USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 976 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 90 GLN : amide:sc= -1.02 K(o=-5.8,f=-8.3) USER MOD Set 1.2: A 95 HIS :FLIP no HE2:sc= -4.78 F(o=-6.8!,f=-5.8) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 161:sc= -0.019 (180deg=-0.336) USER MOD Set 2.2: A 46 TYR OH : rot 154:sc= -1.09 USER MOD Set 2.3: A 117 THR OG1 : rot 69:sc=0.000738 USER MOD Set 3.1: A 42 MET CE :methyl 142:sc= -4.2! (180deg=-3.77!) USER MOD Set 3.2: A 45 MET CE :methyl -117:sc= -6.55! (180deg=-4.46!) USER MOD Set 4.1: A 9 GLN :FLIP amide:sc= 1.04 F(o=-1.7,f=2.3) USER MOD Set 4.2: A 10 THR OG1 : rot 52:sc= 1.24 USER MOD Single : A 1 CYS N :NH3+ -175:sc= -0.0234 (180deg=-0.0422) USER MOD Single : A 2 THR OG1 : rot 62:sc= 1.17 USER MOD Single : A 7 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.318 F(o=-0.9,f=-0.32) USER MOD Single : A 15 SER OG : rot 150:sc= -2.87! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 30 ASN :FLIP amide:sc= 0.0293 F(o=-2.2!,f=0.029) USER MOD Single : A 31 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.031) USER MOD Single : A 32 THR OG1 : rot 32:sc= 0.0262 USER MOD Single : A 33 THR OG1 : rot 171:sc= -2.78! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -1.76 F(o=-3.4!,f=-1.8) USER MOD Single : A 38 TYR OH : rot -100:sc= 1 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -130:sc= -4.43! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00568 USER MOD Single : A 63 THR OG1 : rot 90:sc= 0.718 USER MOD Single : A 66 MET CE :methyl -144:sc= -4.83! (180deg=-6.93!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 120:sc= -1.48 USER MOD Single : A 74 HIS : no HE2:sc= -10.4! C(o=-10!,f=-11!) USER MOD Single : A 76 SER OG : rot 13:sc= 0.842 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.205 F(o=-1.7!,f=-0.21) USER MOD Single : A 78 ASN :FLIP amide:sc= -4.76! C(o=-5.6!,f=-4.8!) USER MOD Single : A 80 SER OG : rot 180:sc=-0.000771 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 98 THR OG1 : rot -171:sc= -2.33! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.984 X(o=-0.98,f=-1) USER MOD Single : A 107 SER OG : rot -40:sc= 0.0249 USER MOD Single : A 109 SER OG : rot 180:sc= 0.00438 USER MOD Single : A 112 GLN : amide:sc= -2.27! C(o=-2.3!,f=-2.3!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -107:sc= -11.2! USER MOD Single : A 120 TYR OH : rot -36:sc= -3.48! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -8.378 12.545 5.176 1.00 0.00 N ATOM 2 CA CYS A 1 -7.622 11.368 4.646 1.00 0.00 C ATOM 3 C CYS A 1 -6.740 11.720 3.456 1.00 0.00 C ATOM 4 O CYS A 1 -5.831 10.960 3.118 1.00 0.00 O ATOM 5 CB CYS A 1 -8.601 10.287 4.202 1.00 0.00 C ATOM 6 SG CYS A 1 -8.526 8.750 5.177 1.00 0.00 S ATOM 0 H1 CYS A 1 -8.895 12.268 6.035 1.00 0.00 H new ATOM 0 H2 CYS A 1 -7.712 13.311 5.405 1.00 0.00 H new ATOM 0 H3 CYS A 1 -9.053 12.876 4.457 1.00 0.00 H new ATOM 0 HA CYS A 1 -6.981 11.020 5.456 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -9.613 10.687 4.256 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -8.409 10.048 3.156 1.00 0.00 H new ATOM 13 N THR A 2 -7.013 12.838 2.797 1.00 0.00 N ATOM 14 CA THR A 2 -6.228 13.209 1.633 1.00 0.00 C ATOM 15 C THR A 2 -5.106 14.195 1.964 1.00 0.00 C ATOM 16 O THR A 2 -5.277 15.405 1.818 1.00 0.00 O ATOM 17 CB THR A 2 -7.130 13.805 0.551 1.00 0.00 C ATOM 18 OG1 THR A 2 -7.613 15.080 0.950 1.00 0.00 O ATOM 19 CG2 THR A 2 -8.325 12.934 0.216 1.00 0.00 C ATOM 0 H THR A 2 -7.757 13.491 3.043 1.00 0.00 H new ATOM 0 HA THR A 2 -5.762 12.294 1.268 1.00 0.00 H new ATOM 0 HB THR A 2 -6.505 13.882 -0.339 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.857 15.691 1.076 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.921 13.417 -0.558 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.979 11.965 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 2 -8.934 12.793 1.109 1.00 0.00 H new ATOM 27 N CYS A 3 -3.950 13.676 2.379 1.00 0.00 N ATOM 28 CA CYS A 3 -2.796 14.521 2.691 1.00 0.00 C ATOM 29 C CYS A 3 -1.745 14.409 1.593 1.00 0.00 C ATOM 30 O CYS A 3 -1.937 13.714 0.595 1.00 0.00 O ATOM 31 CB CYS A 3 -2.137 14.113 4.017 1.00 0.00 C ATOM 32 SG CYS A 3 -3.250 14.040 5.452 1.00 0.00 S ATOM 0 H CYS A 3 -3.788 12.677 2.507 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.165 15.544 2.769 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.675 13.134 3.887 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.335 14.818 4.236 1.00 0.00 H new ATOM 37 N VAL A 4 -0.616 15.063 1.817 1.00 0.00 N ATOM 38 CA VAL A 4 0.504 15.015 0.885 1.00 0.00 C ATOM 39 C VAL A 4 1.479 13.947 1.370 1.00 0.00 C ATOM 40 O VAL A 4 1.572 13.701 2.573 1.00 0.00 O ATOM 41 CB VAL A 4 1.201 16.397 0.768 1.00 0.00 C ATOM 42 CG1 VAL A 4 1.383 17.040 2.136 1.00 0.00 C ATOM 43 CG2 VAL A 4 2.538 16.313 0.045 1.00 0.00 C ATOM 0 H VAL A 4 -0.449 15.638 2.643 1.00 0.00 H new ATOM 0 HA VAL A 4 0.142 14.763 -0.112 1.00 0.00 H new ATOM 0 HB VAL A 4 0.542 17.025 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.874 18.006 2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.409 17.181 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.997 16.394 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.985 17.306 -0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.205 15.645 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.383 15.928 -0.963 1.00 0.00 H new ATOM 53 N PRO A 5 2.195 13.264 0.460 1.00 0.00 N ATOM 54 CA PRO A 5 3.122 12.198 0.844 1.00 0.00 C ATOM 55 C PRO A 5 3.915 12.538 2.108 1.00 0.00 C ATOM 56 O PRO A 5 4.788 13.406 2.093 1.00 0.00 O ATOM 57 CB PRO A 5 4.021 12.099 -0.383 1.00 0.00 C ATOM 58 CG PRO A 5 3.088 12.377 -1.512 1.00 0.00 C ATOM 59 CD PRO A 5 2.146 13.443 -1.006 1.00 0.00 C ATOM 0 HA PRO A 5 2.621 11.264 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.835 12.823 -0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.476 11.112 -0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.630 12.719 -2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.544 11.478 -1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.470 14.441 -1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.137 13.307 -1.395 1.00 0.00 H new ATOM 67 N PRO A 6 3.593 11.858 3.229 1.00 0.00 N ATOM 68 CA PRO A 6 4.235 12.073 4.523 1.00 0.00 C ATOM 69 C PRO A 6 5.455 11.207 4.741 1.00 0.00 C ATOM 70 O PRO A 6 5.487 10.061 4.293 1.00 0.00 O ATOM 71 CB PRO A 6 3.138 11.695 5.531 1.00 0.00 C ATOM 72 CG PRO A 6 2.043 11.032 4.746 1.00 0.00 C ATOM 73 CD PRO A 6 2.547 10.839 3.340 1.00 0.00 C ATOM 0 HA PRO A 6 4.602 13.095 4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.529 11.023 6.295 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.764 12.580 6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.777 10.074 5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.143 11.646 4.750 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.942 9.835 3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.758 10.987 2.603 1.00 0.00 H new ATOM 81 N HIS A 7 6.479 11.762 5.390 1.00 0.00 N ATOM 82 CA HIS A 7 7.730 11.054 5.625 1.00 0.00 C ATOM 83 C HIS A 7 7.550 9.548 5.709 1.00 0.00 C ATOM 84 O HIS A 7 6.795 9.037 6.538 1.00 0.00 O ATOM 85 CB HIS A 7 8.376 11.567 6.910 1.00 0.00 C ATOM 86 CG HIS A 7 8.618 13.042 6.898 1.00 0.00 C ATOM 87 ND1 HIS A 7 8.192 13.885 7.902 1.00 0.00 N ATOM 88 CD2 HIS A 7 9.241 13.828 5.989 1.00 0.00 C ATOM 89 CE1 HIS A 7 8.540 15.125 7.610 1.00 0.00 C ATOM 90 NE2 HIS A 7 9.179 15.118 6.455 1.00 0.00 N ATOM 0 H HIS A 7 6.462 12.711 5.765 1.00 0.00 H new ATOM 0 HA HIS A 7 8.375 11.251 4.769 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.736 11.317 7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 7 9.324 11.051 7.064 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.701 13.501 5.068 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.336 15.997 8.214 1.00 0.00 H new ATOM 0 HE2 HIS A 7 9.564 15.937 5.985 1.00 0.00 H new ATOM 99 N PRO A 8 8.291 8.821 4.861 1.00 0.00 N ATOM 100 CA PRO A 8 8.276 7.367 4.838 1.00 0.00 C ATOM 101 C PRO A 8 8.884 6.830 6.107 1.00 0.00 C ATOM 102 O PRO A 8 8.668 5.678 6.476 1.00 0.00 O ATOM 103 CB PRO A 8 9.143 7.019 3.636 1.00 0.00 C ATOM 104 CG PRO A 8 10.084 8.153 3.582 1.00 0.00 C ATOM 105 CD PRO A 8 9.257 9.360 3.897 1.00 0.00 C ATOM 0 HA PRO A 8 7.274 6.944 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.660 6.069 3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.555 6.936 2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.892 8.030 4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.545 8.237 2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.855 10.165 4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.768 9.763 3.010 1.00 0.00 H new ATOM 113 N GLN A 9 9.612 7.696 6.810 1.00 0.00 N ATOM 114 CA GLN A 9 10.203 7.328 8.070 1.00 0.00 C ATOM 115 C GLN A 9 9.098 7.095 9.060 1.00 0.00 C ATOM 116 O GLN A 9 9.189 6.224 9.926 1.00 0.00 O ATOM 117 CB GLN A 9 11.101 8.452 8.596 1.00 0.00 C ATOM 118 CG GLN A 9 10.370 9.761 8.861 1.00 0.00 C ATOM 119 CD GLN A 9 10.383 10.152 10.327 1.00 0.00 C ATOM 120 OE1 GLN A 9 9.395 9.677 11.077 1.00 0.00 O flip ATOM 121 NE2 GLN A 9 11.271 10.875 10.780 1.00 0.00 N flip ATOM 0 H GLN A 9 9.800 8.655 6.518 1.00 0.00 H new ATOM 0 HA GLN A 9 10.806 6.430 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.576 8.121 9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.898 8.633 7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 9 10.830 10.555 8.273 1.00 0.00 H new ATOM 0 HG3 GLN A 9 9.338 9.671 8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.011 11.218 10.168 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.266 11.131 11.767 1.00 0.00 H new ATOM 130 N THR A 10 8.016 7.847 8.889 1.00 0.00 N ATOM 131 CA THR A 10 6.841 7.724 9.695 1.00 0.00 C ATOM 132 C THR A 10 5.874 6.760 9.022 1.00 0.00 C ATOM 133 O THR A 10 5.306 5.887 9.671 1.00 0.00 O ATOM 134 CB THR A 10 6.225 9.127 9.868 1.00 0.00 C ATOM 135 OG1 THR A 10 6.697 9.742 11.051 1.00 0.00 O ATOM 136 CG2 THR A 10 4.708 9.189 9.884 1.00 0.00 C ATOM 0 H THR A 10 7.945 8.567 8.170 1.00 0.00 H new ATOM 0 HA THR A 10 7.076 7.324 10.681 1.00 0.00 H new ATOM 0 HB THR A 10 6.549 9.656 8.972 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.677 9.718 11.064 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.387 10.223 10.011 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.318 8.801 8.943 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.328 8.588 10.710 1.00 0.00 H new ATOM 144 N ALA A 11 5.691 6.918 7.700 1.00 0.00 N ATOM 145 CA ALA A 11 4.797 6.069 6.927 1.00 0.00 C ATOM 146 C ALA A 11 5.182 4.601 7.041 1.00 0.00 C ATOM 147 O ALA A 11 4.312 3.743 7.148 1.00 0.00 O ATOM 148 CB ALA A 11 4.813 6.504 5.474 1.00 0.00 C ATOM 0 H ALA A 11 6.160 7.637 7.149 1.00 0.00 H new ATOM 0 HA ALA A 11 3.790 6.177 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.143 5.867 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.482 7.540 5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.825 6.418 5.080 1.00 0.00 H new ATOM 154 N PHE A 12 6.481 4.311 7.031 1.00 0.00 N ATOM 155 CA PHE A 12 6.937 2.929 7.151 1.00 0.00 C ATOM 156 C PHE A 12 6.655 2.415 8.552 1.00 0.00 C ATOM 157 O PHE A 12 5.878 1.482 8.757 1.00 0.00 O ATOM 158 CB PHE A 12 8.423 2.799 6.816 1.00 0.00 C ATOM 159 CG PHE A 12 8.780 1.481 6.179 1.00 0.00 C ATOM 160 CD1 PHE A 12 8.344 1.170 4.899 1.00 0.00 C ATOM 161 CD2 PHE A 12 9.554 0.555 6.860 1.00 0.00 C ATOM 162 CE1 PHE A 12 8.674 -0.039 4.314 1.00 0.00 C ATOM 163 CE2 PHE A 12 9.886 -0.653 6.276 1.00 0.00 C ATOM 164 CZ PHE A 12 9.446 -0.950 5.003 1.00 0.00 C ATOM 0 H PHE A 12 7.226 5.002 6.943 1.00 0.00 H new ATOM 0 HA PHE A 12 6.387 2.323 6.431 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.708 3.608 6.144 1.00 0.00 H new ATOM 0 HB3 PHE A 12 9.006 2.923 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.740 1.880 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.901 0.780 7.858 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.327 -0.269 3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.491 -1.365 6.817 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.706 -1.894 4.547 1.00 0.00 H new ATOM 174 N CYS A 13 7.399 2.989 9.503 1.00 0.00 N ATOM 175 CA CYS A 13 7.380 2.584 10.902 1.00 0.00 C ATOM 176 C CYS A 13 6.068 2.746 11.623 1.00 0.00 C ATOM 177 O CYS A 13 5.877 2.093 12.650 1.00 0.00 O ATOM 178 CB CYS A 13 8.435 3.379 11.665 1.00 0.00 C ATOM 179 SG CYS A 13 9.872 2.403 12.186 1.00 0.00 S ATOM 0 H CYS A 13 8.040 3.760 9.314 1.00 0.00 H new ATOM 0 HA CYS A 13 7.577 1.512 10.880 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.777 4.202 11.037 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.972 3.822 12.547 1.00 0.00 H new ATOM 184 N ASN A 14 5.148 3.575 11.164 1.00 0.00 N ATOM 185 CA ASN A 14 3.910 3.705 11.892 1.00 0.00 C ATOM 186 C ASN A 14 2.864 2.795 11.287 1.00 0.00 C ATOM 187 O ASN A 14 1.904 2.415 11.958 1.00 0.00 O ATOM 188 CB ASN A 14 3.423 5.163 11.869 1.00 0.00 C ATOM 189 CG ASN A 14 3.696 5.889 13.173 1.00 0.00 C ATOM 190 OD1 ASN A 14 4.255 7.093 13.077 1.00 0.00 O flip ATOM 191 ND2 ASN A 14 3.405 5.378 14.254 1.00 0.00 N flip ATOM 0 H ASN A 14 5.232 4.146 10.323 1.00 0.00 H new ATOM 0 HA ASN A 14 4.079 3.416 12.929 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.913 5.693 11.053 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.353 5.182 11.664 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.978 4.452 14.282 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.591 5.880 15.122 1.00 0.00 H new ATOM 198 N SER A 15 3.025 2.451 10.009 1.00 0.00 N ATOM 199 CA SER A 15 2.125 1.620 9.295 1.00 0.00 C ATOM 200 C SER A 15 1.995 0.229 9.896 1.00 0.00 C ATOM 201 O SER A 15 2.676 -0.157 10.848 1.00 0.00 O ATOM 202 CB SER A 15 2.593 1.543 7.836 1.00 0.00 C ATOM 203 OG SER A 15 1.622 2.085 6.957 1.00 0.00 O ATOM 0 H SER A 15 3.817 2.765 9.448 1.00 0.00 H new ATOM 0 HA SER A 15 1.130 2.061 9.356 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.532 2.085 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.790 0.505 7.569 1.00 0.00 H new ATOM 0 HG SER A 15 2.068 2.466 6.172 1.00 0.00 H new ATOM 209 N ASP A 16 1.185 -0.517 9.205 1.00 0.00 N ATOM 210 CA ASP A 16 0.981 -1.930 9.486 1.00 0.00 C ATOM 211 C ASP A 16 0.979 -2.825 8.264 1.00 0.00 C ATOM 212 O ASP A 16 0.830 -4.042 8.366 1.00 0.00 O ATOM 213 CB ASP A 16 -0.285 -2.138 10.291 1.00 0.00 C ATOM 214 CG ASP A 16 -0.029 -2.154 11.784 1.00 0.00 C ATOM 215 OD1 ASP A 16 0.376 -1.104 12.326 1.00 0.00 O ATOM 216 OD2 ASP A 16 -0.233 -3.214 12.411 1.00 0.00 O ATOM 0 H ASP A 16 0.636 -0.169 8.419 1.00 0.00 H new ATOM 0 HA ASP A 16 1.850 -2.233 10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.995 -1.345 10.056 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.749 -3.079 9.995 1.00 0.00 H new ATOM 221 N LEU A 17 1.278 -2.220 7.131 1.00 0.00 N ATOM 222 CA LEU A 17 1.451 -2.993 5.916 1.00 0.00 C ATOM 223 C LEU A 17 2.186 -2.194 4.872 1.00 0.00 C ATOM 224 O LEU A 17 1.687 -1.205 4.366 1.00 0.00 O ATOM 225 CB LEU A 17 0.126 -3.510 5.380 1.00 0.00 C ATOM 226 CG LEU A 17 -0.171 -4.961 5.750 1.00 0.00 C ATOM 227 CD1 LEU A 17 -1.420 -5.446 5.038 1.00 0.00 C ATOM 228 CD2 LEU A 17 1.021 -5.857 5.427 1.00 0.00 C ATOM 0 H LEU A 17 1.404 -1.213 7.026 1.00 0.00 H new ATOM 0 HA LEU A 17 2.057 -3.864 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.678 -2.878 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.123 -3.415 4.294 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.349 -5.012 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.617 -6.482 5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.268 -4.826 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.274 -5.379 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.787 -6.886 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.238 -5.804 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.891 -5.522 5.991 1.00 0.00 H new ATOM 240 N VAL A 18 3.372 -2.659 4.531 1.00 0.00 N ATOM 241 CA VAL A 18 4.176 -2.004 3.533 1.00 0.00 C ATOM 242 C VAL A 18 4.726 -3.034 2.588 1.00 0.00 C ATOM 243 O VAL A 18 5.420 -3.957 3.011 1.00 0.00 O ATOM 244 CB VAL A 18 5.359 -1.223 4.141 1.00 0.00 C ATOM 245 CG1 VAL A 18 5.894 -0.219 3.133 1.00 0.00 C ATOM 246 CG2 VAL A 18 4.958 -0.523 5.435 1.00 0.00 C ATOM 0 H VAL A 18 3.797 -3.493 4.936 1.00 0.00 H new ATOM 0 HA VAL A 18 3.531 -1.292 3.018 1.00 0.00 H new ATOM 0 HB VAL A 18 6.147 -1.936 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.729 0.327 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.233 -0.745 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.104 0.482 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.815 0.018 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.148 0.178 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.624 -1.264 6.161 1.00 0.00 H new ATOM 256 N ILE A 19 4.367 -2.927 1.323 1.00 0.00 N ATOM 257 CA ILE A 19 4.775 -3.912 0.353 1.00 0.00 C ATOM 258 C ILE A 19 4.783 -3.370 -1.059 1.00 0.00 C ATOM 259 O ILE A 19 4.070 -2.423 -1.391 1.00 0.00 O ATOM 260 CB ILE A 19 3.804 -5.121 0.362 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.409 -4.706 -0.138 1.00 0.00 C ATOM 262 CG2 ILE A 19 3.701 -5.746 1.744 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.659 -3.795 0.812 1.00 0.00 C ATOM 0 H ILE A 19 3.796 -2.169 0.949 1.00 0.00 H new ATOM 0 HA ILE A 19 5.786 -4.205 0.638 1.00 0.00 H new ATOM 0 HB ILE A 19 4.212 -5.870 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.514 -4.204 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.814 -5.603 -0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.012 -6.590 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.685 -6.093 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.333 -5.004 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.686 -3.548 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.520 -4.301 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.230 -2.880 0.966 1.00 0.00 H new ATOM 275 N ARG A 20 5.550 -4.035 -1.892 1.00 0.00 N ATOM 276 CA ARG A 20 5.605 -3.690 -3.289 1.00 0.00 C ATOM 277 C ARG A 20 4.648 -4.625 -4.028 1.00 0.00 C ATOM 278 O ARG A 20 4.585 -5.825 -3.762 1.00 0.00 O ATOM 279 CB ARG A 20 7.036 -3.735 -3.849 1.00 0.00 C ATOM 280 CG ARG A 20 7.532 -5.119 -4.214 1.00 0.00 C ATOM 281 CD ARG A 20 7.985 -5.193 -5.665 1.00 0.00 C ATOM 282 NE ARG A 20 8.892 -6.317 -5.900 1.00 0.00 N ATOM 283 CZ ARG A 20 9.197 -6.785 -7.108 1.00 0.00 C ATOM 284 NH1 ARG A 20 8.671 -6.232 -8.194 1.00 0.00 N ATOM 285 NH2 ARG A 20 10.028 -7.810 -7.230 1.00 0.00 N ATOM 0 H ARG A 20 6.145 -4.819 -1.623 1.00 0.00 H new ATOM 0 HA ARG A 20 5.292 -2.656 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.085 -3.102 -4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.713 -3.304 -3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.360 -5.392 -3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.738 -5.846 -4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.113 -5.289 -6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.483 -4.262 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 20 9.316 -6.769 -5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.029 -5.444 -8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.908 -6.595 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.433 -8.240 -6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.262 -8.169 -8.155 1.00 0.00 H new ATOM 299 N ALA A 21 3.874 -4.030 -4.902 1.00 0.00 N ATOM 300 CA ALA A 21 2.866 -4.787 -5.630 1.00 0.00 C ATOM 301 C ALA A 21 2.531 -4.227 -6.989 1.00 0.00 C ATOM 302 O ALA A 21 2.906 -3.127 -7.382 1.00 0.00 O ATOM 303 CB ALA A 21 1.606 -4.898 -4.788 1.00 0.00 C ATOM 0 H ALA A 21 3.915 -3.037 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 21 3.298 -5.771 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.852 -5.465 -5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.837 -5.408 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.224 -3.900 -4.572 1.00 0.00 H new ATOM 309 N LYS A 22 1.702 -5.038 -7.638 1.00 0.00 N ATOM 310 CA LYS A 22 1.101 -4.762 -8.926 1.00 0.00 C ATOM 311 C LYS A 22 -0.420 -4.811 -8.776 1.00 0.00 C ATOM 312 O LYS A 22 -0.938 -5.631 -8.027 1.00 0.00 O ATOM 313 CB LYS A 22 1.572 -5.781 -9.961 1.00 0.00 C ATOM 314 CG LYS A 22 2.752 -5.317 -10.792 1.00 0.00 C ATOM 315 CD LYS A 22 3.659 -6.476 -11.163 1.00 0.00 C ATOM 316 CE LYS A 22 4.978 -6.407 -10.414 1.00 0.00 C ATOM 317 NZ LYS A 22 5.990 -7.336 -10.984 1.00 0.00 N ATOM 0 H LYS A 22 1.422 -5.943 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 22 1.402 -3.773 -9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.842 -6.705 -9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.742 -6.017 -10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.392 -4.831 -11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.320 -4.572 -10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.159 -7.418 -10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.847 -6.464 -12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.362 -5.387 -10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.812 -6.650 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.876 -7.258 -10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.635 -8.312 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.168 -7.088 -11.978 1.00 0.00 H new ATOM 331 N PHE A 23 -1.138 -3.942 -9.479 1.00 0.00 N ATOM 332 CA PHE A 23 -2.599 -3.945 -9.390 1.00 0.00 C ATOM 333 C PHE A 23 -3.160 -4.791 -10.496 1.00 0.00 C ATOM 334 O PHE A 23 -2.927 -4.559 -11.680 1.00 0.00 O ATOM 335 CB PHE A 23 -3.176 -2.528 -9.418 1.00 0.00 C ATOM 336 CG PHE A 23 -2.806 -1.704 -8.214 1.00 0.00 C ATOM 337 CD1 PHE A 23 -1.503 -1.265 -8.033 1.00 0.00 C ATOM 338 CD2 PHE A 23 -3.761 -1.363 -7.269 1.00 0.00 C ATOM 339 CE1 PHE A 23 -1.161 -0.502 -6.930 1.00 0.00 C ATOM 340 CE2 PHE A 23 -3.424 -0.598 -6.166 1.00 0.00 C ATOM 341 CZ PHE A 23 -2.122 -0.168 -5.997 1.00 0.00 C ATOM 0 H PHE A 23 -0.746 -3.239 -10.105 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.890 -4.374 -8.431 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.827 -2.020 -10.317 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.262 -2.588 -9.487 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.747 -1.521 -8.761 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.780 -1.698 -7.395 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.142 -0.168 -6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.178 -0.337 -5.438 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.857 0.428 -5.137 1.00 0.00 H new ATOM 351 N VAL A 24 -3.838 -5.830 -10.064 1.00 0.00 N ATOM 352 CA VAL A 24 -4.384 -6.813 -10.946 1.00 0.00 C ATOM 353 C VAL A 24 -5.851 -7.087 -10.653 1.00 0.00 C ATOM 354 O VAL A 24 -6.315 -8.223 -10.746 1.00 0.00 O ATOM 355 CB VAL A 24 -3.566 -8.090 -10.775 1.00 0.00 C ATOM 356 CG1 VAL A 24 -2.142 -7.868 -11.260 1.00 0.00 C ATOM 357 CG2 VAL A 24 -3.591 -8.563 -9.326 1.00 0.00 C ATOM 0 H VAL A 24 -4.023 -6.010 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.332 -6.447 -11.971 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.015 -8.876 -11.382 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.567 -8.785 -11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.156 -7.591 -12.314 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.681 -7.068 -10.681 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.001 -9.474 -9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.170 -7.789 -8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.620 -8.764 -9.026 1.00 0.00 H new ATOM 367 N GLY A 25 -6.584 -6.024 -10.354 1.00 0.00 N ATOM 368 CA GLY A 25 -8.010 -6.109 -10.110 1.00 0.00 C ATOM 369 C GLY A 25 -8.617 -4.723 -10.089 1.00 0.00 C ATOM 370 O GLY A 25 -7.880 -3.737 -10.061 1.00 0.00 O ATOM 0 H GLY A 25 -6.204 -5.081 -10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.484 -6.711 -10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.195 -6.610 -9.160 1.00 0.00 H new ATOM 374 N THR A 26 -9.936 -4.618 -10.153 1.00 0.00 N ATOM 375 CA THR A 26 -10.598 -3.315 -10.196 1.00 0.00 C ATOM 376 C THR A 26 -11.154 -2.895 -8.836 1.00 0.00 C ATOM 377 O THR A 26 -11.351 -3.723 -7.948 1.00 0.00 O ATOM 378 CB THR A 26 -11.724 -3.343 -11.236 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.774 -4.601 -11.891 1.00 0.00 O ATOM 380 CG2 THR A 26 -11.585 -2.278 -12.305 1.00 0.00 C ATOM 0 H THR A 26 -10.571 -5.416 -10.176 1.00 0.00 H new ATOM 0 HA THR A 26 -9.847 -2.577 -10.476 1.00 0.00 H new ATOM 0 HB THR A 26 -12.637 -3.152 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.500 -4.598 -12.549 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.415 -2.356 -13.007 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.595 -1.292 -11.840 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.645 -2.418 -12.838 1.00 0.00 H new ATOM 388 N PRO A 27 -11.416 -1.583 -8.666 1.00 0.00 N ATOM 389 CA PRO A 27 -11.952 -1.034 -7.423 1.00 0.00 C ATOM 390 C PRO A 27 -13.456 -1.249 -7.275 1.00 0.00 C ATOM 391 O PRO A 27 -14.261 -0.625 -7.969 1.00 0.00 O ATOM 392 CB PRO A 27 -11.633 0.454 -7.528 1.00 0.00 C ATOM 393 CG PRO A 27 -11.589 0.745 -8.990 1.00 0.00 C ATOM 394 CD PRO A 27 -11.204 -0.538 -9.685 1.00 0.00 C ATOM 0 HA PRO A 27 -11.518 -1.521 -6.550 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.394 1.055 -7.030 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.680 0.687 -7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.558 1.098 -9.342 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.866 1.532 -9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.820 -0.712 -10.567 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.167 -0.513 -10.020 1.00 0.00 H new ATOM 402 N GLU A 28 -13.818 -2.101 -6.324 1.00 0.00 N ATOM 403 CA GLU A 28 -15.234 -2.336 -6.058 1.00 0.00 C ATOM 404 C GLU A 28 -15.808 -1.087 -5.392 1.00 0.00 C ATOM 405 O GLU A 28 -15.053 -0.292 -4.831 1.00 0.00 O ATOM 406 CB GLU A 28 -15.441 -3.570 -5.175 1.00 0.00 C ATOM 407 CG GLU A 28 -14.897 -3.409 -3.771 1.00 0.00 C ATOM 408 CD GLU A 28 -15.716 -4.145 -2.729 1.00 0.00 C ATOM 409 OE1 GLU A 28 -16.176 -5.268 -3.019 1.00 0.00 O ATOM 410 OE2 GLU A 28 -15.898 -3.594 -1.624 1.00 0.00 O ATOM 0 H GLU A 28 -13.172 -2.629 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 28 -15.753 -2.531 -6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -16.507 -3.792 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.961 -4.428 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.870 -3.773 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.867 -2.349 -3.519 1.00 0.00 H new ATOM 417 N VAL A 29 -17.136 -0.949 -5.364 1.00 0.00 N ATOM 418 CA VAL A 29 -17.700 0.195 -4.634 1.00 0.00 C ATOM 419 C VAL A 29 -19.065 -0.020 -3.979 1.00 0.00 C ATOM 420 O VAL A 29 -20.080 0.213 -4.640 1.00 0.00 O ATOM 421 CB VAL A 29 -17.828 1.462 -5.500 1.00 0.00 C ATOM 422 CG1 VAL A 29 -17.904 2.694 -4.612 1.00 0.00 C ATOM 423 CG2 VAL A 29 -16.692 1.602 -6.510 1.00 0.00 C ATOM 0 H VAL A 29 -17.809 -1.573 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.959 0.316 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.749 1.368 -6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.994 3.585 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.773 2.618 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.000 2.763 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -16.833 2.512 -7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.740 1.654 -5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.690 0.740 -7.178 1.00 0.00 H new ATOM 433 N ASN A 30 -19.146 -0.424 -2.724 1.00 0.00 N ATOM 434 CA ASN A 30 -20.477 -0.588 -2.141 1.00 0.00 C ATOM 435 C ASN A 30 -20.987 0.819 -1.833 1.00 0.00 C ATOM 436 O ASN A 30 -20.218 1.747 -1.578 1.00 0.00 O ATOM 437 CB ASN A 30 -20.476 -1.473 -0.908 1.00 0.00 C ATOM 438 CG ASN A 30 -21.776 -2.257 -0.793 1.00 0.00 C ATOM 439 OD1 ASN A 30 -22.699 -1.803 0.045 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 -21.947 -3.274 -1.464 1.00 0.00 N flip ATOM 0 H ASN A 30 -18.358 -0.636 -2.112 1.00 0.00 H new ATOM 0 HA ASN A 30 -21.135 -1.101 -2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -19.634 -2.164 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -20.338 -0.860 -0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -21.216 -3.595 -2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.820 -3.796 -1.385 1.00 0.00 H new ATOM 447 N GLN A 31 -22.311 0.916 -1.795 1.00 0.00 N ATOM 448 CA GLN A 31 -22.965 2.174 -1.435 1.00 0.00 C ATOM 449 C GLN A 31 -22.995 2.304 0.073 1.00 0.00 C ATOM 450 O GLN A 31 -23.505 3.294 0.599 1.00 0.00 O ATOM 451 CB GLN A 31 -24.367 2.254 -2.010 1.00 0.00 C ATOM 452 CG GLN A 31 -24.400 2.202 -3.522 1.00 0.00 C ATOM 453 CD GLN A 31 -23.964 3.506 -4.164 1.00 0.00 C ATOM 454 OE1 GLN A 31 -24.793 4.320 -4.573 1.00 0.00 O ATOM 455 NE2 GLN A 31 -22.655 3.712 -4.257 1.00 0.00 N ATOM 0 H GLN A 31 -22.949 0.149 -2.006 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.396 3.001 -1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.962 1.432 -1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.837 3.179 -1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.751 1.397 -3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.411 1.960 -3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.002 3.011 -3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.303 4.571 -4.680 1.00 0.00 H new ATOM 464 N THR A 32 -22.624 1.258 0.766 1.00 0.00 N ATOM 465 CA THR A 32 -22.794 1.207 2.196 1.00 0.00 C ATOM 466 C THR A 32 -21.641 0.494 2.861 1.00 0.00 C ATOM 467 O THR A 32 -21.755 -0.024 3.972 1.00 0.00 O ATOM 468 CB THR A 32 -24.148 0.498 2.427 1.00 0.00 C ATOM 469 OG1 THR A 32 -25.198 1.439 2.555 1.00 0.00 O ATOM 470 CG2 THR A 32 -24.217 -0.454 3.605 1.00 0.00 C ATOM 0 H THR A 32 -22.199 0.424 0.360 1.00 0.00 H new ATOM 0 HA THR A 32 -22.800 2.201 2.643 1.00 0.00 H new ATOM 0 HB THR A 32 -24.258 -0.118 1.534 1.00 0.00 H new ATOM 0 HG1 THR A 32 -24.998 2.228 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 32 -25.215 -0.889 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 32 -23.482 -1.248 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 32 -24.004 0.090 4.525 1.00 0.00 H new ATOM 478 N THR A 33 -20.506 0.515 2.206 1.00 0.00 N ATOM 479 CA THR A 33 -19.326 -0.088 2.763 1.00 0.00 C ATOM 480 C THR A 33 -18.629 0.921 3.579 1.00 0.00 C ATOM 481 O THR A 33 -18.039 0.591 4.606 1.00 0.00 O ATOM 482 CB THR A 33 -18.315 -0.499 1.695 1.00 0.00 C ATOM 483 OG1 THR A 33 -16.994 -0.339 2.180 1.00 0.00 O ATOM 484 CG2 THR A 33 -18.421 0.278 0.382 1.00 0.00 C ATOM 0 H THR A 33 -20.377 0.943 1.289 1.00 0.00 H new ATOM 0 HA THR A 33 -19.656 -0.964 3.322 1.00 0.00 H new ATOM 0 HB THR A 33 -18.551 -1.541 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.362 -0.741 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.665 -0.082 -0.316 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.411 0.131 -0.049 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.263 1.339 0.573 1.00 0.00 H new ATOM 492 N LEU A 34 -18.508 2.107 2.999 1.00 0.00 N ATOM 493 CA LEU A 34 -17.661 3.119 3.574 1.00 0.00 C ATOM 494 C LEU A 34 -16.273 2.961 2.993 1.00 0.00 C ATOM 495 O LEU A 34 -15.455 3.861 3.130 1.00 0.00 O ATOM 496 CB LEU A 34 -17.572 3.028 5.089 1.00 0.00 C ATOM 497 CG LEU A 34 -18.517 3.936 5.849 1.00 0.00 C ATOM 498 CD1 LEU A 34 -18.271 3.822 7.349 1.00 0.00 C ATOM 499 CD2 LEU A 34 -18.346 5.371 5.362 1.00 0.00 C ATOM 0 H LEU A 34 -18.984 2.382 2.140 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.095 4.090 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.767 1.998 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.551 3.260 5.391 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.546 3.630 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.958 4.480 7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.435 2.793 7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.244 4.112 7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.026 6.024 5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.319 5.693 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.571 5.423 4.297 1.00 0.00 H new ATOM 511 N TYR A 35 -16.005 1.783 2.408 1.00 0.00 N ATOM 512 CA TYR A 35 -14.697 1.444 1.829 1.00 0.00 C ATOM 513 C TYR A 35 -14.820 0.596 0.584 1.00 0.00 C ATOM 514 O TYR A 35 -15.864 0.033 0.281 1.00 0.00 O ATOM 515 CB TYR A 35 -13.807 0.722 2.830 1.00 0.00 C ATOM 516 CG TYR A 35 -14.545 -0.162 3.775 1.00 0.00 C ATOM 517 CD1 TYR A 35 -15.087 0.374 4.920 1.00 0.00 C ATOM 518 CD2 TYR A 35 -14.704 -1.515 3.530 1.00 0.00 C ATOM 519 CE1 TYR A 35 -15.774 -0.402 5.809 1.00 0.00 C ATOM 520 CE2 TYR A 35 -15.398 -2.312 4.414 1.00 0.00 C ATOM 521 CZ TYR A 35 -15.934 -1.751 5.557 1.00 0.00 C ATOM 522 OH TYR A 35 -16.632 -2.540 6.439 1.00 0.00 O ATOM 0 H TYR A 35 -16.694 1.035 2.323 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.240 2.396 1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.077 0.124 2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.249 1.462 3.403 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -14.967 1.429 5.120 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -14.280 -1.950 2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -16.190 0.036 6.704 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -15.522 -3.366 4.215 1.00 0.00 H new ATOM 0 HH TYR A 35 -16.650 -3.463 6.109 1.00 0.00 H new ATOM 532 N GLN A 36 -13.734 0.534 -0.148 1.00 0.00 N ATOM 533 CA GLN A 36 -13.699 -0.208 -1.377 1.00 0.00 C ATOM 534 C GLN A 36 -12.578 -1.243 -1.352 1.00 0.00 C ATOM 535 O GLN A 36 -11.766 -1.260 -0.429 1.00 0.00 O ATOM 536 CB GLN A 36 -13.542 0.799 -2.497 1.00 0.00 C ATOM 537 CG GLN A 36 -14.726 1.739 -2.592 1.00 0.00 C ATOM 538 CD GLN A 36 -14.311 3.194 -2.674 1.00 0.00 C ATOM 539 OE1 GLN A 36 -14.846 3.908 -3.653 1.00 0.00 O flip ATOM 540 NE2 GLN A 36 -13.522 3.673 -1.860 1.00 0.00 N flip ATOM 0 H GLN A 36 -12.856 0.995 0.093 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.617 -0.776 -1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -12.632 1.378 -2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.422 0.272 -3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.318 1.484 -3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.368 1.597 -1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.133 3.087 -1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.257 4.656 -1.924 1.00 0.00 H new ATOM 549 N ARG A 37 -12.553 -2.120 -2.347 1.00 0.00 N ATOM 550 CA ARG A 37 -11.546 -3.171 -2.400 1.00 0.00 C ATOM 551 C ARG A 37 -10.895 -3.279 -3.773 1.00 0.00 C ATOM 552 O ARG A 37 -11.569 -3.387 -4.799 1.00 0.00 O ATOM 553 CB ARG A 37 -12.163 -4.523 -2.025 1.00 0.00 C ATOM 554 CG ARG A 37 -12.866 -4.532 -0.678 1.00 0.00 C ATOM 555 CD ARG A 37 -12.824 -5.914 -0.046 1.00 0.00 C ATOM 556 NE ARG A 37 -13.199 -6.964 -0.992 1.00 0.00 N ATOM 557 CZ ARG A 37 -14.453 -7.226 -1.352 1.00 0.00 C ATOM 558 NH1 ARG A 37 -15.457 -6.514 -0.856 1.00 0.00 N ATOM 559 NH2 ARG A 37 -14.706 -8.203 -2.212 1.00 0.00 N ATOM 0 H ARG A 37 -13.214 -2.125 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.773 -2.903 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.876 -4.811 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.378 -5.279 -2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.392 -3.810 -0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.902 -4.218 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.820 -6.109 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.498 -5.941 0.810 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.455 -7.529 -1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.270 -5.760 -0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.416 -6.720 -1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.939 -8.754 -2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.667 -8.404 -2.488 1.00 0.00 H new ATOM 573 N TYR A 38 -9.574 -3.284 -3.759 1.00 0.00 N ATOM 574 CA TYR A 38 -8.773 -3.418 -4.972 1.00 0.00 C ATOM 575 C TYR A 38 -8.014 -4.735 -4.922 1.00 0.00 C ATOM 576 O TYR A 38 -7.567 -5.145 -3.851 1.00 0.00 O ATOM 577 CB TYR A 38 -7.723 -2.298 -5.057 1.00 0.00 C ATOM 578 CG TYR A 38 -8.015 -1.143 -5.988 1.00 0.00 C ATOM 579 CD1 TYR A 38 -8.115 -1.324 -7.360 1.00 0.00 C ATOM 580 CD2 TYR A 38 -8.132 0.148 -5.486 1.00 0.00 C ATOM 581 CE1 TYR A 38 -8.333 -0.250 -8.205 1.00 0.00 C ATOM 582 CE2 TYR A 38 -8.341 1.226 -6.322 1.00 0.00 C ATOM 583 CZ TYR A 38 -8.442 1.022 -7.681 1.00 0.00 C ATOM 584 OH TYR A 38 -8.649 2.093 -8.519 1.00 0.00 O ATOM 0 H TYR A 38 -9.021 -3.195 -2.906 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.444 -3.370 -5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.578 -1.895 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.777 -2.745 -5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.021 -2.317 -7.774 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.058 0.311 -4.421 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.417 -0.407 -9.270 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.425 2.222 -5.914 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.801 2.562 -8.667 1.00 0.00 H new ATOM 594 N GLU A 39 -7.823 -5.384 -6.058 1.00 0.00 N ATOM 595 CA GLU A 39 -7.074 -6.624 -6.104 1.00 0.00 C ATOM 596 C GLU A 39 -5.693 -6.295 -6.604 1.00 0.00 C ATOM 597 O GLU A 39 -5.553 -5.501 -7.535 1.00 0.00 O ATOM 598 CB GLU A 39 -7.746 -7.643 -7.023 1.00 0.00 C ATOM 599 CG GLU A 39 -9.245 -7.762 -6.809 1.00 0.00 C ATOM 600 CD GLU A 39 -10.030 -6.686 -7.530 1.00 0.00 C ATOM 601 OE1 GLU A 39 -10.289 -6.848 -8.741 1.00 0.00 O ATOM 602 OE2 GLU A 39 -10.385 -5.680 -6.883 1.00 0.00 O ATOM 0 H GLU A 39 -8.178 -5.070 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.031 -7.072 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.557 -7.365 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.287 -8.619 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.580 -8.741 -7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.460 -7.708 -5.742 1.00 0.00 H new ATOM 609 N ILE A 40 -4.662 -6.846 -5.989 1.00 0.00 N ATOM 610 CA ILE A 40 -3.332 -6.496 -6.432 1.00 0.00 C ATOM 611 C ILE A 40 -2.334 -7.638 -6.419 1.00 0.00 C ATOM 612 O ILE A 40 -2.245 -8.407 -5.463 1.00 0.00 O ATOM 613 CB ILE A 40 -2.768 -5.384 -5.524 1.00 0.00 C ATOM 614 CG1 ILE A 40 -3.177 -5.625 -4.063 1.00 0.00 C ATOM 615 CG2 ILE A 40 -3.238 -4.015 -5.994 1.00 0.00 C ATOM 616 CD1 ILE A 40 -2.079 -5.317 -3.068 1.00 0.00 C ATOM 0 H ILE A 40 -4.716 -7.509 -5.215 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.450 -6.181 -7.469 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.680 -5.409 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.048 -5.011 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.480 -6.665 -3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.829 -3.245 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.896 -3.843 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.327 -3.974 -5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.439 -5.510 -2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.215 -5.949 -3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.791 -4.269 -3.157 1.00 0.00 H new ATOM 628 N LYS A 41 -1.566 -7.706 -7.501 1.00 0.00 N ATOM 629 CA LYS A 41 -0.554 -8.722 -7.635 1.00 0.00 C ATOM 630 C LYS A 41 0.618 -8.339 -6.752 1.00 0.00 C ATOM 631 O LYS A 41 1.586 -7.727 -7.204 1.00 0.00 O ATOM 632 CB LYS A 41 -0.091 -8.860 -9.080 1.00 0.00 C ATOM 633 CG LYS A 41 0.783 -10.079 -9.318 1.00 0.00 C ATOM 634 CD LYS A 41 -0.034 -11.361 -9.276 1.00 0.00 C ATOM 635 CE LYS A 41 -0.037 -11.977 -7.885 1.00 0.00 C ATOM 636 NZ LYS A 41 -0.072 -13.465 -7.936 1.00 0.00 N ATOM 0 H LYS A 41 -1.633 -7.066 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.969 -9.684 -7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.964 -8.915 -9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.462 -7.964 -9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.277 -9.992 -10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.567 -10.120 -8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.058 -11.151 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.373 -12.076 -9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.851 -11.653 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.900 -11.613 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.073 -13.846 -6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.932 -13.775 -8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.765 -13.815 -8.445 1.00 0.00 H new ATOM 650 N MET A 42 0.503 -8.701 -5.475 1.00 0.00 N ATOM 651 CA MET A 42 1.536 -8.399 -4.498 1.00 0.00 C ATOM 652 C MET A 42 2.846 -9.001 -4.945 1.00 0.00 C ATOM 653 O MET A 42 2.904 -10.185 -5.287 1.00 0.00 O ATOM 654 CB MET A 42 1.151 -8.923 -3.112 1.00 0.00 C ATOM 655 CG MET A 42 2.033 -8.380 -2.000 1.00 0.00 C ATOM 656 SD MET A 42 2.946 -9.676 -1.145 1.00 0.00 S ATOM 657 CE MET A 42 1.844 -10.007 0.226 1.00 0.00 C ATOM 0 H MET A 42 -0.299 -9.205 -5.097 1.00 0.00 H new ATOM 0 HA MET A 42 1.644 -7.317 -4.426 1.00 0.00 H new ATOM 0 HB2 MET A 42 0.114 -8.659 -2.906 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.208 -10.011 -3.113 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.737 -7.660 -2.418 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.415 -7.841 -1.281 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.833 -11.077 0.434 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.190 -9.469 1.109 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.837 -9.676 -0.029 1.00 0.00 H new ATOM 667 N THR A 43 3.899 -8.197 -4.963 1.00 0.00 N ATOM 668 CA THR A 43 5.185 -8.685 -5.397 1.00 0.00 C ATOM 669 C THR A 43 5.972 -9.264 -4.229 1.00 0.00 C ATOM 670 O THR A 43 6.214 -10.470 -4.159 1.00 0.00 O ATOM 671 CB THR A 43 5.992 -7.593 -6.095 1.00 0.00 C ATOM 672 OG1 THR A 43 5.251 -6.387 -6.173 1.00 0.00 O ATOM 673 CG2 THR A 43 6.408 -7.981 -7.502 1.00 0.00 C ATOM 0 H THR A 43 3.883 -7.216 -4.684 1.00 0.00 H new ATOM 0 HA THR A 43 5.003 -9.481 -6.119 1.00 0.00 H new ATOM 0 HB THR A 43 6.888 -7.454 -5.490 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.271 -6.049 -7.093 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.979 -7.168 -7.950 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.025 -8.879 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.520 -8.175 -8.103 1.00 0.00 H new ATOM 681 N LYS A 44 6.359 -8.382 -3.300 1.00 0.00 N ATOM 682 CA LYS A 44 7.109 -8.734 -2.102 1.00 0.00 C ATOM 683 C LYS A 44 6.676 -7.796 -0.971 1.00 0.00 C ATOM 684 O LYS A 44 6.454 -6.608 -1.205 1.00 0.00 O ATOM 685 CB LYS A 44 8.613 -8.570 -2.342 1.00 0.00 C ATOM 686 CG LYS A 44 9.303 -9.813 -2.872 1.00 0.00 C ATOM 687 CD LYS A 44 10.749 -9.881 -2.401 1.00 0.00 C ATOM 688 CE LYS A 44 11.623 -8.868 -3.125 1.00 0.00 C ATOM 689 NZ LYS A 44 11.659 -7.556 -2.420 1.00 0.00 N ATOM 0 H LYS A 44 6.152 -7.385 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 44 6.910 -9.773 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.769 -7.754 -3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.088 -8.277 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.766 -10.701 -2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.272 -9.813 -3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.791 -9.697 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.140 -10.885 -2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.636 -9.260 -3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.248 -8.725 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.486 -7.012 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.791 -7.024 -2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.726 -7.715 -1.394 1.00 0.00 H new ATOM 703 N MET A 45 6.558 -8.315 0.242 1.00 0.00 N ATOM 704 CA MET A 45 6.151 -7.491 1.386 1.00 0.00 C ATOM 705 C MET A 45 7.380 -6.919 2.083 1.00 0.00 C ATOM 706 O MET A 45 8.387 -7.616 2.203 1.00 0.00 O ATOM 707 CB MET A 45 5.308 -8.318 2.364 1.00 0.00 C ATOM 708 CG MET A 45 6.067 -9.461 3.025 1.00 0.00 C ATOM 709 SD MET A 45 6.203 -10.929 1.980 1.00 0.00 S ATOM 710 CE MET A 45 4.483 -11.353 1.723 1.00 0.00 C ATOM 0 H MET A 45 6.735 -9.294 0.466 1.00 0.00 H new ATOM 0 HA MET A 45 5.541 -6.662 1.026 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.918 -7.658 3.139 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.449 -8.726 1.832 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.067 -9.118 3.290 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.566 -9.731 3.955 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.281 -12.333 2.156 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.849 -10.607 2.202 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.270 -11.378 0.654 1.00 0.00 H new ATOM 720 N TYR A 46 7.339 -5.655 2.547 1.00 0.00 N ATOM 721 CA TYR A 46 8.468 -5.022 3.219 1.00 0.00 C ATOM 722 C TYR A 46 8.111 -4.641 4.655 1.00 0.00 C ATOM 723 O TYR A 46 8.855 -3.898 5.294 1.00 0.00 O ATOM 724 CB TYR A 46 8.893 -3.732 2.497 1.00 0.00 C ATOM 725 CG TYR A 46 9.216 -3.867 1.023 1.00 0.00 C ATOM 726 CD1 TYR A 46 8.364 -4.531 0.157 1.00 0.00 C ATOM 727 CD2 TYR A 46 10.372 -3.296 0.494 1.00 0.00 C ATOM 728 CE1 TYR A 46 8.652 -4.628 -1.187 1.00 0.00 C ATOM 729 CE2 TYR A 46 10.667 -3.393 -0.849 1.00 0.00 C ATOM 730 CZ TYR A 46 9.805 -4.059 -1.685 1.00 0.00 C ATOM 731 OH TYR A 46 10.095 -4.157 -3.026 1.00 0.00 O ATOM 0 H TYR A 46 6.520 -5.053 2.462 1.00 0.00 H new ATOM 0 HA TYR A 46 9.281 -5.748 3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.094 -2.998 2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.769 -3.328 3.004 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.460 -4.980 0.541 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.049 -2.768 1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.976 -5.149 -1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 46 11.570 -2.948 -1.241 1.00 0.00 H new ATOM 0 HH TYR A 46 10.669 -3.408 -3.292 1.00 0.00 H new ATOM 741 N LYS A 47 7.002 -5.160 5.186 1.00 0.00 N ATOM 742 CA LYS A 47 6.549 -4.914 6.550 1.00 0.00 C ATOM 743 C LYS A 47 5.171 -5.529 6.728 1.00 0.00 C ATOM 744 O LYS A 47 4.217 -5.125 6.061 1.00 0.00 O ATOM 745 CB LYS A 47 6.489 -3.428 6.892 1.00 0.00 C ATOM 746 CG LYS A 47 6.602 -3.167 8.387 1.00 0.00 C ATOM 747 CD LYS A 47 5.313 -2.599 8.960 1.00 0.00 C ATOM 748 CE LYS A 47 5.553 -1.271 9.660 1.00 0.00 C ATOM 749 NZ LYS A 47 6.068 -1.459 11.043 1.00 0.00 N ATOM 0 H LYS A 47 6.381 -5.778 4.664 1.00 0.00 H new ATOM 0 HA LYS A 47 7.272 -5.370 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.294 -2.907 6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.551 -3.012 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.850 -4.096 8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.420 -2.472 8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.586 -2.463 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.882 -3.310 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.266 -0.681 9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.622 -0.704 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.219 -0.530 11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.377 -2.001 11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.969 -1.977 11.010 1.00 0.00 H new ATOM 763 N GLY A 48 5.061 -6.520 7.596 1.00 0.00 N ATOM 764 CA GLY A 48 3.798 -7.192 7.813 1.00 0.00 C ATOM 765 C GLY A 48 3.987 -8.665 8.120 1.00 0.00 C ATOM 766 O GLY A 48 3.024 -9.362 8.420 1.00 0.00 O ATOM 0 H GLY A 48 5.833 -6.875 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.269 -6.714 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.172 -7.083 6.927 1.00 0.00 H new ATOM 770 N PHE A 49 5.229 -9.144 8.018 1.00 0.00 N ATOM 771 CA PHE A 49 5.542 -10.548 8.262 1.00 0.00 C ATOM 772 C PHE A 49 4.825 -11.077 9.507 1.00 0.00 C ATOM 773 O PHE A 49 4.225 -12.151 9.465 1.00 0.00 O ATOM 774 CB PHE A 49 7.061 -10.723 8.395 1.00 0.00 C ATOM 775 CG PHE A 49 7.774 -10.893 7.076 1.00 0.00 C ATOM 776 CD1 PHE A 49 7.142 -11.505 6.011 1.00 0.00 C ATOM 777 CD2 PHE A 49 9.077 -10.449 6.906 1.00 0.00 C ATOM 778 CE1 PHE A 49 7.786 -11.674 4.801 1.00 0.00 C ATOM 779 CE2 PHE A 49 9.730 -10.616 5.696 1.00 0.00 C ATOM 780 CZ PHE A 49 9.081 -11.230 4.643 1.00 0.00 C ATOM 0 H PHE A 49 6.036 -8.574 7.766 1.00 0.00 H new ATOM 0 HA PHE A 49 5.186 -11.131 7.412 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.473 -9.856 8.911 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.263 -11.592 9.021 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.128 -11.857 6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.588 -9.968 7.727 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.275 -12.154 3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.745 -10.267 5.576 1.00 0.00 H new ATOM 0 HZ PHE A 49 9.587 -11.362 3.698 1.00 0.00 H new ATOM 790 N GLN A 50 4.866 -10.331 10.607 1.00 0.00 N ATOM 791 CA GLN A 50 4.179 -10.769 11.824 1.00 0.00 C ATOM 792 C GLN A 50 2.669 -10.874 11.568 1.00 0.00 C ATOM 793 O GLN A 50 1.973 -11.672 12.196 1.00 0.00 O ATOM 794 CB GLN A 50 4.468 -9.823 12.995 1.00 0.00 C ATOM 795 CG GLN A 50 4.441 -8.346 12.632 1.00 0.00 C ATOM 796 CD GLN A 50 5.642 -7.595 13.178 1.00 0.00 C ATOM 797 OE1 GLN A 50 6.321 -6.872 12.447 1.00 0.00 O ATOM 798 NE2 GLN A 50 5.912 -7.767 14.467 1.00 0.00 N ATOM 0 H GLN A 50 5.355 -9.439 10.685 1.00 0.00 H new ATOM 0 HA GLN A 50 4.558 -11.754 12.096 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.736 -10.005 13.782 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.447 -10.065 13.408 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.413 -8.241 11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.527 -7.896 13.020 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.322 -8.375 15.035 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.709 -7.291 14.889 1.00 0.00 H new ATOM 807 N ALA A 51 2.191 -10.091 10.603 1.00 0.00 N ATOM 808 CA ALA A 51 0.789 -10.087 10.173 1.00 0.00 C ATOM 809 C ALA A 51 0.652 -10.988 8.944 1.00 0.00 C ATOM 810 O ALA A 51 -0.475 -11.215 8.506 1.00 0.00 O ATOM 811 CB ALA A 51 0.323 -8.674 9.860 1.00 0.00 C ATOM 0 H ALA A 51 2.773 -9.430 10.088 1.00 0.00 H new ATOM 0 HA ALA A 51 0.159 -10.467 10.978 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.720 -8.697 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.418 -8.054 10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.936 -8.257 9.061 1.00 0.00 H new ATOM 817 N LEU A 52 1.732 -11.481 8.353 1.00 0.00 N ATOM 818 CA LEU A 52 1.584 -12.311 7.153 1.00 0.00 C ATOM 819 C LEU A 52 0.582 -13.436 7.423 1.00 0.00 C ATOM 820 O LEU A 52 -0.440 -13.560 6.750 1.00 0.00 O ATOM 821 CB LEU A 52 2.934 -12.897 6.735 1.00 0.00 C ATOM 822 CG LEU A 52 3.416 -12.460 5.353 1.00 0.00 C ATOM 823 CD1 LEU A 52 3.595 -10.949 5.313 1.00 0.00 C ATOM 824 CD2 LEU A 52 4.713 -13.167 4.986 1.00 0.00 C ATOM 0 H LEU A 52 2.691 -11.331 8.666 1.00 0.00 H new ATOM 0 HA LEU A 52 1.213 -11.688 6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.683 -12.612 7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.865 -13.985 6.754 1.00 0.00 H new ATOM 0 HG LEU A 52 2.661 -12.739 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.939 -10.649 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.643 -10.464 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.332 -10.650 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.038 -12.841 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.481 -12.922 5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.550 -14.245 4.977 1.00 0.00 H new ATOM 836 N GLY A 53 0.873 -14.235 8.416 1.00 0.00 N ATOM 837 CA GLY A 53 -0.008 -15.320 8.782 1.00 0.00 C ATOM 838 C GLY A 53 0.590 -16.628 8.394 1.00 0.00 C ATOM 839 O GLY A 53 0.903 -17.485 9.221 1.00 0.00 O ATOM 0 H GLY A 53 1.714 -14.157 8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.192 -15.301 9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.973 -15.194 8.291 1.00 0.00 H new ATOM 843 N ASP A 54 0.837 -16.700 7.104 1.00 0.00 N ATOM 844 CA ASP A 54 1.509 -17.804 6.491 1.00 0.00 C ATOM 845 C ASP A 54 2.646 -17.197 5.703 1.00 0.00 C ATOM 846 O ASP A 54 3.813 -17.248 6.094 1.00 0.00 O ATOM 847 CB ASP A 54 0.570 -18.596 5.578 1.00 0.00 C ATOM 848 CG ASP A 54 -0.221 -19.648 6.329 1.00 0.00 C ATOM 849 OD1 ASP A 54 -1.002 -19.273 7.229 1.00 0.00 O ATOM 850 OD2 ASP A 54 -0.061 -20.846 6.017 1.00 0.00 O ATOM 0 H ASP A 54 0.566 -15.971 6.445 1.00 0.00 H new ATOM 0 HA ASP A 54 1.867 -18.514 7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.120 -17.909 5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.153 -19.077 4.792 1.00 0.00 H new ATOM 855 N ALA A 55 2.257 -16.574 4.608 1.00 0.00 N ATOM 856 CA ALA A 55 3.173 -15.869 3.732 1.00 0.00 C ATOM 857 C ALA A 55 2.496 -14.700 3.023 1.00 0.00 C ATOM 858 O ALA A 55 3.138 -13.714 2.658 1.00 0.00 O ATOM 859 CB ALA A 55 3.743 -16.811 2.705 1.00 0.00 C ATOM 0 H ALA A 55 1.286 -16.543 4.298 1.00 0.00 H new ATOM 0 HA ALA A 55 3.974 -15.472 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.429 -16.268 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.280 -17.616 3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.934 -17.232 2.109 1.00 0.00 H new ATOM 865 N ALA A 56 1.203 -14.869 2.749 1.00 0.00 N ATOM 866 CA ALA A 56 0.442 -13.873 1.993 1.00 0.00 C ATOM 867 C ALA A 56 -0.722 -13.260 2.757 1.00 0.00 C ATOM 868 O ALA A 56 -1.851 -13.744 2.676 1.00 0.00 O ATOM 869 CB ALA A 56 -0.060 -14.482 0.693 1.00 0.00 C ATOM 0 H ALA A 56 0.661 -15.683 3.038 1.00 0.00 H new ATOM 0 HA ALA A 56 1.136 -13.056 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.625 -13.735 0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.789 -14.815 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.704 -15.333 0.915 1.00 0.00 H new ATOM 875 N ASP A 57 -0.453 -12.181 3.465 1.00 0.00 N ATOM 876 CA ASP A 57 -1.504 -11.483 4.211 1.00 0.00 C ATOM 877 C ASP A 57 -1.921 -10.165 3.556 1.00 0.00 C ATOM 878 O ASP A 57 -2.628 -9.373 4.179 1.00 0.00 O ATOM 879 CB ASP A 57 -1.052 -11.175 5.630 1.00 0.00 C ATOM 880 CG ASP A 57 -2.195 -10.707 6.509 1.00 0.00 C ATOM 881 OD1 ASP A 57 -3.153 -11.484 6.704 1.00 0.00 O ATOM 882 OD2 ASP A 57 -2.132 -9.560 7.001 1.00 0.00 O ATOM 0 H ASP A 57 0.474 -11.764 3.545 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.358 -12.160 4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.602 -12.066 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.279 -10.407 5.604 1.00 0.00 H new ATOM 887 N ILE A 58 -1.480 -9.894 2.324 1.00 0.00 N ATOM 888 CA ILE A 58 -1.842 -8.623 1.684 1.00 0.00 C ATOM 889 C ILE A 58 -2.115 -8.751 0.196 1.00 0.00 C ATOM 890 O ILE A 58 -1.221 -8.476 -0.609 1.00 0.00 O ATOM 891 CB ILE A 58 -0.694 -7.602 1.795 1.00 0.00 C ATOM 892 CG1 ILE A 58 0.011 -7.688 3.149 1.00 0.00 C ATOM 893 CG2 ILE A 58 -1.217 -6.200 1.514 1.00 0.00 C ATOM 894 CD1 ILE A 58 1.498 -7.931 3.026 1.00 0.00 C ATOM 0 H ILE A 58 -0.892 -10.512 1.765 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.743 -8.304 2.208 1.00 0.00 H new ATOM 0 HB ILE A 58 0.057 -7.843 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.156 -6.762 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.436 -8.491 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.399 -5.484 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.635 -6.162 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.992 -5.949 2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.942 -7.982 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.671 -8.871 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.955 -7.115 2.466 1.00 0.00 H new ATOM 906 N ARG A 59 -3.300 -9.189 -0.216 1.00 0.00 N ATOM 907 CA ARG A 59 -3.557 -9.350 -1.637 1.00 0.00 C ATOM 908 C ARG A 59 -4.677 -8.437 -2.151 1.00 0.00 C ATOM 909 O ARG A 59 -5.005 -8.427 -3.340 1.00 0.00 O ATOM 910 CB ARG A 59 -3.902 -10.825 -1.922 1.00 0.00 C ATOM 911 CG ARG A 59 -4.173 -11.651 -0.663 1.00 0.00 C ATOM 912 CD ARG A 59 -4.235 -13.143 -0.954 1.00 0.00 C ATOM 913 NE ARG A 59 -4.935 -13.870 0.105 1.00 0.00 N ATOM 914 CZ ARG A 59 -6.231 -14.178 0.072 1.00 0.00 C ATOM 915 NH1 ARG A 59 -6.985 -13.822 -0.961 1.00 0.00 N ATOM 916 NH2 ARG A 59 -6.777 -14.838 1.084 1.00 0.00 N ATOM 0 H ARG A 59 -4.078 -9.433 0.398 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.652 -9.058 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.780 -10.865 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.080 -11.280 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.390 -11.458 0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.114 -11.331 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.741 -13.308 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.224 -13.536 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.396 -14.160 0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.573 -13.308 -1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.976 -14.063 -0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.205 -15.108 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.769 -15.075 1.062 1.00 0.00 H new ATOM 930 N PHE A 60 -5.269 -7.677 -1.211 1.00 0.00 N ATOM 931 CA PHE A 60 -6.359 -6.759 -1.488 1.00 0.00 C ATOM 932 C PHE A 60 -6.232 -5.573 -0.570 1.00 0.00 C ATOM 933 O PHE A 60 -5.734 -5.682 0.550 1.00 0.00 O ATOM 934 CB PHE A 60 -7.715 -7.436 -1.247 1.00 0.00 C ATOM 935 CG PHE A 60 -8.190 -8.345 -2.347 1.00 0.00 C ATOM 936 CD1 PHE A 60 -7.466 -9.470 -2.713 1.00 0.00 C ATOM 937 CD2 PHE A 60 -9.383 -8.082 -2.999 1.00 0.00 C ATOM 938 CE1 PHE A 60 -7.920 -10.307 -3.714 1.00 0.00 C ATOM 939 CE2 PHE A 60 -9.842 -8.919 -3.997 1.00 0.00 C ATOM 940 CZ PHE A 60 -9.110 -10.031 -4.357 1.00 0.00 C ATOM 0 H PHE A 60 -4.991 -7.693 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.306 -6.448 -2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.655 -8.012 -0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.465 -6.661 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.537 -9.694 -2.210 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.961 -7.212 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.344 -11.177 -3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.775 -8.703 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.467 -10.684 -5.140 1.00 0.00 H new ATOM 950 N VAL A 61 -6.622 -4.437 -1.089 1.00 0.00 N ATOM 951 CA VAL A 61 -6.491 -3.192 -0.364 1.00 0.00 C ATOM 952 C VAL A 61 -7.843 -2.515 -0.093 1.00 0.00 C ATOM 953 O VAL A 61 -8.605 -2.217 -1.012 1.00 0.00 O ATOM 954 CB VAL A 61 -5.563 -2.240 -1.149 1.00 0.00 C ATOM 955 CG1 VAL A 61 -4.449 -2.998 -1.852 1.00 0.00 C ATOM 956 CG2 VAL A 61 -6.316 -1.364 -2.138 1.00 0.00 C ATOM 0 H VAL A 61 -7.036 -4.345 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.059 -3.422 0.610 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.117 -1.578 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.816 -2.295 -2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.850 -3.531 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.881 -3.712 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.612 -0.716 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.834 -1.994 -2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.043 -0.753 -1.603 1.00 0.00 H new ATOM 966 N TYR A 62 -8.150 -2.329 1.186 1.00 0.00 N ATOM 967 CA TYR A 62 -9.413 -1.744 1.596 1.00 0.00 C ATOM 968 C TYR A 62 -9.277 -0.267 1.966 1.00 0.00 C ATOM 969 O TYR A 62 -8.764 0.079 3.031 1.00 0.00 O ATOM 970 CB TYR A 62 -9.984 -2.506 2.797 1.00 0.00 C ATOM 971 CG TYR A 62 -10.190 -3.993 2.578 1.00 0.00 C ATOM 972 CD1 TYR A 62 -9.194 -4.797 2.026 1.00 0.00 C ATOM 973 CD2 TYR A 62 -11.387 -4.597 2.944 1.00 0.00 C ATOM 974 CE1 TYR A 62 -9.388 -6.150 1.846 1.00 0.00 C ATOM 975 CE2 TYR A 62 -11.587 -5.953 2.765 1.00 0.00 C ATOM 976 CZ TYR A 62 -10.586 -6.725 2.217 1.00 0.00 C ATOM 977 OH TYR A 62 -10.784 -8.077 2.043 1.00 0.00 O ATOM 0 H TYR A 62 -7.533 -2.578 1.959 1.00 0.00 H new ATOM 0 HA TYR A 62 -10.087 -1.820 0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.314 -2.369 3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.940 -2.059 3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -8.254 -4.352 1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.174 -3.997 3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -8.605 -6.757 1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.524 -6.406 3.054 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.680 -8.319 2.357 1.00 0.00 H new ATOM 987 N THR A 63 -9.774 0.595 1.091 1.00 0.00 N ATOM 988 CA THR A 63 -9.775 2.050 1.311 1.00 0.00 C ATOM 989 C THR A 63 -11.218 2.559 1.423 1.00 0.00 C ATOM 990 O THR A 63 -12.064 2.215 0.605 1.00 0.00 O ATOM 991 CB THR A 63 -9.079 2.800 0.174 1.00 0.00 C ATOM 992 OG1 THR A 63 -9.328 4.189 0.279 1.00 0.00 O ATOM 993 CG2 THR A 63 -9.530 2.363 -1.203 1.00 0.00 C ATOM 0 H THR A 63 -10.191 0.313 0.204 1.00 0.00 H new ATOM 0 HA THR A 63 -9.228 2.238 2.235 1.00 0.00 H new ATOM 0 HB THR A 63 -8.019 2.569 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.632 4.605 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.995 2.937 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.319 1.302 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.601 2.535 -1.307 1.00 0.00 H new ATOM 1001 N PRO A 64 -11.518 3.377 2.445 1.00 0.00 N ATOM 1002 CA PRO A 64 -12.870 3.913 2.673 1.00 0.00 C ATOM 1003 C PRO A 64 -13.533 4.539 1.436 1.00 0.00 C ATOM 1004 O PRO A 64 -12.899 5.222 0.637 1.00 0.00 O ATOM 1005 CB PRO A 64 -12.650 4.980 3.738 1.00 0.00 C ATOM 1006 CG PRO A 64 -11.437 4.539 4.479 1.00 0.00 C ATOM 1007 CD PRO A 64 -10.567 3.830 3.479 1.00 0.00 C ATOM 0 HA PRO A 64 -13.552 3.110 2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.503 5.962 3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.511 5.059 4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.915 5.392 4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.704 3.876 5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.811 4.496 3.063 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.039 2.991 3.932 1.00 0.00 H new ATOM 1015 N ALA A 65 -14.837 4.282 1.327 1.00 0.00 N ATOM 1016 CA ALA A 65 -15.692 4.757 0.263 1.00 0.00 C ATOM 1017 C ALA A 65 -16.666 5.847 0.720 1.00 0.00 C ATOM 1018 O ALA A 65 -17.863 5.777 0.438 1.00 0.00 O ATOM 1019 CB ALA A 65 -16.474 3.593 -0.324 1.00 0.00 C ATOM 0 H ALA A 65 -15.337 3.713 2.010 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.042 5.202 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.118 3.955 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.780 2.852 -0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.086 3.136 0.454 1.00 0.00 H new ATOM 1025 N MET A 66 -16.156 6.854 1.415 1.00 0.00 N ATOM 1026 CA MET A 66 -16.991 7.957 1.895 1.00 0.00 C ATOM 1027 C MET A 66 -16.767 9.219 1.063 1.00 0.00 C ATOM 1028 O MET A 66 -15.848 9.283 0.248 1.00 0.00 O ATOM 1029 CB MET A 66 -16.693 8.258 3.364 1.00 0.00 C ATOM 1030 CG MET A 66 -17.926 8.282 4.248 1.00 0.00 C ATOM 1031 SD MET A 66 -17.534 8.548 5.991 1.00 0.00 S ATOM 1032 CE MET A 66 -15.967 7.689 6.143 1.00 0.00 C ATOM 0 H MET A 66 -15.169 6.934 1.661 1.00 0.00 H new ATOM 0 HA MET A 66 -18.032 7.649 1.794 1.00 0.00 H new ATOM 0 HB2 MET A 66 -15.999 7.509 3.745 1.00 0.00 H new ATOM 0 HB3 MET A 66 -16.190 9.222 3.432 1.00 0.00 H new ATOM 0 HG2 MET A 66 -18.597 9.071 3.907 1.00 0.00 H new ATOM 0 HG3 MET A 66 -18.462 7.339 4.141 1.00 0.00 H new ATOM 0 HE1 MET A 66 -15.907 7.213 7.122 1.00 0.00 H new ATOM 0 HE2 MET A 66 -15.891 6.930 5.365 1.00 0.00 H new ATOM 0 HE3 MET A 66 -15.149 8.402 6.035 1.00 0.00 H new ATOM 1042 N GLU A 67 -17.609 10.226 1.279 1.00 0.00 N ATOM 1043 CA GLU A 67 -17.492 11.488 0.556 1.00 0.00 C ATOM 1044 C GLU A 67 -16.250 12.253 1.016 1.00 0.00 C ATOM 1045 O GLU A 67 -15.363 12.556 0.217 1.00 0.00 O ATOM 1046 CB GLU A 67 -18.747 12.340 0.767 1.00 0.00 C ATOM 1047 CG GLU A 67 -19.466 12.695 -0.524 1.00 0.00 C ATOM 1048 CD GLU A 67 -18.957 13.983 -1.137 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -19.362 15.066 -0.666 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -18.152 13.911 -2.090 1.00 0.00 O ATOM 0 H GLU A 67 -18.378 10.192 1.948 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.392 11.270 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.435 11.803 1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.469 13.259 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.343 11.882 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.534 12.787 -0.327 1.00 0.00 H new ATOM 1057 N SER A 68 -16.191 12.549 2.314 1.00 0.00 N ATOM 1058 CA SER A 68 -15.054 13.265 2.892 1.00 0.00 C ATOM 1059 C SER A 68 -14.147 12.292 3.639 1.00 0.00 C ATOM 1060 O SER A 68 -14.007 12.354 4.860 1.00 0.00 O ATOM 1061 CB SER A 68 -15.537 14.370 3.833 1.00 0.00 C ATOM 1062 OG SER A 68 -15.722 15.592 3.135 1.00 0.00 O ATOM 0 H SER A 68 -16.918 12.304 2.986 1.00 0.00 H new ATOM 0 HA SER A 68 -14.486 13.726 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.475 14.069 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.812 14.512 4.635 1.00 0.00 H new ATOM 0 HG SER A 68 -16.032 16.281 3.759 1.00 0.00 H new ATOM 1068 N VAL A 69 -13.553 11.386 2.880 1.00 0.00 N ATOM 1069 CA VAL A 69 -12.666 10.358 3.411 1.00 0.00 C ATOM 1070 C VAL A 69 -11.384 10.321 2.590 1.00 0.00 C ATOM 1071 O VAL A 69 -10.973 11.337 2.031 1.00 0.00 O ATOM 1072 CB VAL A 69 -13.417 8.998 3.390 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -13.370 8.319 2.022 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -12.940 8.066 4.496 1.00 0.00 C ATOM 0 H VAL A 69 -13.673 11.341 1.868 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.385 10.577 4.441 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.464 9.227 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -13.910 7.373 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.833 8.967 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.333 8.131 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.492 7.127 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.875 7.869 4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.111 8.534 5.465 1.00 0.00 H new ATOM 1084 N CYS A 70 -10.799 9.150 2.458 1.00 0.00 N ATOM 1085 CA CYS A 70 -9.630 8.988 1.641 1.00 0.00 C ATOM 1086 C CYS A 70 -10.172 8.591 0.303 1.00 0.00 C ATOM 1087 O CYS A 70 -10.069 9.327 -0.678 1.00 0.00 O ATOM 1088 CB CYS A 70 -8.687 7.912 2.214 1.00 0.00 C ATOM 1089 SG CYS A 70 -9.128 7.296 3.883 1.00 0.00 S ATOM 0 H CYS A 70 -11.121 8.295 2.912 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.028 9.895 1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.666 7.067 1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.677 8.319 2.250 1.00 0.00 H new ATOM 1094 N GLY A 71 -10.753 7.420 0.281 1.00 0.00 N ATOM 1095 CA GLY A 71 -11.317 6.924 -0.934 1.00 0.00 C ATOM 1096 C GLY A 71 -10.245 6.813 -1.960 1.00 0.00 C ATOM 1097 O GLY A 71 -10.181 7.587 -2.915 1.00 0.00 O ATOM 0 H GLY A 71 -10.845 6.801 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.777 5.951 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.104 7.592 -1.283 1.00 0.00 H new ATOM 1101 N TYR A 72 -9.383 5.856 -1.730 1.00 0.00 N ATOM 1102 CA TYR A 72 -8.269 5.636 -2.604 1.00 0.00 C ATOM 1103 C TYR A 72 -8.786 5.085 -3.910 1.00 0.00 C ATOM 1104 O TYR A 72 -9.042 3.889 -4.051 1.00 0.00 O ATOM 1105 CB TYR A 72 -7.289 4.649 -1.960 1.00 0.00 C ATOM 1106 CG TYR A 72 -5.867 4.774 -2.458 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -5.590 4.865 -3.813 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -4.800 4.790 -1.569 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -4.290 4.967 -4.271 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -3.498 4.895 -2.016 1.00 0.00 C ATOM 1111 CZ TYR A 72 -3.246 4.982 -3.368 1.00 0.00 C ATOM 1112 OH TYR A 72 -1.946 5.078 -3.816 1.00 0.00 O ATOM 0 H TYR A 72 -9.436 5.215 -0.938 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.742 6.573 -2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.298 4.797 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.639 3.634 -2.145 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.404 4.856 -4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.992 4.719 -0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.092 5.035 -5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.681 4.909 -1.310 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.532 5.886 -3.448 1.00 0.00 H new ATOM 1122 N PHE A 73 -8.848 5.977 -4.892 1.00 0.00 N ATOM 1123 CA PHE A 73 -9.242 5.546 -6.224 1.00 0.00 C ATOM 1124 C PHE A 73 -8.036 5.546 -7.127 1.00 0.00 C ATOM 1125 O PHE A 73 -7.959 6.310 -8.091 1.00 0.00 O ATOM 1126 CB PHE A 73 -10.242 6.549 -6.823 1.00 0.00 C ATOM 1127 CG PHE A 73 -11.684 6.183 -6.754 1.00 0.00 C ATOM 1128 CD1 PHE A 73 -12.433 6.390 -5.614 1.00 0.00 C ATOM 1129 CD2 PHE A 73 -12.297 5.661 -7.876 1.00 0.00 C ATOM 1130 CE1 PHE A 73 -13.778 6.074 -5.595 1.00 0.00 C ATOM 1131 CE2 PHE A 73 -13.631 5.347 -7.870 1.00 0.00 C ATOM 1132 CZ PHE A 73 -14.381 5.551 -6.727 1.00 0.00 C ATOM 0 H PHE A 73 -8.638 6.971 -4.796 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.683 4.552 -6.147 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.110 7.505 -6.316 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.981 6.705 -7.870 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -11.965 6.801 -4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.716 5.498 -8.772 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -14.358 6.235 -4.699 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -14.095 4.941 -8.757 1.00 0.00 H new ATOM 0 HZ PHE A 73 -15.432 5.304 -6.717 1.00 0.00 H new ATOM 1142 N HIS A 74 -7.089 4.688 -6.814 1.00 0.00 N ATOM 1143 CA HIS A 74 -5.883 4.603 -7.603 1.00 0.00 C ATOM 1144 C HIS A 74 -6.211 4.539 -9.092 1.00 0.00 C ATOM 1145 O HIS A 74 -7.228 3.977 -9.500 1.00 0.00 O ATOM 1146 CB HIS A 74 -5.166 3.340 -7.122 1.00 0.00 C ATOM 1147 CG HIS A 74 -4.112 2.790 -8.021 1.00 0.00 C ATOM 1148 ND1 HIS A 74 -4.078 1.468 -8.403 1.00 0.00 N ATOM 1149 CD2 HIS A 74 -3.014 3.364 -8.559 1.00 0.00 C ATOM 1150 CE1 HIS A 74 -3.002 1.249 -9.130 1.00 0.00 C ATOM 1151 NE2 HIS A 74 -2.334 2.382 -9.239 1.00 0.00 N ATOM 0 H HIS A 74 -7.131 4.044 -6.024 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.251 5.482 -7.478 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -4.712 3.553 -6.154 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.914 2.564 -6.959 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -4.778 0.767 -8.161 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.725 4.401 -8.471 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.715 0.302 -9.564 1.00 0.00 H new ATOM 1160 N ARG A 75 -5.345 5.156 -9.883 1.00 0.00 N ATOM 1161 CA ARG A 75 -5.532 5.218 -11.325 1.00 0.00 C ATOM 1162 C ARG A 75 -4.305 4.711 -12.074 1.00 0.00 C ATOM 1163 O ARG A 75 -3.736 5.406 -12.917 1.00 0.00 O ATOM 1164 CB ARG A 75 -5.880 6.650 -11.753 1.00 0.00 C ATOM 1165 CG ARG A 75 -7.083 7.237 -11.015 1.00 0.00 C ATOM 1166 CD ARG A 75 -8.338 6.389 -11.204 1.00 0.00 C ATOM 1167 NE ARG A 75 -8.872 6.496 -12.560 1.00 0.00 N ATOM 1168 CZ ARG A 75 -9.768 5.655 -13.071 1.00 0.00 C ATOM 1169 NH1 ARG A 75 -10.225 4.642 -12.346 1.00 0.00 N ATOM 1170 NH2 ARG A 75 -10.207 5.826 -14.311 1.00 0.00 N ATOM 0 H ARG A 75 -4.502 5.623 -9.548 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.363 4.562 -11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.014 7.290 -11.585 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.081 6.661 -12.824 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.854 7.314 -9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.271 8.249 -11.375 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.107 5.346 -10.987 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.099 6.703 -10.489 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.539 7.259 -13.149 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.890 4.505 -11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.912 4.000 -12.742 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.858 6.602 -14.873 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.894 5.181 -14.702 1.00 0.00 H new ATOM 1184 N SER A 76 -3.925 3.476 -11.773 1.00 0.00 N ATOM 1185 CA SER A 76 -2.793 2.833 -12.420 1.00 0.00 C ATOM 1186 C SER A 76 -2.906 1.319 -12.277 1.00 0.00 C ATOM 1187 O SER A 76 -2.055 0.680 -11.658 1.00 0.00 O ATOM 1188 CB SER A 76 -1.457 3.334 -11.846 1.00 0.00 C ATOM 1189 OG SER A 76 -1.194 4.665 -12.254 1.00 0.00 O ATOM 0 H SER A 76 -4.392 2.895 -11.076 1.00 0.00 H new ATOM 0 HA SER A 76 -2.811 3.094 -13.478 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.483 3.282 -10.758 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.648 2.682 -12.177 1.00 0.00 H new ATOM 0 HG SER A 76 -2.006 5.055 -12.640 1.00 0.00 H new ATOM 1195 N HIS A 77 -3.969 0.748 -12.853 1.00 0.00 N ATOM 1196 CA HIS A 77 -4.203 -0.701 -12.793 1.00 0.00 C ATOM 1197 C HIS A 77 -3.196 -1.456 -13.666 1.00 0.00 C ATOM 1198 O HIS A 77 -3.544 -2.364 -14.419 1.00 0.00 O ATOM 1199 CB HIS A 77 -5.635 -1.043 -13.211 1.00 0.00 C ATOM 1200 CG HIS A 77 -6.092 -0.355 -14.459 1.00 0.00 C ATOM 1201 ND1 HIS A 77 -5.431 0.440 -15.333 1.00 0.00 N flip ATOM 1202 CD2 HIS A 77 -7.383 -0.448 -14.930 1.00 0.00 C flip ATOM 1203 CE1 HIS A 77 -6.326 0.809 -16.306 1.00 0.00 C flip ATOM 1204 NE2 HIS A 77 -7.497 0.258 -16.039 1.00 0.00 N flip ATOM 0 H HIS A 77 -4.682 1.266 -13.366 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.064 -1.017 -11.759 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.712 -2.121 -13.355 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.311 -0.781 -12.397 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -8.178 -1.011 -14.464 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.109 1.445 -17.151 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -8.345 0.361 -16.596 1.00 0.00 H new ATOM 1213 N ASN A 78 -1.951 -1.034 -13.543 1.00 0.00 N ATOM 1214 CA ASN A 78 -0.874 -1.631 -14.309 1.00 0.00 C ATOM 1215 C ASN A 78 -0.645 -3.067 -13.842 1.00 0.00 C ATOM 1216 O ASN A 78 -0.311 -3.307 -12.682 1.00 0.00 O ATOM 1217 CB ASN A 78 0.404 -0.805 -14.198 1.00 0.00 C ATOM 1218 CG ASN A 78 1.193 -0.825 -15.493 1.00 0.00 C ATOM 1219 OD1 ASN A 78 1.614 -2.012 -15.913 1.00 0.00 O flip ATOM 1220 ND2 ASN A 78 1.420 0.216 -16.110 1.00 0.00 N flip ATOM 0 H ASN A 78 -1.661 -0.280 -12.920 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.158 -1.646 -15.361 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.152 0.224 -13.940 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.021 -1.195 -13.389 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.077 1.107 -15.751 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.951 0.187 -16.981 1.00 0.00 H new ATOM 1227 N ARG A 79 -0.891 -4.021 -14.738 1.00 0.00 N ATOM 1228 CA ARG A 79 -0.785 -5.445 -14.412 1.00 0.00 C ATOM 1229 C ARG A 79 0.646 -5.906 -14.122 1.00 0.00 C ATOM 1230 O ARG A 79 0.857 -6.765 -13.266 1.00 0.00 O ATOM 1231 CB ARG A 79 -1.400 -6.317 -15.531 1.00 0.00 C ATOM 1232 CG ARG A 79 -1.496 -5.655 -16.909 1.00 0.00 C ATOM 1233 CD ARG A 79 -0.164 -5.079 -17.365 1.00 0.00 C ATOM 1234 NE ARG A 79 0.403 -5.807 -18.498 1.00 0.00 N ATOM 1235 CZ ARG A 79 1.618 -5.566 -18.995 1.00 0.00 C ATOM 1236 NH1 ARG A 79 2.376 -4.609 -18.475 1.00 0.00 N ATOM 1237 NH2 ARG A 79 2.074 -6.279 -20.017 1.00 0.00 N ATOM 0 H ARG A 79 -1.167 -3.833 -15.702 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.351 -5.576 -13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.807 -7.227 -15.625 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.401 -6.619 -15.223 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.842 -6.387 -17.638 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.241 -4.860 -16.877 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.300 -4.033 -17.641 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.541 -5.101 -16.534 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.160 -6.538 -18.932 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.031 -4.054 -17.692 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.304 -4.429 -18.858 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.496 -7.013 -20.425 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.003 -6.093 -20.395 1.00 0.00 H new ATOM 1251 N SER A 80 1.624 -5.364 -14.835 1.00 0.00 N ATOM 1252 CA SER A 80 3.014 -5.764 -14.637 1.00 0.00 C ATOM 1253 C SER A 80 3.834 -4.618 -14.056 1.00 0.00 C ATOM 1254 O SER A 80 5.054 -4.748 -13.936 1.00 0.00 O ATOM 1255 CB SER A 80 3.611 -6.226 -15.969 1.00 0.00 C ATOM 1256 OG SER A 80 2.760 -7.161 -16.611 1.00 0.00 O ATOM 0 H SER A 80 1.484 -4.651 -15.551 1.00 0.00 H new ATOM 0 HA SER A 80 3.042 -6.589 -13.925 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.768 -5.365 -16.619 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.588 -6.677 -15.797 1.00 0.00 H new ATOM 0 HG SER A 80 3.162 -7.440 -17.460 1.00 0.00 H new ATOM 1262 N GLU A 81 3.202 -3.523 -13.654 1.00 0.00 N ATOM 1263 CA GLU A 81 3.969 -2.442 -13.052 1.00 0.00 C ATOM 1264 C GLU A 81 3.987 -2.573 -11.536 1.00 0.00 C ATOM 1265 O GLU A 81 2.940 -2.545 -10.889 1.00 0.00 O ATOM 1266 CB GLU A 81 3.470 -1.064 -13.464 1.00 0.00 C ATOM 1267 CG GLU A 81 4.583 -0.030 -13.520 1.00 0.00 C ATOM 1268 CD GLU A 81 5.287 0.003 -14.863 1.00 0.00 C ATOM 1269 OE1 GLU A 81 5.955 -0.996 -15.209 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.175 1.028 -15.569 1.00 0.00 O ATOM 0 H GLU A 81 2.198 -3.362 -13.729 1.00 0.00 H new ATOM 0 HA GLU A 81 4.987 -2.534 -13.429 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.993 -1.132 -14.442 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.707 -0.733 -12.760 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.168 0.955 -13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.312 -0.244 -12.738 1.00 0.00 H new ATOM 1277 N GLU A 82 5.175 -2.703 -10.977 1.00 0.00 N ATOM 1278 CA GLU A 82 5.328 -2.828 -9.531 1.00 0.00 C ATOM 1279 C GLU A 82 4.942 -1.516 -8.863 1.00 0.00 C ATOM 1280 O GLU A 82 4.744 -0.504 -9.534 1.00 0.00 O ATOM 1281 CB GLU A 82 6.748 -3.251 -9.119 1.00 0.00 C ATOM 1282 CG GLU A 82 7.772 -3.232 -10.240 1.00 0.00 C ATOM 1283 CD GLU A 82 9.178 -2.990 -9.732 1.00 0.00 C ATOM 1284 OE1 GLU A 82 9.625 -3.743 -8.842 1.00 0.00 O ATOM 1285 OE2 GLU A 82 9.831 -2.046 -10.223 1.00 0.00 O ATOM 0 H GLU A 82 6.052 -2.725 -11.498 1.00 0.00 H new ATOM 0 HA GLU A 82 4.661 -3.622 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.091 -2.591 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.705 -4.258 -8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.740 -4.182 -10.774 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.508 -2.454 -10.956 1.00 0.00 H new ATOM 1292 N PHE A 83 4.824 -1.539 -7.545 1.00 0.00 N ATOM 1293 CA PHE A 83 4.451 -0.356 -6.786 1.00 0.00 C ATOM 1294 C PHE A 83 4.989 -0.427 -5.361 1.00 0.00 C ATOM 1295 O PHE A 83 5.528 -1.445 -4.933 1.00 0.00 O ATOM 1296 CB PHE A 83 2.928 -0.156 -6.762 1.00 0.00 C ATOM 1297 CG PHE A 83 2.408 0.761 -7.845 1.00 0.00 C ATOM 1298 CD1 PHE A 83 2.037 0.277 -9.092 1.00 0.00 C ATOM 1299 CD2 PHE A 83 2.295 2.122 -7.603 1.00 0.00 C ATOM 1300 CE1 PHE A 83 1.567 1.134 -10.069 1.00 0.00 C ATOM 1301 CE2 PHE A 83 1.825 2.980 -8.577 1.00 0.00 C ATOM 1302 CZ PHE A 83 1.462 2.486 -9.812 1.00 0.00 C ATOM 0 H PHE A 83 4.982 -2.370 -6.975 1.00 0.00 H new ATOM 0 HA PHE A 83 4.900 0.501 -7.289 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.443 -1.127 -6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.641 0.247 -5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.116 -0.780 -9.301 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.579 2.516 -6.638 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.281 0.745 -11.035 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.742 4.037 -8.372 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.096 3.155 -10.577 1.00 0.00 H new ATOM 1312 N LEU A 84 4.801 0.664 -4.638 1.00 0.00 N ATOM 1313 CA LEU A 84 5.220 0.758 -3.243 1.00 0.00 C ATOM 1314 C LEU A 84 3.993 1.062 -2.383 1.00 0.00 C ATOM 1315 O LEU A 84 3.281 2.035 -2.634 1.00 0.00 O ATOM 1316 CB LEU A 84 6.289 1.841 -3.068 1.00 0.00 C ATOM 1317 CG LEU A 84 6.987 1.873 -1.705 1.00 0.00 C ATOM 1318 CD1 LEU A 84 6.099 2.538 -0.665 1.00 0.00 C ATOM 1319 CD2 LEU A 84 7.375 0.469 -1.261 1.00 0.00 C ATOM 0 H LEU A 84 4.356 1.509 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 84 5.661 -0.188 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.046 1.706 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.827 2.813 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 84 7.900 2.461 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.612 2.551 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.880 3.560 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.167 1.980 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.869 0.518 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.480 -0.148 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.054 0.031 -1.992 1.00 0.00 H new ATOM 1331 N ILE A 85 3.723 0.200 -1.408 1.00 0.00 N ATOM 1332 CA ILE A 85 2.526 0.394 -0.586 1.00 0.00 C ATOM 1333 C ILE A 85 2.804 0.459 0.926 1.00 0.00 C ATOM 1334 O ILE A 85 2.942 -0.565 1.579 1.00 0.00 O ATOM 1335 CB ILE A 85 1.527 -0.747 -0.885 1.00 0.00 C ATOM 1336 CG1 ILE A 85 1.126 -0.712 -2.362 1.00 0.00 C ATOM 1337 CG2 ILE A 85 0.288 -0.650 0.002 1.00 0.00 C ATOM 1338 CD1 ILE A 85 0.739 -2.063 -2.924 1.00 0.00 C ATOM 0 H ILE A 85 4.291 -0.613 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 85 2.113 1.367 -0.854 1.00 0.00 H new ATOM 0 HB ILE A 85 2.018 -1.695 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.289 -0.025 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.956 -0.311 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.394 -1.467 -0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.584 -0.716 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.212 0.302 -0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.468 -1.956 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.581 -2.749 -2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.111 -2.458 -2.368 1.00 0.00 H new ATOM 1350 N ALA A 86 2.723 1.679 1.472 1.00 0.00 N ATOM 1351 CA ALA A 86 2.793 1.902 2.927 1.00 0.00 C ATOM 1352 C ALA A 86 1.332 2.002 3.400 1.00 0.00 C ATOM 1353 O ALA A 86 0.602 2.917 3.019 1.00 0.00 O ATOM 1354 CB ALA A 86 3.584 3.154 3.278 1.00 0.00 C ATOM 0 H ALA A 86 2.608 2.533 0.927 1.00 0.00 H new ATOM 0 HA ALA A 86 3.321 1.088 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.608 3.277 4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.602 3.059 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.109 4.024 2.824 1.00 0.00 H new ATOM 1360 N GLY A 87 0.933 1.048 4.252 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.416 1.008 4.815 1.00 0.00 C ATOM 1362 C GLY A 87 -0.457 0.332 6.192 1.00 0.00 C ATOM 1363 O GLY A 87 0.575 0.118 6.811 1.00 0.00 O ATOM 0 H GLY A 87 1.536 0.288 4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.801 2.024 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.076 0.474 4.132 1.00 0.00 H new ATOM 1367 N LYS A 88 -1.664 0.005 6.660 1.00 0.00 N ATOM 1368 CA LYS A 88 -1.893 -0.641 7.957 1.00 0.00 C ATOM 1369 C LYS A 88 -2.901 -1.791 7.768 1.00 0.00 C ATOM 1370 O LYS A 88 -3.454 -1.945 6.680 1.00 0.00 O ATOM 1371 CB LYS A 88 -2.413 0.418 8.956 1.00 0.00 C ATOM 1372 CG LYS A 88 -2.825 -0.092 10.340 1.00 0.00 C ATOM 1373 CD LYS A 88 -2.470 0.911 11.434 1.00 0.00 C ATOM 1374 CE LYS A 88 -3.663 1.228 12.326 1.00 0.00 C ATOM 1375 NZ LYS A 88 -3.657 0.418 13.577 1.00 0.00 N ATOM 0 H LYS A 88 -2.524 0.184 6.141 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.970 -1.061 8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.638 1.173 9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.271 0.918 8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.898 -0.283 10.354 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.330 -1.042 10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.658 0.512 12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.104 1.831 10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.654 2.288 12.581 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.586 1.040 11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.486 0.665 14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.692 -0.593 13.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.789 0.616 14.115 1.00 0.00 H new ATOM 1389 N LEU A 89 -3.140 -2.607 8.803 1.00 0.00 N ATOM 1390 CA LEU A 89 -4.075 -3.735 8.699 1.00 0.00 C ATOM 1391 C LEU A 89 -5.270 -3.593 9.638 1.00 0.00 C ATOM 1392 O LEU A 89 -5.104 -3.566 10.858 1.00 0.00 O ATOM 1393 CB LEU A 89 -3.357 -5.047 9.029 1.00 0.00 C ATOM 1394 CG LEU A 89 -2.784 -5.801 7.834 1.00 0.00 C ATOM 1395 CD1 LEU A 89 -2.125 -7.096 8.284 1.00 0.00 C ATOM 1396 CD2 LEU A 89 -3.878 -6.097 6.827 1.00 0.00 C ATOM 0 H LEU A 89 -2.701 -2.508 9.718 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.442 -3.740 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.545 -4.832 9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.056 -5.702 9.549 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.029 -5.173 7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.722 -7.620 7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.317 -6.870 8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.863 -7.727 8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.456 -6.636 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.649 -6.707 7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.317 -5.161 6.481 1.00 0.00 H new ATOM 1408 N GLN A 90 -6.479 -3.537 9.076 1.00 0.00 N ATOM 1409 CA GLN A 90 -7.695 -3.444 9.870 1.00 0.00 C ATOM 1410 C GLN A 90 -8.354 -4.823 9.983 1.00 0.00 C ATOM 1411 O GLN A 90 -8.883 -5.359 9.010 1.00 0.00 O ATOM 1412 CB GLN A 90 -8.663 -2.437 9.253 1.00 0.00 C ATOM 1413 CG GLN A 90 -8.743 -1.129 10.019 1.00 0.00 C ATOM 1414 CD GLN A 90 -8.068 0.018 9.290 1.00 0.00 C ATOM 1415 OE1 GLN A 90 -8.732 0.868 8.697 1.00 0.00 O ATOM 1416 NE2 GLN A 90 -6.741 0.047 9.332 1.00 0.00 N ATOM 0 H GLN A 90 -6.637 -3.555 8.068 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.434 -3.097 10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.356 -2.231 8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.657 -2.882 9.205 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.789 -0.878 10.193 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.279 -1.256 10.997 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.231 -0.679 9.836 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.232 0.795 8.861 1.00 0.00 H new ATOM 1425 N ASP A 91 -8.355 -5.348 11.199 1.00 0.00 N ATOM 1426 CA ASP A 91 -8.996 -6.632 11.492 1.00 0.00 C ATOM 1427 C ASP A 91 -8.703 -7.736 10.470 1.00 0.00 C ATOM 1428 O ASP A 91 -9.545 -8.607 10.243 1.00 0.00 O ATOM 1429 CB ASP A 91 -10.507 -6.434 11.613 1.00 0.00 C ATOM 1430 CG ASP A 91 -10.938 -6.165 13.042 1.00 0.00 C ATOM 1431 OD1 ASP A 91 -10.689 -7.026 13.910 1.00 0.00 O ATOM 1432 OD2 ASP A 91 -11.524 -5.090 13.291 1.00 0.00 O ATOM 0 H ASP A 91 -7.917 -4.905 12.007 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.566 -6.974 12.434 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.814 -5.601 10.980 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.019 -7.322 11.242 1.00 0.00 H new ATOM 1437 N GLY A 92 -7.508 -7.738 9.897 1.00 0.00 N ATOM 1438 CA GLY A 92 -7.172 -8.806 8.965 1.00 0.00 C ATOM 1439 C GLY A 92 -7.023 -8.403 7.507 1.00 0.00 C ATOM 1440 O GLY A 92 -6.637 -9.224 6.675 1.00 0.00 O ATOM 0 H GLY A 92 -6.779 -7.041 10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.238 -9.264 9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.943 -9.573 9.031 1.00 0.00 H new ATOM 1444 N LEU A 93 -7.368 -7.161 7.179 1.00 0.00 N ATOM 1445 CA LEU A 93 -7.307 -6.702 5.792 1.00 0.00 C ATOM 1446 C LEU A 93 -6.463 -5.453 5.643 1.00 0.00 C ATOM 1447 O LEU A 93 -6.314 -4.671 6.582 1.00 0.00 O ATOM 1448 CB LEU A 93 -8.716 -6.415 5.257 1.00 0.00 C ATOM 1449 CG LEU A 93 -9.711 -7.577 5.334 1.00 0.00 C ATOM 1450 CD1 LEU A 93 -9.132 -8.836 4.706 1.00 0.00 C ATOM 1451 CD2 LEU A 93 -10.126 -7.833 6.776 1.00 0.00 C ATOM 0 H LEU A 93 -7.690 -6.460 7.846 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.844 -7.503 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -9.129 -5.572 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.632 -6.103 4.216 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.599 -7.299 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.860 -9.645 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.899 -8.646 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.222 -9.121 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.833 -8.662 6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.246 -8.082 7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.597 -6.938 7.183 1.00 0.00 H new ATOM 1463 N LEU A 94 -5.922 -5.262 4.446 1.00 0.00 N ATOM 1464 CA LEU A 94 -5.113 -4.099 4.168 1.00 0.00 C ATOM 1465 C LEU A 94 -5.988 -2.868 4.090 1.00 0.00 C ATOM 1466 O LEU A 94 -7.171 -2.948 3.758 1.00 0.00 O ATOM 1467 CB LEU A 94 -4.331 -4.261 2.868 1.00 0.00 C ATOM 1468 CG LEU A 94 -3.430 -3.077 2.515 1.00 0.00 C ATOM 1469 CD1 LEU A 94 -2.333 -2.906 3.553 1.00 0.00 C ATOM 1470 CD2 LEU A 94 -2.833 -3.254 1.129 1.00 0.00 C ATOM 0 H LEU A 94 -6.033 -5.901 3.658 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.396 -3.987 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.718 -5.159 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.036 -4.420 2.052 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.040 -2.174 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.704 -2.058 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.781 -2.727 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.725 -3.810 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.195 -2.401 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.241 -4.169 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.635 -3.319 0.393 1.00 0.00 H new ATOM 1482 N HIS A 95 -5.387 -1.732 4.356 1.00 0.00 N ATOM 1483 CA HIS A 95 -6.086 -0.473 4.282 1.00 0.00 C ATOM 1484 C HIS A 95 -5.141 0.594 3.790 1.00 0.00 C ATOM 1485 O HIS A 95 -3.951 0.581 4.105 1.00 0.00 O ATOM 1486 CB HIS A 95 -6.684 -0.086 5.633 1.00 0.00 C ATOM 1487 CG HIS A 95 -8.047 -0.664 5.861 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -8.463 -1.951 5.930 1.00 0.00 N flip ATOM 1489 CD2 HIS A 95 -9.174 0.112 6.042 1.00 0.00 C flip ATOM 1490 CE1 HIS A 95 -9.818 -1.926 6.146 1.00 0.00 C flip ATOM 1491 NE2 HIS A 95 -10.222 -0.672 6.210 1.00 0.00 N flip ATOM 0 H HIS A 95 -4.407 -1.655 4.628 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.914 -0.574 3.581 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.017 -0.420 6.428 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.741 1.000 5.700 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -7.879 -2.782 5.839 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -9.195 1.192 6.046 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.452 -2.794 6.247 1.00 0.00 H new ATOM 1500 N ILE A 96 -5.666 1.524 3.017 1.00 0.00 N ATOM 1501 CA ILE A 96 -4.845 2.597 2.491 1.00 0.00 C ATOM 1502 C ILE A 96 -5.547 3.929 2.637 1.00 0.00 C ATOM 1503 O ILE A 96 -6.773 4.022 2.563 1.00 0.00 O ATOM 1504 CB ILE A 96 -4.450 2.389 1.006 1.00 0.00 C ATOM 1505 CG1 ILE A 96 -4.904 1.022 0.495 1.00 0.00 C ATOM 1506 CG2 ILE A 96 -2.946 2.550 0.832 1.00 0.00 C ATOM 1507 CD1 ILE A 96 -4.145 -0.133 1.111 1.00 0.00 C ATOM 0 H ILE A 96 -6.647 1.559 2.741 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.928 2.590 3.080 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.957 3.151 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.967 0.900 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.784 0.989 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.683 2.401 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.649 3.552 1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.428 1.812 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.518 -1.072 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.084 -0.034 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.285 -0.125 2.192 1.00 0.00 H new ATOM 1519 N THR A 97 -4.751 4.960 2.830 1.00 0.00 N ATOM 1520 CA THR A 97 -5.261 6.304 2.974 1.00 0.00 C ATOM 1521 C THR A 97 -4.374 7.257 2.200 1.00 0.00 C ATOM 1522 O THR A 97 -3.154 7.092 2.166 1.00 0.00 O ATOM 1523 CB THR A 97 -5.318 6.708 4.451 1.00 0.00 C ATOM 1524 OG1 THR A 97 -4.025 6.673 5.031 1.00 0.00 O ATOM 1525 CG2 THR A 97 -6.216 5.814 5.283 1.00 0.00 C ATOM 0 H THR A 97 -3.735 4.889 2.891 1.00 0.00 H new ATOM 0 HA THR A 97 -6.275 6.346 2.577 1.00 0.00 H new ATOM 0 HB THR A 97 -5.728 7.718 4.458 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.082 6.936 5.973 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.211 6.155 6.318 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.233 5.855 4.892 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.851 4.788 5.238 1.00 0.00 H new ATOM 1533 N THR A 98 -4.979 8.250 1.582 1.00 0.00 N ATOM 1534 CA THR A 98 -4.216 9.220 0.816 1.00 0.00 C ATOM 1535 C THR A 98 -3.342 10.081 1.732 1.00 0.00 C ATOM 1536 O THR A 98 -2.573 10.914 1.249 1.00 0.00 O ATOM 1537 CB THR A 98 -5.111 10.083 -0.085 1.00 0.00 C ATOM 1538 OG1 THR A 98 -4.612 11.409 -0.177 1.00 0.00 O ATOM 1539 CG2 THR A 98 -6.558 10.167 0.358 1.00 0.00 C ATOM 0 H THR A 98 -5.987 8.408 1.593 1.00 0.00 H new ATOM 0 HA THR A 98 -3.556 8.659 0.154 1.00 0.00 H new ATOM 0 HB THR A 98 -5.087 9.577 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.268 11.974 -0.635 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.115 10.796 -0.336 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.993 9.168 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.608 10.598 1.358 1.00 0.00 H new ATOM 1547 N CYS A 99 -3.412 9.848 3.050 1.00 0.00 N ATOM 1548 CA CYS A 99 -2.584 10.562 4.018 1.00 0.00 C ATOM 1549 C CYS A 99 -1.469 9.617 4.463 1.00 0.00 C ATOM 1550 O CYS A 99 -0.917 9.748 5.556 1.00 0.00 O ATOM 1551 CB CYS A 99 -3.405 10.982 5.248 1.00 0.00 C ATOM 1552 SG CYS A 99 -4.449 12.463 5.037 1.00 0.00 S ATOM 0 H CYS A 99 -4.042 9.163 3.468 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.183 11.464 3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.044 10.148 5.537 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -2.719 11.159 6.076 1.00 0.00 H new ATOM 1557 N SER A 100 -1.164 8.651 3.598 1.00 0.00 N ATOM 1558 CA SER A 100 -0.144 7.651 3.860 1.00 0.00 C ATOM 1559 C SER A 100 0.834 7.579 2.695 1.00 0.00 C ATOM 1560 O SER A 100 0.519 8.001 1.581 1.00 0.00 O ATOM 1561 CB SER A 100 -0.785 6.285 4.104 1.00 0.00 C ATOM 1562 OG SER A 100 -0.095 5.572 5.115 1.00 0.00 O ATOM 0 H SER A 100 -1.623 8.544 2.693 1.00 0.00 H new ATOM 0 HA SER A 100 0.404 7.939 4.757 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.828 6.415 4.394 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.781 5.707 3.180 1.00 0.00 H new ATOM 0 HG SER A 100 -0.525 4.702 5.254 1.00 0.00 H new ATOM 1568 N PHE A 101 2.016 7.041 2.953 1.00 0.00 N ATOM 1569 CA PHE A 101 3.019 6.915 1.904 1.00 0.00 C ATOM 1570 C PHE A 101 2.607 5.841 0.890 1.00 0.00 C ATOM 1571 O PHE A 101 2.655 4.651 1.188 1.00 0.00 O ATOM 1572 CB PHE A 101 4.392 6.595 2.489 1.00 0.00 C ATOM 1573 CG PHE A 101 5.511 6.824 1.517 1.00 0.00 C ATOM 1574 CD1 PHE A 101 5.681 5.985 0.429 1.00 0.00 C ATOM 1575 CD2 PHE A 101 6.384 7.886 1.684 1.00 0.00 C ATOM 1576 CE1 PHE A 101 6.703 6.201 -0.476 1.00 0.00 C ATOM 1577 CE2 PHE A 101 7.409 8.107 0.784 1.00 0.00 C ATOM 1578 CZ PHE A 101 7.569 7.263 -0.298 1.00 0.00 C ATOM 0 H PHE A 101 2.303 6.689 3.866 1.00 0.00 H new ATOM 0 HA PHE A 101 3.086 7.874 1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.556 7.209 3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.408 5.555 2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.008 5.153 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.262 8.549 2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.825 5.540 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.084 8.938 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.369 7.433 -1.003 1.00 0.00 H new ATOM 1588 N VAL A 102 2.196 6.260 -0.310 1.00 0.00 N ATOM 1589 CA VAL A 102 1.771 5.302 -1.338 1.00 0.00 C ATOM 1590 C VAL A 102 2.095 5.779 -2.754 1.00 0.00 C ATOM 1591 O VAL A 102 1.415 6.656 -3.288 1.00 0.00 O ATOM 1592 CB VAL A 102 0.251 5.034 -1.269 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -0.121 3.847 -2.143 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -0.207 4.811 0.166 1.00 0.00 C ATOM 0 H VAL A 102 2.148 7.239 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 102 2.328 4.389 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.263 5.918 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.195 3.673 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.155 4.056 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.410 2.960 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.281 4.625 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.316 3.951 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.016 5.697 0.761 1.00 0.00 H new ATOM 1604 N ALA A 103 3.130 5.199 -3.364 1.00 0.00 N ATOM 1605 CA ALA A 103 3.516 5.589 -4.727 1.00 0.00 C ATOM 1606 C ALA A 103 4.369 4.524 -5.427 1.00 0.00 C ATOM 1607 O ALA A 103 4.836 3.578 -4.800 1.00 0.00 O ATOM 1608 CB ALA A 103 4.245 6.923 -4.702 1.00 0.00 C ATOM 0 H ALA A 103 3.709 4.470 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 103 2.598 5.687 -5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.527 7.203 -5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.591 7.687 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.141 6.836 -4.088 1.00 0.00 H new ATOM 1614 N PRO A 104 4.569 4.668 -6.758 1.00 0.00 N ATOM 1615 CA PRO A 104 5.353 3.719 -7.565 1.00 0.00 C ATOM 1616 C PRO A 104 6.735 3.441 -7.054 1.00 0.00 C ATOM 1617 O PRO A 104 7.569 4.343 -6.966 1.00 0.00 O ATOM 1618 CB PRO A 104 5.512 4.427 -8.905 1.00 0.00 C ATOM 1619 CG PRO A 104 4.302 5.287 -9.006 1.00 0.00 C ATOM 1620 CD PRO A 104 4.027 5.759 -7.597 1.00 0.00 C ATOM 0 HA PRO A 104 4.840 2.758 -7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.426 5.020 -8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.565 3.715 -9.728 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.473 6.129 -9.676 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.455 4.729 -9.406 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.519 6.709 -7.388 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.961 5.907 -7.424 1.00 0.00 H new ATOM 1628 N TRP A 105 7.010 2.171 -6.825 1.00 0.00 N ATOM 1629 CA TRP A 105 8.337 1.758 -6.452 1.00 0.00 C ATOM 1630 C TRP A 105 9.249 2.376 -7.464 1.00 0.00 C ATOM 1631 O TRP A 105 10.229 3.041 -7.142 1.00 0.00 O ATOM 1632 CB TRP A 105 8.445 0.250 -6.575 1.00 0.00 C ATOM 1633 CG TRP A 105 9.699 -0.351 -6.051 1.00 0.00 C ATOM 1634 CD1 TRP A 105 10.612 -1.050 -6.776 1.00 0.00 C ATOM 1635 CD2 TRP A 105 10.172 -0.339 -4.702 1.00 0.00 C ATOM 1636 NE1 TRP A 105 11.627 -1.472 -5.969 1.00 0.00 N ATOM 1637 CE2 TRP A 105 11.384 -1.049 -4.687 1.00 0.00 C ATOM 1638 CE3 TRP A 105 9.695 0.204 -3.505 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 12.123 -1.233 -3.527 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 10.437 0.023 -2.352 1.00 0.00 C ATOM 1641 CH2 TRP A 105 11.639 -0.691 -2.376 1.00 0.00 C ATOM 0 H TRP A 105 6.330 1.414 -6.892 1.00 0.00 H new ATOM 0 HA TRP A 105 8.579 2.053 -5.431 1.00 0.00 H new ATOM 0 HB2 TRP A 105 7.602 -0.200 -6.051 1.00 0.00 H new ATOM 0 HB3 TRP A 105 8.347 -0.018 -7.627 1.00 0.00 H new ATOM 0 HD1 TRP A 105 10.544 -1.243 -7.836 1.00 0.00 H new ATOM 0 HE1 TRP A 105 12.436 -2.015 -6.270 1.00 0.00 H new ATOM 0 HE3 TRP A 105 8.766 0.754 -3.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 13.050 -1.787 -3.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 10.083 0.439 -1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 105 12.197 -0.815 -1.460 1.00 0.00 H new ATOM 1652 N ASN A 106 8.903 2.123 -8.721 1.00 0.00 N ATOM 1653 CA ASN A 106 9.633 2.601 -9.859 1.00 0.00 C ATOM 1654 C ASN A 106 9.807 4.130 -9.904 1.00 0.00 C ATOM 1655 O ASN A 106 10.276 4.675 -10.903 1.00 0.00 O ATOM 1656 CB ASN A 106 9.002 2.100 -11.159 1.00 0.00 C ATOM 1657 CG ASN A 106 9.337 0.648 -11.438 1.00 0.00 C ATOM 1658 OD1 ASN A 106 10.499 0.246 -11.384 1.00 0.00 O ATOM 1659 ND2 ASN A 106 8.318 -0.148 -11.740 1.00 0.00 N ATOM 0 H ASN A 106 8.086 1.565 -8.969 1.00 0.00 H new ATOM 0 HA ASN A 106 10.636 2.189 -9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.920 2.217 -11.104 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.347 2.716 -11.989 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.483 -1.135 -11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.370 0.227 -11.774 1.00 0.00 H new ATOM 1666 N SER A 107 9.493 4.799 -8.804 1.00 0.00 N ATOM 1667 CA SER A 107 9.680 6.248 -8.694 1.00 0.00 C ATOM 1668 C SER A 107 10.614 6.566 -7.525 1.00 0.00 C ATOM 1669 O SER A 107 11.077 7.693 -7.344 1.00 0.00 O ATOM 1670 CB SER A 107 8.338 6.962 -8.526 1.00 0.00 C ATOM 1671 OG SER A 107 8.466 8.351 -8.774 1.00 0.00 O ATOM 0 H SER A 107 9.105 4.363 -7.968 1.00 0.00 H new ATOM 0 HA SER A 107 10.135 6.611 -9.616 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.606 6.533 -9.210 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.962 6.803 -7.516 1.00 0.00 H new ATOM 0 HG SER A 107 9.302 8.678 -8.380 1.00 0.00 H new ATOM 1677 N LEU A 108 10.851 5.535 -6.739 1.00 0.00 N ATOM 1678 CA LEU A 108 11.683 5.593 -5.569 1.00 0.00 C ATOM 1679 C LEU A 108 13.167 5.715 -5.899 1.00 0.00 C ATOM 1680 O LEU A 108 13.612 5.432 -7.012 1.00 0.00 O ATOM 1681 CB LEU A 108 11.443 4.329 -4.769 1.00 0.00 C ATOM 1682 CG LEU A 108 10.367 4.434 -3.693 1.00 0.00 C ATOM 1683 CD1 LEU A 108 8.986 4.290 -4.312 1.00 0.00 C ATOM 1684 CD2 LEU A 108 10.587 3.378 -2.626 1.00 0.00 C ATOM 0 H LEU A 108 10.455 4.610 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 108 11.418 6.487 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.169 3.529 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.380 4.035 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 108 10.433 5.416 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.228 4.367 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.832 5.080 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.906 3.319 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.812 3.464 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.542 2.388 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.565 3.523 -2.167 1.00 0.00 H new ATOM 1696 N SER A 109 13.907 6.115 -4.882 1.00 0.00 N ATOM 1697 CA SER A 109 15.346 6.263 -4.970 1.00 0.00 C ATOM 1698 C SER A 109 15.984 4.913 -4.967 1.00 0.00 C ATOM 1699 O SER A 109 15.871 4.163 -4.012 1.00 0.00 O ATOM 1700 CB SER A 109 15.888 7.069 -3.795 1.00 0.00 C ATOM 1701 OG SER A 109 14.984 8.086 -3.398 1.00 0.00 O ATOM 0 H SER A 109 13.523 6.348 -3.966 1.00 0.00 H new ATOM 0 HA SER A 109 15.579 6.792 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.079 6.403 -2.954 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.843 7.517 -4.070 1.00 0.00 H new ATOM 0 HG SER A 109 15.361 8.582 -2.642 1.00 0.00 H new ATOM 1707 N LEU A 110 16.660 4.625 -6.048 1.00 0.00 N ATOM 1708 CA LEU A 110 17.369 3.377 -6.197 1.00 0.00 C ATOM 1709 C LEU A 110 17.967 2.930 -4.859 1.00 0.00 C ATOM 1710 O LEU A 110 18.046 1.736 -4.568 1.00 0.00 O ATOM 1711 CB LEU A 110 18.478 3.598 -7.210 1.00 0.00 C ATOM 1712 CG LEU A 110 19.646 4.476 -6.736 1.00 0.00 C ATOM 1713 CD1 LEU A 110 19.194 5.790 -6.101 1.00 0.00 C ATOM 1714 CD2 LEU A 110 20.547 3.690 -5.800 1.00 0.00 C ATOM 0 H LEU A 110 16.736 5.248 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 110 16.686 2.597 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 110 18.874 2.627 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.046 4.051 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 110 20.214 4.757 -7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.067 6.362 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 110 18.623 6.368 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.569 5.579 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.371 4.323 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 110 19.973 3.362 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 110 20.944 2.820 -6.323 1.00 0.00 H new ATOM 1726 N ALA A 111 18.363 3.908 -4.035 1.00 0.00 N ATOM 1727 CA ALA A 111 18.918 3.623 -2.725 1.00 0.00 C ATOM 1728 C ALA A 111 17.765 3.354 -1.779 1.00 0.00 C ATOM 1729 O ALA A 111 17.830 2.504 -0.897 1.00 0.00 O ATOM 1730 CB ALA A 111 19.787 4.765 -2.245 1.00 0.00 C ATOM 0 H ALA A 111 18.305 4.901 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 111 19.563 2.746 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 111 20.191 4.526 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 111 20.607 4.918 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 111 19.190 5.675 -2.181 1.00 0.00 H new ATOM 1736 N GLN A 112 16.700 4.089 -2.018 1.00 0.00 N ATOM 1737 CA GLN A 112 15.479 3.970 -1.256 1.00 0.00 C ATOM 1738 C GLN A 112 14.636 2.857 -1.838 1.00 0.00 C ATOM 1739 O GLN A 112 13.619 2.458 -1.279 1.00 0.00 O ATOM 1740 CB GLN A 112 14.708 5.294 -1.312 1.00 0.00 C ATOM 1741 CG GLN A 112 13.534 5.379 -0.356 1.00 0.00 C ATOM 1742 CD GLN A 112 12.976 6.786 -0.258 1.00 0.00 C ATOM 1743 OE1 GLN A 112 13.711 7.738 0.003 1.00 0.00 O ATOM 1744 NE2 GLN A 112 11.674 6.927 -0.474 1.00 0.00 N ATOM 0 H GLN A 112 16.659 4.793 -2.755 1.00 0.00 H new ATOM 0 HA GLN A 112 15.714 3.740 -0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.397 6.110 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.344 5.445 -2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 112 12.748 4.700 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.848 5.045 0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.101 6.111 -0.687 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.246 7.852 -0.427 1.00 0.00 H new ATOM 1753 N ARG A 113 15.205 2.242 -2.873 1.00 0.00 N ATOM 1754 CA ARG A 113 14.661 1.036 -3.437 1.00 0.00 C ATOM 1755 C ARG A 113 15.136 -0.050 -2.483 1.00 0.00 C ATOM 1756 O ARG A 113 14.348 -0.888 -2.048 1.00 0.00 O ATOM 1757 CB ARG A 113 15.207 0.797 -4.842 1.00 0.00 C ATOM 1758 CG ARG A 113 14.147 0.354 -5.820 1.00 0.00 C ATOM 1759 CD ARG A 113 13.608 1.530 -6.599 1.00 0.00 C ATOM 1760 NE ARG A 113 13.642 1.282 -8.037 1.00 0.00 N ATOM 1761 CZ ARG A 113 13.150 2.116 -8.949 1.00 0.00 C ATOM 1762 NH1 ARG A 113 12.580 3.256 -8.582 1.00 0.00 N ATOM 1763 NH2 ARG A 113 13.233 1.808 -10.234 1.00 0.00 N ATOM 0 H ARG A 113 16.052 2.574 -3.334 1.00 0.00 H new ATOM 0 HA ARG A 113 13.576 1.069 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.669 1.714 -5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 113 15.991 0.041 -4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 113 14.565 -0.382 -6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.334 -0.136 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.583 1.734 -6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 113 14.194 2.420 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 113 14.070 0.415 -8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 113 12.516 3.499 -7.593 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.205 3.889 -9.288 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.673 0.934 -10.522 1.00 0.00 H new ATOM 0 HH22 ARG A 113 12.857 2.445 -10.936 1.00 0.00 H new ATOM 1777 N ARG A 114 16.414 -0.012 -2.112 1.00 0.00 N ATOM 1778 CA ARG A 114 16.923 -0.986 -1.163 1.00 0.00 C ATOM 1779 C ARG A 114 16.476 -0.603 0.237 1.00 0.00 C ATOM 1780 O ARG A 114 15.978 -1.438 0.992 1.00 0.00 O ATOM 1781 CB ARG A 114 18.460 -1.126 -1.207 1.00 0.00 C ATOM 1782 CG ARG A 114 19.230 -0.121 -0.373 1.00 0.00 C ATOM 1783 CD ARG A 114 19.197 -0.516 1.091 1.00 0.00 C ATOM 1784 NE ARG A 114 20.286 0.088 1.854 1.00 0.00 N ATOM 1785 CZ ARG A 114 20.340 1.381 2.166 1.00 0.00 C ATOM 1786 NH1 ARG A 114 19.373 2.205 1.778 1.00 0.00 N ATOM 1787 NH2 ARG A 114 21.363 1.854 2.863 1.00 0.00 N ATOM 0 H ARG A 114 17.098 0.667 -2.447 1.00 0.00 H new ATOM 0 HA ARG A 114 16.514 -1.957 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 114 18.726 -2.129 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 114 18.786 -1.038 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 114 20.262 -0.066 -0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 114 18.799 0.872 -0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 114 18.243 -0.216 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 114 19.257 -1.601 1.173 1.00 0.00 H new ATOM 0 HE ARG A 114 21.048 -0.515 2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 114 18.584 1.848 1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 114 19.419 3.195 2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 114 22.110 1.227 3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 114 21.403 2.845 3.101 1.00 0.00 H new ATOM 1801 N GLY A 115 16.686 0.671 0.589 1.00 0.00 N ATOM 1802 CA GLY A 115 16.326 1.145 1.913 1.00 0.00 C ATOM 1803 C GLY A 115 14.990 0.591 2.314 1.00 0.00 C ATOM 1804 O GLY A 115 14.842 0.235 3.482 1.00 0.00 O ATOM 0 H GLY A 115 17.098 1.377 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 115 17.085 0.843 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.294 2.234 1.921 1.00 0.00 H new ATOM 1808 N PHE A 116 14.020 0.464 1.446 1.00 0.00 N ATOM 1809 CA PHE A 116 12.786 -0.110 1.945 1.00 0.00 C ATOM 1810 C PHE A 116 12.948 -1.614 2.044 1.00 0.00 C ATOM 1811 O PHE A 116 12.717 -2.213 3.094 1.00 0.00 O ATOM 1812 CB PHE A 116 11.582 0.233 1.058 1.00 0.00 C ATOM 1813 CG PHE A 116 11.015 1.607 1.274 1.00 0.00 C ATOM 1814 CD1 PHE A 116 10.314 1.912 2.428 1.00 0.00 C ATOM 1815 CD2 PHE A 116 11.182 2.593 0.318 1.00 0.00 C ATOM 1816 CE1 PHE A 116 9.791 3.176 2.627 1.00 0.00 C ATOM 1817 CE2 PHE A 116 10.662 3.858 0.510 1.00 0.00 C ATOM 1818 CZ PHE A 116 9.966 4.150 1.667 1.00 0.00 C ATOM 0 H PHE A 116 14.044 0.726 0.461 1.00 0.00 H new ATOM 0 HA PHE A 116 12.587 0.317 2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 116 11.878 0.137 0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 116 10.796 -0.502 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 116 10.174 1.152 3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 116 11.725 2.371 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 116 9.247 3.400 3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 116 10.799 4.619 -0.244 1.00 0.00 H new ATOM 0 HZ PHE A 116 9.560 5.139 1.819 1.00 0.00 H new ATOM 1828 N THR A 117 13.321 -2.218 0.934 1.00 0.00 N ATOM 1829 CA THR A 117 13.491 -3.655 0.873 1.00 0.00 C ATOM 1830 C THR A 117 14.420 -4.189 1.954 1.00 0.00 C ATOM 1831 O THR A 117 14.447 -5.394 2.202 1.00 0.00 O ATOM 1832 CB THR A 117 13.994 -4.074 -0.512 1.00 0.00 C ATOM 1833 OG1 THR A 117 13.541 -5.376 -0.834 1.00 0.00 O ATOM 1834 CG2 THR A 117 15.502 -4.073 -0.645 1.00 0.00 C ATOM 0 H THR A 117 13.513 -1.733 0.058 1.00 0.00 H new ATOM 0 HA THR A 117 12.510 -4.094 1.054 1.00 0.00 H new ATOM 0 HB THR A 117 13.591 -3.326 -1.194 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.570 -5.361 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.779 -4.381 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.883 -3.070 -0.454 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.931 -4.768 0.077 1.00 0.00 H new ATOM 1842 N LYS A 118 15.223 -3.321 2.557 1.00 0.00 N ATOM 1843 CA LYS A 118 16.177 -3.794 3.552 1.00 0.00 C ATOM 1844 C LYS A 118 16.361 -2.917 4.786 1.00 0.00 C ATOM 1845 O LYS A 118 16.595 -3.418 5.884 1.00 0.00 O ATOM 1846 CB LYS A 118 17.544 -3.930 2.852 1.00 0.00 C ATOM 1847 CG LYS A 118 18.733 -3.319 3.595 1.00 0.00 C ATOM 1848 CD LYS A 118 20.037 -4.008 3.220 1.00 0.00 C ATOM 1849 CE LYS A 118 20.630 -3.428 1.950 1.00 0.00 C ATOM 1850 NZ LYS A 118 22.032 -3.877 1.737 1.00 0.00 N ATOM 0 H LYS A 118 15.235 -2.316 2.382 1.00 0.00 H new ATOM 0 HA LYS A 118 15.770 -4.731 3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.745 -4.989 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.476 -3.465 1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.802 -2.256 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 118 18.573 -3.401 4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 118 20.752 -3.904 4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 118 19.860 -5.075 3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 118 20.020 -3.724 1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 118 20.601 -2.340 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 22.401 -3.459 0.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 22.620 -3.572 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 22.057 -4.914 1.664 1.00 0.00 H new ATOM 1864 N THR A 119 16.492 -1.637 4.545 1.00 0.00 N ATOM 1865 CA THR A 119 16.930 -0.711 5.583 1.00 0.00 C ATOM 1866 C THR A 119 15.913 0.099 6.378 1.00 0.00 C ATOM 1867 O THR A 119 16.310 0.733 7.358 1.00 0.00 O ATOM 1868 CB THR A 119 17.834 0.273 4.882 1.00 0.00 C ATOM 1869 OG1 THR A 119 18.047 -0.144 3.555 1.00 0.00 O ATOM 1870 CG2 THR A 119 19.206 0.387 5.472 1.00 0.00 C ATOM 0 H THR A 119 16.304 -1.203 3.641 1.00 0.00 H new ATOM 0 HA THR A 119 17.362 -1.354 6.350 1.00 0.00 H new ATOM 0 HB THR A 119 17.320 1.230 4.975 1.00 0.00 H new ATOM 0 HG1 THR A 119 18.960 -0.488 3.463 1.00 0.00 H new ATOM 0 HG21 THR A 119 19.786 1.116 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 119 19.130 0.711 6.510 1.00 0.00 H new ATOM 0 HG23 THR A 119 19.702 -0.583 5.430 1.00 0.00 H new ATOM 1878 N TYR A 120 14.677 0.215 5.952 1.00 0.00 N ATOM 1879 CA TYR A 120 13.792 1.120 6.673 1.00 0.00 C ATOM 1880 C TYR A 120 12.968 0.517 7.809 1.00 0.00 C ATOM 1881 O TYR A 120 12.585 1.227 8.729 1.00 0.00 O ATOM 1882 CB TYR A 120 12.909 1.868 5.690 1.00 0.00 C ATOM 1883 CG TYR A 120 13.690 2.558 4.594 1.00 0.00 C ATOM 1884 CD1 TYR A 120 14.959 3.068 4.835 1.00 0.00 C ATOM 1885 CD2 TYR A 120 13.154 2.718 3.331 1.00 0.00 C ATOM 1886 CE1 TYR A 120 15.668 3.719 3.845 1.00 0.00 C ATOM 1887 CE2 TYR A 120 13.853 3.363 2.331 1.00 0.00 C ATOM 1888 CZ TYR A 120 15.112 3.864 2.594 1.00 0.00 C ATOM 1889 OH TYR A 120 15.817 4.513 1.606 1.00 0.00 O ATOM 0 H TYR A 120 14.270 -0.274 5.154 1.00 0.00 H new ATOM 0 HA TYR A 120 14.463 1.804 7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.204 1.169 5.240 1.00 0.00 H new ATOM 0 HB3 TYR A 120 12.321 2.610 6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 120 15.399 2.953 5.814 1.00 0.00 H new ATOM 0 HD2 TYR A 120 12.168 2.330 3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 120 16.653 4.112 4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 120 13.418 3.475 1.349 1.00 0.00 H new ATOM 0 HH TYR A 120 16.329 5.250 2.000 1.00 0.00 H new ATOM 1899 N THR A 121 12.661 -0.763 7.752 1.00 0.00 N ATOM 1900 CA THR A 121 11.841 -1.397 8.789 1.00 0.00 C ATOM 1901 C THR A 121 12.389 -1.302 10.228 1.00 0.00 C ATOM 1902 O THR A 121 11.695 -1.443 11.235 1.00 0.00 O ATOM 1903 CB THR A 121 11.679 -2.862 8.453 1.00 0.00 C ATOM 1904 OG1 THR A 121 10.995 -3.551 9.486 1.00 0.00 O ATOM 1905 CG2 THR A 121 13.018 -3.507 8.266 1.00 0.00 C ATOM 0 H THR A 121 12.961 -1.391 7.006 1.00 0.00 H new ATOM 0 HA THR A 121 10.902 -0.844 8.785 1.00 0.00 H new ATOM 0 HB THR A 121 11.100 -2.921 7.531 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.902 -4.496 9.243 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.883 -4.561 8.025 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.549 -3.013 7.452 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.597 -3.416 9.185 1.00 0.00 H new ATOM 1913 N VAL A 122 13.703 -1.007 10.212 1.00 0.00 N ATOM 1914 CA VAL A 122 14.483 -0.815 11.439 1.00 0.00 C ATOM 1915 C VAL A 122 15.131 0.565 11.494 1.00 0.00 C ATOM 1916 O VAL A 122 15.394 1.095 12.575 1.00 0.00 O ATOM 1917 CB VAL A 122 15.578 -1.890 11.599 1.00 0.00 C ATOM 1918 CG1 VAL A 122 16.053 -1.953 13.044 1.00 0.00 C ATOM 1919 CG2 VAL A 122 15.073 -3.254 11.141 1.00 0.00 C ATOM 0 H VAL A 122 14.245 -0.897 9.355 1.00 0.00 H new ATOM 0 HA VAL A 122 13.772 -0.906 12.261 1.00 0.00 H new ATOM 0 HB VAL A 122 16.422 -1.613 10.968 1.00 0.00 H new ATOM 0 HG11 VAL A 122 16.825 -2.716 13.140 1.00 0.00 H new ATOM 0 HG12 VAL A 122 16.461 -0.985 13.335 1.00 0.00 H new ATOM 0 HG13 VAL A 122 15.213 -2.203 13.692 1.00 0.00 H new ATOM 0 HG21 VAL A 122 15.863 -3.995 11.264 1.00 0.00 H new ATOM 0 HG22 VAL A 122 14.209 -3.542 11.740 1.00 0.00 H new ATOM 0 HG23 VAL A 122 14.785 -3.202 10.091 1.00 0.00 H new ATOM 1929 N GLY A 123 15.371 1.147 10.326 1.00 0.00 N ATOM 1930 CA GLY A 123 15.967 2.465 10.250 1.00 0.00 C ATOM 1931 C GLY A 123 15.044 3.412 9.522 1.00 0.00 C ATOM 1932 O GLY A 123 15.479 4.290 8.782 1.00 0.00 O ATOM 0 H GLY A 123 15.161 0.724 9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 123 16.167 2.840 11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 123 16.925 2.410 9.733 1.00 0.00 H new ATOM 1936 N CYS A 124 13.759 3.171 9.733 1.00 0.00 N ATOM 1937 CA CYS A 124 12.667 3.925 9.131 1.00 0.00 C ATOM 1938 C CYS A 124 12.822 5.431 9.342 1.00 0.00 C ATOM 1939 O CYS A 124 12.001 6.056 10.016 1.00 0.00 O ATOM 1940 CB CYS A 124 11.391 3.415 9.775 1.00 0.00 C ATOM 1941 SG CYS A 124 11.417 3.563 11.590 1.00 0.00 S ATOM 0 H CYS A 124 13.436 2.423 10.346 1.00 0.00 H new ATOM 0 HA CYS A 124 12.656 3.779 8.051 1.00 0.00 H new ATOM 0 HB2 CYS A 124 10.541 3.972 9.381 1.00 0.00 H new ATOM 0 HB3 CYS A 124 11.242 2.371 9.501 1.00 0.00 H new ATOM 1946 N GLU A 125 13.850 6.016 8.749 1.00 0.00 N ATOM 1947 CA GLU A 125 14.073 7.452 8.855 1.00 0.00 C ATOM 1948 C GLU A 125 14.213 8.081 7.478 1.00 0.00 C ATOM 1949 O GLU A 125 15.183 8.785 7.199 1.00 0.00 O ATOM 1950 CB GLU A 125 15.295 7.757 9.729 1.00 0.00 C ATOM 1951 CG GLU A 125 16.058 6.517 10.152 1.00 0.00 C ATOM 1952 CD GLU A 125 16.924 6.752 11.376 1.00 0.00 C ATOM 1953 OE1 GLU A 125 16.398 6.645 12.505 1.00 0.00 O ATOM 1954 OE2 GLU A 125 18.127 7.042 11.207 1.00 0.00 O ATOM 0 H GLU A 125 14.544 5.520 8.189 1.00 0.00 H new ATOM 0 HA GLU A 125 13.201 7.893 9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 125 15.967 8.419 9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 125 14.970 8.296 10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 125 15.351 5.714 10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 125 16.686 6.182 9.326 1.00 0.00 H new ATOM 1961 N GLU A 126 13.233 7.833 6.617 1.00 0.00 N ATOM 1962 CA GLU A 126 13.260 8.388 5.283 1.00 0.00 C ATOM 1963 C GLU A 126 12.282 9.550 5.157 1.00 0.00 C ATOM 1964 O GLU A 126 12.498 10.412 4.280 1.00 0.00 O ATOM 1965 CB GLU A 126 12.955 7.311 4.250 1.00 0.00 C ATOM 1966 CG GLU A 126 14.187 6.571 3.773 1.00 0.00 C ATOM 1967 CD GLU A 126 15.126 7.458 2.979 1.00 0.00 C ATOM 1968 OE1 GLU A 126 14.632 8.312 2.214 1.00 0.00 O ATOM 1969 OE2 GLU A 126 16.356 7.298 3.121 1.00 0.00 O ATOM 1970 OXT GLU A 126 11.308 9.589 5.939 1.00 0.00 O ATOM 0 H GLU A 126 12.418 7.255 6.823 1.00 0.00 H new ATOM 0 HA GLU A 126 14.263 8.771 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 126 12.253 6.595 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 126 12.461 7.769 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 126 14.718 6.164 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 126 13.883 5.725 3.156 1.00 0.00 H new TER 1977 GLU A 126