USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 THR OG1 : rot -95:sc= 1.26 USER MOD Set 1.2: A 53 ASN : amide:sc= -1.07 K(o=0.19,f=1.1) USER MOD Set 2.1: A 22 TYR OH : rot -140:sc= -2.49! USER MOD Set 2.2: A 80 HIS : no HD1:sc=-0.00205 X(o=-2.5,f=-2.6) USER MOD Single : A 1 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.98) USER MOD Single : A 1 GLN N :NH3+ -125:sc= 0.0795 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -122:sc= 2.28 (180deg=-2.88!) USER MOD Single : A 19 ASN : amide:sc= -0.0219 K(o=-0.022,f=-0.85) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00895) USER MOD Single : A 24 SER OG : rot 81:sc= 1.25 USER MOD Single : A 31 ASN : amide:sc= -2.62! C(o=-2.6!,f=-2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 71:sc= 1.06 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.05) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -18:sc= 1.1 USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= -1.89! (180deg=-4.49!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0621 USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= 1.25 (180deg=0.964) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -77:sc= -0.197 USER MOD Single : A 77 MET CE :methyl 179:sc= -0.659 (180deg=-0.66) USER MOD Single : A 78 SER OG : rot 111:sc= -0.219 USER MOD Single : A 81 MET CE :methyl 132:sc= -0.0391 (180deg=-0.257) USER MOD Single : A 84 MET CE :methyl 176:sc= -1.3 (180deg=-1.52) USER MOD Single : A 85 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0391) USER MOD Single : A 89 LYS NZ :NH3+ -149:sc= -1.44! (180deg=-3.22!) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= 1.47 (180deg=0.907) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.035 USER MOD Single : A 96 GLN : amide:sc= -1.66! K(o=-1.7!,f=-0.11) USER MOD Single : A 101 LYS NZ :NH3+ 131:sc= 0.00506 (180deg=-0.118) USER MOD Single : A 102 TYR OH : rot -35:sc= 0.064 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -9.381 4.003 13.384 1.00 0.00 N ATOM 2 CA GLN A 1 -8.689 4.006 12.077 1.00 0.00 C ATOM 3 C GLN A 1 -7.350 4.715 12.181 1.00 0.00 C ATOM 4 O GLN A 1 -6.774 4.788 13.266 1.00 0.00 O ATOM 5 CB GLN A 1 -9.555 4.684 11.014 1.00 0.00 C ATOM 6 CG GLN A 1 -10.533 3.738 10.345 1.00 0.00 C ATOM 7 CD GLN A 1 -9.833 2.554 9.712 1.00 0.00 C ATOM 8 OE1 GLN A 1 -9.652 1.512 10.345 1.00 0.00 O ATOM 9 NE2 GLN A 1 -9.418 2.713 8.469 1.00 0.00 N ATOM 0 H1 GLN A 1 -9.620 3.026 13.648 1.00 0.00 H new ATOM 0 H2 GLN A 1 -8.758 4.415 14.108 1.00 0.00 H new ATOM 0 H3 GLN A 1 -10.253 4.566 13.317 1.00 0.00 H new ATOM 0 HA GLN A 1 -8.515 2.971 11.784 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -10.109 5.502 11.474 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -8.908 5.124 10.255 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -11.254 3.382 11.081 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -11.095 4.277 9.582 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -9.590 3.593 7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -8.926 1.956 7.995 1.00 0.00 H new ATOM 20 N GLU A 2 -6.854 5.184 11.026 1.00 0.00 N ATOM 21 CA GLU A 2 -5.633 5.996 10.914 1.00 0.00 C ATOM 22 C GLU A 2 -4.426 5.300 11.537 1.00 0.00 C ATOM 23 O GLU A 2 -4.500 4.139 11.941 1.00 0.00 O ATOM 24 CB GLU A 2 -5.839 7.407 11.506 1.00 0.00 C ATOM 25 CG GLU A 2 -5.945 7.470 13.020 1.00 0.00 C ATOM 26 CD GLU A 2 -6.378 8.829 13.514 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.592 9.127 13.451 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.513 9.602 13.974 1.00 0.00 O ATOM 0 H GLU A 2 -7.299 5.006 10.126 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.421 6.111 9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.009 8.039 11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.746 7.833 11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.657 6.719 13.363 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.980 7.218 13.459 1.00 0.00 H new ATOM 35 N ALA A 3 -3.300 5.989 11.550 1.00 0.00 N ATOM 36 CA ALA A 3 -2.096 5.466 12.164 1.00 0.00 C ATOM 37 C ALA A 3 -1.748 6.275 13.400 1.00 0.00 C ATOM 38 O ALA A 3 -0.766 5.996 14.079 1.00 0.00 O ATOM 39 CB ALA A 3 -0.946 5.474 11.172 1.00 0.00 C ATOM 0 H ALA A 3 -3.195 6.917 11.140 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.275 4.434 12.465 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.050 5.078 11.650 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.203 4.855 10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.759 6.495 10.840 1.00 0.00 H new ATOM 45 N GLY A 4 -2.558 7.285 13.681 1.00 0.00 N ATOM 46 CA GLY A 4 -2.363 8.085 14.870 1.00 0.00 C ATOM 47 C GLY A 4 -2.565 7.269 16.127 1.00 0.00 C ATOM 48 O GLY A 4 -3.700 6.962 16.498 1.00 0.00 O ATOM 0 H GLY A 4 -3.350 7.565 13.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.357 8.506 14.866 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.059 8.924 14.864 1.00 0.00 H new ATOM 52 N GLY A 5 -1.466 6.903 16.767 1.00 0.00 N ATOM 53 CA GLY A 5 -1.534 6.074 17.950 1.00 0.00 C ATOM 54 C GLY A 5 -0.763 4.783 17.779 1.00 0.00 C ATOM 55 O GLY A 5 -0.454 4.096 18.756 1.00 0.00 O ATOM 0 H GLY A 5 -0.522 7.168 16.485 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.136 6.624 18.802 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.576 5.847 18.175 1.00 0.00 H new ATOM 59 N ARG A 6 -0.442 4.456 16.538 1.00 0.00 N ATOM 60 CA ARG A 6 0.266 3.225 16.223 1.00 0.00 C ATOM 61 C ARG A 6 1.334 3.484 15.156 1.00 0.00 C ATOM 62 O ARG A 6 1.359 4.549 14.545 1.00 0.00 O ATOM 63 CB ARG A 6 -0.738 2.146 15.794 1.00 0.00 C ATOM 64 CG ARG A 6 -1.760 2.590 14.762 1.00 0.00 C ATOM 65 CD ARG A 6 -2.850 1.541 14.606 1.00 0.00 C ATOM 66 NE ARG A 6 -3.864 1.925 13.627 1.00 0.00 N ATOM 67 CZ ARG A 6 -4.982 1.237 13.401 1.00 0.00 C ATOM 68 NH1 ARG A 6 -5.274 0.171 14.134 1.00 0.00 N ATOM 69 NH2 ARG A 6 -5.820 1.630 12.453 1.00 0.00 N ATOM 0 H ARG A 6 -0.663 5.031 15.725 1.00 0.00 H new ATOM 0 HA ARG A 6 0.784 2.860 17.110 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.185 1.296 15.393 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.268 1.793 16.679 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.202 3.540 15.064 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.269 2.758 13.804 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.399 0.596 14.304 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.328 1.373 15.571 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.706 2.773 13.082 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.641 -0.127 14.876 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.132 -0.351 13.956 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.609 2.459 11.897 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.676 1.104 12.279 1.00 0.00 H new ATOM 83 N PRO A 7 2.243 2.527 14.910 1.00 0.00 N ATOM 84 CA PRO A 7 3.397 2.740 14.067 1.00 0.00 C ATOM 85 C PRO A 7 3.103 2.354 12.631 1.00 0.00 C ATOM 86 O PRO A 7 3.266 1.194 12.246 1.00 0.00 O ATOM 87 CB PRO A 7 4.447 1.800 14.682 1.00 0.00 C ATOM 88 CG PRO A 7 3.689 0.864 15.586 1.00 0.00 C ATOM 89 CD PRO A 7 2.224 1.144 15.373 1.00 0.00 C ATOM 0 HA PRO A 7 3.715 3.782 14.030 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.978 1.248 13.907 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.194 2.363 15.242 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.922 -0.174 15.350 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.966 1.024 16.628 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.784 0.473 14.636 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.649 1.029 16.292 1.00 0.00 H new ATOM 97 N GLY A 8 2.646 3.315 11.843 1.00 0.00 N ATOM 98 CA GLY A 8 2.314 3.015 10.475 1.00 0.00 C ATOM 99 C GLY A 8 3.546 2.785 9.633 1.00 0.00 C ATOM 100 O GLY A 8 3.570 1.908 8.773 1.00 0.00 O ATOM 0 H GLY A 8 2.502 4.284 12.126 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.681 2.128 10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.735 3.837 10.054 1.00 0.00 H new ATOM 104 N ALA A 9 4.580 3.572 9.909 1.00 0.00 N ATOM 105 CA ALA A 9 5.816 3.529 9.149 1.00 0.00 C ATOM 106 C ALA A 9 6.865 4.427 9.790 1.00 0.00 C ATOM 107 O ALA A 9 7.698 3.963 10.564 1.00 0.00 O ATOM 108 CB ALA A 9 5.573 3.943 7.706 1.00 0.00 C ATOM 0 H ALA A 9 4.581 4.256 10.666 1.00 0.00 H new ATOM 0 HA ALA A 9 6.186 2.504 9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.512 3.904 7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.854 3.263 7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.179 4.959 7.680 1.00 0.00 H new ATOM 114 N ASP A 10 6.804 5.719 9.481 1.00 0.00 N ATOM 115 CA ASP A 10 7.731 6.690 10.055 1.00 0.00 C ATOM 116 C ASP A 10 7.200 8.110 9.889 1.00 0.00 C ATOM 117 O ASP A 10 6.824 8.750 10.866 1.00 0.00 O ATOM 118 CB ASP A 10 9.113 6.572 9.403 1.00 0.00 C ATOM 119 CG ASP A 10 10.128 7.520 10.015 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.668 7.204 11.096 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.397 8.583 9.415 1.00 0.00 O ATOM 0 H ASP A 10 6.122 6.118 8.836 1.00 0.00 H new ATOM 0 HA ASP A 10 7.824 6.473 11.119 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.472 5.548 9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.026 6.777 8.336 1.00 0.00 H new ATOM 126 N CYS A 11 7.145 8.569 8.639 1.00 0.00 N ATOM 127 CA CYS A 11 6.744 9.943 8.313 1.00 0.00 C ATOM 128 C CYS A 11 5.347 10.278 8.848 1.00 0.00 C ATOM 129 O CYS A 11 5.204 10.700 9.994 1.00 0.00 O ATOM 130 CB CYS A 11 6.808 10.135 6.802 1.00 0.00 C ATOM 131 SG CYS A 11 8.285 9.383 6.046 1.00 0.00 S ATOM 0 H CYS A 11 7.376 8.002 7.823 1.00 0.00 H new ATOM 0 HA CYS A 11 7.436 10.630 8.801 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.916 9.703 6.349 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.795 11.201 6.577 1.00 0.00 H new ATOM 136 N GLU A 12 4.312 10.080 8.033 1.00 0.00 N ATOM 137 CA GLU A 12 2.939 10.303 8.488 1.00 0.00 C ATOM 138 C GLU A 12 1.934 9.788 7.467 1.00 0.00 C ATOM 139 O GLU A 12 1.356 8.731 7.657 1.00 0.00 O ATOM 140 CB GLU A 12 2.679 11.790 8.769 1.00 0.00 C ATOM 141 CG GLU A 12 1.386 12.039 9.532 1.00 0.00 C ATOM 142 CD GLU A 12 1.406 11.420 10.917 1.00 0.00 C ATOM 143 OE1 GLU A 12 1.540 10.181 11.018 1.00 0.00 O ATOM 144 OE2 GLU A 12 1.309 12.173 11.909 1.00 0.00 O ATOM 0 H GLU A 12 4.395 9.769 7.065 1.00 0.00 H new ATOM 0 HA GLU A 12 2.813 9.747 9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.514 12.197 9.340 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.645 12.331 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.219 13.113 9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.549 11.631 8.966 1.00 0.00 H new ATOM 151 N VAL A 13 1.744 10.523 6.377 1.00 0.00 N ATOM 152 CA VAL A 13 0.813 10.109 5.325 1.00 0.00 C ATOM 153 C VAL A 13 1.175 8.714 4.829 1.00 0.00 C ATOM 154 O VAL A 13 0.318 7.853 4.639 1.00 0.00 O ATOM 155 CB VAL A 13 0.839 11.093 4.139 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.220 10.734 3.107 1.00 0.00 C ATOM 157 CG2 VAL A 13 0.651 12.516 4.633 1.00 0.00 C ATOM 0 H VAL A 13 2.219 11.407 6.196 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.191 10.102 5.750 1.00 0.00 H new ATOM 0 HB VAL A 13 1.812 11.020 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.179 11.445 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.034 9.728 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.206 10.772 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.671 13.201 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.308 12.600 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.454 12.770 5.324 1.00 0.00 H new ATOM 167 N CYS A 14 2.468 8.504 4.648 1.00 0.00 N ATOM 168 CA CYS A 14 2.998 7.207 4.270 1.00 0.00 C ATOM 169 C CYS A 14 2.682 6.147 5.335 1.00 0.00 C ATOM 170 O CYS A 14 2.383 4.999 5.010 1.00 0.00 O ATOM 171 CB CYS A 14 4.507 7.329 4.052 1.00 0.00 C ATOM 172 SG CYS A 14 5.361 5.760 3.723 1.00 0.00 S ATOM 0 H CYS A 14 3.178 9.228 4.759 1.00 0.00 H new ATOM 0 HA CYS A 14 2.524 6.884 3.343 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.685 8.005 3.216 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.951 7.789 4.935 1.00 0.00 H new ATOM 177 N LYS A 15 2.707 6.545 6.610 1.00 0.00 N ATOM 178 CA LYS A 15 2.478 5.595 7.692 1.00 0.00 C ATOM 179 C LYS A 15 0.988 5.300 7.824 1.00 0.00 C ATOM 180 O LYS A 15 0.596 4.190 8.178 1.00 0.00 O ATOM 181 CB LYS A 15 3.064 6.099 9.029 1.00 0.00 C ATOM 182 CG LYS A 15 2.129 6.947 9.881 1.00 0.00 C ATOM 183 CD LYS A 15 2.521 6.899 11.354 1.00 0.00 C ATOM 184 CE LYS A 15 3.883 7.529 11.608 1.00 0.00 C ATOM 185 NZ LYS A 15 3.803 9.010 11.730 1.00 0.00 N ATOM 0 H LYS A 15 2.881 7.504 6.911 1.00 0.00 H new ATOM 0 HA LYS A 15 2.998 4.670 7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.378 5.236 9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.960 6.682 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.151 7.979 9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.105 6.592 9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.767 7.418 11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.534 5.863 11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.309 7.113 12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.559 7.269 10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.416 9.451 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.821 9.318 11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.116 9.298 12.679 1.00 0.00 H new ATOM 199 N GLU A 16 0.175 6.304 7.531 1.00 0.00 N ATOM 200 CA GLU A 16 -1.272 6.158 7.508 1.00 0.00 C ATOM 201 C GLU A 16 -1.683 5.073 6.524 1.00 0.00 C ATOM 202 O GLU A 16 -2.405 4.137 6.876 1.00 0.00 O ATOM 203 CB GLU A 16 -1.919 7.488 7.111 1.00 0.00 C ATOM 204 CG GLU A 16 -1.948 8.522 8.223 1.00 0.00 C ATOM 205 CD GLU A 16 -2.956 8.178 9.298 1.00 0.00 C ATOM 206 OE1 GLU A 16 -4.024 7.627 8.953 1.00 0.00 O ATOM 207 OE2 GLU A 16 -2.685 8.445 10.491 1.00 0.00 O ATOM 0 H GLU A 16 0.501 7.243 7.302 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.610 5.872 8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.379 7.902 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.940 7.298 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.957 8.601 8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.187 9.499 7.802 1.00 0.00 H new ATOM 214 N PHE A 17 -1.192 5.195 5.296 1.00 0.00 N ATOM 215 CA PHE A 17 -1.543 4.267 4.234 1.00 0.00 C ATOM 216 C PHE A 17 -1.101 2.846 4.570 1.00 0.00 C ATOM 217 O PHE A 17 -1.922 1.928 4.574 1.00 0.00 O ATOM 218 CB PHE A 17 -0.918 4.710 2.906 1.00 0.00 C ATOM 219 CG PHE A 17 -1.419 3.943 1.707 1.00 0.00 C ATOM 220 CD1 PHE A 17 -0.946 2.669 1.428 1.00 0.00 C ATOM 221 CD2 PHE A 17 -2.361 4.503 0.859 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.404 1.969 0.329 1.00 0.00 C ATOM 223 CE2 PHE A 17 -2.822 3.806 -0.244 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.342 2.538 -0.507 1.00 0.00 C ATOM 0 H PHE A 17 -0.547 5.932 5.013 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.629 4.272 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.120 5.771 2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.164 4.598 2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.210 2.219 2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.739 5.494 1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.028 0.977 0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.556 4.253 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.701 1.992 -1.367 1.00 0.00 H new ATOM 234 N LEU A 18 0.190 2.664 4.866 1.00 0.00 N ATOM 235 CA LEU A 18 0.741 1.333 5.058 1.00 0.00 C ATOM 236 C LEU A 18 0.069 0.622 6.223 1.00 0.00 C ATOM 237 O LEU A 18 -0.330 -0.530 6.093 1.00 0.00 O ATOM 238 CB LEU A 18 2.255 1.403 5.287 1.00 0.00 C ATOM 239 CG LEU A 18 3.069 2.063 4.168 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.531 2.162 4.568 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.933 1.288 2.869 1.00 0.00 C ATOM 0 H LEU A 18 0.864 3.422 4.976 1.00 0.00 H new ATOM 0 HA LEU A 18 0.548 0.761 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.439 1.947 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.629 0.390 5.433 1.00 0.00 H new ATOM 0 HG LEU A 18 2.677 3.068 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.097 2.633 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.621 2.761 5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.926 1.163 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.520 1.776 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.296 0.270 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.885 1.260 2.570 1.00 0.00 H new ATOM 253 N ASN A 19 -0.086 1.320 7.345 1.00 0.00 N ATOM 254 CA ASN A 19 -0.657 0.714 8.545 1.00 0.00 C ATOM 255 C ASN A 19 -2.091 0.250 8.304 1.00 0.00 C ATOM 256 O ASN A 19 -2.424 -0.909 8.561 1.00 0.00 O ATOM 257 CB ASN A 19 -0.628 1.689 9.720 1.00 0.00 C ATOM 258 CG ASN A 19 -1.079 1.031 11.010 1.00 0.00 C ATOM 259 OD1 ASN A 19 -2.255 1.068 11.359 1.00 0.00 O ATOM 260 ND2 ASN A 19 -0.143 0.412 11.718 1.00 0.00 N ATOM 0 H ASN A 19 0.174 2.301 7.449 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.044 -0.154 8.788 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.383 2.078 9.845 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.273 2.540 9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.390 -0.058 12.589 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.823 0.406 11.391 1.00 0.00 H new ATOM 267 N ARG A 20 -2.940 1.150 7.809 1.00 0.00 N ATOM 268 CA ARG A 20 -4.344 0.820 7.600 1.00 0.00 C ATOM 269 C ARG A 20 -4.514 -0.251 6.531 1.00 0.00 C ATOM 270 O ARG A 20 -5.317 -1.163 6.700 1.00 0.00 O ATOM 271 CB ARG A 20 -5.155 2.059 7.229 1.00 0.00 C ATOM 272 CG ARG A 20 -4.985 3.210 8.202 1.00 0.00 C ATOM 273 CD ARG A 20 -6.124 4.209 8.098 1.00 0.00 C ATOM 274 NE ARG A 20 -6.485 4.520 6.720 1.00 0.00 N ATOM 275 CZ ARG A 20 -6.060 5.590 6.054 1.00 0.00 C ATOM 276 NH1 ARG A 20 -5.169 6.414 6.587 1.00 0.00 N ATOM 277 NH2 ARG A 20 -6.530 5.838 4.842 1.00 0.00 N ATOM 0 H ARG A 20 -2.682 2.102 7.549 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.721 0.426 8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.862 2.390 6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.210 1.790 7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.934 2.822 9.219 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.039 3.715 8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.997 3.811 8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.841 5.129 8.610 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.106 3.873 6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.800 6.232 7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.853 7.231 6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.215 5.210 4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.207 6.657 4.328 1.00 0.00 H new ATOM 291 N PHE A 21 -3.757 -0.148 5.442 1.00 0.00 N ATOM 292 CA PHE A 21 -3.816 -1.141 4.370 1.00 0.00 C ATOM 293 C PHE A 21 -3.464 -2.509 4.924 1.00 0.00 C ATOM 294 O PHE A 21 -4.174 -3.496 4.719 1.00 0.00 O ATOM 295 CB PHE A 21 -2.829 -0.764 3.262 1.00 0.00 C ATOM 296 CG PHE A 21 -2.749 -1.762 2.142 1.00 0.00 C ATOM 297 CD1 PHE A 21 -3.797 -1.918 1.248 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.617 -2.546 1.983 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.717 -2.838 0.221 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.532 -3.465 0.958 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.582 -3.613 0.076 1.00 0.00 C ATOM 0 H PHE A 21 -3.096 0.611 5.277 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.825 -1.167 3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.114 0.204 2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.838 -0.645 3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.686 -1.314 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.791 -2.436 2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.541 -2.952 -0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.643 -4.069 0.846 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.517 -4.333 -0.726 1.00 0.00 H new ATOM 311 N TYR A 22 -2.364 -2.520 5.645 1.00 0.00 N ATOM 312 CA TYR A 22 -1.839 -3.701 6.292 1.00 0.00 C ATOM 313 C TYR A 22 -2.895 -4.364 7.177 1.00 0.00 C ATOM 314 O TYR A 22 -3.219 -5.543 7.006 1.00 0.00 O ATOM 315 CB TYR A 22 -0.635 -3.250 7.109 1.00 0.00 C ATOM 316 CG TYR A 22 0.155 -4.341 7.770 1.00 0.00 C ATOM 317 CD1 TYR A 22 1.118 -5.039 7.060 1.00 0.00 C ATOM 318 CD2 TYR A 22 -0.033 -4.647 9.108 1.00 0.00 C ATOM 319 CE1 TYR A 22 1.869 -6.018 7.665 1.00 0.00 C ATOM 320 CE2 TYR A 22 0.719 -5.620 9.723 1.00 0.00 C ATOM 321 CZ TYR A 22 1.668 -6.303 8.997 1.00 0.00 C ATOM 322 OH TYR A 22 2.429 -7.268 9.603 1.00 0.00 O ATOM 0 H TYR A 22 -1.797 -1.687 5.801 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.548 -4.450 5.556 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.033 -2.689 6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.981 -2.561 7.879 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.281 -4.811 6.017 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.781 -4.114 9.676 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.612 -6.560 7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.566 -5.847 10.768 1.00 0.00 H new ATOM 0 HH TYR A 22 1.867 -7.795 10.209 1.00 0.00 H new ATOM 332 N LYS A 23 -3.455 -3.595 8.104 1.00 0.00 N ATOM 333 CA LYS A 23 -4.451 -4.120 9.023 1.00 0.00 C ATOM 334 C LYS A 23 -5.745 -4.491 8.313 1.00 0.00 C ATOM 335 O LYS A 23 -6.398 -5.456 8.688 1.00 0.00 O ATOM 336 CB LYS A 23 -4.722 -3.137 10.144 1.00 0.00 C ATOM 337 CG LYS A 23 -3.510 -2.872 11.022 1.00 0.00 C ATOM 338 CD LYS A 23 -2.754 -4.158 11.307 1.00 0.00 C ATOM 339 CE LYS A 23 -1.614 -3.945 12.290 1.00 0.00 C ATOM 340 NZ LYS A 23 -2.104 -3.751 13.678 1.00 0.00 N ATOM 0 H LYS A 23 -3.235 -2.608 8.237 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.041 -5.034 9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.064 -2.195 9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.533 -3.519 10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.849 -2.159 10.530 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.828 -2.417 11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.443 -4.902 11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.358 -4.559 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.944 -4.804 12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.032 -3.075 11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.293 -3.677 14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.668 -2.879 13.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.695 -4.561 13.954 1.00 0.00 H new ATOM 354 N SER A 24 -6.101 -3.741 7.278 1.00 0.00 N ATOM 355 CA SER A 24 -7.317 -4.014 6.518 1.00 0.00 C ATOM 356 C SER A 24 -7.258 -5.387 5.853 1.00 0.00 C ATOM 357 O SER A 24 -8.270 -6.074 5.731 1.00 0.00 O ATOM 358 CB SER A 24 -7.540 -2.925 5.466 1.00 0.00 C ATOM 359 OG SER A 24 -7.803 -1.676 6.085 1.00 0.00 O ATOM 0 H SER A 24 -5.566 -2.939 6.945 1.00 0.00 H new ATOM 0 HA SER A 24 -8.156 -4.013 7.214 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.660 -2.842 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.375 -3.200 4.822 1.00 0.00 H new ATOM 0 HG SER A 24 -6.958 -1.265 6.365 1.00 0.00 H new ATOM 365 N LEU A 25 -6.064 -5.788 5.444 1.00 0.00 N ATOM 366 CA LEU A 25 -5.880 -7.072 4.782 1.00 0.00 C ATOM 367 C LEU A 25 -5.895 -8.205 5.791 1.00 0.00 C ATOM 368 O LEU A 25 -6.472 -9.261 5.541 1.00 0.00 O ATOM 369 CB LEU A 25 -4.585 -7.067 3.978 1.00 0.00 C ATOM 370 CG LEU A 25 -4.764 -6.691 2.508 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.782 -5.566 2.360 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.429 -6.300 1.900 1.00 0.00 C ATOM 0 H LEU A 25 -5.209 -5.244 5.558 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.710 -7.233 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.887 -6.368 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.130 -8.056 4.036 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.145 -7.559 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.895 -5.314 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.743 -5.890 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.438 -4.689 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.570 -6.034 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.020 -5.446 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.737 -7.139 1.971 1.00 0.00 H new ATOM 384 N ILE A 26 -5.274 -7.978 6.940 1.00 0.00 N ATOM 385 CA ILE A 26 -5.309 -8.949 8.024 1.00 0.00 C ATOM 386 C ILE A 26 -6.739 -9.092 8.544 1.00 0.00 C ATOM 387 O ILE A 26 -7.244 -10.200 8.728 1.00 0.00 O ATOM 388 CB ILE A 26 -4.379 -8.534 9.189 1.00 0.00 C ATOM 389 CG1 ILE A 26 -2.949 -8.303 8.686 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.393 -9.587 10.291 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.325 -9.513 8.023 1.00 0.00 C ATOM 0 H ILE A 26 -4.741 -7.133 7.145 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.957 -9.902 7.629 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.752 -7.598 9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.954 -7.475 7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.324 -7.999 9.526 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.733 -9.276 11.100 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.407 -9.700 10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.049 -10.540 9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.315 -9.268 7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.286 -10.338 8.734 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.925 -9.806 7.161 1.00 0.00 H new ATOM 403 N ASP A 27 -7.384 -7.949 8.746 1.00 0.00 N ATOM 404 CA ASP A 27 -8.756 -7.891 9.245 1.00 0.00 C ATOM 405 C ASP A 27 -9.726 -8.596 8.302 1.00 0.00 C ATOM 406 O ASP A 27 -10.493 -9.457 8.725 1.00 0.00 O ATOM 407 CB ASP A 27 -9.178 -6.428 9.429 1.00 0.00 C ATOM 408 CG ASP A 27 -10.610 -6.272 9.897 1.00 0.00 C ATOM 409 OD1 ASP A 27 -10.849 -6.315 11.125 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.501 -6.074 9.043 1.00 0.00 O ATOM 0 H ASP A 27 -6.971 -7.033 8.568 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.788 -8.407 10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.513 -5.953 10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.052 -5.899 8.484 1.00 0.00 H new ATOM 415 N ARG A 28 -9.680 -8.242 7.021 1.00 0.00 N ATOM 416 CA ARG A 28 -10.614 -8.802 6.051 1.00 0.00 C ATOM 417 C ARG A 28 -10.226 -10.212 5.620 1.00 0.00 C ATOM 418 O ARG A 28 -11.025 -10.918 5.003 1.00 0.00 O ATOM 419 CB ARG A 28 -10.769 -7.896 4.830 1.00 0.00 C ATOM 420 CG ARG A 28 -11.488 -6.597 5.142 1.00 0.00 C ATOM 421 CD ARG A 28 -11.948 -5.873 3.884 1.00 0.00 C ATOM 422 NE ARG A 28 -10.838 -5.394 3.059 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.380 -4.145 3.089 1.00 0.00 C ATOM 424 NH1 ARG A 28 -10.854 -3.285 3.983 1.00 0.00 N ATOM 425 NH2 ARG A 28 -9.441 -3.756 2.231 1.00 0.00 N ATOM 0 H ARG A 28 -9.012 -7.576 6.633 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.578 -8.865 6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.783 -7.670 4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.318 -8.431 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.351 -6.805 5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.825 -5.945 5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.569 -6.545 3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.574 -5.027 4.167 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.390 -6.055 2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.569 -3.582 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.503 -2.328 4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.070 -4.416 1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.092 -2.798 2.257 1.00 0.00 H new ATOM 439 N GLY A 29 -9.003 -10.621 5.940 1.00 0.00 N ATOM 440 CA GLY A 29 -8.519 -11.924 5.513 1.00 0.00 C ATOM 441 C GLY A 29 -8.179 -11.912 4.043 1.00 0.00 C ATOM 442 O GLY A 29 -8.198 -12.942 3.366 1.00 0.00 O ATOM 0 H GLY A 29 -8.337 -10.075 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.638 -12.198 6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.278 -12.681 5.710 1.00 0.00 H new ATOM 446 N VAL A 30 -7.858 -10.726 3.566 1.00 0.00 N ATOM 447 CA VAL A 30 -7.628 -10.474 2.163 1.00 0.00 C ATOM 448 C VAL A 30 -6.134 -10.217 1.922 1.00 0.00 C ATOM 449 O VAL A 30 -5.718 -9.179 1.416 1.00 0.00 O ATOM 450 CB VAL A 30 -8.512 -9.277 1.720 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.296 -8.076 2.623 1.00 0.00 C ATOM 452 CG2 VAL A 30 -8.264 -8.892 0.286 1.00 0.00 C ATOM 0 H VAL A 30 -7.749 -9.900 4.154 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.905 -11.340 1.563 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.548 -9.603 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.927 -7.252 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.555 -8.340 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.250 -7.772 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.904 -8.051 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.219 -8.607 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.489 -9.739 -0.362 1.00 0.00 H new ATOM 462 N ASN A 31 -5.317 -11.185 2.295 1.00 0.00 N ATOM 463 CA ASN A 31 -3.877 -10.995 2.269 1.00 0.00 C ATOM 464 C ASN A 31 -3.166 -12.256 1.785 1.00 0.00 C ATOM 465 O ASN A 31 -3.814 -13.250 1.444 1.00 0.00 O ATOM 466 CB ASN A 31 -3.404 -10.604 3.672 1.00 0.00 C ATOM 467 CG ASN A 31 -1.984 -10.061 3.720 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.273 -10.269 4.698 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.560 -9.365 2.669 1.00 0.00 N ATOM 0 H ASN A 31 -5.622 -12.104 2.617 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.631 -10.198 1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.083 -9.853 4.076 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.470 -11.476 4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.614 -8.983 2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.181 -9.213 1.874 1.00 0.00 H new ATOM 476 N PHE A 32 -1.834 -12.187 1.744 1.00 0.00 N ATOM 477 CA PHE A 32 -0.967 -13.271 1.281 1.00 0.00 C ATOM 478 C PHE A 32 -1.035 -13.427 -0.237 1.00 0.00 C ATOM 479 O PHE A 32 -0.009 -13.364 -0.914 1.00 0.00 O ATOM 480 CB PHE A 32 -1.285 -14.600 1.974 1.00 0.00 C ATOM 481 CG PHE A 32 -0.226 -15.641 1.751 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.960 -15.592 2.464 1.00 0.00 C ATOM 483 CD2 PHE A 32 -0.407 -16.654 0.825 1.00 0.00 C ATOM 484 CE1 PHE A 32 1.947 -16.536 2.260 1.00 0.00 C ATOM 485 CE2 PHE A 32 0.577 -17.599 0.614 1.00 0.00 C ATOM 486 CZ PHE A 32 1.756 -17.541 1.333 1.00 0.00 C ATOM 0 H PHE A 32 -1.317 -11.358 2.038 1.00 0.00 H new ATOM 0 HA PHE A 32 0.052 -12.995 1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.399 -14.428 3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.240 -14.976 1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.115 -14.806 3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.327 -16.706 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.866 -16.488 2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.426 -18.383 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.526 -18.280 1.170 1.00 0.00 H new ATOM 496 N SER A 33 -2.239 -13.620 -0.763 1.00 0.00 N ATOM 497 CA SER A 33 -2.447 -13.746 -2.199 1.00 0.00 C ATOM 498 C SER A 33 -1.994 -12.479 -2.922 1.00 0.00 C ATOM 499 O SER A 33 -2.626 -11.427 -2.809 1.00 0.00 O ATOM 500 CB SER A 33 -3.926 -14.012 -2.475 1.00 0.00 C ATOM 501 OG SER A 33 -4.376 -15.143 -1.749 1.00 0.00 O ATOM 0 H SER A 33 -3.093 -13.693 -0.210 1.00 0.00 H new ATOM 0 HA SER A 33 -1.853 -14.580 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.516 -13.138 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.078 -14.174 -3.542 1.00 0.00 H new ATOM 0 HG SER A 33 -5.325 -15.296 -1.937 1.00 0.00 H new ATOM 507 N LEU A 34 -0.895 -12.596 -3.662 1.00 0.00 N ATOM 508 CA LEU A 34 -0.286 -11.458 -4.342 1.00 0.00 C ATOM 509 C LEU A 34 -1.242 -10.811 -5.328 1.00 0.00 C ATOM 510 O LEU A 34 -1.276 -9.587 -5.448 1.00 0.00 O ATOM 511 CB LEU A 34 0.998 -11.876 -5.063 1.00 0.00 C ATOM 512 CG LEU A 34 2.237 -12.014 -4.174 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.405 -10.782 -3.311 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.174 -13.255 -3.302 1.00 0.00 C ATOM 0 H LEU A 34 -0.404 -13.478 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.042 -10.723 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.821 -12.830 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.211 -11.145 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 34 3.100 -12.115 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.290 -10.895 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.520 -9.905 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.526 -10.658 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.072 -13.314 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.296 -13.203 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.108 -14.141 -3.934 1.00 0.00 H new ATOM 526 N ASP A 35 -2.017 -11.628 -6.027 1.00 0.00 N ATOM 527 CA ASP A 35 -2.999 -11.118 -6.977 1.00 0.00 C ATOM 528 C ASP A 35 -4.029 -10.249 -6.269 1.00 0.00 C ATOM 529 O ASP A 35 -4.457 -9.216 -6.784 1.00 0.00 O ATOM 530 CB ASP A 35 -3.709 -12.267 -7.692 1.00 0.00 C ATOM 531 CG ASP A 35 -4.847 -11.782 -8.568 1.00 0.00 C ATOM 532 OD1 ASP A 35 -4.583 -11.336 -9.704 1.00 0.00 O ATOM 533 OD2 ASP A 35 -6.015 -11.847 -8.127 1.00 0.00 O ATOM 0 H ASP A 35 -1.986 -12.645 -5.955 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.468 -10.515 -7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.990 -12.812 -8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.096 -12.969 -6.953 1.00 0.00 H new ATOM 538 N THR A 36 -4.404 -10.665 -5.076 1.00 0.00 N ATOM 539 CA THR A 36 -5.412 -9.965 -4.310 1.00 0.00 C ATOM 540 C THR A 36 -4.847 -8.699 -3.685 1.00 0.00 C ATOM 541 O THR A 36 -5.494 -7.655 -3.703 1.00 0.00 O ATOM 542 CB THR A 36 -5.993 -10.884 -3.225 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.405 -12.123 -3.818 1.00 0.00 O ATOM 544 CG2 THR A 36 -7.175 -10.232 -2.532 1.00 0.00 C ATOM 0 H THR A 36 -4.022 -11.490 -4.615 1.00 0.00 H new ATOM 0 HA THR A 36 -6.212 -9.676 -4.991 1.00 0.00 H new ATOM 0 HB THR A 36 -5.220 -11.068 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.774 -12.710 -3.126 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.566 -10.905 -1.769 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.854 -9.301 -2.065 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.955 -10.021 -3.264 1.00 0.00 H new ATOM 552 N ILE A 37 -3.631 -8.783 -3.159 1.00 0.00 N ATOM 553 CA ILE A 37 -2.966 -7.606 -2.616 1.00 0.00 C ATOM 554 C ILE A 37 -2.798 -6.568 -3.719 1.00 0.00 C ATOM 555 O ILE A 37 -2.848 -5.363 -3.477 1.00 0.00 O ATOM 556 CB ILE A 37 -1.588 -7.960 -2.020 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.732 -9.082 -0.993 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.952 -6.734 -1.376 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.411 -9.624 -0.503 1.00 0.00 C ATOM 0 H ILE A 37 -3.090 -9.645 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.584 -7.203 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.939 -8.301 -2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.303 -8.713 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.308 -9.895 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.019 -7.004 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.822 -5.955 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.597 -6.366 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.590 -10.417 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.153 -10.024 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.159 -8.823 -0.032 1.00 0.00 H new ATOM 571 N GLU A 38 -2.617 -7.061 -4.938 1.00 0.00 N ATOM 572 CA GLU A 38 -2.526 -6.211 -6.110 1.00 0.00 C ATOM 573 C GLU A 38 -3.834 -5.455 -6.325 1.00 0.00 C ATOM 574 O GLU A 38 -3.841 -4.230 -6.464 1.00 0.00 O ATOM 575 CB GLU A 38 -2.180 -7.058 -7.336 1.00 0.00 C ATOM 576 CG GLU A 38 -2.049 -6.270 -8.626 1.00 0.00 C ATOM 577 CD GLU A 38 -1.585 -7.137 -9.775 1.00 0.00 C ATOM 578 OE1 GLU A 38 -2.441 -7.756 -10.446 1.00 0.00 O ATOM 579 OE2 GLU A 38 -0.359 -7.215 -10.004 1.00 0.00 O ATOM 0 H GLU A 38 -2.530 -8.057 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.735 -5.477 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.243 -7.582 -7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.950 -7.819 -7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.010 -5.821 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.343 -5.452 -8.481 1.00 0.00 H new ATOM 586 N LYS A 39 -4.938 -6.189 -6.318 1.00 0.00 N ATOM 587 CA LYS A 39 -6.256 -5.593 -6.483 1.00 0.00 C ATOM 588 C LYS A 39 -6.567 -4.634 -5.334 1.00 0.00 C ATOM 589 O LYS A 39 -7.213 -3.600 -5.524 1.00 0.00 O ATOM 590 CB LYS A 39 -7.326 -6.687 -6.557 1.00 0.00 C ATOM 591 CG LYS A 39 -8.741 -6.145 -6.662 1.00 0.00 C ATOM 592 CD LYS A 39 -8.952 -5.368 -7.950 1.00 0.00 C ATOM 593 CE LYS A 39 -10.170 -4.467 -7.855 1.00 0.00 C ATOM 594 NZ LYS A 39 -10.439 -3.758 -9.132 1.00 0.00 N ATOM 0 H LYS A 39 -4.946 -7.202 -6.199 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.260 -5.027 -7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.124 -7.323 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.252 -7.317 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.451 -6.971 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.947 -5.498 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.068 -4.767 -8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.074 -6.063 -8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.041 -5.062 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.020 -3.737 -7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.279 -3.154 -9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.619 -3.169 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.608 -4.454 -9.886 1.00 0.00 H new ATOM 608 N GLU A 40 -6.099 -4.976 -4.146 1.00 0.00 N ATOM 609 CA GLU A 40 -6.350 -4.167 -2.966 1.00 0.00 C ATOM 610 C GLU A 40 -5.515 -2.901 -2.967 1.00 0.00 C ATOM 611 O GLU A 40 -5.989 -1.859 -2.534 1.00 0.00 O ATOM 612 CB GLU A 40 -6.103 -4.973 -1.696 1.00 0.00 C ATOM 613 CG GLU A 40 -7.131 -6.065 -1.469 1.00 0.00 C ATOM 614 CD GLU A 40 -8.510 -5.518 -1.160 1.00 0.00 C ATOM 615 OE1 GLU A 40 -8.769 -5.162 0.011 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.351 -5.454 -2.082 1.00 0.00 O ATOM 0 H GLU A 40 -5.541 -5.812 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.398 -3.870 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.111 -5.422 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.105 -4.298 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.186 -6.696 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.804 -6.700 -0.646 1.00 0.00 H new ATOM 623 N LEU A 41 -4.280 -2.976 -3.450 1.00 0.00 N ATOM 624 CA LEU A 41 -3.483 -1.769 -3.637 1.00 0.00 C ATOM 625 C LEU A 41 -4.212 -0.821 -4.575 1.00 0.00 C ATOM 626 O LEU A 41 -4.223 0.391 -4.370 1.00 0.00 O ATOM 627 CB LEU A 41 -2.093 -2.094 -4.193 1.00 0.00 C ATOM 628 CG LEU A 41 -1.051 -2.496 -3.149 1.00 0.00 C ATOM 629 CD1 LEU A 41 0.265 -2.839 -3.823 1.00 0.00 C ATOM 630 CD2 LEU A 41 -0.850 -1.375 -2.138 1.00 0.00 C ATOM 0 H LEU A 41 -3.815 -3.844 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.347 -1.294 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.189 -2.903 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.724 -1.223 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.413 -3.378 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.997 -3.123 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.115 -3.669 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.629 -1.971 -4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.105 -1.678 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.507 -0.478 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.794 -1.166 -1.634 1.00 0.00 H new ATOM 642 N ILE A 42 -4.842 -1.395 -5.590 1.00 0.00 N ATOM 643 CA ILE A 42 -5.649 -0.631 -6.528 1.00 0.00 C ATOM 644 C ILE A 42 -6.868 -0.028 -5.833 1.00 0.00 C ATOM 645 O ILE A 42 -7.134 1.168 -5.951 1.00 0.00 O ATOM 646 CB ILE A 42 -6.099 -1.520 -7.709 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.877 -2.005 -8.495 1.00 0.00 C ATOM 648 CG2 ILE A 42 -7.062 -0.770 -8.617 1.00 0.00 C ATOM 649 CD1 ILE A 42 -5.202 -3.014 -9.576 1.00 0.00 C ATOM 0 H ILE A 42 -4.808 -2.396 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.034 0.182 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.625 -2.387 -7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.386 -1.145 -8.950 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.164 -2.449 -7.801 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.364 -1.417 -9.441 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.942 -0.473 -8.047 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.570 0.118 -9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.285 -3.308 -10.087 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.665 -3.893 -9.126 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.890 -2.569 -10.294 1.00 0.00 H new ATOM 661 N SER A 43 -7.585 -0.858 -5.091 1.00 0.00 N ATOM 662 CA SER A 43 -8.783 -0.421 -4.386 1.00 0.00 C ATOM 663 C SER A 43 -8.444 0.630 -3.326 1.00 0.00 C ATOM 664 O SER A 43 -8.967 1.748 -3.349 1.00 0.00 O ATOM 665 CB SER A 43 -9.459 -1.624 -3.726 1.00 0.00 C ATOM 666 OG SER A 43 -9.704 -2.657 -4.671 1.00 0.00 O ATOM 0 H SER A 43 -7.357 -1.844 -4.960 1.00 0.00 H new ATOM 0 HA SER A 43 -9.462 0.030 -5.109 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.828 -2.004 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.399 -1.312 -3.272 1.00 0.00 H new ATOM 0 HG SER A 43 -8.854 -3.067 -4.936 1.00 0.00 H new ATOM 672 N PHE A 44 -7.528 0.270 -2.435 1.00 0.00 N ATOM 673 CA PHE A 44 -7.167 1.094 -1.287 1.00 0.00 C ATOM 674 C PHE A 44 -6.593 2.433 -1.744 1.00 0.00 C ATOM 675 O PHE A 44 -6.726 3.441 -1.057 1.00 0.00 O ATOM 676 CB PHE A 44 -6.151 0.341 -0.424 1.00 0.00 C ATOM 677 CG PHE A 44 -6.152 0.735 1.025 1.00 0.00 C ATOM 678 CD1 PHE A 44 -7.036 0.144 1.915 1.00 0.00 C ATOM 679 CD2 PHE A 44 -5.264 1.685 1.501 1.00 0.00 C ATOM 680 CE1 PHE A 44 -7.035 0.497 3.249 1.00 0.00 C ATOM 681 CE2 PHE A 44 -5.259 2.040 2.835 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.145 1.447 3.709 1.00 0.00 C ATOM 0 H PHE A 44 -7.011 -0.608 -2.489 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.061 1.297 -0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.352 -0.728 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.154 0.506 -0.832 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.733 -0.601 1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.568 2.153 0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.729 0.031 3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.561 2.782 3.194 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.143 1.725 4.753 1.00 0.00 H new ATOM 692 N CYS A 45 -5.962 2.426 -2.915 1.00 0.00 N ATOM 693 CA CYS A 45 -5.449 3.642 -3.535 1.00 0.00 C ATOM 694 C CYS A 45 -6.542 4.696 -3.671 1.00 0.00 C ATOM 695 O CYS A 45 -6.366 5.840 -3.266 1.00 0.00 O ATOM 696 CB CYS A 45 -4.862 3.310 -4.913 1.00 0.00 C ATOM 697 SG CYS A 45 -4.645 4.733 -6.037 1.00 0.00 S ATOM 0 H CYS A 45 -5.793 1.580 -3.459 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.667 4.051 -2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.894 2.831 -4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.510 2.581 -5.399 1.00 0.00 H new ATOM 702 N LEU A 46 -7.672 4.306 -4.235 1.00 0.00 N ATOM 703 CA LEU A 46 -8.756 5.245 -4.482 1.00 0.00 C ATOM 704 C LEU A 46 -9.698 5.354 -3.283 1.00 0.00 C ATOM 705 O LEU A 46 -10.511 6.276 -3.201 1.00 0.00 O ATOM 706 CB LEU A 46 -9.527 4.834 -5.729 1.00 0.00 C ATOM 707 CG LEU A 46 -8.725 4.888 -7.031 1.00 0.00 C ATOM 708 CD1 LEU A 46 -9.567 4.408 -8.201 1.00 0.00 C ATOM 709 CD2 LEU A 46 -8.215 6.300 -7.286 1.00 0.00 C ATOM 0 H LEU A 46 -7.864 3.349 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.315 6.229 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.898 3.819 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.398 5.481 -5.829 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.867 4.223 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.978 4.455 -9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.883 3.380 -8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.446 5.045 -8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.647 6.319 -8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.060 6.984 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.572 6.609 -6.462 1.00 0.00 H new ATOM 721 N ASP A 47 -9.590 4.408 -2.359 1.00 0.00 N ATOM 722 CA ASP A 47 -10.513 4.336 -1.225 1.00 0.00 C ATOM 723 C ASP A 47 -9.943 5.046 0.004 1.00 0.00 C ATOM 724 O ASP A 47 -10.586 5.124 1.050 1.00 0.00 O ATOM 725 CB ASP A 47 -10.830 2.874 -0.900 1.00 0.00 C ATOM 726 CG ASP A 47 -11.997 2.721 0.059 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.158 2.835 -0.386 1.00 0.00 O ATOM 728 OD2 ASP A 47 -11.761 2.471 1.260 1.00 0.00 O ATOM 0 H ASP A 47 -8.876 3.680 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.434 4.847 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.054 2.342 -1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.947 2.404 -0.468 1.00 0.00 H new ATOM 733 N THR A 48 -8.735 5.566 -0.124 1.00 0.00 N ATOM 734 CA THR A 48 -8.111 6.320 0.950 1.00 0.00 C ATOM 735 C THR A 48 -8.536 7.783 0.904 1.00 0.00 C ATOM 736 O THR A 48 -9.538 8.122 0.272 1.00 0.00 O ATOM 737 CB THR A 48 -6.584 6.229 0.857 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.188 6.004 -0.500 1.00 0.00 O ATOM 739 CG2 THR A 48 -6.047 5.114 1.736 1.00 0.00 C ATOM 0 H THR A 48 -8.164 5.480 -0.965 1.00 0.00 H new ATOM 0 HA THR A 48 -8.439 5.886 1.894 1.00 0.00 H new ATOM 0 HB THR A 48 -6.169 7.174 1.207 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.063 5.044 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.961 5.073 1.650 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.322 5.304 2.774 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.472 4.162 1.417 1.00 0.00 H new ATOM 747 N LYS A 49 -7.784 8.649 1.563 1.00 0.00 N ATOM 748 CA LYS A 49 -8.073 10.071 1.529 1.00 0.00 C ATOM 749 C LYS A 49 -7.269 10.740 0.437 1.00 0.00 C ATOM 750 O LYS A 49 -6.368 10.133 -0.119 1.00 0.00 O ATOM 751 CB LYS A 49 -7.767 10.714 2.881 1.00 0.00 C ATOM 752 CG LYS A 49 -8.400 9.984 4.053 1.00 0.00 C ATOM 753 CD LYS A 49 -9.917 10.063 4.008 1.00 0.00 C ATOM 754 CE LYS A 49 -10.542 9.302 5.163 1.00 0.00 C ATOM 755 NZ LYS A 49 -12.027 9.339 5.116 1.00 0.00 N ATOM 0 H LYS A 49 -6.973 8.393 2.125 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.134 10.204 1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.687 10.747 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.119 11.746 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.089 8.939 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.040 10.414 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.230 11.106 4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.277 9.655 3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.204 8.266 5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.198 9.728 6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.413 8.808 5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.351 10.326 5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.357 8.909 4.228 1.00 0.00 H new ATOM 769 N GLY A 50 -7.596 11.995 0.156 1.00 0.00 N ATOM 770 CA GLY A 50 -7.048 12.688 -0.998 1.00 0.00 C ATOM 771 C GLY A 50 -5.549 12.537 -1.161 1.00 0.00 C ATOM 772 O GLY A 50 -5.082 12.144 -2.229 1.00 0.00 O ATOM 0 H GLY A 50 -8.241 12.554 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.539 12.316 -1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.288 13.748 -0.919 1.00 0.00 H new ATOM 776 N LYS A 51 -4.792 12.828 -0.112 1.00 0.00 N ATOM 777 CA LYS A 51 -3.340 12.726 -0.177 1.00 0.00 C ATOM 778 C LYS A 51 -2.909 11.286 -0.415 1.00 0.00 C ATOM 779 O LYS A 51 -1.999 11.019 -1.194 1.00 0.00 O ATOM 780 CB LYS A 51 -2.700 13.254 1.107 1.00 0.00 C ATOM 781 CG LYS A 51 -1.851 14.494 0.893 1.00 0.00 C ATOM 782 CD LYS A 51 -2.666 15.634 0.312 1.00 0.00 C ATOM 783 CE LYS A 51 -1.791 16.830 -0.015 1.00 0.00 C ATOM 784 NZ LYS A 51 -2.583 17.942 -0.606 1.00 0.00 N ATOM 0 H LYS A 51 -5.156 13.135 0.790 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.001 13.336 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.485 13.480 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.081 12.470 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.414 14.805 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.024 14.259 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.175 15.296 -0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.438 15.930 1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.295 17.177 0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.008 16.529 -0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.938 18.663 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.181 17.573 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.184 18.368 0.128 1.00 0.00 H new ATOM 798 N GLU A 52 -3.592 10.366 0.236 1.00 0.00 N ATOM 799 CA GLU A 52 -3.280 8.950 0.127 1.00 0.00 C ATOM 800 C GLU A 52 -3.698 8.412 -1.246 1.00 0.00 C ATOM 801 O GLU A 52 -3.060 7.508 -1.794 1.00 0.00 O ATOM 802 CB GLU A 52 -3.994 8.200 1.246 1.00 0.00 C ATOM 803 CG GLU A 52 -3.744 8.792 2.626 1.00 0.00 C ATOM 804 CD GLU A 52 -4.696 8.255 3.675 1.00 0.00 C ATOM 805 OE1 GLU A 52 -5.849 7.930 3.324 1.00 0.00 O ATOM 806 OE2 GLU A 52 -4.309 8.166 4.857 1.00 0.00 O ATOM 0 H GLU A 52 -4.376 10.575 0.854 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.204 8.803 0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.066 8.200 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.669 7.160 1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.719 8.578 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.841 9.876 2.574 1.00 0.00 H new ATOM 813 N ASN A 53 -4.759 8.998 -1.806 1.00 0.00 N ATOM 814 CA ASN A 53 -5.223 8.661 -3.153 1.00 0.00 C ATOM 815 C ASN A 53 -4.185 9.101 -4.178 1.00 0.00 C ATOM 816 O ASN A 53 -4.178 8.637 -5.314 1.00 0.00 O ATOM 817 CB ASN A 53 -6.568 9.345 -3.484 1.00 0.00 C ATOM 818 CG ASN A 53 -7.700 9.026 -2.531 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.574 9.861 -2.295 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.721 7.823 -2.006 1.00 0.00 N ATOM 0 H ASN A 53 -5.317 9.715 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.366 7.581 -3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.416 10.424 -3.496 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.868 9.054 -4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.479 7.553 -1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.979 7.158 -2.225 1.00 0.00 H new ATOM 827 N ARG A 54 -3.334 10.037 -3.782 1.00 0.00 N ATOM 828 CA ARG A 54 -2.196 10.428 -4.601 1.00 0.00 C ATOM 829 C ARG A 54 -1.035 9.491 -4.307 1.00 0.00 C ATOM 830 O ARG A 54 -0.374 8.982 -5.212 1.00 0.00 O ATOM 831 CB ARG A 54 -1.766 11.866 -4.292 1.00 0.00 C ATOM 832 CG ARG A 54 -2.915 12.842 -4.161 1.00 0.00 C ATOM 833 CD ARG A 54 -3.533 13.182 -5.505 1.00 0.00 C ATOM 834 NE ARG A 54 -2.733 14.156 -6.245 1.00 0.00 N ATOM 835 CZ ARG A 54 -3.245 15.227 -6.855 1.00 0.00 C ATOM 836 NH1 ARG A 54 -4.559 15.413 -6.879 1.00 0.00 N ATOM 837 NH2 ARG A 54 -2.443 16.103 -7.445 1.00 0.00 N ATOM 0 H ARG A 54 -3.410 10.540 -2.898 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.484 10.369 -5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.192 11.871 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.099 12.211 -5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.678 12.417 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.561 13.756 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.636 12.273 -6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.537 13.578 -5.353 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.725 14.009 -6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.178 14.737 -6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.950 16.232 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.433 15.959 -7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.836 16.921 -7.911 1.00 0.00 H new ATOM 851 N LEU A 55 -0.838 9.248 -3.014 1.00 0.00 N ATOM 852 CA LEU A 55 0.307 8.506 -2.502 1.00 0.00 C ATOM 853 C LEU A 55 0.384 7.089 -3.060 1.00 0.00 C ATOM 854 O LEU A 55 1.458 6.499 -3.108 1.00 0.00 O ATOM 855 CB LEU A 55 0.245 8.449 -0.976 1.00 0.00 C ATOM 856 CG LEU A 55 1.499 7.913 -0.296 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.663 8.865 -0.513 1.00 0.00 C ATOM 858 CD2 LEU A 55 1.241 7.701 1.185 1.00 0.00 C ATOM 0 H LEU A 55 -1.477 9.565 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 55 1.203 9.034 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.047 9.452 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.601 7.826 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 55 1.759 6.952 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.552 8.470 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.854 8.969 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.419 9.840 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.144 7.318 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.963 8.649 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.431 6.984 1.314 1.00 0.00 H new ATOM 870 N CYS A 56 -0.744 6.537 -3.473 1.00 0.00 N ATOM 871 CA CYS A 56 -0.757 5.185 -4.016 1.00 0.00 C ATOM 872 C CYS A 56 0.055 5.091 -5.304 1.00 0.00 C ATOM 873 O CYS A 56 0.718 4.084 -5.551 1.00 0.00 O ATOM 874 CB CYS A 56 -2.194 4.709 -4.240 1.00 0.00 C ATOM 875 SG CYS A 56 -3.228 5.886 -5.156 1.00 0.00 S ATOM 0 H CYS A 56 -1.654 6.996 -3.445 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.286 4.528 -3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.172 3.763 -4.781 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.656 4.512 -3.272 1.00 0.00 H new ATOM 880 N TYR A 57 0.036 6.147 -6.105 1.00 0.00 N ATOM 881 CA TYR A 57 0.844 6.185 -7.318 1.00 0.00 C ATOM 882 C TYR A 57 2.309 6.416 -6.962 1.00 0.00 C ATOM 883 O TYR A 57 3.207 6.167 -7.767 1.00 0.00 O ATOM 884 CB TYR A 57 0.346 7.273 -8.273 1.00 0.00 C ATOM 885 CG TYR A 57 -0.985 6.956 -8.920 1.00 0.00 C ATOM 886 CD1 TYR A 57 -2.170 7.080 -8.211 1.00 0.00 C ATOM 887 CD2 TYR A 57 -1.054 6.539 -10.244 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.388 6.799 -8.798 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.269 6.255 -10.840 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.433 6.386 -10.112 1.00 0.00 C ATOM 891 OH TYR A 57 -4.649 6.109 -10.699 1.00 0.00 O ATOM 0 H TYR A 57 -0.525 6.983 -5.940 1.00 0.00 H new ATOM 0 HA TYR A 57 0.751 5.225 -7.825 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.259 8.212 -7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.091 7.427 -9.053 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.140 7.402 -7.181 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.144 6.435 -10.816 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.301 6.902 -8.230 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.306 5.932 -11.870 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.508 5.832 -11.628 1.00 0.00 H new ATOM 901 N TYR A 58 2.543 6.882 -5.741 1.00 0.00 N ATOM 902 CA TYR A 58 3.897 7.089 -5.253 1.00 0.00 C ATOM 903 C TYR A 58 4.465 5.797 -4.667 1.00 0.00 C ATOM 904 O TYR A 58 5.555 5.364 -5.040 1.00 0.00 O ATOM 905 CB TYR A 58 3.948 8.206 -4.203 1.00 0.00 C ATOM 906 CG TYR A 58 3.704 9.600 -4.744 1.00 0.00 C ATOM 907 CD1 TYR A 58 2.421 10.046 -5.025 1.00 0.00 C ATOM 908 CD2 TYR A 58 4.764 10.471 -4.967 1.00 0.00 C ATOM 909 CE1 TYR A 58 2.199 11.319 -5.513 1.00 0.00 C ATOM 910 CE2 TYR A 58 4.549 11.747 -5.454 1.00 0.00 C ATOM 911 CZ TYR A 58 3.263 12.165 -5.726 1.00 0.00 C ATOM 912 OH TYR A 58 3.044 13.434 -6.212 1.00 0.00 O ATOM 0 H TYR A 58 1.811 7.123 -5.072 1.00 0.00 H new ATOM 0 HA TYR A 58 4.508 7.391 -6.104 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.206 7.995 -3.433 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.924 8.185 -3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.582 9.387 -4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.772 10.146 -4.756 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.193 11.649 -5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.383 12.413 -5.620 1.00 0.00 H new ATOM 0 HH TYR A 58 3.900 13.901 -6.304 1.00 0.00 H new ATOM 922 N LEU A 59 3.707 5.186 -3.760 1.00 0.00 N ATOM 923 CA LEU A 59 4.132 3.964 -3.080 1.00 0.00 C ATOM 924 C LEU A 59 4.357 2.821 -4.054 1.00 0.00 C ATOM 925 O LEU A 59 5.364 2.126 -3.978 1.00 0.00 O ATOM 926 CB LEU A 59 3.094 3.542 -2.040 1.00 0.00 C ATOM 927 CG LEU A 59 3.049 4.395 -0.776 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.837 4.030 0.060 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.322 4.206 0.031 1.00 0.00 C ATOM 0 H LEU A 59 2.786 5.521 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 59 5.079 4.186 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.109 3.562 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.291 2.509 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 59 2.971 5.443 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.816 4.646 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.930 4.203 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.893 2.978 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.277 4.820 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.422 3.158 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.181 4.504 -0.570 1.00 0.00 H new ATOM 941 N GLY A 60 3.411 2.630 -4.961 1.00 0.00 N ATOM 942 CA GLY A 60 3.515 1.549 -5.915 1.00 0.00 C ATOM 943 C GLY A 60 2.236 0.753 -6.008 1.00 0.00 C ATOM 944 O GLY A 60 2.216 -0.445 -5.737 1.00 0.00 O ATOM 0 H GLY A 60 2.574 3.205 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.762 1.954 -6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.333 0.889 -5.627 1.00 0.00 H new ATOM 948 N ALA A 61 1.161 1.425 -6.376 1.00 0.00 N ATOM 949 CA ALA A 61 -0.128 0.781 -6.524 1.00 0.00 C ATOM 950 C ALA A 61 -0.726 1.116 -7.879 1.00 0.00 C ATOM 951 O ALA A 61 -0.218 1.994 -8.574 1.00 0.00 O ATOM 952 CB ALA A 61 -1.066 1.208 -5.407 1.00 0.00 C ATOM 0 H ALA A 61 1.157 2.425 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 61 0.010 -0.298 -6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.030 0.715 -5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.638 0.927 -4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.204 2.289 -5.441 1.00 0.00 H new ATOM 958 N THR A 62 -1.807 0.413 -8.225 1.00 0.00 N ATOM 959 CA THR A 62 -2.529 0.575 -9.496 1.00 0.00 C ATOM 960 C THR A 62 -1.674 0.144 -10.690 1.00 0.00 C ATOM 961 O THR A 62 -0.464 0.360 -10.728 1.00 0.00 O ATOM 962 CB THR A 62 -3.063 2.018 -9.722 1.00 0.00 C ATOM 963 OG1 THR A 62 -2.004 2.915 -10.078 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.770 2.537 -8.476 1.00 0.00 C ATOM 0 H THR A 62 -2.215 -0.299 -7.620 1.00 0.00 H new ATOM 0 HA THR A 62 -3.395 -0.083 -9.421 1.00 0.00 H new ATOM 0 HB THR A 62 -3.776 1.973 -10.545 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.143 2.519 -9.829 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.134 3.548 -8.659 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.611 1.886 -8.237 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.071 2.549 -7.640 1.00 0.00 H new ATOM 972 N LYS A 63 -2.313 -0.474 -11.671 1.00 0.00 N ATOM 973 CA LYS A 63 -1.603 -0.976 -12.840 1.00 0.00 C ATOM 974 C LYS A 63 -1.556 0.081 -13.934 1.00 0.00 C ATOM 975 O LYS A 63 -1.334 -0.228 -15.107 1.00 0.00 O ATOM 976 CB LYS A 63 -2.257 -2.256 -13.360 1.00 0.00 C ATOM 977 CG LYS A 63 -2.188 -3.415 -12.376 1.00 0.00 C ATOM 978 CD LYS A 63 -2.825 -4.685 -12.932 1.00 0.00 C ATOM 979 CE LYS A 63 -1.981 -5.337 -14.026 1.00 0.00 C ATOM 980 NZ LYS A 63 -1.994 -4.572 -15.302 1.00 0.00 N ATOM 0 H LYS A 63 -3.319 -0.640 -11.682 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.580 -1.209 -12.543 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.301 -2.051 -13.596 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.772 -2.550 -14.291 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.146 -3.614 -12.125 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.691 -3.134 -11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.974 -5.397 -12.120 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.811 -4.447 -13.332 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.953 -5.432 -13.676 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.350 -6.346 -14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.148 -5.225 -16.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.760 -3.869 -15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.083 -4.086 -15.425 1.00 0.00 H new ATOM 994 N ASP A 64 -1.778 1.324 -13.536 1.00 0.00 N ATOM 995 CA ASP A 64 -1.687 2.456 -14.446 1.00 0.00 C ATOM 996 C ASP A 64 -0.287 3.051 -14.391 1.00 0.00 C ATOM 997 O ASP A 64 0.200 3.625 -15.366 1.00 0.00 O ATOM 998 CB ASP A 64 -2.730 3.514 -14.079 1.00 0.00 C ATOM 999 CG ASP A 64 -2.657 4.744 -14.962 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -2.894 4.622 -16.182 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -2.401 5.845 -14.433 1.00 0.00 O ATOM 0 H ASP A 64 -2.025 1.576 -12.579 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.885 2.113 -15.462 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.726 3.077 -14.154 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.590 3.810 -13.039 1.00 0.00 H new ATOM 1006 N ALA A 65 0.360 2.893 -13.245 1.00 0.00 N ATOM 1007 CA ALA A 65 1.720 3.375 -13.060 1.00 0.00 C ATOM 1008 C ALA A 65 2.709 2.220 -13.168 1.00 0.00 C ATOM 1009 O ALA A 65 2.343 1.134 -13.626 1.00 0.00 O ATOM 1010 CB ALA A 65 1.854 4.080 -11.716 1.00 0.00 C ATOM 0 H ALA A 65 -0.038 2.433 -12.426 1.00 0.00 H new ATOM 0 HA ALA A 65 1.948 4.095 -13.846 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.877 4.435 -11.592 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.169 4.927 -11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.612 3.383 -10.914 1.00 0.00 H new ATOM 1016 N ALA A 66 3.954 2.457 -12.766 1.00 0.00 N ATOM 1017 CA ALA A 66 4.985 1.422 -12.782 1.00 0.00 C ATOM 1018 C ALA A 66 4.515 0.171 -12.046 1.00 0.00 C ATOM 1019 O ALA A 66 4.198 0.215 -10.858 1.00 0.00 O ATOM 1020 CB ALA A 66 6.269 1.952 -12.163 1.00 0.00 C ATOM 0 H ALA A 66 4.276 3.362 -12.423 1.00 0.00 H new ATOM 0 HA ALA A 66 5.180 1.149 -13.819 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.030 1.172 -12.180 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.619 2.813 -12.732 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.079 2.251 -11.132 1.00 0.00 H new ATOM 1026 N THR A 67 4.466 -0.943 -12.758 1.00 0.00 N ATOM 1027 CA THR A 67 3.961 -2.179 -12.192 1.00 0.00 C ATOM 1028 C THR A 67 5.044 -2.928 -11.415 1.00 0.00 C ATOM 1029 O THR A 67 4.743 -3.817 -10.618 1.00 0.00 O ATOM 1030 CB THR A 67 3.379 -3.085 -13.291 1.00 0.00 C ATOM 1031 OG1 THR A 67 3.588 -2.484 -14.582 1.00 0.00 O ATOM 1032 CG2 THR A 67 1.892 -3.307 -13.069 1.00 0.00 C ATOM 0 H THR A 67 4.770 -1.015 -13.729 1.00 0.00 H new ATOM 0 HA THR A 67 3.167 -1.914 -11.494 1.00 0.00 H new ATOM 0 HB THR A 67 3.888 -4.048 -13.250 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.217 -3.066 -15.278 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.499 -3.950 -13.856 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.736 -3.782 -12.100 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.374 -2.348 -13.091 1.00 0.00 H new ATOM 1040 N LYS A 68 6.303 -2.555 -11.638 1.00 0.00 N ATOM 1041 CA LYS A 68 7.419 -3.164 -10.918 1.00 0.00 C ATOM 1042 C LYS A 68 7.303 -2.883 -9.426 1.00 0.00 C ATOM 1043 O LYS A 68 7.336 -3.801 -8.606 1.00 0.00 O ATOM 1044 CB LYS A 68 8.756 -2.631 -11.443 1.00 0.00 C ATOM 1045 CG LYS A 68 9.974 -3.283 -10.804 1.00 0.00 C ATOM 1046 CD LYS A 68 11.270 -2.740 -11.388 1.00 0.00 C ATOM 1047 CE LYS A 68 11.542 -1.309 -10.945 1.00 0.00 C ATOM 1048 NZ LYS A 68 11.938 -1.236 -9.513 1.00 0.00 N ATOM 0 H LYS A 68 6.575 -1.837 -12.309 1.00 0.00 H new ATOM 0 HA LYS A 68 7.382 -4.241 -11.082 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.798 -2.784 -12.521 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.800 -1.556 -11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.958 -3.109 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.931 -4.362 -10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.100 -3.377 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.221 -2.779 -12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.333 -0.882 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.650 -0.704 -11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.401 -0.323 -9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.092 -1.324 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.598 -2.010 -9.295 1.00 0.00 H new ATOM 1062 N ILE A 69 7.139 -1.611 -9.085 1.00 0.00 N ATOM 1063 CA ILE A 69 7.030 -1.199 -7.692 1.00 0.00 C ATOM 1064 C ILE A 69 5.749 -1.756 -7.061 1.00 0.00 C ATOM 1065 O ILE A 69 5.685 -1.977 -5.853 1.00 0.00 O ATOM 1066 CB ILE A 69 7.080 0.343 -7.562 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.042 0.779 -6.096 1.00 0.00 C ATOM 1068 CG2 ILE A 69 5.945 0.990 -8.338 1.00 0.00 C ATOM 1069 CD1 ILE A 69 8.240 0.333 -5.286 1.00 0.00 C ATOM 0 H ILE A 69 7.078 -0.845 -9.756 1.00 0.00 H new ATOM 0 HA ILE A 69 7.884 -1.609 -7.152 1.00 0.00 H new ATOM 0 HB ILE A 69 8.025 0.678 -7.989 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.973 1.866 -6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.137 0.384 -5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.002 2.073 -8.231 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.027 0.725 -9.392 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.990 0.637 -7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.135 0.683 -4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.300 -0.755 -5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.149 0.750 -5.720 1.00 0.00 H new ATOM 1081 N LEU A 70 4.747 -2.017 -7.896 1.00 0.00 N ATOM 1082 CA LEU A 70 3.506 -2.631 -7.438 1.00 0.00 C ATOM 1083 C LEU A 70 3.814 -4.014 -6.859 1.00 0.00 C ATOM 1084 O LEU A 70 3.338 -4.378 -5.780 1.00 0.00 O ATOM 1085 CB LEU A 70 2.512 -2.738 -8.605 1.00 0.00 C ATOM 1086 CG LEU A 70 1.023 -2.745 -8.233 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.171 -2.703 -9.490 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.659 -3.967 -7.404 1.00 0.00 C ATOM 0 H LEU A 70 4.771 -1.812 -8.895 1.00 0.00 H new ATOM 0 HA LEU A 70 3.053 -2.014 -6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.691 -1.904 -9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.731 -3.652 -9.158 1.00 0.00 H new ATOM 0 HG LEU A 70 0.828 -1.858 -7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.884 -2.708 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.395 -1.796 -10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.389 -3.575 -10.107 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.403 -3.938 -7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.875 -4.871 -7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.243 -3.970 -6.484 1.00 0.00 H new ATOM 1100 N SER A 71 4.637 -4.770 -7.573 1.00 0.00 N ATOM 1101 CA SER A 71 5.071 -6.076 -7.106 1.00 0.00 C ATOM 1102 C SER A 71 5.951 -5.930 -5.866 1.00 0.00 C ATOM 1103 O SER A 71 5.891 -6.747 -4.946 1.00 0.00 O ATOM 1104 CB SER A 71 5.833 -6.808 -8.210 1.00 0.00 C ATOM 1105 OG SER A 71 5.038 -6.949 -9.378 1.00 0.00 O ATOM 0 H SER A 71 5.017 -4.499 -8.480 1.00 0.00 H new ATOM 0 HA SER A 71 4.190 -6.661 -6.843 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.744 -6.260 -8.451 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.138 -7.792 -7.854 1.00 0.00 H new ATOM 0 HG SER A 71 5.551 -7.419 -10.068 1.00 0.00 H new ATOM 1111 N GLU A 72 6.739 -4.863 -5.837 1.00 0.00 N ATOM 1112 CA GLU A 72 7.664 -4.622 -4.740 1.00 0.00 C ATOM 1113 C GLU A 72 6.929 -4.284 -3.443 1.00 0.00 C ATOM 1114 O GLU A 72 7.486 -4.430 -2.360 1.00 0.00 O ATOM 1115 CB GLU A 72 8.642 -3.504 -5.103 1.00 0.00 C ATOM 1116 CG GLU A 72 9.546 -3.851 -6.275 1.00 0.00 C ATOM 1117 CD GLU A 72 10.602 -2.797 -6.528 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.605 -2.771 -5.782 1.00 0.00 O ATOM 1119 OE2 GLU A 72 10.436 -1.992 -7.468 1.00 0.00 O ATOM 0 H GLU A 72 6.755 -4.148 -6.565 1.00 0.00 H new ATOM 0 HA GLU A 72 8.222 -5.543 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.079 -2.602 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.258 -3.274 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.032 -4.808 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.940 -3.975 -7.172 1.00 0.00 H new ATOM 1126 N VAL A 73 5.702 -3.792 -3.549 1.00 0.00 N ATOM 1127 CA VAL A 73 4.876 -3.554 -2.367 1.00 0.00 C ATOM 1128 C VAL A 73 4.073 -4.806 -1.984 1.00 0.00 C ATOM 1129 O VAL A 73 4.075 -5.227 -0.824 1.00 0.00 O ATOM 1130 CB VAL A 73 3.925 -2.352 -2.563 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.042 -2.155 -1.340 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.724 -1.088 -2.845 1.00 0.00 C ATOM 0 H VAL A 73 5.256 -3.550 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 73 5.558 -3.316 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 73 3.282 -2.561 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.381 -1.303 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.444 -3.051 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.667 -1.969 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.042 -0.249 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.389 -0.883 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.315 -1.226 -3.751 1.00 0.00 H new ATOM 1142 N THR A 74 3.410 -5.406 -2.974 1.00 0.00 N ATOM 1143 CA THR A 74 2.532 -6.561 -2.747 1.00 0.00 C ATOM 1144 C THR A 74 3.233 -7.703 -2.011 1.00 0.00 C ATOM 1145 O THR A 74 2.685 -8.252 -1.053 1.00 0.00 O ATOM 1146 CB THR A 74 1.961 -7.099 -4.076 1.00 0.00 C ATOM 1147 OG1 THR A 74 2.988 -7.149 -5.073 1.00 0.00 O ATOM 1148 CG2 THR A 74 0.815 -6.234 -4.569 1.00 0.00 C ATOM 0 H THR A 74 3.464 -5.110 -3.949 1.00 0.00 H new ATOM 0 HA THR A 74 1.721 -6.196 -2.116 1.00 0.00 H new ATOM 0 HB THR A 74 1.583 -8.105 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.151 -6.247 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.432 -6.637 -5.507 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.018 -6.227 -3.825 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.170 -5.216 -4.729 1.00 0.00 H new ATOM 1156 N ARG A 75 4.435 -8.058 -2.456 1.00 0.00 N ATOM 1157 CA ARG A 75 5.168 -9.179 -1.866 1.00 0.00 C ATOM 1158 C ARG A 75 5.402 -8.977 -0.360 1.00 0.00 C ATOM 1159 O ARG A 75 5.058 -9.857 0.429 1.00 0.00 O ATOM 1160 CB ARG A 75 6.485 -9.441 -2.614 1.00 0.00 C ATOM 1161 CG ARG A 75 6.328 -10.334 -3.842 1.00 0.00 C ATOM 1162 CD ARG A 75 5.399 -9.723 -4.880 1.00 0.00 C ATOM 1163 NE ARG A 75 5.169 -10.613 -6.017 1.00 0.00 N ATOM 1164 CZ ARG A 75 4.212 -10.431 -6.929 1.00 0.00 C ATOM 1165 NH1 ARG A 75 3.371 -9.404 -6.827 1.00 0.00 N ATOM 1166 NH2 ARG A 75 4.086 -11.284 -7.937 1.00 0.00 N ATOM 0 H ARG A 75 4.922 -7.589 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 75 4.547 -10.068 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.913 -8.487 -2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.196 -9.903 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.306 -10.509 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.940 -11.305 -3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.444 -9.482 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.825 -8.785 -5.237 1.00 0.00 H new ATOM 0 HE ARG A 75 5.779 -11.424 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.456 -8.751 -6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.642 -9.271 -7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.721 -12.079 -8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.355 -11.145 -8.634 1.00 0.00 H new ATOM 1180 N PRO A 76 5.982 -7.838 0.078 1.00 0.00 N ATOM 1181 CA PRO A 76 6.121 -7.542 1.509 1.00 0.00 C ATOM 1182 C PRO A 76 4.791 -7.553 2.254 1.00 0.00 C ATOM 1183 O PRO A 76 4.684 -8.149 3.323 1.00 0.00 O ATOM 1184 CB PRO A 76 6.725 -6.138 1.533 1.00 0.00 C ATOM 1185 CG PRO A 76 7.431 -6.012 0.235 1.00 0.00 C ATOM 1186 CD PRO A 76 6.619 -6.800 -0.752 1.00 0.00 C ATOM 0 HA PRO A 76 6.729 -8.296 2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.953 -5.376 1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.411 -6.016 2.371 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.509 -4.968 -0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.447 -6.400 0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.879 -6.176 -1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.246 -7.236 -1.530 1.00 0.00 H new ATOM 1194 N MET A 77 3.778 -6.917 1.674 1.00 0.00 N ATOM 1195 CA MET A 77 2.459 -6.819 2.305 1.00 0.00 C ATOM 1196 C MET A 77 1.820 -8.190 2.494 1.00 0.00 C ATOM 1197 O MET A 77 0.838 -8.331 3.212 1.00 0.00 O ATOM 1198 CB MET A 77 1.530 -5.932 1.477 1.00 0.00 C ATOM 1199 CG MET A 77 1.879 -4.456 1.534 1.00 0.00 C ATOM 1200 SD MET A 77 1.750 -3.778 3.199 1.00 0.00 S ATOM 1201 CE MET A 77 2.122 -2.056 2.888 1.00 0.00 C ATOM 0 H MET A 77 3.842 -6.459 0.765 1.00 0.00 H new ATOM 0 HA MET A 77 2.606 -6.372 3.288 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.558 -6.262 0.439 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.507 -6.067 1.827 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.894 -4.312 1.164 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.216 -3.904 0.868 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.065 -1.497 3.822 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.127 -1.970 2.474 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.401 -1.651 2.178 1.00 0.00 H new ATOM 1211 N SER A 78 2.374 -9.190 1.831 1.00 0.00 N ATOM 1212 CA SER A 78 1.877 -10.552 1.921 1.00 0.00 C ATOM 1213 C SER A 78 2.253 -11.194 3.263 1.00 0.00 C ATOM 1214 O SER A 78 1.701 -12.229 3.648 1.00 0.00 O ATOM 1215 CB SER A 78 2.444 -11.356 0.750 1.00 0.00 C ATOM 1216 OG SER A 78 2.101 -12.730 0.821 1.00 0.00 O ATOM 0 H SER A 78 3.180 -9.081 1.216 1.00 0.00 H new ATOM 0 HA SER A 78 0.788 -10.545 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.073 -10.940 -0.186 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.529 -11.256 0.736 1.00 0.00 H new ATOM 0 HG SER A 78 1.465 -12.946 0.108 1.00 0.00 H new ATOM 1222 N VAL A 79 3.187 -10.582 3.977 1.00 0.00 N ATOM 1223 CA VAL A 79 3.650 -11.117 5.250 1.00 0.00 C ATOM 1224 C VAL A 79 3.762 -9.973 6.268 1.00 0.00 C ATOM 1225 O VAL A 79 3.420 -8.839 5.945 1.00 0.00 O ATOM 1226 CB VAL A 79 5.003 -11.857 5.071 1.00 0.00 C ATOM 1227 CG1 VAL A 79 6.167 -10.884 4.953 1.00 0.00 C ATOM 1228 CG2 VAL A 79 5.234 -12.866 6.185 1.00 0.00 C ATOM 0 H VAL A 79 3.640 -9.713 3.696 1.00 0.00 H new ATOM 0 HA VAL A 79 2.931 -11.846 5.624 1.00 0.00 H new ATOM 0 HB VAL A 79 4.948 -12.408 4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.096 -11.441 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.014 -10.237 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.226 -10.276 5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.190 -13.367 6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.246 -12.351 7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.432 -13.605 6.179 1.00 0.00 H new ATOM 1238 N HIS A 80 4.212 -10.268 7.494 1.00 0.00 N ATOM 1239 CA HIS A 80 4.328 -9.240 8.532 1.00 0.00 C ATOM 1240 C HIS A 80 5.205 -8.090 8.044 1.00 0.00 C ATOM 1241 O HIS A 80 4.734 -6.963 7.926 1.00 0.00 O ATOM 1242 CB HIS A 80 4.900 -9.828 9.828 1.00 0.00 C ATOM 1243 CG HIS A 80 4.882 -8.867 10.983 1.00 0.00 C ATOM 1244 ND1 HIS A 80 5.920 -8.005 11.268 1.00 0.00 N ATOM 1245 CD2 HIS A 80 3.935 -8.634 11.925 1.00 0.00 C ATOM 1246 CE1 HIS A 80 5.611 -7.284 12.331 1.00 0.00 C ATOM 1247 NE2 HIS A 80 4.414 -7.645 12.748 1.00 0.00 N ATOM 0 H HIS A 80 4.499 -11.201 7.788 1.00 0.00 H new ATOM 0 HA HIS A 80 3.329 -8.859 8.743 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.329 -10.717 10.097 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.926 -10.150 9.650 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.981 -9.133 12.012 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.234 -6.526 12.782 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.923 -7.253 13.552 1.00 0.00 H new ATOM 1256 N MET A 81 6.477 -8.386 7.798 1.00 0.00 N ATOM 1257 CA MET A 81 7.380 -7.469 7.097 1.00 0.00 C ATOM 1258 C MET A 81 7.708 -6.181 7.871 1.00 0.00 C ATOM 1259 O MET A 81 6.911 -5.649 8.644 1.00 0.00 O ATOM 1260 CB MET A 81 6.797 -7.113 5.722 1.00 0.00 C ATOM 1261 CG MET A 81 7.573 -7.699 4.552 1.00 0.00 C ATOM 1262 SD MET A 81 9.046 -6.743 4.133 1.00 0.00 S ATOM 1263 CE MET A 81 9.705 -7.695 2.769 1.00 0.00 C ATOM 0 H MET A 81 6.914 -9.265 8.076 1.00 0.00 H new ATOM 0 HA MET A 81 8.324 -8.004 6.993 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.766 -7.464 5.674 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.769 -6.028 5.620 1.00 0.00 H new ATOM 0 HG2 MET A 81 7.866 -8.721 4.793 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.921 -7.752 3.680 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.950 -7.027 1.944 1.00 0.00 H new ATOM 0 HE2 MET A 81 10.605 -8.218 3.092 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.962 -8.421 2.439 1.00 0.00 H new ATOM 1273 N PRO A 82 8.948 -5.716 7.663 1.00 0.00 N ATOM 1274 CA PRO A 82 9.467 -4.392 8.036 1.00 0.00 C ATOM 1275 C PRO A 82 8.557 -3.174 7.800 1.00 0.00 C ATOM 1276 O PRO A 82 9.002 -2.079 8.061 1.00 0.00 O ATOM 1277 CB PRO A 82 10.716 -4.256 7.176 1.00 0.00 C ATOM 1278 CG PRO A 82 11.238 -5.638 7.073 1.00 0.00 C ATOM 1279 CD PRO A 82 10.036 -6.541 7.088 1.00 0.00 C ATOM 0 HA PRO A 82 9.605 -4.370 9.117 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.481 -3.845 6.194 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.445 -3.588 7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.813 -5.770 6.156 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.906 -5.865 7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.785 -6.882 6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.218 -7.431 7.690 1.00 0.00 H new ATOM 1287 N ALA A 83 7.324 -3.364 7.285 1.00 0.00 N ATOM 1288 CA ALA A 83 6.512 -2.314 6.606 1.00 0.00 C ATOM 1289 C ALA A 83 6.635 -0.895 7.179 1.00 0.00 C ATOM 1290 O ALA A 83 6.572 0.067 6.414 1.00 0.00 O ATOM 1291 CB ALA A 83 5.041 -2.715 6.613 1.00 0.00 C ATOM 0 H ALA A 83 6.850 -4.266 7.327 1.00 0.00 H new ATOM 0 HA ALA A 83 6.923 -2.262 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.452 -1.945 6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.919 -3.662 6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.699 -2.826 7.642 1.00 0.00 H new ATOM 1297 N MET A 84 6.802 -0.749 8.483 1.00 0.00 N ATOM 1298 CA MET A 84 7.117 0.557 9.067 1.00 0.00 C ATOM 1299 C MET A 84 8.381 1.122 8.409 1.00 0.00 C ATOM 1300 O MET A 84 8.376 2.198 7.806 1.00 0.00 O ATOM 1301 CB MET A 84 7.360 0.433 10.577 1.00 0.00 C ATOM 1302 CG MET A 84 6.228 -0.212 11.366 1.00 0.00 C ATOM 1303 SD MET A 84 5.986 -1.965 10.983 1.00 0.00 S ATOM 1304 CE MET A 84 7.663 -2.590 11.115 1.00 0.00 C ATOM 0 H MET A 84 6.727 -1.509 9.159 1.00 0.00 H new ATOM 0 HA MET A 84 6.271 1.222 8.895 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.269 -0.148 10.736 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.543 1.428 10.982 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.432 -0.106 12.431 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.302 0.327 11.164 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.660 -3.671 10.975 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.285 -2.126 10.350 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.063 -2.353 12.101 1.00 0.00 H new ATOM 1314 N LYS A 85 9.443 0.337 8.491 1.00 0.00 N ATOM 1315 CA LYS A 85 10.740 0.681 7.929 1.00 0.00 C ATOM 1316 C LYS A 85 10.682 0.679 6.413 1.00 0.00 C ATOM 1317 O LYS A 85 11.536 1.265 5.756 1.00 0.00 O ATOM 1318 CB LYS A 85 11.791 -0.330 8.376 1.00 0.00 C ATOM 1319 CG LYS A 85 11.754 -0.630 9.857 1.00 0.00 C ATOM 1320 CD LYS A 85 12.666 -1.794 10.200 1.00 0.00 C ATOM 1321 CE LYS A 85 12.728 -2.041 11.697 1.00 0.00 C ATOM 1322 NZ LYS A 85 13.486 -0.979 12.411 1.00 0.00 N ATOM 0 H LYS A 85 9.429 -0.570 8.957 1.00 0.00 H new ATOM 0 HA LYS A 85 11.006 1.677 8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.648 -1.258 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.780 0.048 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.059 0.253 10.418 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.733 -0.862 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.311 -2.694 9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.669 -1.593 9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.715 -2.094 12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.196 -3.008 11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.604 -1.248 13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.421 -0.864 11.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.963 -0.082 12.354 1.00 0.00 H new ATOM 1336 N ILE A 86 9.683 0.006 5.854 1.00 0.00 N ATOM 1337 CA ILE A 86 9.539 -0.046 4.410 1.00 0.00 C ATOM 1338 C ILE A 86 9.345 1.358 3.854 1.00 0.00 C ATOM 1339 O ILE A 86 9.773 1.660 2.746 1.00 0.00 O ATOM 1340 CB ILE A 86 8.386 -0.978 3.955 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.760 -2.437 4.232 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.063 -0.781 2.477 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.763 -3.442 3.692 1.00 0.00 C ATOM 0 H ILE A 86 8.970 -0.505 6.374 1.00 0.00 H new ATOM 0 HA ILE A 86 10.459 -0.472 4.010 1.00 0.00 H new ATOM 0 HB ILE A 86 7.493 -0.722 4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.738 -2.640 3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.856 -2.579 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.251 -1.449 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.761 0.252 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.946 -1.005 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.099 -4.451 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.788 -3.268 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.683 -3.330 2.611 1.00 0.00 H new ATOM 1355 N CYS A 87 8.751 2.232 4.650 1.00 0.00 N ATOM 1356 CA CYS A 87 8.590 3.617 4.244 1.00 0.00 C ATOM 1357 C CYS A 87 9.931 4.328 4.278 1.00 0.00 C ATOM 1358 O CYS A 87 10.227 5.179 3.441 1.00 0.00 O ATOM 1359 CB CYS A 87 7.594 4.323 5.156 1.00 0.00 C ATOM 1360 SG CYS A 87 7.156 6.009 4.634 1.00 0.00 S ATOM 0 H CYS A 87 8.376 2.010 5.572 1.00 0.00 H new ATOM 0 HA CYS A 87 8.205 3.642 3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.684 3.725 5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 87 8.009 4.364 6.163 1.00 0.00 H new ATOM 1365 N GLU A 88 10.750 3.933 5.233 1.00 0.00 N ATOM 1366 CA GLU A 88 12.071 4.502 5.405 1.00 0.00 C ATOM 1367 C GLU A 88 12.985 4.096 4.257 1.00 0.00 C ATOM 1368 O GLU A 88 13.762 4.907 3.754 1.00 0.00 O ATOM 1369 CB GLU A 88 12.643 4.022 6.725 1.00 0.00 C ATOM 1370 CG GLU A 88 11.892 4.540 7.938 1.00 0.00 C ATOM 1371 CD GLU A 88 12.488 4.049 9.237 1.00 0.00 C ATOM 1372 OE1 GLU A 88 12.203 2.899 9.630 1.00 0.00 O ATOM 1373 OE2 GLU A 88 13.252 4.805 9.870 1.00 0.00 O ATOM 0 H GLU A 88 10.518 3.208 5.912 1.00 0.00 H new ATOM 0 HA GLU A 88 11.998 5.590 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.633 2.932 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.686 4.333 6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.898 5.630 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.850 4.226 7.878 1.00 0.00 H new ATOM 1380 N LYS A 89 12.888 2.835 3.845 1.00 0.00 N ATOM 1381 CA LYS A 89 13.679 2.346 2.726 1.00 0.00 C ATOM 1382 C LYS A 89 13.101 2.839 1.401 1.00 0.00 C ATOM 1383 O LYS A 89 13.827 3.023 0.426 1.00 0.00 O ATOM 1384 CB LYS A 89 13.787 0.825 2.747 1.00 0.00 C ATOM 1385 CG LYS A 89 12.450 0.160 2.720 1.00 0.00 C ATOM 1386 CD LYS A 89 12.535 -1.357 2.867 1.00 0.00 C ATOM 1387 CE LYS A 89 12.753 -1.800 4.313 1.00 0.00 C ATOM 1388 NZ LYS A 89 14.110 -1.465 4.825 1.00 0.00 N ATOM 0 H LYS A 89 12.273 2.139 4.268 1.00 0.00 H new ATOM 0 HA LYS A 89 14.688 2.747 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.373 0.493 1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.327 0.514 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.834 0.563 3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.949 0.401 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.617 -1.806 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.351 -1.732 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.004 -1.328 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.599 -2.877 4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.403 -2.178 5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.786 -1.455 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.090 -0.528 5.275 1.00 0.00 H new ATOM 1402 N LEU A 90 11.790 3.075 1.382 1.00 0.00 N ATOM 1403 CA LEU A 90 11.126 3.628 0.206 1.00 0.00 C ATOM 1404 C LEU A 90 11.563 5.062 -0.042 1.00 0.00 C ATOM 1405 O LEU A 90 11.570 5.526 -1.180 1.00 0.00 O ATOM 1406 CB LEU A 90 9.605 3.569 0.356 1.00 0.00 C ATOM 1407 CG LEU A 90 8.942 2.383 -0.340 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.450 2.365 -0.059 1.00 0.00 C ATOM 1409 CD2 LEU A 90 9.205 2.454 -1.836 1.00 0.00 C ATOM 0 H LEU A 90 11.168 2.891 2.169 1.00 0.00 H new ATOM 0 HA LEU A 90 11.417 3.020 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.359 3.534 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.178 4.490 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 90 9.369 1.459 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.995 1.513 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.283 2.283 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.999 3.287 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.730 1.606 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.794 3.382 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.279 2.425 -2.018 1.00 0.00 H new ATOM 1421 N LYS A 91 11.939 5.754 1.027 1.00 0.00 N ATOM 1422 CA LYS A 91 12.456 7.115 0.920 1.00 0.00 C ATOM 1423 C LYS A 91 13.725 7.152 0.072 1.00 0.00 C ATOM 1424 O LYS A 91 14.088 8.192 -0.481 1.00 0.00 O ATOM 1425 CB LYS A 91 12.755 7.686 2.309 1.00 0.00 C ATOM 1426 CG LYS A 91 11.520 8.024 3.125 1.00 0.00 C ATOM 1427 CD LYS A 91 11.861 8.194 4.598 1.00 0.00 C ATOM 1428 CE LYS A 91 12.893 9.290 4.831 1.00 0.00 C ATOM 1429 NZ LYS A 91 12.330 10.650 4.642 1.00 0.00 N ATOM 0 H LYS A 91 11.896 5.395 1.981 1.00 0.00 H new ATOM 0 HA LYS A 91 11.692 7.724 0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.356 6.965 2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.359 8.586 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.070 8.941 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.778 7.234 3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.953 8.429 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.241 7.251 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.290 9.202 5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.730 9.148 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.986 11.355 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.194 10.831 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.415 10.718 5.131 1.00 0.00 H new ATOM 1443 N LYS A 92 14.399 6.013 -0.023 1.00 0.00 N ATOM 1444 CA LYS A 92 15.620 5.905 -0.809 1.00 0.00 C ATOM 1445 C LYS A 92 15.287 5.771 -2.292 1.00 0.00 C ATOM 1446 O LYS A 92 16.160 5.904 -3.154 1.00 0.00 O ATOM 1447 CB LYS A 92 16.459 4.721 -0.328 1.00 0.00 C ATOM 1448 CG LYS A 92 16.892 4.838 1.128 1.00 0.00 C ATOM 1449 CD LYS A 92 17.742 6.078 1.358 1.00 0.00 C ATOM 1450 CE LYS A 92 18.020 6.298 2.837 1.00 0.00 C ATOM 1451 NZ LYS A 92 18.859 7.503 3.069 1.00 0.00 N ATOM 0 H LYS A 92 14.118 5.147 0.437 1.00 0.00 H new ATOM 0 HA LYS A 92 16.206 6.814 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.885 3.803 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.345 4.634 -0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.011 4.875 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.457 3.950 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.685 5.979 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.232 6.950 0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.076 6.404 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 92 18.522 5.421 3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 19.026 7.619 4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 19.770 7.391 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.369 8.343 2.701 1.00 0.00 H new ATOM 1465 N LEU A 93 14.023 5.489 -2.578 1.00 0.00 N ATOM 1466 CA LEU A 93 13.528 5.454 -3.947 1.00 0.00 C ATOM 1467 C LEU A 93 12.797 6.754 -4.261 1.00 0.00 C ATOM 1468 O LEU A 93 13.060 7.399 -5.276 1.00 0.00 O ATOM 1469 CB LEU A 93 12.589 4.265 -4.172 1.00 0.00 C ATOM 1470 CG LEU A 93 13.256 2.887 -4.229 1.00 0.00 C ATOM 1471 CD1 LEU A 93 13.655 2.405 -2.842 1.00 0.00 C ATOM 1472 CD2 LEU A 93 12.330 1.888 -4.900 1.00 0.00 C ATOM 0 H LEU A 93 13.316 5.279 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 93 14.383 5.340 -4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.848 4.256 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.049 4.425 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 93 14.168 2.975 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.125 1.425 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.358 3.111 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.768 2.334 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.813 0.911 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.402 1.814 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.109 2.221 -5.914 1.00 0.00 H new ATOM 1484 N ASP A 94 11.888 7.135 -3.373 1.00 0.00 N ATOM 1485 CA ASP A 94 11.137 8.373 -3.518 1.00 0.00 C ATOM 1486 C ASP A 94 10.942 9.025 -2.153 1.00 0.00 C ATOM 1487 O ASP A 94 10.337 8.440 -1.255 1.00 0.00 O ATOM 1488 CB ASP A 94 9.779 8.107 -4.171 1.00 0.00 C ATOM 1489 CG ASP A 94 9.005 9.383 -4.439 1.00 0.00 C ATOM 1490 OD1 ASP A 94 8.415 9.935 -3.494 1.00 0.00 O ATOM 1491 OD2 ASP A 94 8.994 9.841 -5.603 1.00 0.00 O ATOM 0 H ASP A 94 11.652 6.598 -2.538 1.00 0.00 H new ATOM 0 HA ASP A 94 11.702 9.049 -4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.929 7.573 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.189 7.457 -3.525 1.00 0.00 H new ATOM 1496 N SER A 95 11.469 10.229 -1.997 1.00 0.00 N ATOM 1497 CA SER A 95 11.394 10.935 -0.726 1.00 0.00 C ATOM 1498 C SER A 95 10.085 11.716 -0.586 1.00 0.00 C ATOM 1499 O SER A 95 9.703 12.115 0.518 1.00 0.00 O ATOM 1500 CB SER A 95 12.598 11.867 -0.580 1.00 0.00 C ATOM 1501 OG SER A 95 12.841 12.591 -1.778 1.00 0.00 O ATOM 0 H SER A 95 11.954 10.739 -2.735 1.00 0.00 H new ATOM 0 HA SER A 95 11.413 10.195 0.074 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.423 12.564 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.482 11.284 -0.320 1.00 0.00 H new ATOM 0 HG SER A 95 13.615 13.179 -1.654 1.00 0.00 H new ATOM 1507 N GLN A 96 9.387 11.898 -1.701 1.00 0.00 N ATOM 1508 CA GLN A 96 8.147 12.666 -1.720 1.00 0.00 C ATOM 1509 C GLN A 96 7.034 11.899 -1.019 1.00 0.00 C ATOM 1510 O GLN A 96 6.121 12.495 -0.444 1.00 0.00 O ATOM 1511 CB GLN A 96 7.749 12.984 -3.159 1.00 0.00 C ATOM 1512 CG GLN A 96 8.754 13.869 -3.878 1.00 0.00 C ATOM 1513 CD GLN A 96 8.532 13.913 -5.376 1.00 0.00 C ATOM 1514 OE1 GLN A 96 8.799 14.925 -6.027 1.00 0.00 O ATOM 1515 NE2 GLN A 96 8.066 12.807 -5.938 1.00 0.00 N ATOM 0 H GLN A 96 9.661 11.522 -2.609 1.00 0.00 H new ATOM 0 HA GLN A 96 8.308 13.602 -1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.635 12.052 -3.712 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.776 13.476 -3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.693 14.881 -3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.761 13.506 -3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.858 11.991 -5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.916 12.772 -6.946 1.00 0.00 H new ATOM 1524 N ILE A 97 7.124 10.572 -1.083 1.00 0.00 N ATOM 1525 CA ILE A 97 6.234 9.681 -0.339 1.00 0.00 C ATOM 1526 C ILE A 97 6.183 10.070 1.138 1.00 0.00 C ATOM 1527 O ILE A 97 5.122 10.064 1.770 1.00 0.00 O ATOM 1528 CB ILE A 97 6.715 8.213 -0.445 1.00 0.00 C ATOM 1529 CG1 ILE A 97 6.591 7.709 -1.882 1.00 0.00 C ATOM 1530 CG2 ILE A 97 5.932 7.313 0.501 1.00 0.00 C ATOM 1531 CD1 ILE A 97 7.205 6.343 -2.104 1.00 0.00 C ATOM 0 H ILE A 97 7.816 10.084 -1.652 1.00 0.00 H new ATOM 0 HA ILE A 97 5.240 9.776 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 97 7.765 8.182 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.536 7.672 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.068 8.425 -2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 97 6.289 6.288 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.073 7.654 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.873 7.353 0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.078 6.052 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.268 6.378 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.712 5.614 -1.461 1.00 0.00 H new ATOM 1543 N CYS A 98 7.341 10.423 1.669 1.00 0.00 N ATOM 1544 CA CYS A 98 7.480 10.716 3.082 1.00 0.00 C ATOM 1545 C CYS A 98 6.808 12.035 3.444 1.00 0.00 C ATOM 1546 O CYS A 98 5.968 12.090 4.347 1.00 0.00 O ATOM 1547 CB CYS A 98 8.961 10.772 3.453 1.00 0.00 C ATOM 1548 SG CYS A 98 9.277 10.954 5.236 1.00 0.00 S ATOM 0 H CYS A 98 8.205 10.514 1.135 1.00 0.00 H new ATOM 0 HA CYS A 98 6.989 9.921 3.643 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.447 9.862 3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 98 9.425 11.606 2.926 1.00 0.00 H new ATOM 1553 N GLU A 99 7.154 13.086 2.714 1.00 0.00 N ATOM 1554 CA GLU A 99 6.724 14.431 3.063 1.00 0.00 C ATOM 1555 C GLU A 99 5.489 14.852 2.272 1.00 0.00 C ATOM 1556 O GLU A 99 5.343 16.019 1.900 1.00 0.00 O ATOM 1557 CB GLU A 99 7.865 15.421 2.821 1.00 0.00 C ATOM 1558 CG GLU A 99 9.097 15.142 3.668 1.00 0.00 C ATOM 1559 CD GLU A 99 8.841 15.340 5.148 1.00 0.00 C ATOM 1560 OE1 GLU A 99 8.174 14.488 5.764 1.00 0.00 O ATOM 1561 OE2 GLU A 99 9.300 16.360 5.702 1.00 0.00 O ATOM 0 H GLU A 99 7.732 13.032 1.875 1.00 0.00 H new ATOM 0 HA GLU A 99 6.456 14.433 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.143 15.392 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.511 16.430 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.429 14.119 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.908 15.799 3.352 1.00 0.00 H new ATOM 1568 N LEU A 100 4.591 13.908 2.026 1.00 0.00 N ATOM 1569 CA LEU A 100 3.329 14.209 1.353 1.00 0.00 C ATOM 1570 C LEU A 100 2.310 14.698 2.379 1.00 0.00 C ATOM 1571 O LEU A 100 1.123 14.388 2.290 1.00 0.00 O ATOM 1572 CB LEU A 100 2.788 12.961 0.650 1.00 0.00 C ATOM 1573 CG LEU A 100 1.787 13.226 -0.479 1.00 0.00 C ATOM 1574 CD1 LEU A 100 2.497 13.713 -1.731 1.00 0.00 C ATOM 1575 CD2 LEU A 100 0.980 11.975 -0.777 1.00 0.00 C ATOM 0 H LEU A 100 4.710 12.928 2.281 1.00 0.00 H new ATOM 0 HA LEU A 100 3.503 14.985 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.629 12.400 0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.310 12.324 1.394 1.00 0.00 H new ATOM 0 HG LEU A 100 1.104 14.010 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.764 13.894 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.029 14.638 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.208 12.956 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.274 12.181 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.652 11.172 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.434 11.673 0.117 1.00 0.00 H new ATOM 1587 N LYS A 101 2.798 15.465 3.350 1.00 0.00 N ATOM 1588 CA LYS A 101 2.008 15.887 4.503 1.00 0.00 C ATOM 1589 C LYS A 101 0.712 16.570 4.077 1.00 0.00 C ATOM 1590 O LYS A 101 0.664 17.276 3.062 1.00 0.00 O ATOM 1591 CB LYS A 101 2.840 16.823 5.381 1.00 0.00 C ATOM 1592 CG LYS A 101 4.127 16.193 5.886 1.00 0.00 C ATOM 1593 CD LYS A 101 3.854 14.935 6.691 1.00 0.00 C ATOM 1594 CE LYS A 101 5.143 14.250 7.107 1.00 0.00 C ATOM 1595 NZ LYS A 101 5.981 15.115 7.978 1.00 0.00 N ATOM 0 H LYS A 101 3.757 15.813 3.359 1.00 0.00 H new ATOM 0 HA LYS A 101 1.736 14.999 5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.083 17.721 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.239 17.138 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.771 15.952 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.667 16.911 6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.273 15.188 7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.250 14.247 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.908 13.325 7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.710 13.975 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.280 14.577 8.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.820 15.429 7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.430 15.944 8.277 1.00 0.00 H new ATOM 1609 N TYR A 102 -0.331 16.356 4.871 1.00 0.00 N ATOM 1610 CA TYR A 102 -1.669 16.818 4.533 1.00 0.00 C ATOM 1611 C TYR A 102 -1.726 18.334 4.449 1.00 0.00 C ATOM 1612 O TYR A 102 -1.537 19.033 5.443 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.686 16.297 5.551 1.00 0.00 C ATOM 1614 CG TYR A 102 -2.775 14.787 5.577 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.313 14.092 4.504 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.302 14.057 6.660 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.380 12.714 4.510 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.360 12.678 6.669 1.00 0.00 C ATOM 1619 CZ TYR A 102 -2.902 12.013 5.592 1.00 0.00 C ATOM 1620 OH TYR A 102 -2.951 10.644 5.588 1.00 0.00 O ATOM 0 H TYR A 102 -0.273 15.861 5.761 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.923 16.421 3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.415 16.657 6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.668 16.710 5.319 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.685 14.638 3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.882 14.577 7.509 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.806 12.188 3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.983 12.124 7.516 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.765 10.347 5.130 1.00 0.00 H new ATOM 1630 N GLU A 103 -1.975 18.818 3.235 1.00 0.00 N ATOM 1631 CA GLU A 103 -2.070 20.245 2.945 1.00 0.00 C ATOM 1632 C GLU A 103 -0.789 20.981 3.325 1.00 0.00 C ATOM 1633 O GLU A 103 -0.817 22.126 3.785 1.00 0.00 O ATOM 1634 CB GLU A 103 -3.290 20.865 3.631 1.00 0.00 C ATOM 1635 CG GLU A 103 -4.597 20.194 3.233 1.00 0.00 C ATOM 1636 CD GLU A 103 -4.687 19.941 1.739 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -5.112 20.848 0.997 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -4.325 18.823 1.296 1.00 0.00 O ATOM 0 H GLU A 103 -2.118 18.225 2.418 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.200 20.354 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.167 20.797 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.341 21.925 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.693 19.248 3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.433 20.821 3.544 1.00 0.00 H new ATOM 1645 N LYS A 104 0.336 20.308 3.130 1.00 0.00 N ATOM 1646 CA LYS A 104 1.639 20.932 3.272 1.00 0.00 C ATOM 1647 C LYS A 104 2.023 21.564 1.940 1.00 0.00 C ATOM 1648 O LYS A 104 2.866 21.053 1.204 1.00 0.00 O ATOM 1649 CB LYS A 104 2.673 19.890 3.710 1.00 0.00 C ATOM 1650 CG LYS A 104 4.079 20.437 3.927 1.00 0.00 C ATOM 1651 CD LYS A 104 4.112 21.496 5.016 1.00 0.00 C ATOM 1652 CE LYS A 104 3.574 20.966 6.335 1.00 0.00 C ATOM 1653 NZ LYS A 104 3.570 22.013 7.386 1.00 0.00 N ATOM 0 H LYS A 104 0.369 19.322 2.871 1.00 0.00 H new ATOM 0 HA LYS A 104 1.606 21.707 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.332 19.427 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.717 19.103 2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.749 19.620 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.451 20.863 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.136 21.843 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.523 22.358 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.561 20.591 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.182 20.123 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.197 21.615 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.541 22.353 7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.970 22.807 7.083 1.00 0.00 H new ATOM 1667 N THR A 105 1.361 22.662 1.628 1.00 0.00 N ATOM 1668 CA THR A 105 1.497 23.305 0.339 1.00 0.00 C ATOM 1669 C THR A 105 0.827 24.674 0.381 1.00 0.00 C ATOM 1670 O THR A 105 1.407 25.641 -0.154 1.00 0.00 O ATOM 1671 CB THR A 105 0.885 22.426 -0.782 1.00 0.00 C ATOM 1672 OG1 THR A 105 0.950 23.092 -2.051 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.557 22.055 -0.464 1.00 0.00 C ATOM 1674 OXT THR A 105 -0.256 24.785 0.995 1.00 0.00 O ATOM 0 H THR A 105 0.715 23.132 2.262 1.00 0.00 H new ATOM 0 HA THR A 105 2.556 23.434 0.116 1.00 0.00 H new ATOM 0 HB THR A 105 1.474 21.511 -0.837 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.560 22.518 -2.742 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.960 21.439 -1.268 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.591 21.498 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.154 22.962 -0.369 1.00 0.00 H new TER 1682 THR A 105