOM 0 HA PRO A 90 7.335 6.112 -1.622 1.00 1.00 H new ATOM 0 HB2 PRO A 90 6.496 8.146 -3.303 1.00 1.00 H new ATOM 0 HB3 PRO A 90 6.199 6.448 -3.620 1.00 1.00 H new ATOM 0 HG2 PRO A 90 4.291 8.533 -2.754 1.00 1.00 H new ATOM 0 HG3 PRO A 90 3.958 6.971 -3.476 1.00 1.00 H new ATOM 0 HD2 PRO A 90 3.686 7.677 -0.710 1.00 1.00 H new ATOM 0 HD3 PRO A 90 3.463 6.087 -1.413 1.00 1.00 H new ATOM 1295 N GLU A 91 8.591 8.189 -1.206 1.00 1.00 N ATOM 1296 CA GLU A 91 9.409 9.253 -0.650 1.00 1.00 C ATOM 1297 C GLU A 91 9.954 8.841 0.719 1.00 1.00 C ATOM 1298 O GLU A 91 11.139 8.536 0.853 1.00 1.00 O ATOM 1299 CB GLU A 91 8.619 10.559 -0.557 1.00 1.00 C ATOM 1300 CG GLU A 91 9.417 11.726 -1.144 1.00 1.00 C ATOM 1301 CD GLU A 91 9.440 12.915 -0.181 1.00 1.00 C ATOM 1302 OE1 GLU A 91 10.051 12.761 0.898 1.00 1.00 O ATOM 1303 OE2 GLU A 91 8.844 13.951 -0.547 1.00 1.00 O ATOM 0 H GLU A 91 9.078 7.572 -1.856 1.00 1.00 H new ATOM 0 HA GLU A 91 10.253 9.425 -1.318 1.00 1.00 H new ATOM 0 HB2 GLU A 91 7.674 10.455 -1.090 1.00 1.00 H new ATOM 0 HB3 GLU A 91 8.376 10.768 0.485 1.00 1.00 H new ATOM 0 HG2 GLU A 91 10.437 11.404 -1.354 1.00 1.00 H new ATOM 0 HG3 GLU A 91 8.977 12.031 -2.093 1.00 1.00 H new ATOM 1310 N VAL A 92 9.065 8.849 1.701 1.00 1.00 N ATOM 1311 CA VAL A 92 9.444 8.480 3.055 1.00 1.00 C ATOM 1312 C VAL A 92 10.420 7.304 3.005 1.00 1.00 C ATOM 1313 O VAL A 92 10.549 6.642 1.976 1.00 1.00 O ATOM 1314 CB VAL A 92 8.192 8.184 3.885 1.00 1.00 C ATOM 1315 CG1 VAL A 92 7.068 9.168 3.553 1.00 1.00 C ATOM 1316 CG2 VAL A 92 7.732 6.738 3.686 1.00 1.00 C ATOM 0 H VAL A 92 8.084 9.105 1.587 1.00 1.00 H new ATOM 0 HA VAL A 92 9.957 9.306 3.547 1.00 1.00 H new ATOM 0 HB VAL A 92 8.449 8.312 4.936 1.00 1.00 H new ATOM 0 HG11 VAL A 92 6.191 8.935 4.156 1.00 1.00 H new ATOM 0 HG12 VAL A 92 7.398 10.184 3.769 1.00 1.00 H new ATOM 0 HG13 VAL A 92 6.814 9.087 2.496 1.00 1.00 H new ATOM 0 HG21 VAL A 92 6.841 6.554 4.286 1.00 1.00 H new ATOM 0 HG22 VAL A 92 7.501 6.571 2.634 1.00 1.00 H new ATOM 0 HG23 VAL A 92 8.525 6.058 3.996 1.00 1.00 H new ATOM 1326 N PRO A 93 11.100 7.073 4.160 1.00 1.00 N ATOM 1327 CA PRO A 93 12.062 5.988 4.258 1.00 1.00 C ATOM 1328 C PRO A 93 11.354 4.636 4.363 1.00 1.00 C ATOM 1329 O PRO A 93 10.812 4.295 5.415 1.00 1.00 O ATOM 1330 CB PRO A 93 12.902 6.316 5.481 1.00 1.00 C ATOM 1331 CG PRO A 93 12.091 7.317 6.288 1.00 1.00 C ATOM 1332 CD PRO A 93 10.973 7.835 5.398 1.00 1.00 C ATOM 0 HA PRO A 93 12.691 5.902 3.372 1.00 1.00 H new ATOM 0 HB2 PRO A 93 13.108 5.419 6.065 1.00 1.00 H new ATOM 0 HB3 PRO A 93 13.865 6.736 5.192 1.00 1.00 H new ATOM 0 HG2 PRO A 93 11.681 6.845 7.181 1.00 1.00 H new ATOM 0 HG3 PRO A 93 12.724 8.139 6.624 1.00 1.00 H new ATOM 0 HD2 PRO A 93 9.997 7.682 5.859 1.00 1.00 H new ATOM 0 HD3 PRO A 93 11.075 8.905 5.216 1.00 1.00 H new ATOM 1340 N TRP A 94 11.381 3.901 3.262 1.00 1.00 N ATOM 1341 CA TRP A 94 10.749 2.594 3.217 1.00 1.00 C ATOM 1342 C TRP A 94 11.449 1.695 4.238 1.00 1.00 C ATOM 1343 O TRP A 94 10.795 0.948 4.964 1.00 1.00 O ATOM 1344 CB TRP A 94 10.773 2.020 1.799 1.00 1.00 C ATOM 1345 CG TRP A 94 9.999 2.856 0.776 1.00 1.00 C ATOM 1346 CD1 TRP A 94 9.293 3.975 0.989 1.00 1.00 C ATOM 1347 CD2 TRP A 94 9.882 2.592 -0.637 1.00 1.00 C ATOM 1348 NE1 TRP A 94 8.731 4.448 -0.178 1.00 1.00 N ATOM 1349 CE2 TRP A 94 9.101 3.581 -1.199 1.00 1.00 C ATOM 1350 CE3 TRP A 94 10.418 1.550 -1.416 1.00 1.00 C ATOM 1351 CZ2 TRP A 94 8.785 3.628 -2.562 1.00 1.00 C ATOM 1352 CZ3 TRP A 94 10.093 1.611 -2.777 1.00 1.00 C ATOM 1353 CH2 TRP A 94 9.307 2.600 -3.357 1.00 1.00 C ATOM 0 H TRP A 94 11.832 4.186 2.393 1.00 1.00 H new ATOM 0 HA TRP A 94 9.694 2.667 3.482 1.00 1.00 H new ATOM 0 HB2 TRP A 94 11.809 1.931 1.471 1.00 1.00 H new ATOM 0 HB3 TRP A 94 10.357 1.013 1.819 1.00 1.00 H new ATOM 0 HD1 TRP A 94 9.179 4.447 1.954 1.00 1.00 H new ATOM 0 HE1 TRP A 94 8.150 5.281 -0.274 1.00 1.00 H new ATOM 0 HE3 TRP A 94 11.031 0.766 -0.998 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 8.172 4.414 -2.978 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 10.480 0.835 -3.421 1.00 1.00 H new ATOM 0 HH2 TRP A 94 9.100 2.576 -4.417 1.00 1.00 H new ATOM 1364 N CYS A 95 12.770 1.797 4.260 1.00 1.00 N ATOM 1365 CA CYS A 95 13.566 1.002 5.179 1.00 1.00 C ATOM 1366 C CYS A 95 13.818 1.833 6.439 1.00 1.00 C ATOM 1367 O CYS A 95 14.641 2.746 6.431 1.00 1.00 O ATOM 1368 CB CYS A 95 14.873 0.533 4.535 1.00 1.00 C ATOM 1369 SG CYS A 95 14.702 -0.899 3.408 1.00 1.00 S ATOM 0 H CYS A 95 13.309 2.418 3.656 1.00 1.00 H new ATOM 0 HA CYS A 95 13.022 0.096 5.445 1.00 1.00 H new ATOM 0 HB2 CYS A 95 15.307 1.365 3.980 1.00 1.00 H new ATOM 0 HB3 CYS A 95 15.578 0.274 5.325 1.00 1.00 H new ATOM 1374 N PHE A 96 13.092 1.487 7.492 1.00 1.00 N ATOM 1375 CA PHE A 96 13.226 2.188 8.757 1.00 1.00 C ATOM 1376 C PHE A 96 13.590 1.222 9.885 1.00 1.00 C ATOM 1377 O PHE A 96 13.901 0.059 9.634 1.00 1.00 O ATOM 1378 CB PHE A 96 11.867 2.822 9.062 1.00 1.00 C ATOM 1379 CG PHE A 96 10.679 1.884 8.842 1.00 1.00 C ATOM 1380 CD1 PHE A 96 10.212 1.662 7.584 1.00 1.00 C ATOM 1381 CD2 PHE A 96 10.090 1.270 9.904 1.00 1.00 C ATOM 1382 CE1 PHE A 96 9.109 0.791 7.379 1.00 1.00 C ATOM 1383 CE2 PHE A 96 8.987 0.400 9.698 1.00 1.00 C ATOM 1384 CZ PHE A 96 8.521 0.179 8.441 1.00 1.00 C ATOM 0 H PHE A 96 12.409 0.730 7.495 1.00 1.00 H new ATOM 0 HA PHE A 96 14.017 2.934 8.687 1.00 1.00 H new ATOM 0 HB2 PHE A 96 11.861 3.163 10.097 1.00 1.00 H new ATOM 0 HB3 PHE A 96 11.741 3.705 8.435 1.00 1.00 H new ATOM 0 HD1 PHE A 96 10.680 2.148 6.741 1.00 1.00 H new ATOM 0 HD2 PHE A 96 10.461 1.444 10.903 1.00 1.00 H new ATOM 0 HE1 PHE A 96 8.738 0.615 6.380 1.00 1.00 H new ATOM 0 HE2 PHE A 96 8.518 -0.086 10.541 1.00 1.00 H new ATOM 0 HZ PHE A 96 7.682 -0.484 8.285 1.00 1.00 H new ATOM 1394 N PHE A 97 13.539 1.739 11.104 1.00 1.00 N ATOM 1395 CA PHE A 97 13.859 0.936 12.272 1.00 1.00 C ATOM 1396 C PHE A 97 12.589 0.495 13.000 1.00 1.00 C ATOM 1397 O PHE A 97 11.609 1.237 13.050 1.00 1.00 O ATOM 1398 CB PHE A 97 14.690 1.817 13.207 1.00 1.00 C ATOM 1399 CG PHE A 97 16.063 2.197 12.649 1.00 1.00 C ATOM 1400 CD1 PHE A 97 16.153 2.931 11.508 1.00 1.00 C ATOM 1401 CD2 PHE A 97 17.192 1.801 13.294 1.00 1.00 C ATOM 1402 CE1 PHE A 97 17.428 3.283 10.989 1.00 1.00 C ATOM 1403 CE2 PHE A 97 18.466 2.153 12.776 1.00 1.00 C ATOM 1404 CZ PHE A 97 18.557 2.887 11.635 1.00 1.00 C ATOM 0 H PHE A 97 13.281 2.704 11.308 1.00 1.00 H new ATOM 0 HA PHE A 97 14.401 0.040 11.970 1.00 1.00 H new ATOM 0 HB2 PHE A 97 14.132 2.728 13.422 1.00 1.00 H new ATOM 0 HB3 PHE A 97 14.826 1.296 14.155 1.00 1.00 H new ATOM 0 HD1 PHE A 97 15.256 3.246 10.996 1.00 1.00 H new ATOM 0 HD2 PHE A 97 17.120 1.219 14.201 1.00 1.00 H new ATOM 0 HE1 PHE A 97 17.500 3.865 10.082 1.00 1.00 H new ATOM 0 HE2 PHE A 97 19.363 1.838 13.288 1.00 1.00 H new ATOM 0 HZ PHE A 97 19.526 3.156 11.242 1.00 1.00 H new ATOM 1414 N PRO A 98 12.646 -0.742 13.561 1.00 1.00 N ATOM 1415 CA PRO A 98 11.512 -1.290 14.285 1.00 1.00 C ATOM 1416 C PRO A 98 11.370 -0.635 15.661 1.00 1.00 C ATOM 1417 O PRO A 98 12.240 -0.786 16.516 1.00 1.00 O ATOM 1418 CB PRO A 98 11.780 -2.785 14.363 1.00 1.00 C ATOM 1419 CG PRO A 98 13.266 -2.956 14.095 1.00 1.00 C ATOM 1420 CD PRO A 98 13.790 -1.649 13.523 1.00 1.00 C ATOM 0 HA PRO A 98 10.562 -1.094 13.788 1.00 1.00 H new ATOM 0 HB2 PRO A 98 11.512 -3.179 15.343 1.00 1.00 H new ATOM 0 HB3 PRO A 98 11.186 -3.327 13.628 1.00 1.00 H new ATOM 0 HG2 PRO A 98 13.793 -3.209 15.015 1.00 1.00 H new ATOM 0 HG3 PRO A 98 13.436 -3.774 13.395 1.00 1.00 H new ATOM 0 HD2 PRO A 98 14.621 -1.263 14.114 1.00 1.00 H new ATOM 0 HD3 PRO A 98 14.157 -1.781 12.505 1.00 1.00 H new ATOM 1428 N MET A 99 10.267 0.078 15.830 1.00 1.00 N ATOM 1429 CA MET A 99 9.999 0.757 17.086 1.00 1.00 C ATOM 1430 C MET A 99 8.608 0.402 17.616 1.00 1.00 C ATOM 1431 O MET A 99 7.636 1.101 17.335 1.00 1.00 O ATOM 1432 CB MET A 99 10.097 2.270 16.880 1.00 1.00 C ATOM 1433 CG MET A 99 10.612 2.962 18.143 1.00 1.00 C ATOM 1434 SD MET A 99 9.317 3.955 18.867 1.00 1.00 S ATOM 1435 CE MET A 99 10.076 4.359 20.432 1.00 1.00 C ATOM 0 H MET A 99 9.548 0.200 15.117 1.00 1.00 H new ATOM 0 HA MET A 99 10.739 0.433 17.818 1.00 1.00 H new ATOM 0 HB2 MET A 99 10.764 2.485 16.045 1.00 1.00 H new ATOM 0 HB3 MET A 99 9.118 2.669 16.616 1.00 1.00 H new ATOM 0 HG2 MET A 99 10.955 2.217 18.861 1.00 1.00 H new ATOM 0 HG3 MET A 99 11.470 3.589 17.900 1.00 1.00 H new ATOM 0 HE1 MET A 99 9.397 4.981 21.016 1.00 1.00 H new ATOM 0 HE2 MET A 99 10.290 3.442 20.980 1.00 1.00 H new ATOM 0 HE3 MET A 99 11.005 4.902 20.257 1.00 1.00 H new ATOM 1445 N SER A 100 8.558 -0.683 18.374 1.00 1.00 N ATOM 1446 CA SER A 100 7.303 -1.139 18.947 1.00 1.00 C ATOM 1447 C SER A 100 6.533 0.047 19.533 1.00 1.00 C ATOM 1448 O SER A 100 7.100 0.861 20.259 1.00 1.00 O ATOM 1449 CB SER A 100 7.540 -2.201 20.023 1.00 1.00 C ATOM 1450 OG SER A 100 8.688 -1.909 20.815 1.00 1.00 O ATOM 0 H SER A 100 9.367 -1.260 18.605 1.00 1.00 H new ATOM 0 HA SER A 100 6.711 -1.592 18.152 1.00 1.00 H new ATOM 0 HB2 SER A 100 6.663 -2.268 20.666 1.00 1.00 H new ATOM 0 HB3 SER A 100 7.664 -3.175 19.550 1.00 1.00 H new ATOM 0 HG SER A 100 8.805 -2.608 21.491 1.00 1.00 H new ATOM 1456 N VAL A 101 5.254 0.106 19.195 1.00 1.00 N ATOM 1457 CA VAL A 101 4.401 1.179 19.678 1.00 1.00 C ATOM 1458 C VAL A 101 3.465 0.633 20.757 1.00 1.00 C ATOM 1459 O VAL A 101 3.874 0.445 21.903 1.00 1.00 O ATOM 1460 CB VAL A 101 3.653 1.820 18.507 1.00 1.00 C ATOM 1461 CG1 VAL A 101 4.457 2.979 17.913 1.00 1.00 C ATOM 1462 CG2 VAL A 101 3.315 0.781 17.436 1.00 1.00 C ATOM 0 H VAL A 101 4.787 -0.572 18.592 1.00 1.00 H new ATOM 0 HA VAL A 101 5.000 1.967 20.135 1.00 1.00 H new ATOM 0 HB VAL A 101 2.715 2.223 18.889 1.00 1.00 H new ATOM 0 HG11 VAL A 101 3.904 3.418 17.083 1.00 1.00 H new ATOM 0 HG12 VAL A 101 4.623 3.737 18.679 1.00 1.00 H new ATOM 0 HG13 VAL A 101 5.418 2.609 17.554 1.00 1.00 H new ATOM 0 HG21 VAL A 101 2.784 1.264 16.616 1.00 1.00 H new ATOM 0 HG22 VAL A 101 4.235 0.334 17.059 1.00 1.00 H new ATOM 0 HG23 VAL A 101 2.685 0.004 17.869 1.00 1.00 H new ATOM 1472 N GLU A 102 2.225 0.392 20.355 1.00 1.00 N ATOM 1473 CA GLU A 102 1.228 -0.128 21.274 1.00 1.00 C ATOM 1474 C GLU A 102 0.494 1.020 21.968 1.00 1.00 C ATOM 1475 O GLU A 102 -0.720 0.962 22.157 1.00 1.00 O ATOM 1476 CB GLU A 102 1.864 -1.071 22.298 1.00 1.00 C ATOM 1477 CG GLU A 102 0.917 -2.220 22.648 1.00 1.00 C ATOM 1478 CD GLU A 102 1.037 -2.597 24.127 1.00 1.00 C ATOM 1479 OE1 GLU A 102 1.283 -1.673 24.930 1.00 1.00 O ATOM 1480 OE2 GLU A 102 0.878 -3.802 24.420 1.00 1.00 O ATOM 0 H GLU A 102 1.889 0.548 19.405 1.00 1.00 H new ATOM 0 HA GLU A 102 0.501 -0.704 20.701 1.00 1.00 H new ATOM 0 HB2 GLU A 102 2.796 -1.472 21.899 1.00 1.00 H new ATOM 0 HB3 GLU A 102 2.117 -0.516 23.201 1.00 1.00 H new ATOM 0 HG2 GLU A 102 -0.110 -1.931 22.425 1.00 1.00 H new ATOM 0 HG3 GLU A 102 1.146 -3.087 22.028 1.00 1.00 H new ATOM 1487 N ASP A 103 1.262 2.038 22.329 1.00 1.00 N ATOM 1488 CA ASP A 103 0.699 3.200 22.997 1.00 1.00 C ATOM 1489 C ASP A 103 -0.683 3.499 22.415 1.00 1.00 C ATOM 1490 O ASP A 103 -1.598 3.883 23.143 1.00 1.00 O ATOM 1491 CB ASP A 103 1.578 4.435 22.788 1.00 1.00 C ATOM 1492 CG ASP A 103 1.949 5.188 24.066 1.00 1.00 C ATOM 1493 OD1 ASP A 103 1.008 5.658 24.741 1.00 1.00 O ATOM 1494 OD2 ASP A 103 3.165 5.278 24.339 1.00 1.00 O ATOM 0 H ASP A 103 2.269 2.082 22.172 1.00 1.00 H new ATOM 0 HA ASP A 103 0.636 2.978 24.062 1.00 1.00 H new ATOM 0 HB2 ASP A 103 2.495 4.129 22.285 1.00 1.00 H new ATOM 0 HB3 ASP A 103 1.061 5.121 22.117 1.00 1.00 H new ATOM 1499 N CYS A 104 -0.793 3.312 21.107 1.00 1.00 N ATOM 1500 CA CYS A 104 -2.048 3.556 20.419 1.00 1.00 C ATOM 1501 C CYS A 104 -3.138 2.720 21.094 1.00 1.00 C ATOM 1502 O CYS A 104 -2.878 2.041 22.086 1.00 1.00 O ATOM 1503 CB CYS A 104 -1.942 3.255 18.923 1.00 1.00 C ATOM 1504 SG CYS A 104 -0.637 4.189 18.042 1.00 1.00 S ATOM 0 H CYS A 104 -0.032 2.994 20.506 1.00 1.00 H new ATOM 0 HA CYS A 104 -2.305 4.613 20.492 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -1.756 2.189 18.794 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -2.902 3.470 18.455 1.00 1.00 H new ATOM 1509 N HIS A 105 -4.333 2.797 20.528 1.00 1.00 N ATOM 1510 CA HIS A 105 -5.463 2.055 21.063 1.00 1.00 C ATOM 1511 C HIS A 105 -6.362 1.592 19.916 1.00 1.00 C ATOM 1512 O HIS A 105 -6.030 1.782 18.747 1.00 1.00 O ATOM 1513 CB HIS A 105 -6.213 2.885 22.107 1.00 1.00 C ATOM 1514 CG HIS A 105 -6.822 4.154 21.560 1.00 1.00 C ATOM 1515 ND1 HIS A 105 -6.693 5.379 22.191 1.00 1.00 N ATOM 1516 CD2 HIS A 105 -7.564 4.374 20.437 1.00 1.00 C ATOM 1517 CE1 HIS A 105 -7.333 6.289 21.471 1.00 1.00 C ATOM 1518 NE2 HIS A 105 -7.873 5.664 20.385 1.00 1.00 N ATOM 0 H HIS A 105 -4.544 3.361 19.705 1.00 1.00 H new ATOM 0 HA HIS A 105 -5.106 1.165 21.580 1.00 1.00 H new ATOM 0 HB2 HIS A 105 -7.003 2.274 22.543 1.00 1.00 H new ATOM 0 HB3 HIS A 105 -5.526 3.142 22.914 1.00 1.00 H new ATOM 0 HD2 HIS A 105 -7.851 3.626 19.713 1.00 1.00 H new ATOM 0 HE1 HIS A 105 -7.413 7.341 21.703 1.00 1.00 H new ATOM 0 HE2 HIS A 105 -8.423 6.114 19.654 1.00 1.00 H new ATOM 1526 N TYR A 106 -7.483 0.993 20.289 1.00 1.00 N ATOM 1527 CA TYR A 106 -8.434 0.501 19.306 1.00 1.00 C ATOM 1528 C TYR A 106 -9.580 1.495 19.106 1.00 1.00 C ATOM 1529 O TYR A 106 -10.456 1.616 19.961 1.00 1.00 O ATOM 1530 CB TYR A 106 -8.996 -0.801 19.878 1.00 1.00 C ATOM 1531 CG TYR A 106 -8.085 -2.014 19.681 1.00 1.00 C ATOM 1532 CD1 TYR A 106 -6.723 -1.889 19.864 1.00 1.00 C ATOM 1533 CD2 TYR A 106 -8.625 -3.231 19.320 1.00 1.00 C ATOM 1534 CE1 TYR A 106 -5.864 -3.031 19.678 1.00 1.00 C ATOM 1535 CE2 TYR A 106 -7.767 -4.372 19.134 1.00 1.00 C ATOM 1536 CZ TYR A 106 -6.428 -4.215 19.322 1.00 1.00 C ATOM 1537 OH TYR A 106 -5.618 -5.294 19.147 1.00 1.00 O ATOM 0 H TYR A 106 -7.755 0.837 21.260 1.00 1.00 H new ATOM 0 HA TYR A 106 -7.949 0.358 18.341 1.00 1.00 H new ATOM 0 HB2 TYR A 106 -9.180 -0.667 20.944 1.00 1.00 H new ATOM 0 HB3 TYR A 106 -9.960 -1.004 19.411 1.00 1.00 H new ATOM 0 HD1 TYR A 106 -6.301 -0.936 20.146 1.00 1.00 H new ATOM 0 HD2 TYR A 106 -9.691 -3.328 19.177 1.00 1.00 H new ATOM 0 HE1 TYR A 106 -4.796 -2.948 19.818 1.00 1.00 H new ATOM 0 HE2 TYR A 106 -8.176 -5.331 18.852 1.00 1.00 H new ATOM 0 HH TYR A 106 -4.859 -5.045 18.579 1.00 1.00 H new TER 1547 TYR A 106