USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 849 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 -107:sc= 0.836 USER MOD Set 1.2: A 53 ASN : amide:sc= -0.414 K(o=0.42,f=1.3) USER MOD Single : A 1 GLN : amide:sc= -0.959 X(o=-0.96,f=-0.77) USER MOD Single : A 1 GLN N :NH3+ 137:sc= 0.085 (180deg=-0.0814) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.853 K(o=0.85,f=-13!) USER MOD Single : A 22 TYR OH : rot 50:sc= -3.34! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 94:sc= 1.32 USER MOD Single : A 31 ASN : amide:sc= -2.16! K(o=-2.2!,f=-1.4) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0145) USER MOD Single : A 43 SER OG : rot 71:sc= 1.29 USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= 0.903 (180deg=0.0786) USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.1) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 78:sc= -0.15 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.0266 (180deg=-0.233) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -174:sc=-0.000567 (180deg=-0.0523) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -137:sc= -0.02 (180deg=-0.183) USER MOD Single : A 78 SER OG : rot 180:sc= -0.105 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 179:sc= -2.67! (180deg=-2.78!) USER MOD Single : A 84 MET CE :methyl 173:sc= -1.67! (180deg=-1.85!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0995) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= 1.18 (180deg=0.907) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -17:sc= 1.13 USER MOD Single : A 96 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.6) USER MOD Single : A 101 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0182) USER MOD Single : A 102 TYR OH : rot 80:sc= -0.659 USER MOD Single : A 104 LYS NZ :NH3+ -120:sc= -0.399 (180deg=-0.526) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.176 -3.839 14.578 1.00 0.00 N ATOM 2 CA GLN A 1 0.494 -3.033 13.542 1.00 0.00 C ATOM 3 C GLN A 1 -0.735 -2.342 14.123 1.00 0.00 C ATOM 4 O GLN A 1 -1.095 -2.575 15.276 1.00 0.00 O ATOM 5 CB GLN A 1 0.091 -3.910 12.352 1.00 0.00 C ATOM 6 CG GLN A 1 -0.826 -5.063 12.724 1.00 0.00 C ATOM 7 CD GLN A 1 -1.241 -5.884 11.520 1.00 0.00 C ATOM 8 OE1 GLN A 1 -1.360 -5.364 10.413 1.00 0.00 O ATOM 9 NE2 GLN A 1 -1.453 -7.174 11.726 1.00 0.00 N ATOM 0 H1 GLN A 1 1.454 -4.757 14.176 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.023 -3.335 14.908 1.00 0.00 H new ATOM 0 H3 GLN A 1 0.531 -3.993 15.379 1.00 0.00 H new ATOM 0 HA GLN A 1 1.191 -2.271 13.193 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -0.405 -3.289 11.606 1.00 0.00 H new ATOM 0 HB3 GLN A 1 0.991 -4.310 11.886 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -0.321 -5.708 13.443 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -1.716 -4.671 13.217 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -1.343 -7.566 12.661 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -1.726 -7.776 10.949 1.00 0.00 H new ATOM 20 N GLU A 2 -1.360 -1.493 13.309 1.00 0.00 N ATOM 21 CA GLU A 2 -2.545 -0.728 13.696 1.00 0.00 C ATOM 22 C GLU A 2 -2.222 0.283 14.787 1.00 0.00 C ATOM 23 O GLU A 2 -1.813 1.411 14.504 1.00 0.00 O ATOM 24 CB GLU A 2 -3.701 -1.656 14.101 1.00 0.00 C ATOM 25 CG GLU A 2 -5.066 -0.975 14.126 1.00 0.00 C ATOM 26 CD GLU A 2 -5.426 -0.409 15.483 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.481 -1.188 16.459 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.659 0.816 15.580 1.00 0.00 O ATOM 0 H GLU A 2 -1.055 -1.315 12.352 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.874 -0.164 12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.739 -2.496 13.407 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.494 -2.067 15.089 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.077 -0.171 13.390 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.829 -1.693 13.825 1.00 0.00 H new ATOM 35 N ALA A 3 -2.378 -0.127 16.018 1.00 0.00 N ATOM 36 CA ALA A 3 -2.169 0.766 17.146 1.00 0.00 C ATOM 37 C ALA A 3 -0.727 0.731 17.628 1.00 0.00 C ATOM 38 O ALA A 3 0.123 0.056 17.044 1.00 0.00 O ATOM 39 CB ALA A 3 -3.119 0.430 18.282 1.00 0.00 C ATOM 0 H ALA A 3 -2.650 -1.076 16.274 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.380 1.779 16.805 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.945 1.111 19.115 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.148 0.533 17.938 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.947 -0.595 18.609 1.00 0.00 H new ATOM 45 N GLY A 4 -0.462 1.465 18.696 1.00 0.00 N ATOM 46 CA GLY A 4 0.891 1.601 19.187 1.00 0.00 C ATOM 47 C GLY A 4 1.487 2.921 18.759 1.00 0.00 C ATOM 48 O GLY A 4 2.677 3.012 18.463 1.00 0.00 O ATOM 0 H GLY A 4 -1.165 1.972 19.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.897 1.530 20.275 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.503 0.781 18.811 1.00 0.00 H new ATOM 52 N GLY A 5 0.643 3.946 18.722 1.00 0.00 N ATOM 53 CA GLY A 5 1.070 5.251 18.264 1.00 0.00 C ATOM 54 C GLY A 5 0.986 5.380 16.756 1.00 0.00 C ATOM 55 O GLY A 5 1.628 6.252 16.167 1.00 0.00 O ATOM 0 H GLY A 5 -0.336 3.893 19.004 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.451 6.018 18.728 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.096 5.431 18.587 1.00 0.00 H new ATOM 59 N ARG A 6 0.175 4.512 16.142 1.00 0.00 N ATOM 60 CA ARG A 6 0.038 4.450 14.683 1.00 0.00 C ATOM 61 C ARG A 6 1.407 4.343 14.013 1.00 0.00 C ATOM 62 O ARG A 6 1.872 5.284 13.372 1.00 0.00 O ATOM 63 CB ARG A 6 -0.728 5.668 14.149 1.00 0.00 C ATOM 64 CG ARG A 6 -2.193 5.704 14.563 1.00 0.00 C ATOM 65 CD ARG A 6 -2.983 4.560 13.943 1.00 0.00 C ATOM 66 NE ARG A 6 -3.062 4.671 12.485 1.00 0.00 N ATOM 67 CZ ARG A 6 -2.758 3.693 11.642 1.00 0.00 C ATOM 68 NH1 ARG A 6 -2.382 2.509 12.103 1.00 0.00 N ATOM 69 NH2 ARG A 6 -2.835 3.911 10.336 1.00 0.00 N ATOM 0 H ARG A 6 -0.403 3.835 16.640 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.535 3.555 14.440 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.238 6.576 14.501 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.668 5.675 13.061 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.265 5.649 15.649 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.633 6.655 14.262 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.516 3.612 14.209 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.990 4.548 14.360 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.371 5.560 12.091 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.326 2.348 13.109 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.149 1.759 11.452 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.126 4.824 9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.603 3.165 9.680 1.00 0.00 H new ATOM 83 N PRO A 7 2.065 3.183 14.144 1.00 0.00 N ATOM 84 CA PRO A 7 3.408 2.968 13.646 1.00 0.00 C ATOM 85 C PRO A 7 3.388 2.440 12.222 1.00 0.00 C ATOM 86 O PRO A 7 3.695 1.273 11.971 1.00 0.00 O ATOM 87 CB PRO A 7 3.973 1.915 14.611 1.00 0.00 C ATOM 88 CG PRO A 7 2.792 1.348 15.353 1.00 0.00 C ATOM 89 CD PRO A 7 1.552 1.962 14.756 1.00 0.00 C ATOM 0 HA PRO A 7 4.000 3.883 13.610 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.503 1.133 14.067 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.688 2.363 15.301 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.766 0.262 15.261 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.860 1.577 16.417 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.087 1.304 14.021 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.799 2.174 15.515 1.00 0.00 H new ATOM 97 N GLY A 8 2.995 3.293 11.292 1.00 0.00 N ATOM 98 CA GLY A 8 2.908 2.872 9.915 1.00 0.00 C ATOM 99 C GLY A 8 4.240 2.972 9.213 1.00 0.00 C ATOM 100 O GLY A 8 4.487 2.258 8.244 1.00 0.00 O ATOM 0 H GLY A 8 2.736 4.264 11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.551 1.843 9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.175 3.487 9.393 1.00 0.00 H new ATOM 104 N ALA A 9 5.091 3.873 9.703 1.00 0.00 N ATOM 105 CA ALA A 9 6.422 4.066 9.144 1.00 0.00 C ATOM 106 C ALA A 9 7.245 5.016 10.006 1.00 0.00 C ATOM 107 O ALA A 9 8.020 4.589 10.861 1.00 0.00 O ATOM 108 CB ALA A 9 6.329 4.614 7.728 1.00 0.00 C ATOM 0 H ALA A 9 4.877 4.483 10.492 1.00 0.00 H new ATOM 0 HA ALA A 9 6.918 3.096 9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.332 4.752 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.780 3.911 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.808 5.571 7.742 1.00 0.00 H new ATOM 114 N ASP A 10 7.039 6.307 9.767 1.00 0.00 N ATOM 115 CA ASP A 10 7.715 7.390 10.483 1.00 0.00 C ATOM 116 C ASP A 10 7.285 8.704 9.854 1.00 0.00 C ATOM 117 O ASP A 10 7.264 9.751 10.499 1.00 0.00 O ATOM 118 CB ASP A 10 9.241 7.258 10.431 1.00 0.00 C ATOM 119 CG ASP A 10 9.939 8.306 11.280 1.00 0.00 C ATOM 120 OD1 ASP A 10 9.866 8.220 12.527 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.562 9.225 10.712 1.00 0.00 O ATOM 0 H ASP A 10 6.386 6.639 9.057 1.00 0.00 H new ATOM 0 HA ASP A 10 7.433 7.346 11.535 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.529 6.264 10.774 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.576 7.348 9.398 1.00 0.00 H new ATOM 126 N CYS A 11 6.946 8.623 8.571 1.00 0.00 N ATOM 127 CA CYS A 11 6.300 9.721 7.860 1.00 0.00 C ATOM 128 C CYS A 11 4.843 9.833 8.327 1.00 0.00 C ATOM 129 O CYS A 11 4.552 9.542 9.480 1.00 0.00 O ATOM 130 CB CYS A 11 6.373 9.457 6.357 1.00 0.00 C ATOM 131 SG CYS A 11 7.990 8.817 5.811 1.00 0.00 S ATOM 0 H CYS A 11 7.111 7.797 7.996 1.00 0.00 H new ATOM 0 HA CYS A 11 6.807 10.662 8.072 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.597 8.742 6.083 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.158 10.382 5.822 1.00 0.00 H new ATOM 136 N GLU A 12 3.920 10.239 7.461 1.00 0.00 N ATOM 137 CA GLU A 12 2.520 10.313 7.880 1.00 0.00 C ATOM 138 C GLU A 12 1.589 9.620 6.894 1.00 0.00 C ATOM 139 O GLU A 12 1.101 8.537 7.188 1.00 0.00 O ATOM 140 CB GLU A 12 2.101 11.770 8.087 1.00 0.00 C ATOM 141 CG GLU A 12 0.705 11.935 8.664 1.00 0.00 C ATOM 142 CD GLU A 12 0.335 13.389 8.873 1.00 0.00 C ATOM 143 OE1 GLU A 12 0.807 13.992 9.857 1.00 0.00 O ATOM 144 OE2 GLU A 12 -0.439 13.935 8.067 1.00 0.00 O ATOM 0 H GLU A 12 4.103 10.514 6.496 1.00 0.00 H new ATOM 0 HA GLU A 12 2.435 9.783 8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.817 12.252 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.152 12.291 7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.019 11.471 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.643 11.407 9.615 1.00 0.00 H new ATOM 151 N VAL A 13 1.341 10.222 5.731 1.00 0.00 N ATOM 152 CA VAL A 13 0.428 9.615 4.762 1.00 0.00 C ATOM 153 C VAL A 13 0.942 8.245 4.329 1.00 0.00 C ATOM 154 O VAL A 13 0.199 7.265 4.339 1.00 0.00 O ATOM 155 CB VAL A 13 0.199 10.511 3.525 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.717 9.827 2.522 1.00 0.00 C ATOM 157 CG2 VAL A 13 -0.394 11.846 3.939 1.00 0.00 C ATOM 0 H VAL A 13 1.749 11.110 5.440 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.534 9.500 5.262 1.00 0.00 H new ATOM 0 HB VAL A 13 1.165 10.683 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.863 10.478 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.265 8.890 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.680 9.622 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.549 12.465 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.349 11.681 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.289 12.352 4.621 1.00 0.00 H new ATOM 167 N CYS A 14 2.224 8.177 3.980 1.00 0.00 N ATOM 168 CA CYS A 14 2.862 6.901 3.660 1.00 0.00 C ATOM 169 C CYS A 14 2.759 5.950 4.847 1.00 0.00 C ATOM 170 O CYS A 14 2.537 4.750 4.685 1.00 0.00 O ATOM 171 CB CYS A 14 4.332 7.110 3.286 1.00 0.00 C ATOM 172 SG CYS A 14 5.252 5.563 2.983 1.00 0.00 S ATOM 0 H CYS A 14 2.841 8.987 3.911 1.00 0.00 H new ATOM 0 HA CYS A 14 2.345 6.464 2.806 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.383 7.732 2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.824 7.662 4.087 1.00 0.00 H new ATOM 177 N LYS A 15 2.893 6.511 6.044 1.00 0.00 N ATOM 178 CA LYS A 15 2.831 5.731 7.266 1.00 0.00 C ATOM 179 C LYS A 15 1.445 5.119 7.450 1.00 0.00 C ATOM 180 O LYS A 15 1.303 3.903 7.588 1.00 0.00 O ATOM 181 CB LYS A 15 3.185 6.614 8.482 1.00 0.00 C ATOM 182 CG LYS A 15 2.630 6.089 9.797 1.00 0.00 C ATOM 183 CD LYS A 15 3.225 6.781 11.010 1.00 0.00 C ATOM 184 CE LYS A 15 2.650 8.167 11.175 1.00 0.00 C ATOM 185 NZ LYS A 15 3.131 8.838 12.409 1.00 0.00 N ATOM 0 H LYS A 15 3.046 7.509 6.190 1.00 0.00 H new ATOM 0 HA LYS A 15 3.557 4.922 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.269 6.692 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.804 7.621 8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.548 6.219 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.823 5.018 9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.025 6.191 11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.308 6.842 10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.916 8.773 10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.562 8.105 11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.708 9.786 12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.856 8.276 13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.167 8.923 12.377 1.00 0.00 H new ATOM 199 N GLU A 16 0.432 5.973 7.438 1.00 0.00 N ATOM 200 CA GLU A 16 -0.938 5.545 7.646 1.00 0.00 C ATOM 201 C GLU A 16 -1.351 4.524 6.601 1.00 0.00 C ATOM 202 O GLU A 16 -1.941 3.500 6.936 1.00 0.00 O ATOM 203 CB GLU A 16 -1.883 6.744 7.604 1.00 0.00 C ATOM 204 CG GLU A 16 -1.685 7.719 8.750 1.00 0.00 C ATOM 205 CD GLU A 16 -1.957 7.090 10.099 1.00 0.00 C ATOM 206 OE1 GLU A 16 -3.121 6.710 10.359 1.00 0.00 O ATOM 207 OE2 GLU A 16 -1.018 6.977 10.908 1.00 0.00 O ATOM 0 H GLU A 16 0.538 6.976 7.285 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.000 5.078 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.743 7.273 6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.912 6.385 7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.663 8.097 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.345 8.576 8.612 1.00 0.00 H new ATOM 214 N PHE A 17 -1.017 4.794 5.343 1.00 0.00 N ATOM 215 CA PHE A 17 -1.404 3.913 4.253 1.00 0.00 C ATOM 216 C PHE A 17 -0.876 2.498 4.457 1.00 0.00 C ATOM 217 O PHE A 17 -1.658 1.553 4.502 1.00 0.00 O ATOM 218 CB PHE A 17 -0.915 4.445 2.907 1.00 0.00 C ATOM 219 CG PHE A 17 -1.191 3.490 1.785 1.00 0.00 C ATOM 220 CD1 PHE A 17 -2.470 3.362 1.273 1.00 0.00 C ATOM 221 CD2 PHE A 17 -0.182 2.698 1.265 1.00 0.00 C ATOM 222 CE1 PHE A 17 -2.736 2.466 0.260 1.00 0.00 C ATOM 223 CE2 PHE A 17 -0.443 1.795 0.255 1.00 0.00 C ATOM 224 CZ PHE A 17 -1.720 1.681 -0.249 1.00 0.00 C ATOM 0 H PHE A 17 -0.481 5.613 5.056 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.494 3.883 4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.400 5.398 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.156 4.638 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.268 3.971 1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.821 2.788 1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.737 2.378 -0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.352 1.179 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.927 0.978 -1.042 1.00 0.00 H new ATOM 234 N LEU A 18 0.439 2.353 4.612 1.00 0.00 N ATOM 235 CA LEU A 18 1.050 1.034 4.697 1.00 0.00 C ATOM 236 C LEU A 18 0.500 0.254 5.878 1.00 0.00 C ATOM 237 O LEU A 18 0.085 -0.892 5.734 1.00 0.00 O ATOM 238 CB LEU A 18 2.572 1.151 4.814 1.00 0.00 C ATOM 239 CG LEU A 18 3.288 1.705 3.583 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.759 1.922 3.885 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.136 0.759 2.402 1.00 0.00 C ATOM 0 H LEU A 18 1.096 3.130 4.681 1.00 0.00 H new ATOM 0 HA LEU A 18 0.806 0.495 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.805 1.790 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.978 0.164 5.035 1.00 0.00 H new ATOM 0 HG LEU A 18 2.833 2.661 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.258 2.317 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.861 2.632 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.216 0.973 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.653 1.172 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.567 -0.210 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.078 0.636 2.168 1.00 0.00 H new ATOM 253 N ASN A 19 0.465 0.895 7.034 1.00 0.00 N ATOM 254 CA ASN A 19 0.030 0.238 8.257 1.00 0.00 C ATOM 255 C ASN A 19 -1.451 -0.114 8.201 1.00 0.00 C ATOM 256 O ASN A 19 -1.858 -1.197 8.618 1.00 0.00 O ATOM 257 CB ASN A 19 0.287 1.145 9.456 1.00 0.00 C ATOM 258 CG ASN A 19 0.065 0.444 10.778 1.00 0.00 C ATOM 259 OD1 ASN A 19 -1.061 0.341 11.251 1.00 0.00 O ATOM 260 ND2 ASN A 19 1.142 -0.017 11.398 1.00 0.00 N ATOM 0 H ASN A 19 0.733 1.872 7.152 1.00 0.00 H new ATOM 0 HA ASN A 19 0.601 -0.685 8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.311 1.515 9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.368 2.014 9.396 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.051 -0.478 12.303 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.062 0.089 10.970 1.00 0.00 H new ATOM 267 N ARG A 20 -2.254 0.804 7.680 1.00 0.00 N ATOM 268 CA ARG A 20 -3.699 0.626 7.667 1.00 0.00 C ATOM 269 C ARG A 20 -4.119 -0.326 6.558 1.00 0.00 C ATOM 270 O ARG A 20 -5.062 -1.092 6.722 1.00 0.00 O ATOM 271 CB ARG A 20 -4.396 1.983 7.533 1.00 0.00 C ATOM 272 CG ARG A 20 -5.901 1.942 7.731 1.00 0.00 C ATOM 273 CD ARG A 20 -6.427 3.303 8.160 1.00 0.00 C ATOM 274 NE ARG A 20 -6.109 4.359 7.196 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.710 5.581 7.548 1.00 0.00 C ATOM 276 NH1 ARG A 20 -5.565 5.891 8.833 1.00 0.00 N ATOM 277 NH2 ARG A 20 -5.453 6.500 6.624 1.00 0.00 N ATOM 0 H ARG A 20 -1.930 1.676 7.262 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.005 0.178 8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.966 2.671 8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.184 2.390 6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.386 1.635 6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.153 1.196 8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.508 3.247 8.288 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.004 3.563 9.130 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.198 4.148 6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.759 5.193 9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.260 6.827 9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.561 6.273 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.148 7.433 6.903 1.00 0.00 H new ATOM 291 N PHE A 21 -3.410 -0.293 5.441 1.00 0.00 N ATOM 292 CA PHE A 21 -3.617 -1.266 4.376 1.00 0.00 C ATOM 293 C PHE A 21 -3.319 -2.656 4.904 1.00 0.00 C ATOM 294 O PHE A 21 -4.092 -3.601 4.722 1.00 0.00 O ATOM 295 CB PHE A 21 -2.679 -0.963 3.210 1.00 0.00 C ATOM 296 CG PHE A 21 -2.701 -1.997 2.122 1.00 0.00 C ATOM 297 CD1 PHE A 21 -3.782 -2.108 1.264 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.633 -2.866 1.965 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.798 -3.068 0.271 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.642 -3.826 0.974 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.725 -3.929 0.126 1.00 0.00 C ATOM 0 H PHE A 21 -2.685 0.397 5.247 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.651 -1.211 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.947 0.004 2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.661 -0.872 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.621 -1.437 1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.783 -2.791 2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.647 -3.146 -0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.802 -4.496 0.862 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.735 -4.680 -0.650 1.00 0.00 H new ATOM 311 N TYR A 22 -2.189 -2.733 5.581 1.00 0.00 N ATOM 312 CA TYR A 22 -1.675 -3.967 6.127 1.00 0.00 C ATOM 313 C TYR A 22 -2.692 -4.625 7.062 1.00 0.00 C ATOM 314 O TYR A 22 -3.016 -5.804 6.903 1.00 0.00 O ATOM 315 CB TYR A 22 -0.352 -3.652 6.834 1.00 0.00 C ATOM 316 CG TYR A 22 0.418 -4.853 7.336 1.00 0.00 C ATOM 317 CD1 TYR A 22 0.096 -6.141 6.926 1.00 0.00 C ATOM 318 CD2 TYR A 22 1.491 -4.691 8.203 1.00 0.00 C ATOM 319 CE1 TYR A 22 0.817 -7.231 7.368 1.00 0.00 C ATOM 320 CE2 TYR A 22 2.216 -5.777 8.649 1.00 0.00 C ATOM 321 CZ TYR A 22 1.874 -7.043 8.229 1.00 0.00 C ATOM 322 OH TYR A 22 2.593 -8.127 8.664 1.00 0.00 O ATOM 0 H TYR A 22 -1.596 -1.925 5.768 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.494 -4.689 5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.284 -3.096 6.146 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.559 -2.995 7.679 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.733 -6.291 6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.762 -3.699 8.533 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.554 -8.226 7.040 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.047 -5.635 9.324 1.00 0.00 H new ATOM 0 HH TYR A 22 2.849 -8.679 7.896 1.00 0.00 H new ATOM 332 N LYS A 23 -3.235 -3.862 8.004 1.00 0.00 N ATOM 333 CA LYS A 23 -4.203 -4.416 8.943 1.00 0.00 C ATOM 334 C LYS A 23 -5.539 -4.703 8.259 1.00 0.00 C ATOM 335 O LYS A 23 -6.225 -5.657 8.613 1.00 0.00 O ATOM 336 CB LYS A 23 -4.378 -3.500 10.167 1.00 0.00 C ATOM 337 CG LYS A 23 -4.687 -2.040 9.855 1.00 0.00 C ATOM 338 CD LYS A 23 -6.166 -1.791 9.596 1.00 0.00 C ATOM 339 CE LYS A 23 -7.011 -2.074 10.828 1.00 0.00 C ATOM 340 NZ LYS A 23 -8.433 -1.693 10.625 1.00 0.00 N ATOM 0 H LYS A 23 -3.026 -2.873 8.137 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.811 -5.368 9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.182 -3.899 10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.466 -3.541 10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.359 -1.418 10.688 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.113 -1.731 8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.311 -0.756 9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.502 -2.421 8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.951 -3.134 11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.606 -1.526 11.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.975 -1.902 11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.493 -0.676 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.827 -2.234 9.829 1.00 0.00 H new ATOM 354 N SER A 24 -5.886 -3.904 7.255 1.00 0.00 N ATOM 355 CA SER A 24 -7.146 -4.083 6.531 1.00 0.00 C ATOM 356 C SER A 24 -7.219 -5.459 5.872 1.00 0.00 C ATOM 357 O SER A 24 -8.272 -6.094 5.853 1.00 0.00 O ATOM 358 CB SER A 24 -7.319 -2.987 5.478 1.00 0.00 C ATOM 359 OG SER A 24 -7.476 -1.716 6.088 1.00 0.00 O ATOM 0 H SER A 24 -5.315 -3.127 6.922 1.00 0.00 H new ATOM 0 HA SER A 24 -7.957 -4.011 7.256 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.452 -2.973 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.188 -3.207 4.859 1.00 0.00 H new ATOM 0 HG SER A 24 -6.603 -1.276 6.157 1.00 0.00 H new ATOM 365 N LEU A 25 -6.096 -5.922 5.347 1.00 0.00 N ATOM 366 CA LEU A 25 -6.033 -7.231 4.701 1.00 0.00 C ATOM 367 C LEU A 25 -6.074 -8.347 5.728 1.00 0.00 C ATOM 368 O LEU A 25 -6.447 -9.476 5.412 1.00 0.00 O ATOM 369 CB LEU A 25 -4.768 -7.338 3.854 1.00 0.00 C ATOM 370 CG LEU A 25 -4.919 -6.878 2.406 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.745 -5.602 2.323 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.551 -6.684 1.776 1.00 0.00 C ATOM 0 H LEU A 25 -5.212 -5.413 5.354 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.904 -7.335 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.982 -6.749 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.434 -8.376 3.857 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.450 -7.650 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.838 -5.296 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.737 -5.783 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.253 -4.812 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.669 -6.356 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.997 -5.930 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.004 -7.626 1.797 1.00 0.00 H new ATOM 384 N ILE A 26 -5.700 -8.030 6.957 1.00 0.00 N ATOM 385 CA ILE A 26 -5.799 -8.990 8.040 1.00 0.00 C ATOM 386 C ILE A 26 -7.239 -9.025 8.538 1.00 0.00 C ATOM 387 O ILE A 26 -7.811 -10.095 8.753 1.00 0.00 O ATOM 388 CB ILE A 26 -4.845 -8.645 9.205 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.401 -8.519 8.703 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.935 -9.699 10.302 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.863 -9.780 8.058 1.00 0.00 C ATOM 0 H ILE A 26 -5.327 -7.120 7.227 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.505 -9.969 7.661 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.150 -7.685 9.622 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.347 -7.703 7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.758 -8.248 9.540 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.256 -9.438 11.114 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.956 -9.742 10.683 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.658 -10.672 9.896 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.838 -9.611 7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.883 -10.595 8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.481 -10.042 7.199 1.00 0.00 H new ATOM 403 N ASP A 27 -7.822 -7.839 8.686 1.00 0.00 N ATOM 404 CA ASP A 27 -9.232 -7.696 9.031 1.00 0.00 C ATOM 405 C ASP A 27 -10.109 -8.427 8.030 1.00 0.00 C ATOM 406 O ASP A 27 -10.911 -9.283 8.398 1.00 0.00 O ATOM 407 CB ASP A 27 -9.638 -6.218 9.053 1.00 0.00 C ATOM 408 CG ASP A 27 -9.379 -5.545 10.383 1.00 0.00 C ATOM 409 OD1 ASP A 27 -8.228 -5.147 10.644 1.00 0.00 O ATOM 410 OD2 ASP A 27 -10.339 -5.386 11.168 1.00 0.00 O ATOM 0 H ASP A 27 -7.331 -6.952 8.570 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.372 -8.128 10.022 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.092 -5.687 8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.698 -6.136 8.813 1.00 0.00 H new ATOM 415 N ARG A 28 -9.940 -8.091 6.759 1.00 0.00 N ATOM 416 CA ARG A 28 -10.775 -8.650 5.706 1.00 0.00 C ATOM 417 C ARG A 28 -10.338 -10.062 5.322 1.00 0.00 C ATOM 418 O ARG A 28 -11.074 -10.790 4.660 1.00 0.00 O ATOM 419 CB ARG A 28 -10.797 -7.731 4.483 1.00 0.00 C ATOM 420 CG ARG A 28 -11.346 -6.349 4.795 1.00 0.00 C ATOM 421 CD ARG A 28 -11.777 -5.602 3.543 1.00 0.00 C ATOM 422 NE ARG A 28 -10.667 -5.318 2.632 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.195 -4.093 2.400 1.00 0.00 C ATOM 424 NH1 ARG A 28 -10.611 -3.067 3.128 1.00 0.00 N ATOM 425 NH2 ARG A 28 -9.286 -3.900 1.460 1.00 0.00 N ATOM 0 H ARG A 28 -9.232 -7.434 6.432 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.789 -8.722 6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.786 -7.635 4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.402 -8.189 3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.197 -6.443 5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.586 -5.768 5.318 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.529 -6.190 3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.251 -4.664 3.832 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.230 -6.102 2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.296 -3.212 3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.247 -2.132 2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.945 -4.689 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.926 -2.962 1.284 1.00 0.00 H new ATOM 439 N GLY A 29 -9.136 -10.443 5.748 1.00 0.00 N ATOM 440 CA GLY A 29 -8.642 -11.791 5.509 1.00 0.00 C ATOM 441 C GLY A 29 -8.362 -12.062 4.044 1.00 0.00 C ATOM 442 O GLY A 29 -8.497 -13.192 3.577 1.00 0.00 O ATOM 0 H GLY A 29 -8.491 -9.839 6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.729 -11.946 6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.374 -12.512 5.874 1.00 0.00 H new ATOM 446 N VAL A 30 -7.962 -11.026 3.321 1.00 0.00 N ATOM 447 CA VAL A 30 -7.734 -11.132 1.890 1.00 0.00 C ATOM 448 C VAL A 30 -6.251 -11.306 1.599 1.00 0.00 C ATOM 449 O VAL A 30 -5.815 -11.383 0.449 1.00 0.00 O ATOM 450 CB VAL A 30 -8.253 -9.870 1.170 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.533 -9.370 1.808 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.213 -8.767 1.185 1.00 0.00 C ATOM 0 H VAL A 30 -7.788 -10.098 3.706 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.275 -12.004 1.523 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.458 -10.146 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.878 -8.480 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.296 -10.146 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.347 -9.124 2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.606 -7.890 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.974 -8.506 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.311 -9.111 0.679 1.00 0.00 H new ATOM 462 N ASN A 31 -5.496 -11.396 2.664 1.00 0.00 N ATOM 463 CA ASN A 31 -4.048 -11.348 2.592 1.00 0.00 C ATOM 464 C ASN A 31 -3.469 -12.720 2.261 1.00 0.00 C ATOM 465 O ASN A 31 -4.205 -13.704 2.186 1.00 0.00 O ATOM 466 CB ASN A 31 -3.495 -10.836 3.919 1.00 0.00 C ATOM 467 CG ASN A 31 -2.059 -10.356 3.824 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.286 -10.510 4.765 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.694 -9.771 2.689 1.00 0.00 N ATOM 0 H ASN A 31 -5.863 -11.505 3.609 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.756 -10.668 1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.122 -10.018 4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.557 -11.631 4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.740 -9.430 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.368 -9.663 1.931 1.00 0.00 H new ATOM 476 N PHE A 32 -2.149 -12.757 2.052 1.00 0.00 N ATOM 477 CA PHE A 32 -1.408 -13.973 1.695 1.00 0.00 C ATOM 478 C PHE A 32 -1.646 -14.344 0.227 1.00 0.00 C ATOM 479 O PHE A 32 -0.965 -15.205 -0.327 1.00 0.00 O ATOM 480 CB PHE A 32 -1.765 -15.140 2.625 1.00 0.00 C ATOM 481 CG PHE A 32 -0.660 -16.148 2.780 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.383 -15.914 3.662 1.00 0.00 C ATOM 483 CD2 PHE A 32 -0.661 -17.324 2.048 1.00 0.00 C ATOM 484 CE1 PHE A 32 1.403 -16.833 3.811 1.00 0.00 C ATOM 485 CE2 PHE A 32 0.358 -18.247 2.193 1.00 0.00 C ATOM 486 CZ PHE A 32 1.391 -18.000 3.076 1.00 0.00 C ATOM 0 H PHE A 32 -1.556 -11.931 2.127 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.346 -13.766 1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.025 -14.744 3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.652 -15.643 2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.398 -15.002 4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.467 -17.522 1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.209 -16.638 4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.346 -19.160 1.616 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.188 -18.720 3.191 1.00 0.00 H new ATOM 496 N SER A 33 -2.615 -13.685 -0.393 1.00 0.00 N ATOM 497 CA SER A 33 -2.854 -13.822 -1.819 1.00 0.00 C ATOM 498 C SER A 33 -2.245 -12.628 -2.547 1.00 0.00 C ATOM 499 O SER A 33 -2.780 -11.519 -2.501 1.00 0.00 O ATOM 500 CB SER A 33 -4.354 -13.918 -2.093 1.00 0.00 C ATOM 501 OG SER A 33 -4.934 -14.976 -1.346 1.00 0.00 O ATOM 0 H SER A 33 -3.254 -13.044 0.078 1.00 0.00 H new ATOM 0 HA SER A 33 -2.385 -14.736 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.837 -12.976 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.525 -14.081 -3.157 1.00 0.00 H new ATOM 0 HG SER A 33 -5.895 -15.020 -1.533 1.00 0.00 H new ATOM 507 N LEU A 34 -1.125 -12.871 -3.208 1.00 0.00 N ATOM 508 CA LEU A 34 -0.310 -11.815 -3.797 1.00 0.00 C ATOM 509 C LEU A 34 -1.067 -11.053 -4.884 1.00 0.00 C ATOM 510 O LEU A 34 -0.939 -9.833 -5.001 1.00 0.00 O ATOM 511 CB LEU A 34 0.972 -12.431 -4.356 1.00 0.00 C ATOM 512 CG LEU A 34 2.104 -11.449 -4.642 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.320 -10.533 -3.454 1.00 0.00 C ATOM 514 CD2 LEU A 34 3.381 -12.206 -4.947 1.00 0.00 C ATOM 0 H LEU A 34 -0.752 -13.809 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.062 -11.091 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.333 -13.178 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.729 -12.957 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 34 1.831 -10.844 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.131 -9.838 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.406 -9.973 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.579 -11.128 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.184 -11.498 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.651 -12.825 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.228 -12.841 -5.820 1.00 0.00 H new ATOM 526 N ASP A 35 -1.861 -11.773 -5.666 1.00 0.00 N ATOM 527 CA ASP A 35 -2.692 -11.157 -6.698 1.00 0.00 C ATOM 528 C ASP A 35 -3.711 -10.219 -6.063 1.00 0.00 C ATOM 529 O ASP A 35 -3.945 -9.104 -6.541 1.00 0.00 O ATOM 530 CB ASP A 35 -3.415 -12.236 -7.508 1.00 0.00 C ATOM 531 CG ASP A 35 -4.228 -11.667 -8.656 1.00 0.00 C ATOM 532 OD1 ASP A 35 -3.665 -11.487 -9.759 1.00 0.00 O ATOM 533 OD2 ASP A 35 -5.435 -11.414 -8.470 1.00 0.00 O ATOM 0 H ASP A 35 -1.949 -12.787 -5.607 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.049 -10.583 -7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.682 -12.940 -7.902 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.074 -12.799 -6.847 1.00 0.00 H new ATOM 538 N THR A 36 -4.291 -10.675 -4.963 1.00 0.00 N ATOM 539 CA THR A 36 -5.301 -9.914 -4.249 1.00 0.00 C ATOM 540 C THR A 36 -4.709 -8.665 -3.623 1.00 0.00 C ATOM 541 O THR A 36 -5.331 -7.609 -3.641 1.00 0.00 O ATOM 542 CB THR A 36 -5.969 -10.781 -3.160 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.520 -11.963 -3.753 1.00 0.00 O ATOM 544 CG2 THR A 36 -7.062 -10.018 -2.427 1.00 0.00 C ATOM 0 H THR A 36 -4.075 -11.579 -4.543 1.00 0.00 H new ATOM 0 HA THR A 36 -6.057 -9.610 -4.974 1.00 0.00 H new ATOM 0 HB THR A 36 -5.204 -11.053 -2.433 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.941 -12.511 -3.059 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.509 -10.661 -1.669 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.633 -9.137 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.829 -9.708 -3.137 1.00 0.00 H new ATOM 552 N ILE A 37 -3.501 -8.781 -3.098 1.00 0.00 N ATOM 553 CA ILE A 37 -2.827 -7.639 -2.500 1.00 0.00 C ATOM 554 C ILE A 37 -2.682 -6.517 -3.521 1.00 0.00 C ATOM 555 O ILE A 37 -2.777 -5.338 -3.178 1.00 0.00 O ATOM 556 CB ILE A 37 -1.445 -8.029 -1.944 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.598 -9.161 -0.930 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.766 -6.827 -1.300 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.284 -9.729 -0.456 1.00 0.00 C ATOM 0 H ILE A 37 -2.968 -9.650 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.439 -7.290 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.818 -8.371 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.157 -8.793 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.190 -9.960 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.209 -7.124 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.638 -6.040 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.383 -6.456 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.471 -10.528 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.268 -10.127 -1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.302 -8.943 0.021 1.00 0.00 H new ATOM 571 N GLU A 38 -2.487 -6.884 -4.783 1.00 0.00 N ATOM 572 CA GLU A 38 -2.400 -5.893 -5.838 1.00 0.00 C ATOM 573 C GLU A 38 -3.753 -5.237 -6.064 1.00 0.00 C ATOM 574 O GLU A 38 -3.851 -4.015 -6.174 1.00 0.00 O ATOM 575 CB GLU A 38 -1.891 -6.495 -7.148 1.00 0.00 C ATOM 576 CG GLU A 38 -1.654 -5.439 -8.218 1.00 0.00 C ATOM 577 CD GLU A 38 -1.232 -6.013 -9.550 1.00 0.00 C ATOM 578 OE1 GLU A 38 -0.145 -6.620 -9.629 1.00 0.00 O ATOM 579 OE2 GLU A 38 -1.973 -5.829 -10.537 1.00 0.00 O ATOM 0 H GLU A 38 -2.388 -7.850 -5.094 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.681 -5.140 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.962 -7.033 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.614 -7.224 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.567 -4.860 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.887 -4.747 -7.870 1.00 0.00 H new ATOM 586 N LYS A 39 -4.797 -6.053 -6.119 1.00 0.00 N ATOM 587 CA LYS A 39 -6.147 -5.542 -6.315 1.00 0.00 C ATOM 588 C LYS A 39 -6.547 -4.649 -5.145 1.00 0.00 C ATOM 589 O LYS A 39 -7.161 -3.599 -5.329 1.00 0.00 O ATOM 590 CB LYS A 39 -7.146 -6.694 -6.455 1.00 0.00 C ATOM 591 CG LYS A 39 -6.792 -7.697 -7.545 1.00 0.00 C ATOM 592 CD LYS A 39 -6.559 -7.021 -8.889 1.00 0.00 C ATOM 593 CE LYS A 39 -7.771 -6.224 -9.351 1.00 0.00 C ATOM 594 NZ LYS A 39 -8.953 -7.086 -9.614 1.00 0.00 N ATOM 0 H LYS A 39 -4.736 -7.067 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.161 -4.955 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.214 -7.219 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.133 -6.281 -6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.896 -8.246 -7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.596 -8.427 -7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.697 -6.358 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.317 -7.777 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.026 -5.485 -8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.517 -5.675 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.735 -6.502 -9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.706 -7.808 -10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.246 -7.552 -8.732 1.00 0.00 H new ATOM 608 N GLU A 40 -6.166 -5.070 -3.948 1.00 0.00 N ATOM 609 CA GLU A 40 -6.487 -4.346 -2.728 1.00 0.00 C ATOM 610 C GLU A 40 -5.738 -3.026 -2.656 1.00 0.00 C ATOM 611 O GLU A 40 -6.293 -2.026 -2.209 1.00 0.00 O ATOM 612 CB GLU A 40 -6.163 -5.195 -1.503 1.00 0.00 C ATOM 613 CG GLU A 40 -7.054 -6.417 -1.364 1.00 0.00 C ATOM 614 CD GLU A 40 -8.497 -6.056 -1.085 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.238 -5.761 -2.046 1.00 0.00 O ATOM 616 OE2 GLU A 40 -8.894 -6.062 0.098 1.00 0.00 O ATOM 0 H GLU A 40 -5.626 -5.922 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.556 -4.132 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.123 -5.517 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.260 -4.580 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.001 -7.007 -2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.678 -7.046 -0.557 1.00 0.00 H new ATOM 623 N LEU A 41 -4.477 -3.024 -3.083 1.00 0.00 N ATOM 624 CA LEU A 41 -3.699 -1.791 -3.138 1.00 0.00 C ATOM 625 C LEU A 41 -4.425 -0.751 -3.975 1.00 0.00 C ATOM 626 O LEU A 41 -4.728 0.336 -3.499 1.00 0.00 O ATOM 627 CB LEU A 41 -2.301 -2.048 -3.711 1.00 0.00 C ATOM 628 CG LEU A 41 -1.254 -2.520 -2.699 1.00 0.00 C ATOM 629 CD1 LEU A 41 0.026 -2.925 -3.406 1.00 0.00 C ATOM 630 CD2 LEU A 41 -0.965 -1.423 -1.685 1.00 0.00 C ATOM 0 H LEU A 41 -3.976 -3.856 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.586 -1.415 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.382 -2.796 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.943 -1.130 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.652 -3.388 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.758 -3.258 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.184 -3.737 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.424 -2.071 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.219 -1.774 -0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.587 -0.541 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.882 -1.168 -1.154 1.00 0.00 H new ATOM 642 N ILE A 42 -4.741 -1.117 -5.208 1.00 0.00 N ATOM 643 CA ILE A 42 -5.454 -0.226 -6.114 1.00 0.00 C ATOM 644 C ILE A 42 -6.790 0.215 -5.511 1.00 0.00 C ATOM 645 O ILE A 42 -7.129 1.401 -5.520 1.00 0.00 O ATOM 646 CB ILE A 42 -5.680 -0.896 -7.493 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.455 -0.702 -8.393 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.929 -0.362 -8.181 1.00 0.00 C ATOM 649 CD1 ILE A 42 -3.213 -1.422 -7.918 1.00 0.00 C ATOM 0 H ILE A 42 -4.514 -2.028 -5.606 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.834 0.659 -6.261 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.826 -1.962 -7.318 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.699 -1.047 -9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.237 0.364 -8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.053 -0.856 -9.145 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.801 -0.560 -7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.829 0.712 -8.334 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.394 -1.231 -8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.940 -1.061 -6.926 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.408 -2.493 -7.873 1.00 0.00 H new ATOM 661 N SER A 43 -7.530 -0.746 -4.967 1.00 0.00 N ATOM 662 CA SER A 43 -8.831 -0.474 -4.367 1.00 0.00 C ATOM 663 C SER A 43 -8.713 0.493 -3.187 1.00 0.00 C ATOM 664 O SER A 43 -9.415 1.505 -3.135 1.00 0.00 O ATOM 665 CB SER A 43 -9.475 -1.784 -3.911 1.00 0.00 C ATOM 666 OG SER A 43 -9.654 -2.670 -5.006 1.00 0.00 O ATOM 0 H SER A 43 -7.248 -1.726 -4.930 1.00 0.00 H new ATOM 0 HA SER A 43 -9.460 -0.002 -5.122 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.849 -2.257 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.438 -1.577 -3.445 1.00 0.00 H new ATOM 0 HG SER A 43 -8.783 -3.013 -5.295 1.00 0.00 H new ATOM 672 N PHE A 44 -7.812 0.186 -2.259 1.00 0.00 N ATOM 673 CA PHE A 44 -7.611 1.008 -1.069 1.00 0.00 C ATOM 674 C PHE A 44 -7.154 2.406 -1.470 1.00 0.00 C ATOM 675 O PHE A 44 -7.635 3.402 -0.936 1.00 0.00 O ATOM 676 CB PHE A 44 -6.566 0.358 -0.151 1.00 0.00 C ATOM 677 CG PHE A 44 -6.510 0.934 1.242 1.00 0.00 C ATOM 678 CD1 PHE A 44 -5.836 2.118 1.499 1.00 0.00 C ATOM 679 CD2 PHE A 44 -7.127 0.280 2.296 1.00 0.00 C ATOM 680 CE1 PHE A 44 -5.779 2.637 2.778 1.00 0.00 C ATOM 681 CE2 PHE A 44 -7.073 0.795 3.577 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.398 1.975 3.819 1.00 0.00 C ATOM 0 H PHE A 44 -7.205 -0.632 -2.309 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.556 1.086 -0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.777 -0.709 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.583 0.459 -0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.349 2.641 0.689 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.657 -0.644 2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.250 3.560 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.559 0.275 4.389 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.355 2.379 4.820 1.00 0.00 H new ATOM 692 N CYS A 45 -6.238 2.460 -2.427 1.00 0.00 N ATOM 693 CA CYS A 45 -5.668 3.717 -2.897 1.00 0.00 C ATOM 694 C CYS A 45 -6.697 4.603 -3.583 1.00 0.00 C ATOM 695 O CYS A 45 -6.555 5.825 -3.604 1.00 0.00 O ATOM 696 CB CYS A 45 -4.525 3.433 -3.859 1.00 0.00 C ATOM 697 SG CYS A 45 -3.062 2.726 -3.056 1.00 0.00 S ATOM 0 H CYS A 45 -5.869 1.635 -2.900 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.305 4.254 -2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.873 2.747 -4.631 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.243 4.360 -4.359 1.00 0.00 H new ATOM 702 N LEU A 46 -7.704 3.992 -4.178 1.00 0.00 N ATOM 703 CA LEU A 46 -8.754 4.745 -4.839 1.00 0.00 C ATOM 704 C LEU A 46 -9.839 5.125 -3.834 1.00 0.00 C ATOM 705 O LEU A 46 -10.232 6.291 -3.745 1.00 0.00 O ATOM 706 CB LEU A 46 -9.315 3.932 -6.012 1.00 0.00 C ATOM 707 CG LEU A 46 -10.167 4.700 -7.034 1.00 0.00 C ATOM 708 CD1 LEU A 46 -10.348 3.866 -8.290 1.00 0.00 C ATOM 709 CD2 LEU A 46 -11.525 5.071 -6.461 1.00 0.00 C ATOM 0 H LEU A 46 -7.818 2.979 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.345 5.671 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.479 3.474 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.919 3.120 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.642 5.623 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.953 4.418 -9.009 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.373 3.649 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.848 2.931 -8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.101 5.613 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.060 4.165 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.389 5.702 -5.582 1.00 0.00 H new ATOM 721 N ASP A 47 -10.300 4.147 -3.062 1.00 0.00 N ATOM 722 CA ASP A 47 -11.356 4.376 -2.077 1.00 0.00 C ATOM 723 C ASP A 47 -10.786 4.953 -0.787 1.00 0.00 C ATOM 724 O ASP A 47 -10.843 4.330 0.277 1.00 0.00 O ATOM 725 CB ASP A 47 -12.126 3.085 -1.787 1.00 0.00 C ATOM 726 CG ASP A 47 -13.101 2.730 -2.891 1.00 0.00 C ATOM 727 OD1 ASP A 47 -14.185 3.345 -2.950 1.00 0.00 O ATOM 728 OD2 ASP A 47 -12.796 1.831 -3.703 1.00 0.00 O ATOM 0 H ASP A 47 -9.960 3.186 -3.098 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.050 5.102 -2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.419 2.266 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.669 3.193 -0.848 1.00 0.00 H new ATOM 733 N THR A 48 -10.233 6.147 -0.907 1.00 0.00 N ATOM 734 CA THR A 48 -9.660 6.876 0.213 1.00 0.00 C ATOM 735 C THR A 48 -9.772 8.372 -0.038 1.00 0.00 C ATOM 736 O THR A 48 -10.564 8.802 -0.879 1.00 0.00 O ATOM 737 CB THR A 48 -8.182 6.501 0.431 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.620 6.011 -0.789 1.00 0.00 O ATOM 739 CG2 THR A 48 -8.036 5.455 1.526 1.00 0.00 C ATOM 0 H THR A 48 -10.168 6.644 -1.795 1.00 0.00 H new ATOM 0 HA THR A 48 -10.216 6.606 1.111 1.00 0.00 H new ATOM 0 HB THR A 48 -7.646 7.397 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.487 5.042 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.982 5.210 1.657 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.436 5.848 2.460 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.585 4.556 1.246 1.00 0.00 H new ATOM 747 N LYS A 49 -8.986 9.164 0.672 1.00 0.00 N ATOM 748 CA LYS A 49 -9.007 10.607 0.485 1.00 0.00 C ATOM 749 C LYS A 49 -7.810 11.074 -0.319 1.00 0.00 C ATOM 750 O LYS A 49 -6.854 10.323 -0.508 1.00 0.00 O ATOM 751 CB LYS A 49 -9.070 11.337 1.830 1.00 0.00 C ATOM 752 CG LYS A 49 -8.134 10.763 2.879 1.00 0.00 C ATOM 753 CD LYS A 49 -8.409 11.342 4.254 1.00 0.00 C ATOM 754 CE LYS A 49 -7.757 10.505 5.340 1.00 0.00 C ATOM 755 NZ LYS A 49 -8.189 9.083 5.270 1.00 0.00 N ATOM 0 H LYS A 49 -8.329 8.836 1.379 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.908 10.851 -0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.827 12.388 1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.092 11.298 2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.245 9.679 2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.101 10.969 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.033 12.364 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.485 11.389 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.673 10.562 5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.011 10.915 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.077 8.640 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.187 9.037 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.605 8.576 4.575 1.00 0.00 H new ATOM 769 N GLY A 50 -7.878 12.322 -0.773 1.00 0.00 N ATOM 770 CA GLY A 50 -6.919 12.849 -1.729 1.00 0.00 C ATOM 771 C GLY A 50 -5.470 12.584 -1.373 1.00 0.00 C ATOM 772 O GLY A 50 -4.686 12.209 -2.241 1.00 0.00 O ATOM 0 H GLY A 50 -8.595 12.989 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.125 12.416 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.068 13.925 -1.819 1.00 0.00 H new ATOM 776 N LYS A 51 -5.112 12.768 -0.109 1.00 0.00 N ATOM 777 CA LYS A 51 -3.739 12.536 0.324 1.00 0.00 C ATOM 778 C LYS A 51 -3.303 11.100 0.037 1.00 0.00 C ATOM 779 O LYS A 51 -2.236 10.870 -0.532 1.00 0.00 O ATOM 780 CB LYS A 51 -3.573 12.847 1.810 1.00 0.00 C ATOM 781 CG LYS A 51 -2.873 14.171 2.082 1.00 0.00 C ATOM 782 CD LYS A 51 -3.677 15.361 1.583 1.00 0.00 C ATOM 783 CE LYS A 51 -2.877 16.650 1.692 1.00 0.00 C ATOM 784 NZ LYS A 51 -3.674 17.839 1.292 1.00 0.00 N ATOM 0 H LYS A 51 -5.746 13.074 0.629 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.100 13.210 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.556 12.862 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.006 12.043 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.701 14.275 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.895 14.168 1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.968 15.197 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.596 15.450 2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.530 16.775 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.990 16.580 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.101 18.698 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.955 17.749 0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.525 17.903 1.887 1.00 0.00 H new ATOM 798 N GLU A 52 -4.146 10.145 0.405 1.00 0.00 N ATOM 799 CA GLU A 52 -3.848 8.734 0.196 1.00 0.00 C ATOM 800 C GLU A 52 -3.943 8.381 -1.287 1.00 0.00 C ATOM 801 O GLU A 52 -3.097 7.653 -1.819 1.00 0.00 O ATOM 802 CB GLU A 52 -4.807 7.871 1.018 1.00 0.00 C ATOM 803 CG GLU A 52 -4.710 8.124 2.515 1.00 0.00 C ATOM 804 CD GLU A 52 -5.825 7.464 3.299 1.00 0.00 C ATOM 805 OE1 GLU A 52 -6.968 7.970 3.242 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.569 6.456 3.990 1.00 0.00 O ATOM 0 H GLU A 52 -5.046 10.323 0.852 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.828 8.537 0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.829 8.062 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.599 6.819 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.750 7.757 2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.730 9.198 2.699 1.00 0.00 H new ATOM 813 N ASN A 53 -4.959 8.925 -1.959 1.00 0.00 N ATOM 814 CA ASN A 53 -5.140 8.693 -3.390 1.00 0.00 C ATOM 815 C ASN A 53 -3.896 9.153 -4.143 1.00 0.00 C ATOM 816 O ASN A 53 -3.397 8.454 -5.023 1.00 0.00 O ATOM 817 CB ASN A 53 -6.366 9.439 -3.953 1.00 0.00 C ATOM 818 CG ASN A 53 -7.662 9.190 -3.207 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.529 10.062 -3.155 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.825 8.006 -2.658 1.00 0.00 N ATOM 0 H ASN A 53 -5.666 9.527 -1.536 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.303 7.624 -3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.158 10.509 -3.944 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.502 9.150 -4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.693 7.786 -2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.084 7.308 -2.721 1.00 0.00 H new ATOM 827 N ARG A 54 -3.395 10.327 -3.766 1.00 0.00 N ATOM 828 CA ARG A 54 -2.225 10.919 -4.405 1.00 0.00 C ATOM 829 C ARG A 54 -0.963 10.134 -4.062 1.00 0.00 C ATOM 830 O ARG A 54 -0.116 9.895 -4.922 1.00 0.00 O ATOM 831 CB ARG A 54 -2.051 12.369 -3.952 1.00 0.00 C ATOM 832 CG ARG A 54 -1.125 13.181 -4.842 1.00 0.00 C ATOM 833 CD ARG A 54 -1.783 13.490 -6.176 1.00 0.00 C ATOM 834 NE ARG A 54 -3.036 14.219 -5.994 1.00 0.00 N ATOM 835 CZ ARG A 54 -4.150 13.981 -6.683 1.00 0.00 C ATOM 836 NH1 ARG A 54 -4.150 13.100 -7.679 1.00 0.00 N ATOM 837 NH2 ARG A 54 -5.261 14.644 -6.391 1.00 0.00 N ATOM 0 H ARG A 54 -3.787 10.892 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.381 10.888 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.028 12.851 -3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.662 12.378 -2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.857 14.111 -4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.199 12.630 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.103 14.079 -6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.975 12.561 -6.713 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.059 14.959 -5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.293 12.602 -7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.007 12.922 -8.203 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.261 15.334 -5.640 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.116 14.464 -6.917 1.00 0.00 H new ATOM 851 N LEU A 55 -0.856 9.739 -2.796 1.00 0.00 N ATOM 852 CA LEU A 55 0.313 9.024 -2.290 1.00 0.00 C ATOM 853 C LEU A 55 0.622 7.791 -3.124 1.00 0.00 C ATOM 854 O LEU A 55 1.778 7.514 -3.443 1.00 0.00 O ATOM 855 CB LEU A 55 0.075 8.593 -0.845 1.00 0.00 C ATOM 856 CG LEU A 55 1.190 7.745 -0.237 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.398 8.604 0.099 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.682 7.013 0.991 1.00 0.00 C ATOM 0 H LEU A 55 -1.576 9.905 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 55 1.162 9.705 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.059 9.484 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.857 8.030 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 55 1.504 7.004 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.180 7.979 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.772 9.077 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.110 9.372 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.486 6.412 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.341 7.737 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.147 6.363 0.710 1.00 0.00 H new ATOM 870 N CYS A 56 -0.416 7.060 -3.478 1.00 0.00 N ATOM 871 CA CYS A 56 -0.249 5.810 -4.199 1.00 0.00 C ATOM 872 C CYS A 56 0.289 6.004 -5.613 1.00 0.00 C ATOM 873 O CYS A 56 0.734 5.048 -6.240 1.00 0.00 O ATOM 874 CB CYS A 56 -1.555 5.040 -4.213 1.00 0.00 C ATOM 875 SG CYS A 56 -1.992 4.371 -2.583 1.00 0.00 S ATOM 0 H CYS A 56 -1.385 7.308 -3.279 1.00 0.00 H new ATOM 0 HA CYS A 56 0.505 5.230 -3.667 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.355 5.695 -4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.482 4.222 -4.929 1.00 0.00 H new ATOM 880 N TYR A 57 0.266 7.232 -6.117 1.00 0.00 N ATOM 881 CA TYR A 57 0.896 7.519 -7.400 1.00 0.00 C ATOM 882 C TYR A 57 2.414 7.487 -7.246 1.00 0.00 C ATOM 883 O TYR A 57 3.142 7.218 -8.199 1.00 0.00 O ATOM 884 CB TYR A 57 0.444 8.873 -7.950 1.00 0.00 C ATOM 885 CG TYR A 57 -0.974 8.878 -8.477 1.00 0.00 C ATOM 886 CD1 TYR A 57 -2.042 9.173 -7.646 1.00 0.00 C ATOM 887 CD2 TYR A 57 -1.240 8.591 -9.809 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.338 9.185 -8.122 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.534 8.600 -10.295 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.579 8.899 -9.448 1.00 0.00 C ATOM 891 OH TYR A 57 -4.869 8.910 -9.928 1.00 0.00 O ATOM 0 H TYR A 57 -0.175 8.034 -5.666 1.00 0.00 H new ATOM 0 HA TYR A 57 0.590 6.753 -8.113 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.531 9.621 -7.162 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.120 9.173 -8.751 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.858 9.398 -6.606 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.423 8.357 -10.476 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.158 9.417 -7.459 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.725 8.374 -11.334 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.865 8.688 -10.883 1.00 0.00 H new ATOM 901 N TYR A 58 2.879 7.748 -6.030 1.00 0.00 N ATOM 902 CA TYR A 58 4.296 7.650 -5.714 1.00 0.00 C ATOM 903 C TYR A 58 4.647 6.206 -5.358 1.00 0.00 C ATOM 904 O TYR A 58 5.696 5.695 -5.746 1.00 0.00 O ATOM 905 CB TYR A 58 4.666 8.555 -4.535 1.00 0.00 C ATOM 906 CG TYR A 58 4.366 10.027 -4.722 1.00 0.00 C ATOM 907 CD1 TYR A 58 3.108 10.544 -4.439 1.00 0.00 C ATOM 908 CD2 TYR A 58 5.351 10.903 -5.156 1.00 0.00 C ATOM 909 CE1 TYR A 58 2.840 11.892 -4.589 1.00 0.00 C ATOM 910 CE2 TYR A 58 5.093 12.253 -5.304 1.00 0.00 C ATOM 911 CZ TYR A 58 3.836 12.742 -5.020 1.00 0.00 C ATOM 912 OH TYR A 58 3.578 14.087 -5.163 1.00 0.00 O ATOM 0 H TYR A 58 2.292 8.030 -5.245 1.00 0.00 H new ATOM 0 HA TYR A 58 4.857 7.970 -6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.135 8.204 -3.650 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.731 8.442 -4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.327 9.882 -4.096 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.336 10.523 -5.382 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.855 12.277 -4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.872 12.921 -5.640 1.00 0.00 H new ATOM 0 HH TYR A 58 4.387 14.544 -5.474 1.00 0.00 H new ATOM 922 N LEU A 59 3.750 5.558 -4.611 1.00 0.00 N ATOM 923 CA LEU A 59 3.950 4.173 -4.183 1.00 0.00 C ATOM 924 C LEU A 59 3.743 3.196 -5.341 1.00 0.00 C ATOM 925 O LEU A 59 4.164 2.044 -5.272 1.00 0.00 O ATOM 926 CB LEU A 59 3.004 3.820 -3.025 1.00 0.00 C ATOM 927 CG LEU A 59 3.299 4.521 -1.692 1.00 0.00 C ATOM 928 CD1 LEU A 59 2.267 4.135 -0.643 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.695 4.173 -1.198 1.00 0.00 C ATOM 0 H LEU A 59 2.875 5.973 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 59 4.980 4.083 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.985 4.063 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.041 2.743 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 59 3.245 5.597 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.494 4.642 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.274 4.429 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.292 3.056 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.883 4.681 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.772 3.095 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.432 4.493 -1.934 1.00 0.00 H new ATOM 941 N GLY A 60 3.066 3.654 -6.388 1.00 0.00 N ATOM 942 CA GLY A 60 2.920 2.854 -7.591 1.00 0.00 C ATOM 943 C GLY A 60 1.596 2.114 -7.663 1.00 0.00 C ATOM 944 O GLY A 60 1.212 1.617 -8.724 1.00 0.00 O ATOM 0 H GLY A 60 2.614 4.568 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.015 3.501 -8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.735 2.132 -7.640 1.00 0.00 H new ATOM 948 N ALA A 61 0.884 2.056 -6.549 1.00 0.00 N ATOM 949 CA ALA A 61 -0.358 1.302 -6.485 1.00 0.00 C ATOM 950 C ALA A 61 -1.543 2.132 -6.964 1.00 0.00 C ATOM 951 O ALA A 61 -2.338 2.625 -6.168 1.00 0.00 O ATOM 952 CB ALA A 61 -0.607 0.796 -5.075 1.00 0.00 C ATOM 0 H ALA A 61 1.144 2.521 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.255 0.447 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.541 0.235 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.215 0.147 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.673 1.642 -4.391 1.00 0.00 H new ATOM 958 N THR A 62 -1.641 2.305 -8.268 1.00 0.00 N ATOM 959 CA THR A 62 -2.773 2.989 -8.871 1.00 0.00 C ATOM 960 C THR A 62 -2.961 2.463 -10.293 1.00 0.00 C ATOM 961 O THR A 62 -2.182 1.620 -10.734 1.00 0.00 O ATOM 962 CB THR A 62 -2.559 4.526 -8.889 1.00 0.00 C ATOM 963 OG1 THR A 62 -2.034 4.961 -7.630 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.864 5.268 -9.151 1.00 0.00 C ATOM 0 H THR A 62 -0.944 1.978 -8.937 1.00 0.00 H new ATOM 0 HA THR A 62 -3.666 2.792 -8.278 1.00 0.00 H new ATOM 0 HB THR A 62 -1.857 4.749 -9.693 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.077 4.753 -7.585 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.677 6.342 -9.157 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.267 4.965 -10.117 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.582 5.029 -8.367 1.00 0.00 H new ATOM 972 N LYS A 63 -3.989 2.915 -10.999 1.00 0.00 N ATOM 973 CA LYS A 63 -4.157 2.544 -12.398 1.00 0.00 C ATOM 974 C LYS A 63 -2.983 3.079 -13.208 1.00 0.00 C ATOM 975 O LYS A 63 -2.491 2.426 -14.130 1.00 0.00 O ATOM 976 CB LYS A 63 -5.471 3.092 -12.946 1.00 0.00 C ATOM 977 CG LYS A 63 -6.693 2.605 -12.186 1.00 0.00 C ATOM 978 CD LYS A 63 -7.973 3.210 -12.739 1.00 0.00 C ATOM 979 CE LYS A 63 -8.266 2.725 -14.149 1.00 0.00 C ATOM 980 NZ LYS A 63 -8.502 1.258 -14.193 1.00 0.00 N ATOM 0 H LYS A 63 -4.712 3.533 -10.631 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.185 1.457 -12.476 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.443 4.181 -12.914 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.566 2.806 -13.994 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.749 1.518 -12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.593 2.863 -11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.807 2.954 -12.086 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.890 4.297 -12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.142 3.245 -14.537 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.430 2.978 -14.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.926 1.002 -15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.598 0.757 -14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.148 0.987 -13.424 1.00 0.00 H new ATOM 994 N ASP A 64 -2.542 4.273 -12.841 1.00 0.00 N ATOM 995 CA ASP A 64 -1.361 4.883 -13.435 1.00 0.00 C ATOM 996 C ASP A 64 -0.137 4.532 -12.593 1.00 0.00 C ATOM 997 O ASP A 64 -0.112 3.490 -11.933 1.00 0.00 O ATOM 998 CB ASP A 64 -1.522 6.408 -13.488 1.00 0.00 C ATOM 999 CG ASP A 64 -2.783 6.857 -14.199 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -2.784 6.924 -15.445 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -3.771 7.175 -13.507 1.00 0.00 O ATOM 0 H ASP A 64 -2.991 4.845 -12.126 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.236 4.505 -14.450 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.528 6.801 -12.471 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.657 6.840 -13.991 1.00 0.00 H new ATOM 1006 N ALA A 65 0.870 5.404 -12.629 1.00 0.00 N ATOM 1007 CA ALA A 65 2.050 5.292 -11.769 1.00 0.00 C ATOM 1008 C ALA A 65 2.930 4.104 -12.149 1.00 0.00 C ATOM 1009 O ALA A 65 2.802 3.538 -13.236 1.00 0.00 O ATOM 1010 CB ALA A 65 1.641 5.212 -10.302 1.00 0.00 C ATOM 0 H ALA A 65 0.892 6.209 -13.255 1.00 0.00 H new ATOM 0 HA ALA A 65 2.644 6.193 -11.919 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.532 5.129 -9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.090 6.112 -10.028 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.008 4.338 -10.148 1.00 0.00 H new ATOM 1016 N ALA A 66 3.834 3.744 -11.247 1.00 0.00 N ATOM 1017 CA ALA A 66 4.803 2.688 -11.496 1.00 0.00 C ATOM 1018 C ALA A 66 4.233 1.315 -11.163 1.00 0.00 C ATOM 1019 O ALA A 66 3.743 1.084 -10.059 1.00 0.00 O ATOM 1020 CB ALA A 66 6.055 2.946 -10.684 1.00 0.00 C ATOM 0 H ALA A 66 3.915 4.175 -10.326 1.00 0.00 H new ATOM 0 HA ALA A 66 5.048 2.694 -12.558 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.780 2.154 -10.872 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.484 3.906 -10.972 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.804 2.964 -9.624 1.00 0.00 H new ATOM 1026 N THR A 67 4.309 0.404 -12.118 1.00 0.00 N ATOM 1027 CA THR A 67 3.757 -0.928 -11.945 1.00 0.00 C ATOM 1028 C THR A 67 4.748 -1.875 -11.267 1.00 0.00 C ATOM 1029 O THR A 67 4.351 -2.891 -10.696 1.00 0.00 O ATOM 1030 CB THR A 67 3.332 -1.524 -13.298 1.00 0.00 C ATOM 1031 OG1 THR A 67 4.444 -1.544 -14.203 1.00 0.00 O ATOM 1032 CG2 THR A 67 2.195 -0.724 -13.911 1.00 0.00 C ATOM 0 H THR A 67 4.749 0.564 -13.024 1.00 0.00 H new ATOM 0 HA THR A 67 2.884 -0.824 -11.300 1.00 0.00 H new ATOM 0 HB THR A 67 2.988 -2.543 -13.122 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.162 -1.927 -15.060 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.913 -1.166 -14.867 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.337 -0.737 -13.238 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.518 0.305 -14.068 1.00 0.00 H new ATOM 1040 N LYS A 68 6.036 -1.549 -11.324 1.00 0.00 N ATOM 1041 CA LYS A 68 7.057 -2.448 -10.796 1.00 0.00 C ATOM 1042 C LYS A 68 7.191 -2.309 -9.281 1.00 0.00 C ATOM 1043 O LYS A 68 7.262 -3.309 -8.569 1.00 0.00 O ATOM 1044 CB LYS A 68 8.408 -2.210 -11.475 1.00 0.00 C ATOM 1045 CG LYS A 68 9.452 -3.256 -11.115 1.00 0.00 C ATOM 1046 CD LYS A 68 9.002 -4.649 -11.530 1.00 0.00 C ATOM 1047 CE LYS A 68 9.957 -5.726 -11.036 1.00 0.00 C ATOM 1048 NZ LYS A 68 11.326 -5.562 -11.592 1.00 0.00 N ATOM 0 H LYS A 68 6.394 -0.682 -11.724 1.00 0.00 H new ATOM 0 HA LYS A 68 6.737 -3.467 -11.016 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.268 -2.203 -12.556 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.779 -1.224 -11.195 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.396 -3.015 -11.604 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.636 -3.235 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.004 -4.840 -11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.930 -4.698 -12.617 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.003 -5.696 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.570 -6.707 -11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.914 -6.372 -11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.276 -5.514 -12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.747 -4.685 -11.225 1.00 0.00 H new ATOM 1062 N ILE A 69 7.221 -1.075 -8.788 1.00 0.00 N ATOM 1063 CA ILE A 69 7.290 -0.835 -7.347 1.00 0.00 C ATOM 1064 C ILE A 69 6.035 -1.376 -6.654 1.00 0.00 C ATOM 1065 O ILE A 69 6.058 -1.717 -5.471 1.00 0.00 O ATOM 1066 CB ILE A 69 7.477 0.667 -7.021 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.635 0.874 -5.509 1.00 0.00 C ATOM 1068 CG2 ILE A 69 6.313 1.481 -7.559 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.887 2.314 -5.110 1.00 0.00 C ATOM 0 H ILE A 69 7.199 -0.230 -9.359 1.00 0.00 H new ATOM 0 HA ILE A 69 8.164 -1.366 -6.969 1.00 0.00 H new ATOM 0 HB ILE A 69 8.387 1.014 -7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.734 0.521 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.461 0.258 -5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.464 2.534 -7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.253 1.360 -8.641 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.385 1.134 -7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.988 2.379 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.804 2.667 -5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.051 2.933 -5.435 1.00 0.00 H new ATOM 1081 N LEU A 70 4.948 -1.475 -7.412 1.00 0.00 N ATOM 1082 CA LEU A 70 3.720 -2.078 -6.917 1.00 0.00 C ATOM 1083 C LEU A 70 3.999 -3.528 -6.519 1.00 0.00 C ATOM 1084 O LEU A 70 3.589 -3.984 -5.449 1.00 0.00 O ATOM 1085 CB LEU A 70 2.642 -2.007 -8.007 1.00 0.00 C ATOM 1086 CG LEU A 70 1.186 -2.033 -7.527 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.248 -1.811 -8.697 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.853 -3.345 -6.838 1.00 0.00 C ATOM 0 H LEU A 70 4.895 -1.143 -8.375 1.00 0.00 H new ATOM 0 HA LEU A 70 3.361 -1.538 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.796 -1.094 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.792 -2.843 -8.691 1.00 0.00 H new ATOM 0 HG LEU A 70 1.058 -1.229 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.784 -1.831 -8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.457 -0.843 -9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.395 -2.599 -9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.186 -3.330 -6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.002 -4.170 -7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.504 -3.478 -5.974 1.00 0.00 H new ATOM 1100 N SER A 71 4.736 -4.228 -7.378 1.00 0.00 N ATOM 1101 CA SER A 71 5.116 -5.612 -7.127 1.00 0.00 C ATOM 1102 C SER A 71 6.065 -5.711 -5.940 1.00 0.00 C ATOM 1103 O SER A 71 6.238 -6.780 -5.363 1.00 0.00 O ATOM 1104 CB SER A 71 5.773 -6.209 -8.368 1.00 0.00 C ATOM 1105 OG SER A 71 4.945 -6.046 -9.506 1.00 0.00 O ATOM 0 H SER A 71 5.083 -3.854 -8.261 1.00 0.00 H new ATOM 0 HA SER A 71 4.212 -6.175 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.736 -5.728 -8.542 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.971 -7.269 -8.206 1.00 0.00 H new ATOM 0 HG SER A 71 5.386 -6.434 -10.290 1.00 0.00 H new ATOM 1111 N GLU A 72 6.692 -4.604 -5.579 1.00 0.00 N ATOM 1112 CA GLU A 72 7.528 -4.585 -4.399 1.00 0.00 C ATOM 1113 C GLU A 72 6.659 -4.652 -3.157 1.00 0.00 C ATOM 1114 O GLU A 72 6.785 -5.576 -2.367 1.00 0.00 O ATOM 1115 CB GLU A 72 8.412 -3.339 -4.367 1.00 0.00 C ATOM 1116 CG GLU A 72 9.614 -3.425 -5.291 1.00 0.00 C ATOM 1117 CD GLU A 72 10.562 -4.537 -4.890 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.352 -4.336 -3.938 1.00 0.00 O ATOM 1119 OE2 GLU A 72 10.519 -5.619 -5.514 1.00 0.00 O ATOM 0 H GLU A 72 6.637 -3.718 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 72 8.184 -5.455 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.813 -2.471 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.759 -3.176 -3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.274 -3.590 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.147 -2.474 -5.282 1.00 0.00 H new ATOM 1126 N VAL A 73 5.729 -3.710 -3.039 1.00 0.00 N ATOM 1127 CA VAL A 73 4.882 -3.590 -1.851 1.00 0.00 C ATOM 1128 C VAL A 73 4.102 -4.879 -1.572 1.00 0.00 C ATOM 1129 O VAL A 73 4.057 -5.358 -0.432 1.00 0.00 O ATOM 1130 CB VAL A 73 3.889 -2.415 -1.995 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.056 -2.246 -0.732 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.627 -1.127 -2.325 1.00 0.00 C ATOM 0 H VAL A 73 5.540 -3.011 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 73 5.549 -3.401 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 73 3.212 -2.645 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.366 -1.412 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.491 -3.159 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.714 -2.045 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.910 -0.312 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.332 -0.897 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.168 -1.248 -3.263 1.00 0.00 H new ATOM 1142 N THR A 74 3.518 -5.450 -2.621 1.00 0.00 N ATOM 1143 CA THR A 74 2.662 -6.623 -2.483 1.00 0.00 C ATOM 1144 C THR A 74 3.366 -7.775 -1.771 1.00 0.00 C ATOM 1145 O THR A 74 2.736 -8.515 -1.014 1.00 0.00 O ATOM 1146 CB THR A 74 2.166 -7.117 -3.857 1.00 0.00 C ATOM 1147 OG1 THR A 74 3.275 -7.260 -4.753 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.151 -6.157 -4.451 1.00 0.00 C ATOM 0 H THR A 74 3.623 -5.118 -3.580 1.00 0.00 H new ATOM 0 HA THR A 74 1.813 -6.306 -1.877 1.00 0.00 H new ATOM 0 HB THR A 74 1.682 -8.083 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.954 -7.575 -5.623 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.819 -6.531 -5.419 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.295 -6.073 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.609 -5.176 -4.579 1.00 0.00 H new ATOM 1156 N ARG A 75 4.671 -7.915 -1.987 1.00 0.00 N ATOM 1157 CA ARG A 75 5.393 -9.066 -1.461 1.00 0.00 C ATOM 1158 C ARG A 75 5.448 -9.054 0.076 1.00 0.00 C ATOM 1159 O ARG A 75 5.007 -10.017 0.708 1.00 0.00 O ATOM 1160 CB ARG A 75 6.800 -9.162 -2.066 1.00 0.00 C ATOM 1161 CG ARG A 75 6.883 -10.070 -3.289 1.00 0.00 C ATOM 1162 CD ARG A 75 6.008 -9.580 -4.432 1.00 0.00 C ATOM 1163 NE ARG A 75 6.065 -10.475 -5.588 1.00 0.00 N ATOM 1164 CZ ARG A 75 6.565 -10.136 -6.775 1.00 0.00 C ATOM 1165 NH1 ARG A 75 7.157 -8.961 -6.941 1.00 0.00 N ATOM 1166 NH2 ARG A 75 6.494 -10.986 -7.788 1.00 0.00 N ATOM 0 H ARG A 75 5.242 -7.255 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 75 4.839 -9.957 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.135 -8.163 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.488 -9.529 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.918 -10.128 -3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.581 -11.080 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.977 -9.496 -4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.327 -8.581 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 75 5.698 -11.420 -5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.231 -8.312 -6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.538 -8.706 -7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.057 -11.898 -7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.876 -10.728 -8.698 1.00 0.00 H new ATOM 1180 N PRO A 76 5.971 -7.984 0.720 1.00 0.00 N ATOM 1181 CA PRO A 76 6.005 -7.909 2.182 1.00 0.00 C ATOM 1182 C PRO A 76 4.622 -7.836 2.804 1.00 0.00 C ATOM 1183 O PRO A 76 4.410 -8.315 3.916 1.00 0.00 O ATOM 1184 CB PRO A 76 6.782 -6.625 2.476 1.00 0.00 C ATOM 1185 CG PRO A 76 6.697 -5.826 1.228 1.00 0.00 C ATOM 1186 CD PRO A 76 6.629 -6.821 0.108 1.00 0.00 C ATOM 0 HA PRO A 76 6.461 -8.804 2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.349 -6.087 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.818 -6.842 2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.816 -5.184 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.565 -5.175 1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.058 -6.436 -0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.621 -7.072 -0.266 1.00 0.00 H new ATOM 1194 N MET A 77 3.681 -7.249 2.079 1.00 0.00 N ATOM 1195 CA MET A 77 2.314 -7.125 2.566 1.00 0.00 C ATOM 1196 C MET A 77 1.638 -8.484 2.656 1.00 0.00 C ATOM 1197 O MET A 77 0.594 -8.620 3.276 1.00 0.00 O ATOM 1198 CB MET A 77 1.501 -6.195 1.668 1.00 0.00 C ATOM 1199 CG MET A 77 1.849 -4.731 1.853 1.00 0.00 C ATOM 1200 SD MET A 77 1.585 -4.177 3.546 1.00 0.00 S ATOM 1201 CE MET A 77 1.980 -2.442 3.394 1.00 0.00 C ATOM 0 H MET A 77 3.838 -6.852 1.153 1.00 0.00 H new ATOM 0 HA MET A 77 2.358 -6.696 3.567 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.664 -6.472 0.626 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.440 -6.338 1.873 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.891 -4.570 1.578 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.244 -4.127 1.177 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.587 -2.131 4.244 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.535 -2.275 2.471 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.059 -1.860 3.374 1.00 0.00 H new ATOM 1211 N SER A 78 2.239 -9.485 2.034 1.00 0.00 N ATOM 1212 CA SER A 78 1.680 -10.826 2.028 1.00 0.00 C ATOM 1213 C SER A 78 1.949 -11.550 3.348 1.00 0.00 C ATOM 1214 O SER A 78 1.319 -12.570 3.641 1.00 0.00 O ATOM 1215 CB SER A 78 2.274 -11.622 0.865 1.00 0.00 C ATOM 1216 OG SER A 78 1.738 -12.934 0.802 1.00 0.00 O ATOM 0 H SER A 78 3.118 -9.393 1.525 1.00 0.00 H new ATOM 0 HA SER A 78 0.600 -10.745 1.906 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.075 -11.102 -0.072 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.357 -11.676 0.976 1.00 0.00 H new ATOM 0 HG SER A 78 2.137 -13.415 0.047 1.00 0.00 H new ATOM 1222 N VAL A 79 2.874 -11.023 4.142 1.00 0.00 N ATOM 1223 CA VAL A 79 3.301 -11.682 5.371 1.00 0.00 C ATOM 1224 C VAL A 79 3.608 -10.668 6.468 1.00 0.00 C ATOM 1225 O VAL A 79 3.292 -9.487 6.343 1.00 0.00 O ATOM 1226 CB VAL A 79 4.551 -12.561 5.131 1.00 0.00 C ATOM 1227 CG1 VAL A 79 4.177 -13.855 4.427 1.00 0.00 C ATOM 1228 CG2 VAL A 79 5.597 -11.801 4.327 1.00 0.00 C ATOM 0 H VAL A 79 3.344 -10.137 3.956 1.00 0.00 H new ATOM 0 HA VAL A 79 2.474 -12.315 5.692 1.00 0.00 H new ATOM 0 HB VAL A 79 4.977 -12.812 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.073 -14.456 4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.470 -14.412 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.720 -13.626 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.468 -12.437 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.177 -11.515 3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.896 -10.906 4.873 1.00 0.00 H new ATOM 1238 N HIS A 80 4.214 -11.136 7.549 1.00 0.00 N ATOM 1239 CA HIS A 80 4.581 -10.269 8.657 1.00 0.00 C ATOM 1240 C HIS A 80 5.981 -9.720 8.423 1.00 0.00 C ATOM 1241 O HIS A 80 6.976 -10.399 8.678 1.00 0.00 O ATOM 1242 CB HIS A 80 4.513 -11.040 9.978 1.00 0.00 C ATOM 1243 CG HIS A 80 4.699 -10.187 11.195 1.00 0.00 C ATOM 1244 ND1 HIS A 80 3.670 -9.496 11.790 1.00 0.00 N ATOM 1245 CD2 HIS A 80 5.801 -9.926 11.936 1.00 0.00 C ATOM 1246 CE1 HIS A 80 4.129 -8.848 12.842 1.00 0.00 C ATOM 1247 NE2 HIS A 80 5.421 -9.092 12.956 1.00 0.00 N ATOM 0 H HIS A 80 4.463 -12.116 7.682 1.00 0.00 H new ATOM 0 HA HIS A 80 3.880 -9.437 8.717 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.548 -11.542 10.044 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.277 -11.817 9.972 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.796 -10.305 11.757 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.545 -8.222 13.501 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.035 -8.722 13.682 1.00 0.00 H new ATOM 1256 N MET A 81 6.054 -8.490 7.932 1.00 0.00 N ATOM 1257 CA MET A 81 7.320 -7.937 7.478 1.00 0.00 C ATOM 1258 C MET A 81 7.538 -6.490 7.938 1.00 0.00 C ATOM 1259 O MET A 81 6.637 -5.849 8.479 1.00 0.00 O ATOM 1260 CB MET A 81 7.402 -8.032 5.946 1.00 0.00 C ATOM 1261 CG MET A 81 7.986 -9.352 5.469 1.00 0.00 C ATOM 1262 SD MET A 81 8.380 -9.368 3.708 1.00 0.00 S ATOM 1263 CE MET A 81 9.678 -8.133 3.636 1.00 0.00 C ATOM 0 H MET A 81 5.257 -7.861 7.839 1.00 0.00 H new ATOM 0 HA MET A 81 8.116 -8.528 7.931 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.404 -7.908 5.525 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.012 -7.212 5.568 1.00 0.00 H new ATOM 0 HG2 MET A 81 8.891 -9.567 6.038 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.277 -10.152 5.682 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.037 -8.042 2.611 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.285 -7.172 3.969 1.00 0.00 H new ATOM 0 HE3 MET A 81 10.502 -8.433 4.284 1.00 0.00 H new ATOM 1273 N PRO A 82 8.786 -6.002 7.732 1.00 0.00 N ATOM 1274 CA PRO A 82 9.287 -4.638 8.021 1.00 0.00 C ATOM 1275 C PRO A 82 8.386 -3.445 7.666 1.00 0.00 C ATOM 1276 O PRO A 82 8.808 -2.319 7.877 1.00 0.00 O ATOM 1277 CB PRO A 82 10.593 -4.537 7.212 1.00 0.00 C ATOM 1278 CG PRO A 82 10.694 -5.808 6.444 1.00 0.00 C ATOM 1279 CD PRO A 82 9.907 -6.809 7.225 1.00 0.00 C ATOM 0 HA PRO A 82 9.374 -4.548 9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.573 -3.677 6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.452 -4.409 7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.292 -5.691 5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.733 -6.121 6.338 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.564 -7.634 6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.493 -7.245 8.034 1.00 0.00 H new ATOM 1287 N ALA A 83 7.192 -3.697 7.108 1.00 0.00 N ATOM 1288 CA ALA A 83 6.395 -2.720 6.331 1.00 0.00 C ATOM 1289 C ALA A 83 6.446 -1.278 6.832 1.00 0.00 C ATOM 1290 O ALA A 83 6.420 -0.359 6.019 1.00 0.00 O ATOM 1291 CB ALA A 83 4.940 -3.164 6.294 1.00 0.00 C ATOM 0 H ALA A 83 6.738 -4.607 7.183 1.00 0.00 H new ATOM 0 HA ALA A 83 6.854 -2.711 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.354 -2.444 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.871 -4.144 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.551 -3.222 7.311 1.00 0.00 H new ATOM 1297 N MET A 84 6.523 -1.061 8.136 1.00 0.00 N ATOM 1298 CA MET A 84 6.639 0.298 8.648 1.00 0.00 C ATOM 1299 C MET A 84 7.969 0.918 8.224 1.00 0.00 C ATOM 1300 O MET A 84 8.008 1.984 7.608 1.00 0.00 O ATOM 1301 CB MET A 84 6.454 0.336 10.179 1.00 0.00 C ATOM 1302 CG MET A 84 7.538 -0.383 10.976 1.00 0.00 C ATOM 1303 SD MET A 84 6.895 -1.693 12.042 1.00 0.00 S ATOM 1304 CE MET A 84 6.357 -2.898 10.830 1.00 0.00 C ATOM 0 H MET A 84 6.508 -1.791 8.848 1.00 0.00 H new ATOM 0 HA MET A 84 5.838 0.897 8.214 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.418 1.377 10.500 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.489 -0.107 10.425 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.264 -0.811 10.284 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.071 0.344 11.588 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.052 -3.813 11.337 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.514 -2.497 10.267 1.00 0.00 H new ATOM 0 HE3 MET A 84 7.177 -3.118 10.147 1.00 0.00 H new ATOM 1314 N LYS A 85 9.046 0.209 8.484 1.00 0.00 N ATOM 1315 CA LYS A 85 10.371 0.655 8.107 1.00 0.00 C ATOM 1316 C LYS A 85 10.499 0.659 6.592 1.00 0.00 C ATOM 1317 O LYS A 85 11.359 1.335 6.036 1.00 0.00 O ATOM 1318 CB LYS A 85 11.415 -0.273 8.727 1.00 0.00 C ATOM 1319 CG LYS A 85 11.238 -0.429 10.224 1.00 0.00 C ATOM 1320 CD LYS A 85 12.117 -1.527 10.807 1.00 0.00 C ATOM 1321 CE LYS A 85 11.607 -2.910 10.428 1.00 0.00 C ATOM 1322 NZ LYS A 85 12.399 -3.998 11.061 1.00 0.00 N ATOM 0 H LYS A 85 9.029 -0.692 8.962 1.00 0.00 H new ATOM 0 HA LYS A 85 10.535 1.668 8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.353 -1.253 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.412 0.118 8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.471 0.516 10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.193 -0.651 10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.139 -1.404 10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.146 -1.434 11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.563 -3.004 10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.641 -3.023 9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.014 -4.920 10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.391 -3.927 10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.347 -3.909 12.096 1.00 0.00 H new ATOM 1336 N ILE A 86 9.617 -0.084 5.925 1.00 0.00 N ATOM 1337 CA ILE A 86 9.668 -0.199 4.477 1.00 0.00 C ATOM 1338 C ILE A 86 9.414 1.154 3.813 1.00 0.00 C ATOM 1339 O ILE A 86 9.941 1.429 2.737 1.00 0.00 O ATOM 1340 CB ILE A 86 8.689 -1.273 3.926 1.00 0.00 C ATOM 1341 CG1 ILE A 86 9.113 -2.662 4.419 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.638 -1.242 2.401 1.00 0.00 C ATOM 1343 CD1 ILE A 86 8.325 -3.812 3.816 1.00 0.00 C ATOM 0 H ILE A 86 8.863 -0.611 6.366 1.00 0.00 H new ATOM 0 HA ILE A 86 10.676 -0.530 4.226 1.00 0.00 H new ATOM 0 HB ILE A 86 7.688 -1.050 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 86 10.170 -2.806 4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.009 -2.696 5.503 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.945 -2.004 2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.300 -0.260 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.632 -1.439 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.691 -4.756 4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.269 -3.698 4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.448 -3.809 2.733 1.00 0.00 H new ATOM 1355 N CYS A 87 8.647 2.020 4.468 1.00 0.00 N ATOM 1356 CA CYS A 87 8.417 3.356 3.929 1.00 0.00 C ATOM 1357 C CYS A 87 9.703 4.162 3.991 1.00 0.00 C ATOM 1358 O CYS A 87 10.009 4.941 3.089 1.00 0.00 O ATOM 1359 CB CYS A 87 7.296 4.072 4.681 1.00 0.00 C ATOM 1360 SG CYS A 87 6.942 5.765 4.092 1.00 0.00 S ATOM 0 H CYS A 87 8.182 1.827 5.355 1.00 0.00 H new ATOM 0 HA CYS A 87 8.105 3.260 2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.386 3.477 4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.557 4.117 5.738 1.00 0.00 H new ATOM 1365 N GLU A 88 10.476 3.924 5.037 1.00 0.00 N ATOM 1366 CA GLU A 88 11.769 4.562 5.198 1.00 0.00 C ATOM 1367 C GLU A 88 12.736 4.043 4.140 1.00 0.00 C ATOM 1368 O GLU A 88 13.660 4.740 3.716 1.00 0.00 O ATOM 1369 CB GLU A 88 12.303 4.269 6.593 1.00 0.00 C ATOM 1370 CG GLU A 88 11.598 5.039 7.699 1.00 0.00 C ATOM 1371 CD GLU A 88 11.702 6.541 7.523 1.00 0.00 C ATOM 1372 OE1 GLU A 88 12.837 7.067 7.499 1.00 0.00 O ATOM 1373 OE2 GLU A 88 10.657 7.206 7.408 1.00 0.00 O ATOM 0 H GLU A 88 10.226 3.287 5.793 1.00 0.00 H new ATOM 0 HA GLU A 88 11.665 5.640 5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.208 3.201 6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.367 4.505 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.547 4.752 7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.027 4.759 8.661 1.00 0.00 H new ATOM 1380 N LYS A 89 12.499 2.810 3.716 1.00 0.00 N ATOM 1381 CA LYS A 89 13.286 2.181 2.670 1.00 0.00 C ATOM 1382 C LYS A 89 12.912 2.759 1.308 1.00 0.00 C ATOM 1383 O LYS A 89 13.771 3.003 0.461 1.00 0.00 O ATOM 1384 CB LYS A 89 13.050 0.673 2.680 1.00 0.00 C ATOM 1385 CG LYS A 89 13.367 0.026 4.008 1.00 0.00 C ATOM 1386 CD LYS A 89 12.873 -1.405 4.050 1.00 0.00 C ATOM 1387 CE LYS A 89 12.499 -1.802 5.461 1.00 0.00 C ATOM 1388 NZ LYS A 89 13.644 -1.640 6.397 1.00 0.00 N ATOM 0 H LYS A 89 11.756 2.219 4.088 1.00 0.00 H new ATOM 0 HA LYS A 89 14.342 2.378 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.009 0.474 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.661 0.212 1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.443 0.047 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.905 0.597 4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.009 -1.516 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.647 -2.073 3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.661 -1.193 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.164 -2.839 5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.409 -2.076 7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.486 -2.102 5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.838 -0.628 6.536 1.00 0.00 H new ATOM 1402 N LEU A 90 11.616 2.985 1.113 1.00 0.00 N ATOM 1403 CA LEU A 90 11.102 3.530 -0.139 1.00 0.00 C ATOM 1404 C LEU A 90 11.537 4.976 -0.329 1.00 0.00 C ATOM 1405 O LEU A 90 11.636 5.458 -1.454 1.00 0.00 O ATOM 1406 CB LEU A 90 9.575 3.430 -0.181 1.00 0.00 C ATOM 1407 CG LEU A 90 9.021 2.003 -0.200 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.501 2.019 -0.195 1.00 0.00 C ATOM 1409 CD2 LEU A 90 9.544 1.250 -1.414 1.00 0.00 C ATOM 0 H LEU A 90 10.898 2.797 1.812 1.00 0.00 H new ATOM 0 HA LEU A 90 11.518 2.939 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.168 3.950 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.216 3.955 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 90 9.359 1.488 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.126 0.996 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.145 2.524 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.140 2.549 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.142 0.237 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.233 1.764 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.633 1.208 -1.375 1.00 0.00 H new ATOM 1421 N LYS A 91 11.813 5.656 0.779 1.00 0.00 N ATOM 1422 CA LYS A 91 12.295 7.034 0.745 1.00 0.00 C ATOM 1423 C LYS A 91 13.627 7.143 0.010 1.00 0.00 C ATOM 1424 O LYS A 91 13.999 8.218 -0.457 1.00 0.00 O ATOM 1425 CB LYS A 91 12.445 7.573 2.165 1.00 0.00 C ATOM 1426 CG LYS A 91 11.119 7.796 2.868 1.00 0.00 C ATOM 1427 CD LYS A 91 11.298 7.982 4.365 1.00 0.00 C ATOM 1428 CE LYS A 91 12.199 9.160 4.696 1.00 0.00 C ATOM 1429 NZ LYS A 91 12.299 9.374 6.163 1.00 0.00 N ATOM 0 H LYS A 91 11.710 5.272 1.719 1.00 0.00 H new ATOM 0 HA LYS A 91 11.559 7.629 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.045 6.875 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.993 8.514 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.629 8.675 2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.462 6.946 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.323 8.131 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.720 7.073 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.193 8.986 4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.811 10.061 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.762 10.286 6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.346 9.378 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.859 8.608 6.588 1.00 0.00 H new ATOM 1443 N LYS A 92 14.339 6.025 -0.085 1.00 0.00 N ATOM 1444 CA LYS A 92 15.608 5.984 -0.799 1.00 0.00 C ATOM 1445 C LYS A 92 15.370 5.974 -2.305 1.00 0.00 C ATOM 1446 O LYS A 92 16.244 6.342 -3.089 1.00 0.00 O ATOM 1447 CB LYS A 92 16.414 4.756 -0.379 1.00 0.00 C ATOM 1448 CG LYS A 92 16.757 4.744 1.100 1.00 0.00 C ATOM 1449 CD LYS A 92 17.558 3.514 1.480 1.00 0.00 C ATOM 1450 CE LYS A 92 17.957 3.546 2.945 1.00 0.00 C ATOM 1451 NZ LYS A 92 18.752 2.353 3.333 1.00 0.00 N ATOM 0 H LYS A 92 14.057 5.134 0.325 1.00 0.00 H new ATOM 0 HA LYS A 92 16.179 6.877 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.847 3.857 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.336 4.718 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.326 5.640 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.839 4.776 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.970 2.618 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 92 18.452 3.453 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 92 18.537 4.448 3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.061 3.601 3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 19.003 2.416 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.190 1.493 3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 19.620 2.314 2.762 1.00 0.00 H new ATOM 1465 N LEU A 93 14.177 5.551 -2.700 1.00 0.00 N ATOM 1466 CA LEU A 93 13.778 5.568 -4.099 1.00 0.00 C ATOM 1467 C LEU A 93 13.112 6.901 -4.406 1.00 0.00 C ATOM 1468 O LEU A 93 13.501 7.614 -5.331 1.00 0.00 O ATOM 1469 CB LEU A 93 12.809 4.418 -4.420 1.00 0.00 C ATOM 1470 CG LEU A 93 13.397 2.999 -4.390 1.00 0.00 C ATOM 1471 CD1 LEU A 93 13.718 2.560 -2.969 1.00 0.00 C ATOM 1472 CD2 LEU A 93 12.432 2.019 -5.043 1.00 0.00 C ATOM 0 H LEU A 93 13.465 5.190 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 93 14.667 5.437 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.982 4.460 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.388 4.592 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 93 14.331 3.009 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.132 1.552 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.445 3.244 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.807 2.569 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.858 1.016 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.486 2.025 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.260 2.313 -6.078 1.00 0.00 H new ATOM 1484 N ASP A 94 12.113 7.230 -3.601 1.00 0.00 N ATOM 1485 CA ASP A 94 11.395 8.488 -3.723 1.00 0.00 C ATOM 1486 C ASP A 94 11.145 9.065 -2.336 1.00 0.00 C ATOM 1487 O ASP A 94 10.435 8.470 -1.525 1.00 0.00 O ATOM 1488 CB ASP A 94 10.068 8.276 -4.456 1.00 0.00 C ATOM 1489 CG ASP A 94 9.304 9.568 -4.672 1.00 0.00 C ATOM 1490 OD1 ASP A 94 8.723 10.087 -3.703 1.00 0.00 O ATOM 1491 OD2 ASP A 94 9.285 10.066 -5.821 1.00 0.00 O ATOM 0 H ASP A 94 11.778 6.632 -2.845 1.00 0.00 H new ATOM 0 HA ASP A 94 11.997 9.189 -4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.262 7.808 -5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.449 7.584 -3.885 1.00 0.00 H new ATOM 1496 N SER A 95 11.747 10.208 -2.054 1.00 0.00 N ATOM 1497 CA SER A 95 11.616 10.828 -0.744 1.00 0.00 C ATOM 1498 C SER A 95 10.323 11.636 -0.638 1.00 0.00 C ATOM 1499 O SER A 95 9.883 11.982 0.461 1.00 0.00 O ATOM 1500 CB SER A 95 12.824 11.720 -0.475 1.00 0.00 C ATOM 1501 OG SER A 95 14.033 10.982 -0.571 1.00 0.00 O ATOM 0 H SER A 95 12.330 10.725 -2.712 1.00 0.00 H new ATOM 0 HA SER A 95 11.575 10.039 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.839 12.543 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.741 12.161 0.518 1.00 0.00 H new ATOM 0 HG SER A 95 13.837 10.024 -0.511 1.00 0.00 H new ATOM 1507 N GLN A 96 9.705 11.908 -1.781 1.00 0.00 N ATOM 1508 CA GLN A 96 8.490 12.708 -1.826 1.00 0.00 C ATOM 1509 C GLN A 96 7.357 11.970 -1.127 1.00 0.00 C ATOM 1510 O GLN A 96 6.515 12.587 -0.477 1.00 0.00 O ATOM 1511 CB GLN A 96 8.092 13.037 -3.272 1.00 0.00 C ATOM 1512 CG GLN A 96 9.036 13.997 -3.994 1.00 0.00 C ATOM 1513 CD GLN A 96 10.443 13.452 -4.162 1.00 0.00 C ATOM 1514 OE1 GLN A 96 11.317 13.683 -3.326 1.00 0.00 O ATOM 1515 NE2 GLN A 96 10.665 12.706 -5.229 1.00 0.00 N ATOM 0 H GLN A 96 10.028 11.584 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 96 8.683 13.648 -1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.038 12.108 -3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.091 13.468 -3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.625 14.228 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.082 14.934 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.914 12.538 -5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.587 12.298 -5.383 1.00 0.00 H new ATOM 1524 N ILE A 97 7.368 10.645 -1.263 1.00 0.00 N ATOM 1525 CA ILE A 97 6.405 9.765 -0.596 1.00 0.00 C ATOM 1526 C ILE A 97 6.270 10.106 0.888 1.00 0.00 C ATOM 1527 O ILE A 97 5.168 10.142 1.440 1.00 0.00 O ATOM 1528 CB ILE A 97 6.841 8.284 -0.708 1.00 0.00 C ATOM 1529 CG1 ILE A 97 6.973 7.865 -2.171 1.00 0.00 C ATOM 1530 CG2 ILE A 97 5.853 7.378 0.010 1.00 0.00 C ATOM 1531 CD1 ILE A 97 7.535 6.471 -2.359 1.00 0.00 C ATOM 0 H ILE A 97 8.046 10.148 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 97 5.448 9.915 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 97 7.816 8.184 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.993 7.918 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.615 8.578 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 97 6.178 6.341 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.807 7.653 1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.865 7.489 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.599 6.245 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.530 6.417 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.881 5.747 -1.873 1.00 0.00 H new ATOM 1543 N CYS A 98 7.400 10.371 1.521 1.00 0.00 N ATOM 1544 CA CYS A 98 7.440 10.564 2.959 1.00 0.00 C ATOM 1545 C CYS A 98 6.827 11.895 3.370 1.00 0.00 C ATOM 1546 O CYS A 98 6.066 11.963 4.337 1.00 0.00 O ATOM 1547 CB CYS A 98 8.879 10.491 3.458 1.00 0.00 C ATOM 1548 SG CYS A 98 9.027 10.475 5.271 1.00 0.00 S ATOM 0 H CYS A 98 8.305 10.458 1.059 1.00 0.00 H new ATOM 0 HA CYS A 98 6.850 9.767 3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.348 9.593 3.057 1.00 0.00 H new ATOM 0 HB3 CYS A 98 9.434 11.343 3.065 1.00 0.00 H new ATOM 1553 N GLU A 99 7.135 12.944 2.621 1.00 0.00 N ATOM 1554 CA GLU A 99 6.758 14.297 3.012 1.00 0.00 C ATOM 1555 C GLU A 99 5.314 14.626 2.659 1.00 0.00 C ATOM 1556 O GLU A 99 4.917 15.791 2.670 1.00 0.00 O ATOM 1557 CB GLU A 99 7.706 15.315 2.389 1.00 0.00 C ATOM 1558 CG GLU A 99 9.074 15.330 3.044 1.00 0.00 C ATOM 1559 CD GLU A 99 8.995 15.665 4.519 1.00 0.00 C ATOM 1560 OE1 GLU A 99 8.927 16.865 4.858 1.00 0.00 O ATOM 1561 OE2 GLU A 99 8.996 14.729 5.349 1.00 0.00 O ATOM 0 H GLU A 99 7.645 12.886 1.739 1.00 0.00 H new ATOM 0 HA GLU A 99 6.839 14.350 4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.820 15.095 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.263 16.308 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.546 14.356 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.709 16.059 2.540 1.00 0.00 H new ATOM 1568 N LEU A 100 4.532 13.609 2.343 1.00 0.00 N ATOM 1569 CA LEU A 100 3.103 13.796 2.196 1.00 0.00 C ATOM 1570 C LEU A 100 2.448 13.773 3.566 1.00 0.00 C ATOM 1571 O LEU A 100 2.507 12.771 4.287 1.00 0.00 O ATOM 1572 CB LEU A 100 2.476 12.733 1.289 1.00 0.00 C ATOM 1573 CG LEU A 100 2.247 13.170 -0.162 1.00 0.00 C ATOM 1574 CD1 LEU A 100 3.565 13.422 -0.873 1.00 0.00 C ATOM 1575 CD2 LEU A 100 1.424 12.132 -0.908 1.00 0.00 C ATOM 0 H LEU A 100 4.859 12.656 2.185 1.00 0.00 H new ATOM 0 HA LEU A 100 2.935 14.763 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.118 11.852 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.520 12.431 1.716 1.00 0.00 H new ATOM 0 HG LEU A 100 1.691 14.107 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.371 13.731 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.113 14.209 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.158 12.508 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.271 12.459 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.952 11.178 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.458 12.013 -0.418 1.00 0.00 H new ATOM 1587 N LYS A 101 1.867 14.899 3.934 1.00 0.00 N ATOM 1588 CA LYS A 101 1.135 15.024 5.178 1.00 0.00 C ATOM 1589 C LYS A 101 -0.320 15.320 4.854 1.00 0.00 C ATOM 1590 O LYS A 101 -0.613 15.936 3.828 1.00 0.00 O ATOM 1591 CB LYS A 101 1.725 16.155 6.034 1.00 0.00 C ATOM 1592 CG LYS A 101 3.215 15.999 6.320 1.00 0.00 C ATOM 1593 CD LYS A 101 3.504 14.763 7.157 1.00 0.00 C ATOM 1594 CE LYS A 101 4.995 14.460 7.230 1.00 0.00 C ATOM 1595 NZ LYS A 101 5.774 15.576 7.831 1.00 0.00 N ATOM 0 H LYS A 101 1.890 15.753 3.377 1.00 0.00 H new ATOM 0 HA LYS A 101 1.210 14.095 5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.560 17.106 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.186 16.201 6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.761 15.936 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.579 16.884 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.114 14.908 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.980 13.907 6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.150 13.555 7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.371 14.257 6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.771 15.295 7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.705 16.416 7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.392 15.799 8.772 1.00 0.00 H new ATOM 1609 N TYR A 102 -1.226 14.879 5.710 1.00 0.00 N ATOM 1610 CA TYR A 102 -2.643 15.146 5.516 1.00 0.00 C ATOM 1611 C TYR A 102 -2.926 16.614 5.793 1.00 0.00 C ATOM 1612 O TYR A 102 -1.999 17.411 5.962 1.00 0.00 O ATOM 1613 CB TYR A 102 -3.496 14.280 6.448 1.00 0.00 C ATOM 1614 CG TYR A 102 -3.393 12.794 6.193 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -4.144 12.189 5.195 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.552 11.998 6.956 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -4.055 10.831 4.963 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.458 10.641 6.730 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.210 10.063 5.733 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.118 8.712 5.507 1.00 0.00 O ATOM 0 H TYR A 102 -1.007 14.335 6.545 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.901 14.904 4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.203 14.480 7.479 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.539 14.581 6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.808 12.789 4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.961 12.448 7.740 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.645 10.374 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.798 10.035 7.332 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.531 8.548 4.740 1.00 0.00 H new ATOM 1630 N GLU A 103 -4.197 16.981 5.831 1.00 0.00 N ATOM 1631 CA GLU A 103 -4.567 18.311 6.277 1.00 0.00 C ATOM 1632 C GLU A 103 -4.004 18.498 7.676 1.00 0.00 C ATOM 1633 O GLU A 103 -3.247 19.437 7.922 1.00 0.00 O ATOM 1634 CB GLU A 103 -6.085 18.486 6.270 1.00 0.00 C ATOM 1635 CG GLU A 103 -6.723 18.194 4.920 1.00 0.00 C ATOM 1636 CD GLU A 103 -6.265 19.145 3.832 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -6.901 20.208 3.664 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -5.276 18.834 3.138 1.00 0.00 O ATOM 0 H GLU A 103 -4.979 16.384 5.562 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.159 19.064 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.522 17.827 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.326 19.507 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.486 17.172 4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.807 18.255 5.016 1.00 0.00 H new ATOM 1645 N LYS A 104 -4.363 17.553 8.558 1.00 0.00 N ATOM 1646 CA LYS A 104 -3.757 17.387 9.884 1.00 0.00 C ATOM 1647 C LYS A 104 -4.694 16.594 10.793 1.00 0.00 C ATOM 1648 O LYS A 104 -4.295 16.121 11.859 1.00 0.00 O ATOM 1649 CB LYS A 104 -3.408 18.720 10.550 1.00 0.00 C ATOM 1650 CG LYS A 104 -2.222 18.632 11.502 1.00 0.00 C ATOM 1651 CD LYS A 104 -0.889 18.849 10.783 1.00 0.00 C ATOM 1652 CE LYS A 104 -0.603 17.795 9.714 1.00 0.00 C ATOM 1653 NZ LYS A 104 -0.437 16.434 10.292 1.00 0.00 N ATOM 0 H LYS A 104 -5.096 16.871 8.364 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.824 16.844 9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.189 19.457 9.777 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.278 19.082 11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.334 19.377 12.290 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.218 17.655 11.986 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.890 19.836 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.083 18.842 11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.419 17.783 8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.301 18.069 9.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.512 16.074 10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.552 16.479 11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.155 15.797 9.891 1.00 0.00 H new ATOM 1667 N THR A 105 -5.942 16.458 10.367 1.00 0.00 N ATOM 1668 CA THR A 105 -6.926 15.690 11.108 1.00 0.00 C ATOM 1669 C THR A 105 -7.775 14.853 10.145 1.00 0.00 C ATOM 1670 O THR A 105 -8.742 15.385 9.552 1.00 0.00 O ATOM 1671 CB THR A 105 -7.810 16.608 11.991 1.00 0.00 C ATOM 1672 OG1 THR A 105 -8.888 15.867 12.580 1.00 0.00 O ATOM 1673 CG2 THR A 105 -8.355 17.790 11.202 1.00 0.00 C ATOM 1674 OXT THR A 105 -7.439 13.666 9.946 1.00 0.00 O ATOM 0 H THR A 105 -6.296 16.874 9.506 1.00 0.00 H new ATOM 0 HA THR A 105 -6.400 15.012 11.780 1.00 0.00 H new ATOM 0 HB THR A 105 -7.176 16.998 12.787 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.432 16.465 13.134 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.970 18.410 11.854 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.526 18.382 10.814 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.960 17.425 10.372 1.00 0.00 H new TER 1682 THR A 105