USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 36 GLN :FLIP amide:sc= -2.08 F(o=-7.1!,f=-2.2) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -0.134 F(o=-5.9!,f=-2.2) USER MOD Set 2.1: A 11 SER OG : rot 180:sc= -1.7 USER MOD Set 2.2: A 111 SER OG : rot -161:sc= 0.00322 USER MOD Single : A 1 ALA N :NH3+ -166:sc= -0.219 (180deg=-0.475) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.07! USER MOD Single : A 6 THR OG1 : rot -99:sc= 0.168 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 71:sc= 1.48 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -15.3! C(o=-15!,f=-22!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -160:sc= 0 USER MOD Single : A 54 SER OG : rot 21:sc= 0.488 USER MOD Single : A 56 THR OG1 : rot 180:sc= -3.97! USER MOD Single : A 60 ASN : amide:sc= -0.224 K(o=-0.22,f=-2!) USER MOD Single : A 62 SER OG : rot 41:sc= 0.681 USER MOD Single : A 64 SER OG : rot 52:sc= 0.602 USER MOD Single : A 65 THR OG1 : rot -130:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 30:sc= -0.955 USER MOD Single : A 72 SER OG : rot -121:sc= 0.03 USER MOD Single : A 81 THR OG1 : rot 68:sc= -0.419! USER MOD Single : A 85 THR OG1 : rot -110:sc= -2.4! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -84:sc= -6.58! USER MOD Single : A 103 ASN :FLIP amide:sc= -1.01 F(o=-2.2!,f=-1) USER MOD Single : A 113 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.19) USER MOD Single : A 130 NCZ O2 : rot 172:sc= 1 USER MOD Single : A 130 NCZ O5 : rot 180:sc= 0 USER MOD Single : A 130 NCZ O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.696 -6.463 12.555 1.00 0.00 N ATOM 2 CA ALA A 1 -13.100 -6.090 12.568 1.00 0.00 C ATOM 3 C ALA A 1 -13.429 -5.313 11.292 1.00 0.00 C ATOM 4 O ALA A 1 -13.936 -5.886 10.326 1.00 0.00 O ATOM 5 CB ALA A 1 -13.403 -5.285 13.832 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.521 -7.182 13.286 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.448 -6.851 11.622 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.112 -5.624 12.747 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.732 -6.978 12.587 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.456 -5.005 13.841 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.180 -5.890 14.711 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.788 -4.385 13.846 1.00 0.00 H new ATOM 11 N ALA A 2 -13.128 -4.024 11.325 1.00 0.00 N ATOM 12 CA ALA A 2 -13.386 -3.164 10.183 1.00 0.00 C ATOM 13 C ALA A 2 -12.220 -2.187 10.014 1.00 0.00 C ATOM 14 O ALA A 2 -12.423 -0.973 9.983 1.00 0.00 O ATOM 15 CB ALA A 2 -14.724 -2.448 10.373 1.00 0.00 C ATOM 0 H ALA A 2 -12.707 -3.553 12.126 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.460 -3.752 9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.917 -1.803 9.516 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.522 -3.185 10.459 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.688 -1.845 11.280 1.00 0.00 H new ATOM 21 N PRO A 3 -10.995 -2.766 9.906 1.00 0.00 N ATOM 22 CA PRO A 3 -9.798 -1.958 9.738 1.00 0.00 C ATOM 23 C PRO A 3 -9.701 -1.407 8.315 1.00 0.00 C ATOM 24 O PRO A 3 -8.692 -1.598 7.639 1.00 0.00 O ATOM 25 CB PRO A 3 -8.647 -2.885 10.096 1.00 0.00 C ATOM 26 CG PRO A 3 -9.201 -4.297 9.998 1.00 0.00 C ATOM 27 CD PRO A 3 -10.718 -4.198 9.936 1.00 0.00 C ATOM 0 HA PRO A 3 -9.795 -1.073 10.375 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.808 -2.747 9.414 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.278 -2.679 11.101 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.814 -4.798 9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.892 -4.889 10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.111 -4.696 9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.181 -4.673 10.801 1.00 0.00 H new ATOM 35 N THR A 4 -10.764 -0.733 7.903 1.00 0.00 N ATOM 36 CA THR A 4 -10.812 -0.151 6.572 1.00 0.00 C ATOM 37 C THR A 4 -10.231 -1.124 5.544 1.00 0.00 C ATOM 38 O THR A 4 -10.687 -2.261 5.434 1.00 0.00 O ATOM 39 CB THR A 4 -10.083 1.195 6.617 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.711 0.838 6.771 1.00 0.00 O ATOM 41 CG2 THR A 4 -10.405 1.993 7.880 1.00 0.00 C ATOM 0 H THR A 4 -11.599 -0.577 8.467 1.00 0.00 H new ATOM 0 HA THR A 4 -11.839 0.031 6.256 1.00 0.00 H new ATOM 0 HB THR A 4 -10.350 1.784 5.739 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.164 1.650 6.808 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.862 2.938 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.476 2.190 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.106 1.420 8.758 1.00 0.00 H new ATOM 49 N ALA A 5 -9.233 -0.642 4.819 1.00 0.00 N ATOM 50 CA ALA A 5 -8.586 -1.454 3.803 1.00 0.00 C ATOM 51 C ALA A 5 -7.409 -2.205 4.432 1.00 0.00 C ATOM 52 O ALA A 5 -6.476 -1.587 4.942 1.00 0.00 O ATOM 53 CB ALA A 5 -8.153 -0.565 2.636 1.00 0.00 C ATOM 0 H ALA A 5 -8.856 0.301 4.915 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.279 -2.196 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.668 -1.175 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.028 -0.077 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.455 0.191 2.994 1.00 0.00 H new ATOM 59 N THR A 6 -7.493 -3.526 4.372 1.00 0.00 N ATOM 60 CA THR A 6 -6.447 -4.367 4.929 1.00 0.00 C ATOM 61 C THR A 6 -6.284 -5.638 4.093 1.00 0.00 C ATOM 62 O THR A 6 -7.263 -6.174 3.577 1.00 0.00 O ATOM 63 CB THR A 6 -6.791 -4.641 6.394 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.205 -4.484 6.455 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.254 -3.560 7.333 1.00 0.00 C ATOM 0 H THR A 6 -8.268 -4.034 3.947 1.00 0.00 H new ATOM 0 HA THR A 6 -5.478 -3.869 4.897 1.00 0.00 H new ATOM 0 HB THR A 6 -6.386 -5.610 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.421 -3.594 6.804 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.526 -3.803 8.360 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.169 -3.510 7.247 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.684 -2.596 7.062 1.00 0.00 H new ATOM 73 N VAL A 7 -5.042 -6.085 3.989 1.00 0.00 N ATOM 74 CA VAL A 7 -4.739 -7.284 3.226 1.00 0.00 C ATOM 75 C VAL A 7 -5.140 -8.516 4.040 1.00 0.00 C ATOM 76 O VAL A 7 -4.974 -8.539 5.258 1.00 0.00 O ATOM 77 CB VAL A 7 -3.263 -7.288 2.821 1.00 0.00 C ATOM 78 CG1 VAL A 7 -3.055 -8.058 1.517 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.721 -5.862 2.709 1.00 0.00 C ATOM 0 H VAL A 7 -4.233 -5.638 4.421 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.315 -7.304 2.301 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.702 -7.798 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.998 -8.046 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.384 -9.089 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.634 -7.589 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.670 -5.894 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.288 -5.315 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.818 -5.359 3.671 1.00 0.00 H new ATOM 89 N THR A 8 -5.657 -9.508 3.333 1.00 0.00 N ATOM 90 CA THR A 8 -6.083 -10.741 3.976 1.00 0.00 C ATOM 91 C THR A 8 -5.155 -11.085 5.142 1.00 0.00 C ATOM 92 O THR A 8 -5.610 -11.285 6.266 1.00 0.00 O ATOM 93 CB THR A 8 -6.145 -11.834 2.906 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.540 -12.065 2.727 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.607 -13.175 3.407 1.00 0.00 C ATOM 0 H THR A 8 -5.791 -9.485 2.322 1.00 0.00 H new ATOM 0 HA THR A 8 -7.076 -10.636 4.414 1.00 0.00 H new ATOM 0 HB THR A 8 -5.576 -11.519 2.032 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.672 -12.759 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.674 -13.915 2.609 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.566 -13.060 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.197 -13.508 4.261 1.00 0.00 H new ATOM 103 N PRO A 9 -3.834 -11.142 4.824 1.00 0.00 N ATOM 104 CA PRO A 9 -2.835 -11.458 5.831 1.00 0.00 C ATOM 105 C PRO A 9 -2.595 -10.263 6.758 1.00 0.00 C ATOM 106 O PRO A 9 -3.394 -9.330 6.792 1.00 0.00 O ATOM 107 CB PRO A 9 -1.596 -11.858 5.047 1.00 0.00 C ATOM 108 CG PRO A 9 -1.796 -11.310 3.645 1.00 0.00 C ATOM 109 CD PRO A 9 -3.256 -10.912 3.503 1.00 0.00 C ATOM 0 HA PRO A 9 -3.148 -12.265 6.494 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.696 -11.446 5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.478 -12.941 5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.148 -10.450 3.475 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.531 -12.061 2.900 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.355 -9.868 3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.757 -11.510 2.742 1.00 0.00 H new ATOM 117 N SER A 10 -1.491 -10.334 7.487 1.00 0.00 N ATOM 118 CA SER A 10 -1.136 -9.271 8.411 1.00 0.00 C ATOM 119 C SER A 10 0.386 -9.203 8.571 1.00 0.00 C ATOM 120 O SER A 10 1.001 -8.184 8.255 1.00 0.00 O ATOM 121 CB SER A 10 -1.804 -9.476 9.772 1.00 0.00 C ATOM 122 OG SER A 10 -1.976 -8.248 10.473 1.00 0.00 O ATOM 0 H SER A 10 -0.831 -11.111 7.456 1.00 0.00 H new ATOM 0 HA SER A 10 -1.495 -8.327 8.000 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.774 -9.952 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.200 -10.155 10.374 1.00 0.00 H new ATOM 0 HG SER A 10 -2.407 -8.421 11.336 1.00 0.00 H new ATOM 128 N SER A 11 0.946 -10.298 9.061 1.00 0.00 N ATOM 129 CA SER A 11 2.381 -10.376 9.267 1.00 0.00 C ATOM 130 C SER A 11 2.919 -11.702 8.724 1.00 0.00 C ATOM 131 O SER A 11 2.155 -12.642 8.509 1.00 0.00 O ATOM 132 CB SER A 11 2.735 -10.226 10.749 1.00 0.00 C ATOM 133 OG SER A 11 4.136 -10.340 10.977 1.00 0.00 O ATOM 0 H SER A 11 0.431 -11.139 9.322 1.00 0.00 H new ATOM 0 HA SER A 11 2.848 -9.554 8.725 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.387 -9.258 11.109 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.211 -10.988 11.326 1.00 0.00 H new ATOM 0 HG SER A 11 4.321 -10.237 11.934 1.00 0.00 H new ATOM 139 N GLY A 12 4.225 -11.735 8.518 1.00 0.00 N ATOM 140 CA GLY A 12 4.872 -12.931 8.003 1.00 0.00 C ATOM 141 C GLY A 12 4.684 -13.050 6.490 1.00 0.00 C ATOM 142 O GLY A 12 4.723 -14.148 5.941 1.00 0.00 O ATOM 0 H GLY A 12 4.855 -10.953 8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.936 -12.903 8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.459 -13.812 8.494 1.00 0.00 H new ATOM 146 N LEU A 13 4.480 -11.902 5.860 1.00 0.00 N ATOM 147 CA LEU A 13 4.285 -11.862 4.422 1.00 0.00 C ATOM 148 C LEU A 13 5.635 -12.019 3.721 1.00 0.00 C ATOM 149 O LEU A 13 6.675 -12.072 4.377 1.00 0.00 O ATOM 150 CB LEU A 13 3.524 -10.598 4.016 1.00 0.00 C ATOM 151 CG LEU A 13 2.260 -10.288 4.820 1.00 0.00 C ATOM 152 CD1 LEU A 13 2.546 -9.262 5.919 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.121 -9.843 3.901 1.00 0.00 C ATOM 0 H LEU A 13 4.446 -10.992 6.320 1.00 0.00 H new ATOM 0 HA LEU A 13 3.661 -12.697 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.201 -9.748 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.250 -10.685 2.965 1.00 0.00 H new ATOM 0 HG LEU A 13 1.936 -11.204 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.631 -9.060 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.303 -9.656 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.909 -8.338 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.234 -9.629 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.420 -8.945 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.896 -10.637 3.189 1.00 0.00 H new ATOM 165 N SER A 14 5.579 -12.089 2.399 1.00 0.00 N ATOM 166 CA SER A 14 6.784 -12.237 1.605 1.00 0.00 C ATOM 167 C SER A 14 6.775 -11.237 0.446 1.00 0.00 C ATOM 168 O SER A 14 5.720 -10.734 0.065 1.00 0.00 O ATOM 169 CB SER A 14 6.922 -13.665 1.072 1.00 0.00 C ATOM 170 OG SER A 14 8.284 -14.030 0.867 1.00 0.00 O ATOM 0 H SER A 14 4.715 -12.046 1.858 1.00 0.00 H new ATOM 0 HA SER A 14 7.642 -12.033 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.462 -14.360 1.775 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.377 -13.755 0.132 1.00 0.00 H new ATOM 0 HG SER A 14 8.329 -14.949 0.528 1.00 0.00 H new ATOM 176 N ASP A 15 7.963 -10.978 -0.077 1.00 0.00 N ATOM 177 CA ASP A 15 8.106 -10.046 -1.185 1.00 0.00 C ATOM 178 C ASP A 15 7.414 -10.622 -2.422 1.00 0.00 C ATOM 179 O ASP A 15 8.054 -10.841 -3.448 1.00 0.00 O ATOM 180 CB ASP A 15 9.579 -9.819 -1.529 1.00 0.00 C ATOM 181 CG ASP A 15 9.829 -9.103 -2.857 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.213 -8.034 -3.050 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.635 -9.640 -3.650 1.00 0.00 O ATOM 0 H ASP A 15 8.836 -11.396 0.244 1.00 0.00 H new ATOM 0 HA ASP A 15 7.656 -9.098 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.038 -9.239 -0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.084 -10.785 -1.553 1.00 0.00 H new ATOM 189 N GLY A 16 6.117 -10.849 -2.284 1.00 0.00 N ATOM 190 CA GLY A 16 5.331 -11.396 -3.376 1.00 0.00 C ATOM 191 C GLY A 16 4.049 -12.050 -2.858 1.00 0.00 C ATOM 192 O GLY A 16 3.573 -13.031 -3.430 1.00 0.00 O ATOM 0 H GLY A 16 5.590 -10.664 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.079 -10.603 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.923 -12.131 -3.922 1.00 0.00 H new ATOM 196 N THR A 17 3.526 -11.482 -1.782 1.00 0.00 N ATOM 197 CA THR A 17 2.309 -11.997 -1.180 1.00 0.00 C ATOM 198 C THR A 17 1.083 -11.294 -1.768 1.00 0.00 C ATOM 199 O THR A 17 0.778 -10.161 -1.401 1.00 0.00 O ATOM 200 CB THR A 17 2.428 -11.842 0.337 1.00 0.00 C ATOM 201 OG1 THR A 17 3.716 -12.372 0.640 1.00 0.00 O ATOM 202 CG2 THR A 17 1.461 -12.751 1.099 1.00 0.00 C ATOM 0 H THR A 17 3.923 -10.669 -1.311 1.00 0.00 H new ATOM 0 HA THR A 17 2.176 -13.056 -1.403 1.00 0.00 H new ATOM 0 HB THR A 17 2.239 -10.804 0.611 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.407 -11.758 0.314 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.588 -12.600 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.436 -12.509 0.818 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.669 -13.792 0.852 1.00 0.00 H new ATOM 210 N VAL A 18 0.415 -11.997 -2.670 1.00 0.00 N ATOM 211 CA VAL A 18 -0.770 -11.455 -3.313 1.00 0.00 C ATOM 212 C VAL A 18 -2.017 -12.083 -2.688 1.00 0.00 C ATOM 213 O VAL A 18 -2.110 -13.305 -2.573 1.00 0.00 O ATOM 214 CB VAL A 18 -0.688 -11.668 -4.827 1.00 0.00 C ATOM 215 CG1 VAL A 18 -0.523 -13.151 -5.162 1.00 0.00 C ATOM 216 CG2 VAL A 18 -1.913 -11.079 -5.530 1.00 0.00 C ATOM 0 H VAL A 18 0.672 -12.937 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.833 -10.379 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 18 0.193 -11.142 -5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.467 -13.276 -6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.392 -13.527 -4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.377 -13.708 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.830 -11.244 -6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.815 -11.564 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.968 -10.009 -5.330 1.00 0.00 H new ATOM 226 N VAL A 19 -2.944 -11.219 -2.299 1.00 0.00 N ATOM 227 CA VAL A 19 -4.183 -11.675 -1.689 1.00 0.00 C ATOM 228 C VAL A 19 -5.290 -10.661 -1.978 1.00 0.00 C ATOM 229 O VAL A 19 -5.212 -9.911 -2.949 1.00 0.00 O ATOM 230 CB VAL A 19 -3.968 -11.917 -0.193 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.928 -13.015 0.042 1.00 0.00 C ATOM 232 CG2 VAL A 19 -3.571 -10.624 0.521 1.00 0.00 C ATOM 0 H VAL A 19 -2.862 -10.207 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.495 -12.627 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.914 -12.256 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.795 -13.167 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.269 -13.943 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.978 -12.718 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.425 -10.825 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.644 -10.242 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.361 -9.883 0.397 1.00 0.00 H new ATOM 242 N LYS A 20 -6.298 -10.673 -1.118 1.00 0.00 N ATOM 243 CA LYS A 20 -7.422 -9.765 -1.269 1.00 0.00 C ATOM 244 C LYS A 20 -7.453 -8.797 -0.085 1.00 0.00 C ATOM 245 O LYS A 20 -7.317 -9.212 1.065 1.00 0.00 O ATOM 246 CB LYS A 20 -8.724 -10.548 -1.457 1.00 0.00 C ATOM 247 CG LYS A 20 -9.169 -11.194 -0.142 1.00 0.00 C ATOM 248 CD LYS A 20 -10.551 -11.832 -0.288 1.00 0.00 C ATOM 249 CE LYS A 20 -11.233 -11.978 1.075 1.00 0.00 C ATOM 250 NZ LYS A 20 -11.513 -13.402 1.363 1.00 0.00 N ATOM 0 H LYS A 20 -6.360 -11.298 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.306 -9.164 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.505 -9.880 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.583 -11.318 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.445 -11.951 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.192 -10.443 0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.170 -11.221 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.456 -12.811 -0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.595 -11.562 1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.162 -11.409 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.976 -13.484 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.140 -13.788 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.621 -13.936 1.373 1.00 0.00 H new ATOM 264 N VAL A 21 -7.632 -7.525 -0.407 1.00 0.00 N ATOM 265 CA VAL A 21 -7.682 -6.494 0.618 1.00 0.00 C ATOM 266 C VAL A 21 -9.124 -6.008 0.775 1.00 0.00 C ATOM 267 O VAL A 21 -9.685 -5.409 -0.141 1.00 0.00 O ATOM 268 CB VAL A 21 -6.706 -5.368 0.273 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.603 -4.361 1.422 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.328 -5.928 -0.091 1.00 0.00 C ATOM 0 H VAL A 21 -7.744 -7.184 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.368 -6.896 1.581 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.095 -4.843 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.903 -3.571 1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.584 -3.927 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.249 -4.868 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.653 -5.106 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.929 -6.490 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.420 -6.587 -0.954 1.00 0.00 H new ATOM 280 N ALA A 22 -9.685 -6.283 1.943 1.00 0.00 N ATOM 281 CA ALA A 22 -11.050 -5.882 2.234 1.00 0.00 C ATOM 282 C ALA A 22 -11.049 -4.466 2.812 1.00 0.00 C ATOM 283 O ALA A 22 -10.228 -4.142 3.670 1.00 0.00 O ATOM 284 CB ALA A 22 -11.691 -6.897 3.182 1.00 0.00 C ATOM 0 H ALA A 22 -9.217 -6.780 2.701 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.647 -5.866 1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.715 -6.595 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.695 -7.881 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.120 -6.939 4.110 1.00 0.00 H new ATOM 290 N GLY A 23 -11.976 -3.658 2.316 1.00 0.00 N ATOM 291 CA GLY A 23 -12.092 -2.283 2.773 1.00 0.00 C ATOM 292 C GLY A 23 -13.338 -2.097 3.641 1.00 0.00 C ATOM 293 O GLY A 23 -14.361 -1.602 3.170 1.00 0.00 O ATOM 0 H GLY A 23 -12.653 -3.929 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.204 -2.009 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.139 -1.613 1.914 1.00 0.00 H new ATOM 297 N ALA A 24 -13.210 -2.503 4.897 1.00 0.00 N ATOM 298 CA ALA A 24 -14.314 -2.389 5.835 1.00 0.00 C ATOM 299 C ALA A 24 -14.447 -0.931 6.280 1.00 0.00 C ATOM 300 O ALA A 24 -13.799 -0.507 7.236 1.00 0.00 O ATOM 301 CB ALA A 24 -14.084 -3.338 7.013 1.00 0.00 C ATOM 0 H ALA A 24 -12.360 -2.911 5.286 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.252 -2.679 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.912 -3.252 7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.023 -4.363 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.153 -3.076 7.515 1.00 0.00 H new ATOM 307 N GLY A 25 -15.294 -0.203 5.566 1.00 0.00 N ATOM 308 CA GLY A 25 -15.523 1.198 5.878 1.00 0.00 C ATOM 309 C GLY A 25 -14.569 2.097 5.087 1.00 0.00 C ATOM 310 O GLY A 25 -14.139 3.138 5.581 1.00 0.00 O ATOM 0 H GLY A 25 -15.829 -0.557 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.555 1.462 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.384 1.364 6.946 1.00 0.00 H new ATOM 314 N LEU A 26 -14.266 1.661 3.873 1.00 0.00 N ATOM 315 CA LEU A 26 -13.370 2.413 3.009 1.00 0.00 C ATOM 316 C LEU A 26 -14.171 3.474 2.253 1.00 0.00 C ATOM 317 O LEU A 26 -15.113 4.051 2.795 1.00 0.00 O ATOM 318 CB LEU A 26 -12.588 1.466 2.097 1.00 0.00 C ATOM 319 CG LEU A 26 -11.086 1.741 1.978 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.828 3.099 1.321 1.00 0.00 C ATOM 321 CD2 LEU A 26 -10.396 1.621 3.337 1.00 0.00 C ATOM 0 H LEU A 26 -14.625 0.797 3.467 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.621 2.940 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.724 0.448 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.026 1.509 1.100 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.650 0.981 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.754 3.270 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.265 3.109 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.281 3.887 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.331 1.821 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.829 2.343 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.536 0.613 3.728 1.00 0.00 H new ATOM 333 N GLN A 27 -13.769 3.699 1.011 1.00 0.00 N ATOM 334 CA GLN A 27 -14.437 4.682 0.174 1.00 0.00 C ATOM 335 C GLN A 27 -15.866 4.232 -0.136 1.00 0.00 C ATOM 336 O GLN A 27 -16.138 3.714 -1.217 1.00 0.00 O ATOM 337 CB GLN A 27 -13.649 4.930 -1.115 1.00 0.00 C ATOM 338 CG GLN A 27 -12.657 6.081 -0.938 1.00 0.00 C ATOM 339 CD GLN A 27 -11.577 5.722 0.084 1.00 0.00 C ATOM 340 OE1 GLN A 27 -10.545 5.159 -0.239 1.00 0.00 O ATOM 341 NE2 GLN A 27 -11.871 6.080 1.331 1.00 0.00 N ATOM 0 H GLN A 27 -12.989 3.218 0.564 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.484 5.624 0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.113 4.024 -1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.338 5.160 -1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.193 6.316 -1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.187 6.976 -0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.754 6.549 1.532 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.213 5.886 2.086 1.00 0.00 H new ATOM 350 N ALA A 28 -16.743 4.442 0.836 1.00 0.00 N ATOM 351 CA ALA A 28 -18.136 4.066 0.682 1.00 0.00 C ATOM 352 C ALA A 28 -18.731 4.806 -0.517 1.00 0.00 C ATOM 353 O ALA A 28 -19.231 5.922 -0.377 1.00 0.00 O ATOM 354 CB ALA A 28 -18.891 4.357 1.981 1.00 0.00 C ATOM 0 H ALA A 28 -16.514 4.868 1.734 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.225 2.997 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.937 4.074 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.448 3.783 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.826 5.421 2.209 1.00 0.00 H new ATOM 360 N GLY A 29 -18.657 4.158 -1.671 1.00 0.00 N ATOM 361 CA GLY A 29 -19.182 4.740 -2.893 1.00 0.00 C ATOM 362 C GLY A 29 -18.066 5.395 -3.711 1.00 0.00 C ATOM 363 O GLY A 29 -18.227 5.633 -4.906 1.00 0.00 O ATOM 0 H GLY A 29 -18.240 3.234 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.669 3.968 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.943 5.482 -2.649 1.00 0.00 H new ATOM 367 N THR A 30 -16.961 5.666 -3.034 1.00 0.00 N ATOM 368 CA THR A 30 -15.818 6.289 -3.682 1.00 0.00 C ATOM 369 C THR A 30 -14.872 5.223 -4.230 1.00 0.00 C ATOM 370 O THR A 30 -15.134 4.026 -4.101 1.00 0.00 O ATOM 371 CB THR A 30 -15.157 7.229 -2.673 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.891 7.020 -1.469 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.394 8.704 -3.003 1.00 0.00 C ATOM 0 H THR A 30 -16.832 5.466 -2.042 1.00 0.00 H new ATOM 0 HA THR A 30 -16.125 6.880 -4.545 1.00 0.00 H new ATOM 0 HB THR A 30 -14.085 7.032 -2.643 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.527 7.591 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.903 9.327 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.983 8.927 -3.988 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.464 8.910 -3.001 1.00 0.00 H new ATOM 381 N ALA A 31 -13.788 5.691 -4.834 1.00 0.00 N ATOM 382 CA ALA A 31 -12.799 4.791 -5.403 1.00 0.00 C ATOM 383 C ALA A 31 -11.495 5.555 -5.634 1.00 0.00 C ATOM 384 O ALA A 31 -11.469 6.534 -6.380 1.00 0.00 O ATOM 385 CB ALA A 31 -13.351 4.174 -6.690 1.00 0.00 C ATOM 0 H ALA A 31 -13.574 6.682 -4.941 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.584 3.972 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.609 3.499 -7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.261 3.618 -6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.576 4.965 -7.405 1.00 0.00 H new ATOM 391 N TYR A 32 -10.444 5.079 -4.985 1.00 0.00 N ATOM 392 CA TYR A 32 -9.138 5.707 -5.111 1.00 0.00 C ATOM 393 C TYR A 32 -8.121 4.736 -5.712 1.00 0.00 C ATOM 394 O TYR A 32 -8.468 3.903 -6.548 1.00 0.00 O ATOM 395 CB TYR A 32 -8.704 6.067 -3.687 1.00 0.00 C ATOM 396 CG TYR A 32 -9.666 7.012 -2.964 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.574 7.756 -3.688 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.621 7.120 -1.590 1.00 0.00 C ATOM 399 CE1 TYR A 32 -11.479 8.646 -3.007 1.00 0.00 C ATOM 400 CE2 TYR A 32 -10.526 8.009 -0.909 1.00 0.00 C ATOM 401 CZ TYR A 32 -11.409 8.728 -1.650 1.00 0.00 C ATOM 402 OH TYR A 32 -12.264 9.569 -1.007 1.00 0.00 O ATOM 0 H TYR A 32 -10.469 4.266 -4.370 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.191 6.578 -5.764 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.606 5.150 -3.105 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.717 6.528 -3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.606 7.671 -4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.908 6.538 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.196 9.234 -3.560 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.503 8.102 0.167 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.102 9.525 -0.041 1.00 0.00 H new ATOM 412 N ASP A 33 -6.881 4.873 -5.263 1.00 0.00 N ATOM 413 CA ASP A 33 -5.809 4.020 -5.746 1.00 0.00 C ATOM 414 C ASP A 33 -5.176 3.285 -4.562 1.00 0.00 C ATOM 415 O ASP A 33 -4.667 3.914 -3.636 1.00 0.00 O ATOM 416 CB ASP A 33 -4.717 4.840 -6.431 1.00 0.00 C ATOM 417 CG ASP A 33 -3.668 4.021 -7.186 1.00 0.00 C ATOM 418 OD1 ASP A 33 -2.825 3.408 -6.497 1.00 0.00 O ATOM 419 OD2 ASP A 33 -3.731 4.028 -8.434 1.00 0.00 O ATOM 0 H ASP A 33 -6.595 5.563 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.235 3.318 -6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.188 5.531 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.211 5.444 -5.678 1.00 0.00 H new ATOM 425 N VAL A 34 -5.228 1.962 -4.633 1.00 0.00 N ATOM 426 CA VAL A 34 -4.666 1.135 -3.578 1.00 0.00 C ATOM 427 C VAL A 34 -3.201 0.832 -3.901 1.00 0.00 C ATOM 428 O VAL A 34 -2.834 0.696 -5.068 1.00 0.00 O ATOM 429 CB VAL A 34 -5.513 -0.126 -3.395 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.642 -1.382 -3.452 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.308 -0.068 -2.090 1.00 0.00 C ATOM 0 H VAL A 34 -5.650 1.443 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.686 1.664 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.226 -0.174 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.267 -2.265 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.141 -1.434 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.896 -1.344 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.901 -0.976 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.620 0.016 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.970 0.798 -2.105 1.00 0.00 H new ATOM 441 N GLY A 35 -2.405 0.732 -2.848 1.00 0.00 N ATOM 442 CA GLY A 35 -0.989 0.448 -3.003 1.00 0.00 C ATOM 443 C GLY A 35 -0.257 0.552 -1.664 1.00 0.00 C ATOM 444 O GLY A 35 -0.758 1.169 -0.727 1.00 0.00 O ATOM 0 H GLY A 35 -2.714 0.843 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.859 -0.552 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.551 1.146 -3.716 1.00 0.00 H new ATOM 448 N GLN A 36 0.916 -0.063 -1.618 1.00 0.00 N ATOM 449 CA GLN A 36 1.722 -0.046 -0.409 1.00 0.00 C ATOM 450 C GLN A 36 2.719 1.116 -0.451 1.00 0.00 C ATOM 451 O GLN A 36 3.757 1.023 -1.101 1.00 0.00 O ATOM 452 CB GLN A 36 2.445 -1.379 -0.214 1.00 0.00 C ATOM 453 CG GLN A 36 3.589 -1.537 -1.218 1.00 0.00 C ATOM 454 CD GLN A 36 3.646 -2.964 -1.767 1.00 0.00 C ATOM 455 OE1 GLN A 36 4.121 -3.048 -3.006 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 3.282 -3.925 -1.108 1.00 0.00 N flip ATOM 0 H GLN A 36 1.327 -0.576 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 36 1.059 0.100 0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.837 -1.438 0.801 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.738 -2.200 -0.331 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.456 -0.833 -2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.536 -1.291 -0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.927 -3.789 -0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.333 -4.864 -1.504 1.00 0.00 H new ATOM 465 N CYS A 37 2.365 2.181 0.251 1.00 0.00 N ATOM 466 CA CYS A 37 3.213 3.360 0.304 1.00 0.00 C ATOM 467 C CYS A 37 3.868 3.420 1.685 1.00 0.00 C ATOM 468 O CYS A 37 3.283 2.976 2.673 1.00 0.00 O ATOM 469 CB CYS A 37 2.430 4.636 -0.015 1.00 0.00 C ATOM 470 SG CYS A 37 3.436 6.000 -0.704 1.00 0.00 S ATOM 0 H CYS A 37 1.501 2.253 0.789 1.00 0.00 H new ATOM 0 HA CYS A 37 3.987 3.289 -0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.639 4.393 -0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.945 4.985 0.896 1.00 0.00 H new ATOM 475 N ALA A 38 5.072 3.974 1.711 1.00 0.00 N ATOM 476 CA ALA A 38 5.811 4.098 2.955 1.00 0.00 C ATOM 477 C ALA A 38 7.123 4.841 2.693 1.00 0.00 C ATOM 478 O ALA A 38 7.543 4.980 1.545 1.00 0.00 O ATOM 479 CB ALA A 38 6.037 2.710 3.556 1.00 0.00 C ATOM 0 H ALA A 38 5.553 4.342 0.890 1.00 0.00 H new ATOM 0 HA ALA A 38 5.243 4.679 3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.592 2.804 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.075 2.237 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.606 2.099 2.856 1.00 0.00 H new ATOM 485 N TRP A 39 7.733 5.299 3.775 1.00 0.00 N ATOM 486 CA TRP A 39 8.988 6.023 3.676 1.00 0.00 C ATOM 487 C TRP A 39 10.069 5.038 3.226 1.00 0.00 C ATOM 488 O TRP A 39 10.357 4.067 3.923 1.00 0.00 O ATOM 489 CB TRP A 39 9.325 6.720 4.997 1.00 0.00 C ATOM 490 CG TRP A 39 8.101 7.218 5.767 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.315 6.524 6.603 1.00 0.00 C ATOM 492 CD2 TRP A 39 7.552 8.552 5.741 1.00 0.00 C ATOM 493 NE1 TRP A 39 6.304 7.313 7.114 1.00 0.00 N ATOM 494 CE2 TRP A 39 6.454 8.585 6.574 1.00 0.00 C ATOM 495 CE3 TRP A 39 7.973 9.695 5.038 1.00 0.00 C ATOM 496 CZ2 TRP A 39 5.681 9.733 6.781 1.00 0.00 C ATOM 497 CZ3 TRP A 39 7.191 10.835 5.255 1.00 0.00 C ATOM 498 CH2 TRP A 39 6.081 10.884 6.091 1.00 0.00 C ATOM 0 H TRP A 39 7.381 5.183 4.725 1.00 0.00 H new ATOM 0 HA TRP A 39 8.916 6.821 2.937 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.883 6.029 5.629 1.00 0.00 H new ATOM 0 HB3 TRP A 39 9.982 7.566 4.793 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.455 5.481 6.846 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.580 7.017 7.768 1.00 0.00 H new ATOM 0 HE3 TRP A 39 8.832 9.693 4.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.823 9.731 7.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.469 11.741 4.737 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.530 11.805 6.208 1.00 0.00 H new ATOM 509 N VAL A 40 10.639 5.325 2.064 1.00 0.00 N ATOM 510 CA VAL A 40 11.682 4.476 1.514 1.00 0.00 C ATOM 511 C VAL A 40 13.037 5.168 1.678 1.00 0.00 C ATOM 512 O VAL A 40 14.020 4.531 2.047 1.00 0.00 O ATOM 513 CB VAL A 40 11.360 4.129 0.059 1.00 0.00 C ATOM 514 CG1 VAL A 40 12.188 4.981 -0.904 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.572 2.636 -0.209 1.00 0.00 C ATOM 0 H VAL A 40 10.398 6.133 1.489 1.00 0.00 H new ATOM 0 HA VAL A 40 11.732 3.532 2.056 1.00 0.00 H new ATOM 0 HB VAL A 40 10.308 4.355 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.940 4.714 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.967 6.035 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.249 4.801 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.336 2.416 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.611 2.374 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.920 2.053 0.442 1.00 0.00 H new ATOM 525 N ASP A 41 13.042 6.462 1.394 1.00 0.00 N ATOM 526 CA ASP A 41 14.258 7.247 1.504 1.00 0.00 C ATOM 527 C ASP A 41 14.493 7.613 2.972 1.00 0.00 C ATOM 528 O ASP A 41 14.001 6.933 3.870 1.00 0.00 O ATOM 529 CB ASP A 41 14.152 8.548 0.705 1.00 0.00 C ATOM 530 CG ASP A 41 15.460 9.033 0.080 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.370 9.730 -0.954 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.520 8.697 0.650 1.00 0.00 O ATOM 0 H ASP A 41 12.222 6.986 1.088 1.00 0.00 H new ATOM 0 HA ASP A 41 15.080 6.649 1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.417 8.410 -0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.769 9.329 1.362 1.00 0.00 H new ATOM 538 N THR A 42 15.245 8.686 3.168 1.00 0.00 N ATOM 539 CA THR A 42 15.549 9.151 4.511 1.00 0.00 C ATOM 540 C THR A 42 14.499 10.161 4.976 1.00 0.00 C ATOM 541 O THR A 42 14.780 11.356 5.067 1.00 0.00 O ATOM 542 CB THR A 42 16.973 9.710 4.505 1.00 0.00 C ATOM 543 OG1 THR A 42 17.800 8.555 4.404 1.00 0.00 O ATOM 544 CG2 THR A 42 17.362 10.333 5.849 1.00 0.00 C ATOM 0 H THR A 42 15.653 9.247 2.420 1.00 0.00 H new ATOM 0 HA THR A 42 15.508 8.335 5.232 1.00 0.00 H new ATOM 0 HB THR A 42 17.066 10.458 3.717 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.741 8.827 4.392 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.381 10.715 5.792 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.681 11.151 6.081 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.301 9.577 6.632 1.00 0.00 H new ATOM 552 N GLY A 43 13.313 9.646 5.261 1.00 0.00 N ATOM 553 CA GLY A 43 12.220 10.489 5.716 1.00 0.00 C ATOM 554 C GLY A 43 11.329 10.910 4.546 1.00 0.00 C ATOM 555 O GLY A 43 10.406 11.705 4.718 1.00 0.00 O ATOM 0 H GLY A 43 13.084 8.655 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.626 9.952 6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.620 11.374 6.210 1.00 0.00 H new ATOM 559 N VAL A 44 11.635 10.358 3.381 1.00 0.00 N ATOM 560 CA VAL A 44 10.874 10.666 2.183 1.00 0.00 C ATOM 561 C VAL A 44 9.897 9.523 1.898 1.00 0.00 C ATOM 562 O VAL A 44 10.303 8.370 1.771 1.00 0.00 O ATOM 563 CB VAL A 44 11.823 10.944 1.017 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.132 11.770 -0.070 1.00 0.00 C ATOM 565 CG2 VAL A 44 13.100 11.635 1.501 1.00 0.00 C ATOM 0 H VAL A 44 12.401 9.699 3.242 1.00 0.00 H new ATOM 0 HA VAL A 44 10.284 11.571 2.327 1.00 0.00 H new ATOM 0 HB VAL A 44 12.105 9.986 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.830 11.953 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.267 11.224 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.806 12.722 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.757 11.821 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.844 12.582 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.610 10.995 2.221 1.00 0.00 H new ATOM 575 N LEU A 45 8.625 9.886 1.805 1.00 0.00 N ATOM 576 CA LEU A 45 7.585 8.906 1.538 1.00 0.00 C ATOM 577 C LEU A 45 7.683 8.449 0.082 1.00 0.00 C ATOM 578 O LEU A 45 7.554 9.259 -0.836 1.00 0.00 O ATOM 579 CB LEU A 45 6.213 9.465 1.916 1.00 0.00 C ATOM 580 CG LEU A 45 5.114 8.430 2.170 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.683 8.433 3.639 1.00 0.00 C ATOM 582 CD2 LEU A 45 3.929 8.647 1.227 1.00 0.00 C ATOM 0 H LEU A 45 8.292 10.844 1.910 1.00 0.00 H new ATOM 0 HA LEU A 45 7.726 8.022 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.325 10.074 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.881 10.130 1.119 1.00 0.00 H new ATOM 0 HG LEU A 45 5.522 7.442 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.902 7.688 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.539 8.194 4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.301 9.419 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.162 7.899 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.515 9.643 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.264 8.554 0.194 1.00 0.00 H new ATOM 594 N ALA A 46 7.910 7.156 -0.087 1.00 0.00 N ATOM 595 CA ALA A 46 8.026 6.581 -1.417 1.00 0.00 C ATOM 596 C ALA A 46 7.024 5.435 -1.561 1.00 0.00 C ATOM 597 O ALA A 46 6.933 4.573 -0.690 1.00 0.00 O ATOM 598 CB ALA A 46 9.469 6.132 -1.654 1.00 0.00 C ATOM 0 H ALA A 46 8.017 6.488 0.676 1.00 0.00 H new ATOM 0 HA ALA A 46 7.788 7.322 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.557 5.701 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.136 6.990 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.744 5.385 -0.910 1.00 0.00 H new ATOM 604 N CYS A 47 6.300 5.462 -2.670 1.00 0.00 N ATOM 605 CA CYS A 47 5.307 4.436 -2.941 1.00 0.00 C ATOM 606 C CYS A 47 5.949 3.371 -3.833 1.00 0.00 C ATOM 607 O CYS A 47 6.925 3.647 -4.531 1.00 0.00 O ATOM 608 CB CYS A 47 4.042 5.022 -3.572 1.00 0.00 C ATOM 609 SG CYS A 47 3.283 6.396 -2.630 1.00 0.00 S ATOM 0 H CYS A 47 6.381 6.178 -3.392 1.00 0.00 H new ATOM 0 HA CYS A 47 4.987 3.981 -2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.283 5.376 -4.574 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.306 4.226 -3.684 1.00 0.00 H new ATOM 614 N ASN A 48 5.376 2.176 -3.783 1.00 0.00 N ATOM 615 CA ASN A 48 5.880 1.072 -4.579 1.00 0.00 C ATOM 616 C ASN A 48 5.282 1.146 -5.985 1.00 0.00 C ATOM 617 O ASN A 48 4.284 1.831 -6.203 1.00 0.00 O ATOM 618 CB ASN A 48 5.484 -0.273 -3.966 1.00 0.00 C ATOM 619 CG ASN A 48 6.352 -0.599 -2.749 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.826 0.473 -2.123 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 6.573 -1.747 -2.403 1.00 0.00 N flip ATOM 0 H ASN A 48 4.568 1.950 -3.203 1.00 0.00 H new ATOM 0 HA ASN A 48 6.967 1.148 -4.612 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.435 -0.248 -3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.587 -1.061 -4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.176 -2.524 -2.931 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.155 -1.930 -1.585 1.00 0.00 H new ATOM 628 N PRO A 49 5.932 0.410 -6.926 1.00 0.00 N ATOM 629 CA PRO A 49 5.473 0.386 -8.306 1.00 0.00 C ATOM 630 C PRO A 49 4.217 -0.475 -8.451 1.00 0.00 C ATOM 631 O PRO A 49 3.532 -0.412 -9.470 1.00 0.00 O ATOM 632 CB PRO A 49 6.655 -0.146 -9.102 1.00 0.00 C ATOM 633 CG PRO A 49 7.562 -0.836 -8.094 1.00 0.00 C ATOM 634 CD PRO A 49 7.116 -0.415 -6.703 1.00 0.00 C ATOM 0 HA PRO A 49 5.175 1.370 -8.669 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.325 -0.844 -9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.180 0.663 -9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.501 -1.919 -8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.602 -0.557 -8.262 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.884 -1.281 -6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.898 0.145 -6.189 1.00 0.00 H new ATOM 642 N ALA A 50 3.954 -1.259 -7.417 1.00 0.00 N ATOM 643 CA ALA A 50 2.792 -2.133 -7.417 1.00 0.00 C ATOM 644 C ALA A 50 1.717 -1.545 -6.498 1.00 0.00 C ATOM 645 O ALA A 50 0.754 -2.225 -6.150 1.00 0.00 O ATOM 646 CB ALA A 50 3.211 -3.540 -6.994 1.00 0.00 C ATOM 0 H ALA A 50 4.525 -1.308 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 50 2.368 -2.206 -8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.339 -4.195 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.954 -3.924 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.639 -3.506 -5.992 1.00 0.00 H new ATOM 652 N ASP A 51 1.922 -0.287 -6.133 1.00 0.00 N ATOM 653 CA ASP A 51 0.983 0.400 -5.261 1.00 0.00 C ATOM 654 C ASP A 51 -0.098 1.072 -6.112 1.00 0.00 C ATOM 655 O ASP A 51 -0.856 1.904 -5.617 1.00 0.00 O ATOM 656 CB ASP A 51 1.683 1.487 -4.445 1.00 0.00 C ATOM 657 CG ASP A 51 0.963 2.836 -4.413 1.00 0.00 C ATOM 658 OD1 ASP A 51 1.026 3.538 -5.447 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.368 3.137 -3.355 1.00 0.00 O ATOM 0 H ASP A 51 2.723 0.273 -6.425 1.00 0.00 H new ATOM 0 HA ASP A 51 0.550 -0.337 -4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.802 1.132 -3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.684 1.636 -4.850 1.00 0.00 H new ATOM 665 N PHE A 52 -0.136 0.682 -7.379 1.00 0.00 N ATOM 666 CA PHE A 52 -1.111 1.236 -8.302 1.00 0.00 C ATOM 667 C PHE A 52 -2.206 0.215 -8.620 1.00 0.00 C ATOM 668 O PHE A 52 -2.057 -0.597 -9.531 1.00 0.00 O ATOM 669 CB PHE A 52 -0.362 1.579 -9.590 1.00 0.00 C ATOM 670 CG PHE A 52 0.881 2.446 -9.376 1.00 0.00 C ATOM 671 CD1 PHE A 52 0.889 3.390 -8.397 1.00 0.00 C ATOM 672 CD2 PHE A 52 1.974 2.276 -10.168 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.043 4.194 -8.198 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.127 3.079 -9.968 1.00 0.00 C ATOM 675 CZ PHE A 52 3.137 4.022 -8.987 1.00 0.00 C ATOM 0 H PHE A 52 0.492 -0.010 -7.787 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.585 2.113 -7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.066 0.653 -10.083 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.042 2.097 -10.266 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.019 3.528 -7.772 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.964 1.530 -10.949 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.051 4.942 -7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.996 2.942 -10.594 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.014 4.634 -8.835 1.00 0.00 H new ATOM 685 N SER A 53 -3.282 0.292 -7.851 1.00 0.00 N ATOM 686 CA SER A 53 -4.401 -0.615 -8.038 1.00 0.00 C ATOM 687 C SER A 53 -5.705 0.070 -7.618 1.00 0.00 C ATOM 688 O SER A 53 -6.123 -0.038 -6.467 1.00 0.00 O ATOM 689 CB SER A 53 -4.201 -1.908 -7.244 1.00 0.00 C ATOM 690 OG SER A 53 -5.397 -2.685 -7.178 1.00 0.00 O ATOM 0 H SER A 53 -3.402 0.969 -7.097 1.00 0.00 H new ATOM 0 HA SER A 53 -4.458 -0.875 -9.095 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.410 -2.499 -7.706 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.870 -1.666 -6.234 1.00 0.00 H new ATOM 0 HG SER A 53 -5.337 -3.314 -6.429 1.00 0.00 H new ATOM 696 N SER A 54 -6.310 0.756 -8.576 1.00 0.00 N ATOM 697 CA SER A 54 -7.555 1.457 -8.320 1.00 0.00 C ATOM 698 C SER A 54 -8.425 0.648 -7.354 1.00 0.00 C ATOM 699 O SER A 54 -8.728 -0.516 -7.614 1.00 0.00 O ATOM 700 CB SER A 54 -8.317 1.722 -9.620 1.00 0.00 C ATOM 701 OG SER A 54 -8.808 0.518 -10.207 1.00 0.00 O ATOM 0 H SER A 54 -5.961 0.841 -9.531 1.00 0.00 H new ATOM 0 HA SER A 54 -7.316 2.419 -7.866 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.151 2.394 -9.420 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.661 2.229 -10.328 1.00 0.00 H new ATOM 0 HG SER A 54 -8.857 -0.183 -9.524 1.00 0.00 H new ATOM 707 N VAL A 55 -8.798 1.294 -6.260 1.00 0.00 N ATOM 708 CA VAL A 55 -9.622 0.649 -5.254 1.00 0.00 C ATOM 709 C VAL A 55 -11.006 1.304 -5.239 1.00 0.00 C ATOM 710 O VAL A 55 -11.121 2.522 -5.362 1.00 0.00 O ATOM 711 CB VAL A 55 -8.924 0.698 -3.893 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.487 1.825 -3.028 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.029 -0.649 -3.175 1.00 0.00 C ATOM 0 H VAL A 55 -8.544 2.259 -6.048 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.762 -0.405 -5.494 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.868 0.905 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.973 1.837 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.337 2.780 -3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.553 1.663 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.525 -0.587 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.079 -0.898 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.558 -1.422 -3.782 1.00 0.00 H new ATOM 723 N THR A 56 -12.020 0.466 -5.087 1.00 0.00 N ATOM 724 CA THR A 56 -13.391 0.948 -5.053 1.00 0.00 C ATOM 725 C THR A 56 -14.149 0.319 -3.881 1.00 0.00 C ATOM 726 O THR A 56 -14.191 -0.901 -3.748 1.00 0.00 O ATOM 727 CB THR A 56 -14.026 0.657 -6.414 1.00 0.00 C ATOM 728 OG1 THR A 56 -13.455 1.633 -7.280 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.524 0.968 -6.439 1.00 0.00 C ATOM 0 H THR A 56 -11.920 -0.544 -4.986 1.00 0.00 H new ATOM 0 HA THR A 56 -13.429 2.024 -4.883 1.00 0.00 H new ATOM 0 HB THR A 56 -13.868 -0.390 -6.672 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.811 1.515 -8.185 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.926 0.744 -7.427 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.035 0.359 -5.693 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.680 2.023 -6.214 1.00 0.00 H new ATOM 737 N ALA A 57 -14.731 1.185 -3.064 1.00 0.00 N ATOM 738 CA ALA A 57 -15.485 0.731 -1.906 1.00 0.00 C ATOM 739 C ALA A 57 -16.980 0.921 -2.174 1.00 0.00 C ATOM 740 O ALA A 57 -17.428 2.032 -2.456 1.00 0.00 O ATOM 741 CB ALA A 57 -15.013 1.485 -0.662 1.00 0.00 C ATOM 0 H ALA A 57 -14.696 2.198 -3.180 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.314 -0.330 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.578 1.145 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.952 1.294 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.172 2.554 -0.802 1.00 0.00 H new ATOM 747 N ASP A 58 -17.711 -0.179 -2.072 1.00 0.00 N ATOM 748 CA ASP A 58 -19.146 -0.146 -2.298 1.00 0.00 C ATOM 749 C ASP A 58 -19.784 0.873 -1.351 1.00 0.00 C ATOM 750 O ASP A 58 -19.217 1.196 -0.310 1.00 0.00 O ATOM 751 CB ASP A 58 -19.777 -1.512 -2.019 1.00 0.00 C ATOM 752 CG ASP A 58 -18.864 -2.712 -2.274 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.841 -2.510 -2.962 1.00 0.00 O ATOM 754 OD2 ASP A 58 -19.208 -3.803 -1.774 1.00 0.00 O ATOM 0 H ASP A 58 -17.337 -1.098 -1.836 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.318 0.126 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.104 -1.538 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.669 -1.616 -2.637 1.00 0.00 H new ATOM 760 N ALA A 59 -20.955 1.347 -1.748 1.00 0.00 N ATOM 761 CA ALA A 59 -21.676 2.323 -0.947 1.00 0.00 C ATOM 762 C ALA A 59 -21.630 1.904 0.524 1.00 0.00 C ATOM 763 O ALA A 59 -21.724 2.746 1.416 1.00 0.00 O ATOM 764 CB ALA A 59 -23.108 2.453 -1.469 1.00 0.00 C ATOM 0 H ALA A 59 -21.423 1.074 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.208 3.304 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.649 3.185 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.088 2.780 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.609 1.487 -1.402 1.00 0.00 H new ATOM 770 N ASN A 60 -21.483 0.605 0.733 1.00 0.00 N ATOM 771 CA ASN A 60 -21.420 0.064 2.079 1.00 0.00 C ATOM 772 C ASN A 60 -19.971 0.085 2.567 1.00 0.00 C ATOM 773 O ASN A 60 -19.559 -0.781 3.336 1.00 0.00 O ATOM 774 CB ASN A 60 -21.911 -1.385 2.115 1.00 0.00 C ATOM 775 CG ASN A 60 -22.299 -1.798 3.535 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.491 -0.976 4.418 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.408 -3.112 3.707 1.00 0.00 N ATOM 0 H ASN A 60 -21.406 -0.090 -0.009 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.057 0.676 2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.769 -1.498 1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.130 -2.047 1.741 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.666 -3.487 4.620 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.234 -3.745 2.926 1.00 0.00 H new ATOM 784 N GLY A 61 -19.237 1.085 2.100 1.00 0.00 N ATOM 785 CA GLY A 61 -17.842 1.231 2.477 1.00 0.00 C ATOM 786 C GLY A 61 -17.120 -0.118 2.439 1.00 0.00 C ATOM 787 O GLY A 61 -16.355 -0.442 3.345 1.00 0.00 O ATOM 0 H GLY A 61 -19.583 1.803 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.350 1.930 1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.775 1.656 3.479 1.00 0.00 H new ATOM 791 N SER A 62 -17.390 -0.868 1.380 1.00 0.00 N ATOM 792 CA SER A 62 -16.776 -2.174 1.212 1.00 0.00 C ATOM 793 C SER A 62 -15.852 -2.164 -0.010 1.00 0.00 C ATOM 794 O SER A 62 -16.314 -2.304 -1.140 1.00 0.00 O ATOM 795 CB SER A 62 -17.836 -3.266 1.066 1.00 0.00 C ATOM 796 OG SER A 62 -18.769 -3.253 2.143 1.00 0.00 O ATOM 0 H SER A 62 -18.026 -0.596 0.630 1.00 0.00 H new ATOM 0 HA SER A 62 -16.188 -2.393 2.103 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.368 -3.131 0.124 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.349 -4.240 1.020 1.00 0.00 H new ATOM 0 HG SER A 62 -18.997 -2.327 2.367 1.00 0.00 H new ATOM 802 N ALA A 63 -14.567 -1.995 0.263 1.00 0.00 N ATOM 803 CA ALA A 63 -13.575 -1.965 -0.799 1.00 0.00 C ATOM 804 C ALA A 63 -12.770 -3.264 -0.775 1.00 0.00 C ATOM 805 O ALA A 63 -11.704 -3.327 -0.165 1.00 0.00 O ATOM 806 CB ALA A 63 -12.690 -0.727 -0.637 1.00 0.00 C ATOM 0 H ALA A 63 -14.190 -1.877 1.203 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.058 -1.895 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.946 -0.705 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.306 0.170 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.186 -0.764 0.329 1.00 0.00 H new ATOM 812 N SER A 64 -13.311 -4.270 -1.447 1.00 0.00 N ATOM 813 CA SER A 64 -12.654 -5.567 -1.512 1.00 0.00 C ATOM 814 C SER A 64 -11.779 -5.650 -2.764 1.00 0.00 C ATOM 815 O SER A 64 -12.161 -6.277 -3.751 1.00 0.00 O ATOM 816 CB SER A 64 -13.677 -6.703 -1.502 1.00 0.00 C ATOM 817 OG SER A 64 -14.591 -6.608 -2.592 1.00 0.00 O ATOM 0 H SER A 64 -14.196 -4.214 -1.951 1.00 0.00 H new ATOM 0 HA SER A 64 -12.023 -5.675 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.157 -7.660 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.230 -6.685 -0.563 1.00 0.00 H new ATOM 0 HG SER A 64 -14.092 -6.517 -3.430 1.00 0.00 H new ATOM 823 N THR A 65 -10.625 -5.005 -2.684 1.00 0.00 N ATOM 824 CA THR A 65 -9.694 -4.998 -3.799 1.00 0.00 C ATOM 825 C THR A 65 -8.476 -5.872 -3.484 1.00 0.00 C ATOM 826 O THR A 65 -7.881 -5.750 -2.416 1.00 0.00 O ATOM 827 CB THR A 65 -9.333 -3.544 -4.107 1.00 0.00 C ATOM 828 OG1 THR A 65 -10.543 -2.989 -4.619 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.344 -3.417 -5.266 1.00 0.00 C ATOM 0 H THR A 65 -10.313 -4.484 -1.865 1.00 0.00 H new ATOM 0 HA THR A 65 -10.145 -5.432 -4.691 1.00 0.00 H new ATOM 0 HB THR A 65 -8.908 -3.079 -3.217 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.358 -2.522 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.123 -2.364 -5.442 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.423 -3.945 -5.018 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.780 -3.851 -6.166 1.00 0.00 H new ATOM 837 N SER A 66 -8.144 -6.733 -4.434 1.00 0.00 N ATOM 838 CA SER A 66 -7.011 -7.627 -4.271 1.00 0.00 C ATOM 839 C SER A 66 -5.805 -7.087 -5.043 1.00 0.00 C ATOM 840 O SER A 66 -5.966 -6.444 -6.080 1.00 0.00 O ATOM 841 CB SER A 66 -7.353 -9.042 -4.743 1.00 0.00 C ATOM 842 OG SER A 66 -7.902 -9.051 -6.055 1.00 0.00 O ATOM 0 H SER A 66 -8.640 -6.831 -5.320 1.00 0.00 H new ATOM 0 HA SER A 66 -6.764 -7.677 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.454 -9.658 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.064 -9.493 -4.050 1.00 0.00 H new ATOM 0 HG SER A 66 -8.105 -9.973 -6.319 1.00 0.00 H new ATOM 848 N LEU A 67 -4.626 -7.370 -4.509 1.00 0.00 N ATOM 849 CA LEU A 67 -3.394 -6.922 -5.136 1.00 0.00 C ATOM 850 C LEU A 67 -2.226 -7.762 -4.616 1.00 0.00 C ATOM 851 O LEU A 67 -2.409 -8.611 -3.745 1.00 0.00 O ATOM 852 CB LEU A 67 -3.208 -5.417 -4.933 1.00 0.00 C ATOM 853 CG LEU A 67 -2.750 -4.626 -6.162 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.224 -4.600 -6.261 1.00 0.00 C ATOM 855 CD2 LEU A 67 -3.398 -5.172 -7.436 1.00 0.00 C ATOM 0 H LEU A 67 -4.498 -7.904 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.438 -7.073 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.153 -4.998 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.480 -5.265 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.082 -3.594 -6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.926 -4.032 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.809 -4.130 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.847 -5.620 -6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.057 -4.593 -8.294 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.117 -6.217 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.482 -5.095 -7.354 1.00 0.00 H new ATOM 867 N THR A 68 -1.053 -7.496 -5.170 1.00 0.00 N ATOM 868 CA THR A 68 0.145 -8.217 -4.772 1.00 0.00 C ATOM 869 C THR A 68 0.945 -7.401 -3.756 1.00 0.00 C ATOM 870 O THR A 68 1.298 -6.253 -4.019 1.00 0.00 O ATOM 871 CB THR A 68 0.933 -8.557 -6.038 1.00 0.00 C ATOM 872 OG1 THR A 68 2.088 -9.238 -5.554 1.00 0.00 O ATOM 873 CG2 THR A 68 1.497 -7.313 -6.728 1.00 0.00 C ATOM 0 H THR A 68 -0.906 -6.791 -5.892 1.00 0.00 H new ATOM 0 HA THR A 68 -0.103 -9.150 -4.267 1.00 0.00 H new ATOM 0 HB THR A 68 0.290 -9.097 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.867 -9.708 -4.723 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.047 -7.610 -7.621 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.678 -6.651 -7.010 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.168 -6.791 -6.045 1.00 0.00 H new ATOM 881 N VAL A 69 1.210 -8.026 -2.619 1.00 0.00 N ATOM 882 CA VAL A 69 1.964 -7.372 -1.563 1.00 0.00 C ATOM 883 C VAL A 69 3.458 -7.615 -1.782 1.00 0.00 C ATOM 884 O VAL A 69 4.016 -8.580 -1.264 1.00 0.00 O ATOM 885 CB VAL A 69 1.473 -7.856 -0.195 1.00 0.00 C ATOM 886 CG1 VAL A 69 2.001 -6.955 0.924 1.00 0.00 C ATOM 887 CG2 VAL A 69 -0.053 -7.939 -0.159 1.00 0.00 C ATOM 0 H VAL A 69 0.916 -8.979 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 69 1.804 -6.294 -1.590 1.00 0.00 H new ATOM 0 HB VAL A 69 1.866 -8.860 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.639 -7.319 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.091 -6.968 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.650 -5.935 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.375 -8.285 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.476 -6.953 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.397 -8.638 -0.921 1.00 0.00 H new ATOM 897 N ARG A 70 4.063 -6.722 -2.552 1.00 0.00 N ATOM 898 CA ARG A 70 5.481 -6.827 -2.846 1.00 0.00 C ATOM 899 C ARG A 70 6.275 -5.834 -1.995 1.00 0.00 C ATOM 900 O ARG A 70 5.926 -4.659 -1.919 1.00 0.00 O ATOM 901 CB ARG A 70 5.758 -6.553 -4.325 1.00 0.00 C ATOM 902 CG ARG A 70 4.798 -7.346 -5.218 1.00 0.00 C ATOM 903 CD ARG A 70 5.501 -8.556 -5.837 1.00 0.00 C ATOM 904 NE ARG A 70 4.520 -9.395 -6.561 1.00 0.00 N ATOM 905 CZ ARG A 70 4.152 -9.195 -7.834 1.00 0.00 C ATOM 906 NH1 ARG A 70 4.683 -8.180 -8.531 1.00 0.00 N ATOM 907 NH2 ARG A 70 3.255 -10.006 -8.408 1.00 0.00 N ATOM 0 H ARG A 70 3.596 -5.923 -2.981 1.00 0.00 H new ATOM 0 HA ARG A 70 5.793 -7.844 -2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.652 -5.487 -4.527 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.787 -6.822 -4.562 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.941 -7.679 -4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.413 -6.701 -6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.282 -8.223 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.988 -9.142 -5.058 1.00 0.00 H new ATOM 0 HE ARG A 70 4.097 -10.176 -6.059 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.366 -7.562 -8.092 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.404 -8.026 -9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.851 -10.777 -7.876 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.976 -9.853 -9.377 1.00 0.00 H new ATOM 921 N ARG A 71 7.329 -6.346 -1.375 1.00 0.00 N ATOM 922 CA ARG A 71 8.174 -5.518 -0.531 1.00 0.00 C ATOM 923 C ARG A 71 9.339 -4.949 -1.344 1.00 0.00 C ATOM 924 O ARG A 71 9.701 -3.784 -1.186 1.00 0.00 O ATOM 925 CB ARG A 71 8.729 -6.320 0.649 1.00 0.00 C ATOM 926 CG ARG A 71 9.842 -5.551 1.361 1.00 0.00 C ATOM 927 CD ARG A 71 10.505 -6.414 2.437 1.00 0.00 C ATOM 928 NE ARG A 71 10.627 -7.809 1.963 1.00 0.00 N ATOM 929 CZ ARG A 71 11.652 -8.267 1.233 1.00 0.00 C ATOM 930 NH1 ARG A 71 12.651 -7.444 0.889 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.679 -9.551 0.845 1.00 0.00 N ATOM 0 H ARG A 71 7.616 -7.322 -1.440 1.00 0.00 H new ATOM 0 HA ARG A 71 7.562 -4.703 -0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.926 -6.540 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.113 -7.277 0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.589 -5.231 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.432 -4.649 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.491 -6.016 2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.916 -6.383 3.354 1.00 0.00 H new ATOM 0 HE ARG A 71 9.884 -8.464 2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.632 -6.468 1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.431 -7.794 0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.919 -10.179 1.106 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.460 -9.899 0.289 1.00 0.00 H new ATOM 945 N SER A 72 9.897 -5.800 -2.195 1.00 0.00 N ATOM 946 CA SER A 72 11.014 -5.396 -3.032 1.00 0.00 C ATOM 947 C SER A 72 10.504 -4.623 -4.250 1.00 0.00 C ATOM 948 O SER A 72 9.574 -5.066 -4.925 1.00 0.00 O ATOM 949 CB SER A 72 11.833 -6.608 -3.477 1.00 0.00 C ATOM 950 OG SER A 72 11.623 -6.919 -4.851 1.00 0.00 O ATOM 0 H SER A 72 9.596 -6.766 -2.322 1.00 0.00 H new ATOM 0 HA SER A 72 11.664 -4.747 -2.445 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.892 -6.412 -3.307 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.566 -7.470 -2.865 1.00 0.00 H new ATOM 0 HG SER A 72 11.279 -7.833 -4.931 1.00 0.00 H new ATOM 956 N PHE A 73 11.131 -3.483 -4.493 1.00 0.00 N ATOM 957 CA PHE A 73 10.750 -2.646 -5.619 1.00 0.00 C ATOM 958 C PHE A 73 11.274 -1.219 -5.441 1.00 0.00 C ATOM 959 O PHE A 73 11.774 -0.866 -4.375 1.00 0.00 O ATOM 960 CB PHE A 73 9.222 -2.616 -5.658 1.00 0.00 C ATOM 961 CG PHE A 73 8.608 -3.475 -6.763 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.191 -3.521 -7.992 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.482 -4.197 -6.518 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.622 -4.320 -9.018 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.914 -4.997 -7.546 1.00 0.00 C ATOM 966 CZ PHE A 73 7.497 -5.042 -8.774 1.00 0.00 C ATOM 0 H PHE A 73 11.900 -3.118 -3.931 1.00 0.00 H new ATOM 0 HA PHE A 73 11.171 -3.047 -6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.838 -2.953 -4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.893 -1.585 -5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.087 -2.950 -8.187 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.020 -4.162 -5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.084 -4.354 -9.994 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.019 -5.570 -7.352 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.066 -5.651 -9.555 1.00 0.00 H new ATOM 976 N GLU A 74 11.141 -0.438 -6.503 1.00 0.00 N ATOM 977 CA GLU A 74 11.593 0.943 -6.478 1.00 0.00 C ATOM 978 C GLU A 74 10.521 1.843 -5.862 1.00 0.00 C ATOM 979 O GLU A 74 9.351 1.766 -6.236 1.00 0.00 O ATOM 980 CB GLU A 74 11.971 1.422 -7.881 1.00 0.00 C ATOM 981 CG GLU A 74 12.759 2.731 -7.821 1.00 0.00 C ATOM 982 CD GLU A 74 13.840 2.773 -8.903 1.00 0.00 C ATOM 983 OE1 GLU A 74 13.450 2.776 -10.091 1.00 0.00 O ATOM 984 OE2 GLU A 74 15.028 2.799 -8.519 1.00 0.00 O ATOM 0 H GLU A 74 10.727 -0.735 -7.386 1.00 0.00 H new ATOM 0 HA GLU A 74 12.487 1.000 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.566 0.658 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.069 1.564 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.080 3.574 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.219 2.838 -6.839 1.00 0.00 H new ATOM 992 N GLY A 75 10.956 2.675 -4.926 1.00 0.00 N ATOM 993 CA GLY A 75 10.047 3.587 -4.256 1.00 0.00 C ATOM 994 C GLY A 75 9.789 4.832 -5.108 1.00 0.00 C ATOM 995 O GLY A 75 10.598 5.175 -5.970 1.00 0.00 O ATOM 0 H GLY A 75 11.926 2.736 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.104 3.080 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.466 3.881 -3.294 1.00 0.00 H new ATOM 999 N PHE A 76 8.661 5.472 -4.839 1.00 0.00 N ATOM 1000 CA PHE A 76 8.289 6.670 -5.572 1.00 0.00 C ATOM 1001 C PHE A 76 8.067 7.848 -4.620 1.00 0.00 C ATOM 1002 O PHE A 76 6.994 7.987 -4.037 1.00 0.00 O ATOM 1003 CB PHE A 76 6.976 6.362 -6.293 1.00 0.00 C ATOM 1004 CG PHE A 76 7.152 5.564 -7.588 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.198 5.830 -8.414 1.00 0.00 C ATOM 1006 CD2 PHE A 76 6.260 4.590 -7.912 1.00 0.00 C ATOM 1007 CE1 PHE A 76 8.361 5.090 -9.616 1.00 0.00 C ATOM 1008 CE2 PHE A 76 6.423 3.848 -9.114 1.00 0.00 C ATOM 1009 CZ PHE A 76 7.469 4.116 -9.939 1.00 0.00 C ATOM 0 H PHE A 76 7.993 5.184 -4.124 1.00 0.00 H new ATOM 0 HA PHE A 76 9.083 6.942 -6.268 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.325 5.804 -5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.470 7.300 -6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.906 6.604 -8.157 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.428 4.380 -7.256 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.192 5.301 -10.272 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.717 3.073 -9.371 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.592 3.554 -10.853 1.00 0.00 H new ATOM 1019 N LEU A 77 9.102 8.667 -4.492 1.00 0.00 N ATOM 1020 CA LEU A 77 9.035 9.827 -3.620 1.00 0.00 C ATOM 1021 C LEU A 77 8.268 10.946 -4.328 1.00 0.00 C ATOM 1022 O LEU A 77 7.925 10.822 -5.502 1.00 0.00 O ATOM 1023 CB LEU A 77 10.437 10.237 -3.164 1.00 0.00 C ATOM 1024 CG LEU A 77 11.258 9.150 -2.464 1.00 0.00 C ATOM 1025 CD1 LEU A 77 12.696 9.616 -2.231 1.00 0.00 C ATOM 1026 CD2 LEU A 77 10.582 8.704 -1.167 1.00 0.00 C ATOM 0 H LEU A 77 9.991 8.549 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 77 8.486 9.588 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.995 10.582 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.344 11.087 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 77 11.304 8.280 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.258 8.826 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.164 9.846 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.692 10.509 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.185 7.932 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.486 9.557 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.593 8.305 -1.391 1.00 0.00 H new ATOM 1038 N PHE A 78 8.020 12.013 -3.582 1.00 0.00 N ATOM 1039 CA PHE A 78 7.300 13.152 -4.124 1.00 0.00 C ATOM 1040 C PHE A 78 8.260 14.153 -4.768 1.00 0.00 C ATOM 1041 O PHE A 78 7.917 14.805 -5.753 1.00 0.00 O ATOM 1042 CB PHE A 78 6.588 13.829 -2.950 1.00 0.00 C ATOM 1043 CG PHE A 78 5.912 15.154 -3.314 1.00 0.00 C ATOM 1044 CD1 PHE A 78 6.642 16.301 -3.360 1.00 0.00 C ATOM 1045 CD2 PHE A 78 4.580 15.185 -3.586 1.00 0.00 C ATOM 1046 CE1 PHE A 78 6.016 17.529 -3.696 1.00 0.00 C ATOM 1047 CE2 PHE A 78 3.954 16.413 -3.924 1.00 0.00 C ATOM 1048 CZ PHE A 78 4.684 17.559 -3.972 1.00 0.00 C ATOM 0 H PHE A 78 8.305 12.112 -2.608 1.00 0.00 H new ATOM 0 HA PHE A 78 6.599 12.819 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.837 13.147 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.311 14.008 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.699 16.277 -3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.999 14.276 -3.545 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.596 18.439 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.897 16.437 -4.143 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.207 18.493 -4.229 1.00 0.00 H new ATOM 1058 N ASP A 79 9.448 14.245 -4.187 1.00 0.00 N ATOM 1059 CA ASP A 79 10.459 15.156 -4.691 1.00 0.00 C ATOM 1060 C ASP A 79 11.404 14.394 -5.624 1.00 0.00 C ATOM 1061 O ASP A 79 12.072 14.996 -6.462 1.00 0.00 O ATOM 1062 CB ASP A 79 11.295 15.740 -3.550 1.00 0.00 C ATOM 1063 CG ASP A 79 11.019 17.211 -3.232 1.00 0.00 C ATOM 1064 OD1 ASP A 79 9.875 17.642 -3.500 1.00 0.00 O ATOM 1065 OD2 ASP A 79 11.955 17.869 -2.731 1.00 0.00 O ATOM 0 H ASP A 79 9.732 13.702 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 79 9.951 15.965 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.117 15.150 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.350 15.630 -3.800 1.00 0.00 H new ATOM 1071 N GLY A 80 11.428 13.081 -5.447 1.00 0.00 N ATOM 1072 CA GLY A 80 12.278 12.231 -6.264 1.00 0.00 C ATOM 1073 C GLY A 80 11.636 10.859 -6.479 1.00 0.00 C ATOM 1074 O GLY A 80 12.218 9.836 -6.118 1.00 0.00 O ATOM 0 H GLY A 80 10.873 12.585 -4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.457 12.708 -7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.249 12.111 -5.783 1.00 0.00 H new ATOM 1078 N THR A 81 10.450 10.882 -7.067 1.00 0.00 N ATOM 1079 CA THR A 81 9.723 9.652 -7.335 1.00 0.00 C ATOM 1080 C THR A 81 10.690 8.468 -7.418 1.00 0.00 C ATOM 1081 O THR A 81 11.015 7.855 -6.403 1.00 0.00 O ATOM 1082 CB THR A 81 8.902 9.854 -8.608 1.00 0.00 C ATOM 1083 OG1 THR A 81 8.782 8.547 -9.158 1.00 0.00 O ATOM 1084 CG2 THR A 81 9.664 10.639 -9.678 1.00 0.00 C ATOM 0 H THR A 81 9.973 11.733 -7.366 1.00 0.00 H new ATOM 0 HA THR A 81 9.036 9.415 -6.523 1.00 0.00 H new ATOM 0 HB THR A 81 7.978 10.377 -8.362 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.215 7.998 -8.577 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.036 10.754 -10.561 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.927 11.623 -9.289 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.572 10.100 -9.947 1.00 0.00 H new ATOM 1092 N ARG A 82 11.124 8.185 -8.638 1.00 0.00 N ATOM 1093 CA ARG A 82 12.047 7.087 -8.867 1.00 0.00 C ATOM 1094 C ARG A 82 13.260 7.211 -7.942 1.00 0.00 C ATOM 1095 O ARG A 82 14.313 7.695 -8.353 1.00 0.00 O ATOM 1096 CB ARG A 82 12.525 7.063 -10.321 1.00 0.00 C ATOM 1097 CG ARG A 82 12.474 5.644 -10.891 1.00 0.00 C ATOM 1098 CD ARG A 82 13.387 5.511 -12.111 1.00 0.00 C ATOM 1099 NE ARG A 82 13.086 4.254 -12.834 1.00 0.00 N ATOM 1100 CZ ARG A 82 13.560 3.957 -14.050 1.00 0.00 C ATOM 1101 NH1 ARG A 82 14.363 4.821 -14.688 1.00 0.00 N ATOM 1102 NH2 ARG A 82 13.233 2.793 -14.631 1.00 0.00 N ATOM 0 H ARG A 82 10.853 8.697 -9.478 1.00 0.00 H new ATOM 0 HA ARG A 82 11.516 6.159 -8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.902 7.724 -10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 82 13.544 7.446 -10.379 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.777 4.930 -10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.450 5.397 -11.170 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.247 6.364 -12.775 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.431 5.519 -11.797 1.00 0.00 H new ATOM 0 HE ARG A 82 12.480 3.573 -12.377 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.613 5.706 -14.247 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.723 4.593 -15.615 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.623 2.135 -14.146 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.594 2.566 -15.558 1.00 0.00 H new ATOM 1116 N TRP A 83 13.072 6.764 -6.709 1.00 0.00 N ATOM 1117 CA TRP A 83 14.136 6.818 -5.722 1.00 0.00 C ATOM 1118 C TRP A 83 15.027 5.589 -5.920 1.00 0.00 C ATOM 1119 O TRP A 83 16.020 5.648 -6.642 1.00 0.00 O ATOM 1120 CB TRP A 83 13.568 6.923 -4.306 1.00 0.00 C ATOM 1121 CG TRP A 83 14.552 6.518 -3.207 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.563 5.388 -2.486 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.676 7.288 -2.733 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.607 5.374 -1.584 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.306 6.566 -1.739 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.145 8.552 -3.130 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.440 7.027 -1.060 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.281 8.998 -2.440 1.00 0.00 C ATOM 1129 CH2 TRP A 83 17.925 8.284 -1.439 1.00 0.00 C ATOM 0 H TRP A 83 12.197 6.362 -6.371 1.00 0.00 H new ATOM 0 HA TRP A 83 14.742 7.714 -5.858 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.246 7.949 -4.130 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.681 6.294 -4.234 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.845 4.589 -2.597 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.826 4.627 -0.925 1.00 0.00 H new ATOM 0 HE3 TRP A 83 15.668 9.134 -3.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 17.915 6.444 -0.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 17.683 9.964 -2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 83 18.797 8.697 -0.954 1.00 0.00 H new ATOM 1140 N GLY A 84 14.638 4.505 -5.264 1.00 0.00 N ATOM 1141 CA GLY A 84 15.387 3.265 -5.357 1.00 0.00 C ATOM 1142 C GLY A 84 14.934 2.267 -4.288 1.00 0.00 C ATOM 1143 O GLY A 84 13.739 2.014 -4.139 1.00 0.00 O ATOM 0 H GLY A 84 13.813 4.461 -4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.253 2.829 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.451 3.470 -5.241 1.00 0.00 H new ATOM 1147 N THR A 85 15.912 1.728 -3.575 1.00 0.00 N ATOM 1148 CA THR A 85 15.627 0.766 -2.525 1.00 0.00 C ATOM 1149 C THR A 85 15.569 -0.650 -3.102 1.00 0.00 C ATOM 1150 O THR A 85 16.508 -1.431 -2.939 1.00 0.00 O ATOM 1151 CB THR A 85 14.333 1.192 -1.828 1.00 0.00 C ATOM 1152 OG1 THR A 85 14.411 2.613 -1.788 1.00 0.00 O ATOM 1153 CG2 THR A 85 14.295 0.778 -0.357 1.00 0.00 C ATOM 0 H THR A 85 16.902 1.939 -3.704 1.00 0.00 H new ATOM 0 HA THR A 85 16.422 0.748 -1.779 1.00 0.00 H new ATOM 0 HB THR A 85 13.481 0.755 -2.349 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.547 2.907 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.356 1.105 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.374 -0.307 -0.282 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.128 1.240 0.173 1.00 0.00 H new ATOM 1161 N VAL A 86 14.458 -0.939 -3.764 1.00 0.00 N ATOM 1162 CA VAL A 86 14.266 -2.249 -4.366 1.00 0.00 C ATOM 1163 C VAL A 86 13.986 -3.276 -3.267 1.00 0.00 C ATOM 1164 O VAL A 86 13.653 -4.424 -3.556 1.00 0.00 O ATOM 1165 CB VAL A 86 15.479 -2.612 -5.226 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.166 -3.801 -6.137 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.954 -1.407 -6.041 1.00 0.00 C ATOM 0 H VAL A 86 13.682 -0.290 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 86 13.402 -2.240 -5.031 1.00 0.00 H new ATOM 0 HB VAL A 86 16.289 -2.904 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.043 -4.040 -6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.897 -4.665 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.334 -3.547 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.817 -1.692 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 86 15.150 -1.071 -6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.234 -0.599 -5.366 1.00 0.00 H new ATOM 1177 N ASP A 87 14.129 -2.824 -2.029 1.00 0.00 N ATOM 1178 CA ASP A 87 13.894 -3.689 -0.886 1.00 0.00 C ATOM 1179 C ASP A 87 13.291 -2.865 0.256 1.00 0.00 C ATOM 1180 O ASP A 87 13.992 -2.096 0.910 1.00 0.00 O ATOM 1181 CB ASP A 87 15.202 -4.304 -0.383 1.00 0.00 C ATOM 1182 CG ASP A 87 15.099 -5.765 0.058 1.00 0.00 C ATOM 1183 OD1 ASP A 87 15.490 -6.038 1.213 1.00 0.00 O ATOM 1184 OD2 ASP A 87 14.633 -6.578 -0.771 1.00 0.00 O ATOM 0 H ASP A 87 14.404 -1.871 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 87 13.217 -4.484 -1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.949 -4.230 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.566 -3.711 0.456 1.00 0.00 H new ATOM 1190 N CYS A 88 11.995 -3.056 0.459 1.00 0.00 N ATOM 1191 CA CYS A 88 11.289 -2.341 1.508 1.00 0.00 C ATOM 1192 C CYS A 88 11.338 -3.186 2.782 1.00 0.00 C ATOM 1193 O CYS A 88 10.346 -3.290 3.501 1.00 0.00 O ATOM 1194 CB CYS A 88 9.853 -2.008 1.100 1.00 0.00 C ATOM 1195 SG CYS A 88 8.844 -1.225 2.409 1.00 0.00 S ATOM 0 H CYS A 88 11.416 -3.696 -0.085 1.00 0.00 H new ATOM 0 HA CYS A 88 11.776 -1.383 1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.881 -1.344 0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.359 -2.926 0.781 1.00 0.00 H new ATOM 1200 N THR A 89 12.503 -3.768 3.024 1.00 0.00 N ATOM 1201 CA THR A 89 12.696 -4.603 4.198 1.00 0.00 C ATOM 1202 C THR A 89 13.095 -3.743 5.400 1.00 0.00 C ATOM 1203 O THR A 89 12.995 -4.187 6.543 1.00 0.00 O ATOM 1204 CB THR A 89 13.726 -5.678 3.850 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.779 -6.497 5.016 1.00 0.00 O ATOM 1206 CG2 THR A 89 15.143 -5.114 3.727 1.00 0.00 C ATOM 0 H THR A 89 13.324 -3.678 2.426 1.00 0.00 H new ATOM 0 HA THR A 89 11.771 -5.103 4.487 1.00 0.00 H new ATOM 0 HB THR A 89 13.445 -6.160 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.423 -7.223 4.877 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.835 -5.919 3.479 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.167 -4.359 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.438 -4.661 4.674 1.00 0.00 H new ATOM 1214 N THR A 90 13.537 -2.532 5.101 1.00 0.00 N ATOM 1215 CA THR A 90 13.952 -1.608 6.143 1.00 0.00 C ATOM 1216 C THR A 90 12.754 -0.795 6.642 1.00 0.00 C ATOM 1217 O THR A 90 12.491 -0.744 7.842 1.00 0.00 O ATOM 1218 CB THR A 90 15.083 -0.744 5.587 1.00 0.00 C ATOM 1219 OG1 THR A 90 16.214 -1.613 5.578 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.488 0.380 6.542 1.00 0.00 C ATOM 0 H THR A 90 13.617 -2.168 4.152 1.00 0.00 H new ATOM 0 HA THR A 90 14.331 -2.140 7.016 1.00 0.00 H new ATOM 0 HB THR A 90 14.774 -0.317 4.633 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.993 -1.132 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.295 0.962 6.097 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.631 1.028 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.827 -0.048 7.485 1.00 0.00 H new ATOM 1228 N ALA A 91 12.063 -0.180 5.695 1.00 0.00 N ATOM 1229 CA ALA A 91 10.901 0.627 6.021 1.00 0.00 C ATOM 1230 C ALA A 91 9.643 -0.242 5.955 1.00 0.00 C ATOM 1231 O ALA A 91 9.585 -1.195 5.179 1.00 0.00 O ATOM 1232 CB ALA A 91 10.829 1.827 5.074 1.00 0.00 C ATOM 0 H ALA A 91 12.286 -0.224 4.701 1.00 0.00 H new ATOM 0 HA ALA A 91 10.980 1.016 7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.956 2.432 5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.731 2.430 5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.749 1.475 4.046 1.00 0.00 H new ATOM 1238 N ALA A 92 8.670 0.116 6.779 1.00 0.00 N ATOM 1239 CA ALA A 92 7.419 -0.621 6.824 1.00 0.00 C ATOM 1240 C ALA A 92 6.500 -0.129 5.705 1.00 0.00 C ATOM 1241 O ALA A 92 6.108 1.039 5.688 1.00 0.00 O ATOM 1242 CB ALA A 92 6.786 -0.466 8.209 1.00 0.00 C ATOM 0 H ALA A 92 8.723 0.907 7.421 1.00 0.00 H new ATOM 0 HA ALA A 92 7.594 -1.684 6.662 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.847 -1.019 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.466 -0.858 8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.594 0.589 8.405 1.00 0.00 H new ATOM 1248 N CYS A 93 6.185 -1.038 4.796 1.00 0.00 N ATOM 1249 CA CYS A 93 5.320 -0.709 3.675 1.00 0.00 C ATOM 1250 C CYS A 93 3.867 -0.839 4.137 1.00 0.00 C ATOM 1251 O CYS A 93 3.452 -1.902 4.599 1.00 0.00 O ATOM 1252 CB CYS A 93 5.614 -1.588 2.458 1.00 0.00 C ATOM 1253 SG CYS A 93 7.238 -2.431 2.494 1.00 0.00 S ATOM 0 H CYS A 93 6.513 -2.004 4.812 1.00 0.00 H new ATOM 0 HA CYS A 93 5.508 0.316 3.354 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.831 -2.342 2.374 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.560 -0.971 1.561 1.00 0.00 H new ATOM 1258 N GLN A 94 3.134 0.254 3.992 1.00 0.00 N ATOM 1259 CA GLN A 94 1.735 0.276 4.387 1.00 0.00 C ATOM 1260 C GLN A 94 0.836 0.120 3.159 1.00 0.00 C ATOM 1261 O GLN A 94 0.851 0.962 2.263 1.00 0.00 O ATOM 1262 CB GLN A 94 1.401 1.557 5.154 1.00 0.00 C ATOM 1263 CG GLN A 94 2.179 1.626 6.469 1.00 0.00 C ATOM 1264 CD GLN A 94 2.596 3.065 6.783 1.00 0.00 C ATOM 1265 OE1 GLN A 94 3.765 3.414 6.782 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.577 3.876 7.053 1.00 0.00 N ATOM 0 H GLN A 94 3.482 1.132 3.606 1.00 0.00 H new ATOM 0 HA GLN A 94 1.552 -0.565 5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.639 2.426 4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.331 1.595 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.564 1.236 7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.064 0.992 6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.622 3.518 7.036 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.751 4.856 7.277 1.00 0.00 H new ATOM 1275 N VAL A 95 0.071 -0.962 3.160 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.834 -1.238 2.058 1.00 0.00 C ATOM 1277 C VAL A 95 -2.171 -0.537 2.311 1.00 0.00 C ATOM 1278 O VAL A 95 -2.921 -0.926 3.205 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.982 -2.750 1.867 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.608 -3.072 0.508 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.365 -3.456 2.031 1.00 0.00 C ATOM 0 H VAL A 95 0.060 -1.657 3.906 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.429 -0.842 1.126 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.653 -3.122 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.702 -4.152 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.595 -2.613 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.974 -2.680 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.233 -4.529 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.067 -3.077 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.756 -3.266 3.031 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.427 0.489 1.512 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.659 1.249 1.639 1.00 0.00 C ATOM 1293 C GLY A 96 -3.938 2.054 0.369 1.00 0.00 C ATOM 1294 O GLY A 96 -3.185 1.976 -0.600 1.00 0.00 O ATOM 0 H GLY A 96 -1.801 0.812 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.490 0.572 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.589 1.923 2.493 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.026 2.811 0.415 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.415 3.630 -0.720 1.00 0.00 C ATOM 1300 C LEU A 97 -5.119 5.099 -0.408 1.00 0.00 C ATOM 1301 O LEU A 97 -5.178 5.516 0.747 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.874 3.365 -1.097 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.884 3.424 0.051 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -7.849 2.139 0.880 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.665 4.669 0.911 1.00 0.00 C ATOM 0 H LEU A 97 -5.649 2.874 1.220 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.829 3.365 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.171 4.091 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.936 2.380 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.883 3.502 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.576 2.208 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.094 1.289 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.852 2.003 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.396 4.686 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.660 4.649 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.783 5.561 0.296 1.00 0.00 H new ATOM 1317 N SER A 98 -4.806 5.842 -1.460 1.00 0.00 N ATOM 1318 CA SER A 98 -4.500 7.254 -1.315 1.00 0.00 C ATOM 1319 C SER A 98 -5.675 8.098 -1.815 1.00 0.00 C ATOM 1320 O SER A 98 -6.184 7.873 -2.910 1.00 0.00 O ATOM 1321 CB SER A 98 -3.222 7.623 -2.071 1.00 0.00 C ATOM 1322 OG SER A 98 -2.051 7.250 -1.351 1.00 0.00 O ATOM 0 H SER A 98 -4.758 5.492 -2.417 1.00 0.00 H new ATOM 0 HA SER A 98 -4.336 7.461 -0.257 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.221 7.132 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.207 8.697 -2.256 1.00 0.00 H new ATOM 0 HG SER A 98 -1.829 7.950 -0.703 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.071 9.054 -0.987 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.177 9.933 -1.331 1.00 0.00 C ATOM 1330 C ASP A 99 -6.779 10.797 -2.529 1.00 0.00 C ATOM 1331 O ASP A 99 -5.595 10.940 -2.832 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.520 10.866 -0.168 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.220 10.306 1.222 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -6.026 10.044 1.484 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -8.192 10.147 1.993 1.00 0.00 O ATOM 0 H ASP A 99 -5.646 9.239 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.043 9.313 -1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.968 11.797 -0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.580 11.114 -0.222 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.792 11.350 -3.181 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.564 12.195 -4.339 1.00 0.00 C ATOM 1343 C ALA A 100 -7.346 13.638 -3.878 1.00 0.00 C ATOM 1344 O ALA A 100 -7.142 14.530 -4.698 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.744 12.066 -5.305 1.00 0.00 C ATOM 0 H ALA A 100 -8.773 11.229 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.668 11.880 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.573 12.700 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.840 11.029 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.660 12.377 -4.803 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.389 13.818 -2.566 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.196 15.136 -1.986 1.00 0.00 C ATOM 1353 C ALA A 101 -5.794 15.222 -1.380 1.00 0.00 C ATOM 1354 O ALA A 101 -5.314 16.310 -1.067 1.00 0.00 O ATOM 1355 CB ALA A 101 -8.295 15.406 -0.954 1.00 0.00 C ATOM 0 H ALA A 101 -7.555 13.074 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.272 15.907 -2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.150 16.395 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.269 15.363 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.248 14.653 -0.167 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.176 14.058 -1.233 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.839 13.987 -0.668 1.00 0.00 C ATOM 1363 C GLY A 102 -3.874 14.161 0.852 1.00 0.00 C ATOM 1364 O GLY A 102 -3.221 15.054 1.392 1.00 0.00 O ATOM 0 H GLY A 102 -5.577 13.157 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.386 13.027 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.212 14.760 -1.111 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.643 13.298 1.495 1.00 0.00 N ATOM 1369 CA ASN A 103 -4.772 13.344 2.943 1.00 0.00 C ATOM 1370 C ASN A 103 -4.248 12.034 3.538 1.00 0.00 C ATOM 1371 O ASN A 103 -4.410 10.971 2.946 1.00 0.00 O ATOM 1372 CB ASN A 103 -6.234 13.502 3.360 1.00 0.00 C ATOM 1373 CG ASN A 103 -6.808 14.828 2.859 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -7.838 14.693 2.028 1.00 0.00 O flip ATOM 1375 ND2 ASN A 103 -6.345 15.903 3.201 1.00 0.00 N flip ATOM 0 H ASN A 103 -5.184 12.562 1.042 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.200 14.197 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.821 12.674 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.313 13.455 4.446 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.553 15.936 3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.750 16.769 2.846 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.631 12.159 4.704 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.082 10.999 5.388 1.00 0.00 C ATOM 1384 C GLY A 104 -3.976 9.771 5.188 1.00 0.00 C ATOM 1385 O GLY A 104 -4.958 9.593 5.907 1.00 0.00 O ATOM 0 H GLY A 104 -3.499 13.045 5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.081 10.790 5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.984 11.212 6.452 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.592 8.939 4.184 1.00 0.00 N ATOM 1390 CA PRO A 105 -4.347 7.735 3.882 1.00 0.00 C ATOM 1391 C PRO A 105 -4.089 6.649 4.927 1.00 0.00 C ATOM 1392 O PRO A 105 -3.032 6.628 5.558 1.00 0.00 O ATOM 1393 CB PRO A 105 -3.901 7.333 2.485 1.00 0.00 C ATOM 1394 CG PRO A 105 -2.583 8.052 2.243 1.00 0.00 C ATOM 1395 CD PRO A 105 -2.435 9.121 3.314 1.00 0.00 C ATOM 0 HA PRO A 105 -5.425 7.895 3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.776 6.253 2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.644 7.619 1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.751 7.349 2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.569 8.501 1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.503 9.002 3.866 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.422 10.120 2.877 1.00 0.00 H new ATOM 1403 N GLU A 106 -5.070 5.773 5.079 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.964 4.687 6.037 1.00 0.00 C ATOM 1405 C GLU A 106 -4.333 3.458 5.380 1.00 0.00 C ATOM 1406 O GLU A 106 -4.963 2.801 4.552 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.329 4.346 6.636 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.462 4.908 8.054 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.329 3.995 8.926 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -6.876 2.860 9.184 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -8.425 4.456 9.315 1.00 0.00 O ATOM 0 H GLU A 106 -5.944 5.793 4.553 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.318 5.012 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.119 4.752 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.461 3.264 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.474 5.013 8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.902 5.904 8.015 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.097 3.187 5.772 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.374 2.050 5.229 1.00 0.00 C ATOM 1421 C GLY A 107 -2.174 0.967 6.294 1.00 0.00 C ATOM 1422 O GLY A 107 -2.172 1.261 7.489 1.00 0.00 O ATOM 0 H GLY A 107 -2.578 3.735 6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.923 1.636 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.405 2.377 4.851 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.012 -0.261 5.824 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.812 -1.384 6.718 1.00 0.00 C ATOM 1428 C VAL A 108 -0.334 -1.776 6.720 1.00 0.00 C ATOM 1429 O VAL A 108 0.216 -2.140 5.682 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.735 -2.541 6.323 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.350 -3.104 4.953 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.730 -3.637 7.389 1.00 0.00 C ATOM 0 H VAL A 108 -2.016 -0.501 4.833 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.076 -1.107 7.739 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.750 -2.151 6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.020 -3.924 4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.431 -2.319 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.324 -3.470 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.394 -4.446 7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.718 -4.024 7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.075 -3.224 8.337 1.00 0.00 H new ATOM 1442 N ALA A 109 0.269 -1.687 7.897 1.00 0.00 N ATOM 1443 CA ALA A 109 1.674 -2.025 8.045 1.00 0.00 C ATOM 1444 C ALA A 109 1.866 -3.518 7.769 1.00 0.00 C ATOM 1445 O ALA A 109 1.776 -4.339 8.680 1.00 0.00 O ATOM 1446 CB ALA A 109 2.150 -1.625 9.444 1.00 0.00 C ATOM 0 H ALA A 109 -0.190 -1.386 8.757 1.00 0.00 H new ATOM 0 HA ALA A 109 2.280 -1.475 7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.204 -1.878 9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.018 -0.552 9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.567 -2.160 10.194 1.00 0.00 H new ATOM 1452 N ILE A 110 2.127 -3.824 6.507 1.00 0.00 N ATOM 1453 CA ILE A 110 2.334 -5.203 6.099 1.00 0.00 C ATOM 1454 C ILE A 110 3.676 -5.697 6.644 1.00 0.00 C ATOM 1455 O ILE A 110 4.727 -5.174 6.279 1.00 0.00 O ATOM 1456 CB ILE A 110 2.199 -5.339 4.580 1.00 0.00 C ATOM 1457 CG1 ILE A 110 1.414 -6.599 4.210 1.00 0.00 C ATOM 1458 CG2 ILE A 110 3.570 -5.297 3.903 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.061 -6.275 3.969 1.00 0.00 C ATOM 0 H ILE A 110 2.200 -3.141 5.753 1.00 0.00 H new ATOM 0 HA ILE A 110 1.562 -5.845 6.523 1.00 0.00 H new ATOM 0 HB ILE A 110 1.631 -4.486 4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.842 -7.049 3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.502 -7.335 5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.446 -5.396 2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.058 -4.348 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.184 -6.117 4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.596 -7.188 3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.492 -5.848 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.147 -5.558 3.153 1.00 0.00 H new ATOM 1471 N SER A 111 3.595 -6.698 7.509 1.00 0.00 N ATOM 1472 CA SER A 111 4.790 -7.268 8.106 1.00 0.00 C ATOM 1473 C SER A 111 5.482 -8.201 7.110 1.00 0.00 C ATOM 1474 O SER A 111 5.558 -9.408 7.334 1.00 0.00 O ATOM 1475 CB SER A 111 4.453 -8.022 9.394 1.00 0.00 C ATOM 1476 OG SER A 111 5.237 -7.571 10.496 1.00 0.00 O ATOM 0 H SER A 111 2.721 -7.128 7.810 1.00 0.00 H new ATOM 0 HA SER A 111 5.468 -6.453 8.359 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.395 -7.893 9.624 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.618 -9.089 9.244 1.00 0.00 H new ATOM 0 HG SER A 111 5.228 -8.249 11.203 1.00 0.00 H new ATOM 1482 N PHE A 112 5.966 -7.605 6.030 1.00 0.00 N ATOM 1483 CA PHE A 112 6.647 -8.369 4.998 1.00 0.00 C ATOM 1484 C PHE A 112 7.694 -9.304 5.607 1.00 0.00 C ATOM 1485 O PHE A 112 7.875 -9.329 6.825 1.00 0.00 O ATOM 1486 CB PHE A 112 7.352 -7.361 4.089 1.00 0.00 C ATOM 1487 CG PHE A 112 8.090 -6.251 4.844 1.00 0.00 C ATOM 1488 CD1 PHE A 112 9.070 -6.566 5.730 1.00 0.00 C ATOM 1489 CD2 PHE A 112 7.763 -4.949 4.624 1.00 0.00 C ATOM 1490 CE1 PHE A 112 9.754 -5.538 6.429 1.00 0.00 C ATOM 1491 CE2 PHE A 112 8.448 -3.919 5.323 1.00 0.00 C ATOM 1492 CZ PHE A 112 9.429 -4.235 6.211 1.00 0.00 C ATOM 0 H PHE A 112 5.900 -6.604 5.847 1.00 0.00 H new ATOM 0 HA PHE A 112 5.928 -8.979 4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.064 -7.893 3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.615 -6.908 3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 112 9.329 -7.600 5.903 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.984 -4.699 3.919 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.532 -5.790 7.134 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.190 -2.885 5.149 1.00 0.00 H new ATOM 0 HZ PHE A 112 9.949 -3.452 6.743 1.00 0.00 H new ATOM 1502 N ASN A 113 8.355 -10.050 4.735 1.00 0.00 N ATOM 1503 CA ASN A 113 9.379 -10.985 5.173 1.00 0.00 C ATOM 1504 C ASN A 113 10.503 -10.214 5.867 1.00 0.00 C ATOM 1505 O ASN A 113 11.591 -10.065 5.314 1.00 0.00 O ATOM 1506 CB ASN A 113 9.983 -11.735 3.985 1.00 0.00 C ATOM 1507 CG ASN A 113 11.045 -12.733 4.451 1.00 0.00 C ATOM 1508 OD1 ASN A 113 10.763 -13.705 5.131 1.00 0.00 O ATOM 1509 ND2 ASN A 113 12.277 -12.439 4.047 1.00 0.00 N ATOM 0 H ASN A 113 8.202 -10.027 3.727 1.00 0.00 H new ATOM 0 HA ASN A 113 8.916 -11.700 5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.196 -12.261 3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.427 -11.024 3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.056 -13.044 4.305 1.00 0.00 H new ATOM 0 HD22 ASN A 113 12.443 -11.608 3.479 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.790 7.213 0.871 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.383 6.677 -0.355 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.378 5.491 -0.357 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -0.790 4.903 -1.549 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.413 5.473 -2.748 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.354 6.651 -2.776 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.736 7.306 -1.570 1.00 0.00 C HETATM 1524 C11 NCZ A 130 1.103 8.703 -1.605 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.569 9.190 -2.636 1.00 0.00 O HETATM 1526 O4 NCZ A 130 1.001 9.615 -0.460 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.087 11.059 -0.701 1.00 0.00 C HETATM 1528 C13 NCZ A 130 1.536 11.821 0.549 1.00 0.00 C HETATM 1529 C14 NCZ A 130 0.456 12.293 1.188 1.00 0.00 C HETATM 1530 C15 NCZ A 130 -0.792 12.167 0.395 1.00 0.00 C HETATM 1531 C16 NCZ A 130 -0.319 11.625 -0.969 1.00 0.00 C HETATM 1532 O6 NCZ A 130 -0.294 12.734 -1.912 1.00 0.00 O HETATM 1533 O5 NCZ A 130 2.373 12.917 0.173 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.685 7.163 -4.040 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.725 4.926 0.848 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.316 5.499 2.043 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.448 6.640 2.066 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.845 7.163 3.289 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.261 8.524 3.515 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.567 3.692 0.937 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.534 3.877 0.470 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.067 2.872 0.422 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.714 3.427 1.984 1.00 0.00 H new HETATM 0 H173 NCZ A 130 2.133 8.745 2.899 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.449 9.201 3.251 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.516 8.657 4.566 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.714 5.004 -3.685 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.404 4.002 -1.536 1.00 0.00 H new HETATM 0 H6 NCZ A 130 -1.206 13.062 -2.055 1.00 0.00 H new HETATM 0 H5 NCZ A 130 2.656 13.403 0.976 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.607 5.034 2.985 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.102 8.044 -3.937 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.963 10.855 -1.393 1.00 0.00 H new HETATM 0 H15 NCZ A 130 -1.810 12.403 0.706 1.00 0.00 H new HETATM 0 H14 NCZ A 130 0.491 12.725 2.188 1.00 0.00 H new HETATM 0 H13 NCZ A 130 2.092 11.148 1.202 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.784 11.182 -1.530 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.400 8.117 0.875 1.00 0.00 H new