USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=31 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= -0.865 F(o=-25!,f=-22) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -21.6! C(o=-25!,f=-22!) USER MOD Single : A 1 ALA N :NH3+ -166:sc= -0.146 (180deg=-0.447) USER MOD Single : A 4 THR OG1 : rot -72:sc= 0.851 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -100:sc= 0.34 USER MOD Single : A 11 SER OG : rot 9:sc= 0.174 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -17.9! C(o=-18!,f=-26!) USER MOD Single : A 30 THR OG1 : rot 110:sc= 0.926 USER MOD Single : A 32 TYR OH : rot 165:sc= -2.2! USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 120:sc= -0.706 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -176:sc= -4.27! USER MOD Single : A 60 ASN : amide:sc= -0.314 K(o=-0.31,f=-0.95) USER MOD Single : A 62 SER OG : rot 180:sc= -1.19 USER MOD Single : A 64 SER OG : rot 56:sc= 0.0869 USER MOD Single : A 65 THR OG1 : rot -150:sc=-0.000339 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -134:sc= -0.0906 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 46:sc= -3.4! 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= -0.233 K(o=-0.23,f=-2.6!) USER MOD Single : A 98 SER OG : rot 140:sc= -2.07! USER MOD Single : A 103 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.28) USER MOD Single : A 111 SER OG : rot 180:sc= -0.204 USER MOD Single : A 113 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.16) USER MOD Single : A 130 NCZ O2 : rot -120:sc= 0.809 USER MOD Single : A 130 NCZ O5 : rot 7:sc= 0.75 USER MOD Single : A 130 NCZ O6 : rot 125:sc= 0.672 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.520 -6.158 7.172 1.00 0.00 N ATOM 2 CA ALA A 1 -12.882 -6.471 8.542 1.00 0.00 C ATOM 3 C ALA A 1 -13.591 -5.267 9.165 1.00 0.00 C ATOM 4 O ALA A 1 -14.335 -5.412 10.135 1.00 0.00 O ATOM 5 CB ALA A 1 -11.628 -6.874 9.322 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.258 -7.032 6.674 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.329 -5.715 6.692 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.713 -5.502 7.167 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.572 -7.314 8.573 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.900 -7.109 10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.176 -7.750 8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.914 -6.050 9.314 1.00 0.00 H new ATOM 11 N ALA A 2 -13.339 -4.104 8.583 1.00 0.00 N ATOM 12 CA ALA A 2 -13.945 -2.876 9.066 1.00 0.00 C ATOM 13 C ALA A 2 -12.879 -1.783 9.148 1.00 0.00 C ATOM 14 O ALA A 2 -13.137 -0.631 8.805 1.00 0.00 O ATOM 15 CB ALA A 2 -14.615 -3.136 10.417 1.00 0.00 C ATOM 0 H ALA A 2 -12.722 -3.987 7.779 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.717 -2.533 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.070 -2.215 10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.384 -3.900 10.301 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.868 -3.479 11.133 1.00 0.00 H new ATOM 21 N PRO A 3 -11.669 -2.194 9.616 1.00 0.00 N ATOM 22 CA PRO A 3 -10.561 -1.261 9.745 1.00 0.00 C ATOM 23 C PRO A 3 -9.960 -0.931 8.377 1.00 0.00 C ATOM 24 O PRO A 3 -8.781 -1.188 8.134 1.00 0.00 O ATOM 25 CB PRO A 3 -9.576 -1.947 10.677 1.00 0.00 C ATOM 26 CG PRO A 3 -9.949 -3.422 10.662 1.00 0.00 C ATOM 27 CD PRO A 3 -11.325 -3.549 10.030 1.00 0.00 C ATOM 0 HA PRO A 3 -10.868 -0.297 10.151 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.550 -1.800 10.339 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.641 -1.537 11.685 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.215 -3.996 10.096 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.956 -3.824 11.675 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.309 -4.231 9.180 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.052 -3.943 10.740 1.00 0.00 H new ATOM 35 N THR A 4 -10.796 -0.367 7.518 1.00 0.00 N ATOM 36 CA THR A 4 -10.362 0.002 6.182 1.00 0.00 C ATOM 37 C THR A 4 -9.811 -1.221 5.445 1.00 0.00 C ATOM 38 O THR A 4 -10.035 -2.357 5.863 1.00 0.00 O ATOM 39 CB THR A 4 -9.350 1.140 6.310 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.084 0.487 6.271 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.385 1.802 7.690 1.00 0.00 C ATOM 0 H THR A 4 -11.773 -0.156 7.722 1.00 0.00 H new ATOM 0 HA THR A 4 -11.197 0.358 5.579 1.00 0.00 H new ATOM 0 HB THR A 4 -9.548 1.888 5.542 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.938 0.005 7.112 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.647 2.603 7.728 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.378 2.214 7.871 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.155 1.061 8.455 1.00 0.00 H new ATOM 49 N ALA A 5 -9.100 -0.948 4.361 1.00 0.00 N ATOM 50 CA ALA A 5 -8.514 -2.011 3.562 1.00 0.00 C ATOM 51 C ALA A 5 -7.306 -2.592 4.300 1.00 0.00 C ATOM 52 O ALA A 5 -6.410 -1.857 4.709 1.00 0.00 O ATOM 53 CB ALA A 5 -8.146 -1.468 2.180 1.00 0.00 C ATOM 0 H ALA A 5 -8.916 -0.005 4.017 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.231 -2.819 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.706 -2.266 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.043 -1.095 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.426 -0.656 2.288 1.00 0.00 H new ATOM 59 N THR A 6 -7.321 -3.908 4.449 1.00 0.00 N ATOM 60 CA THR A 6 -6.238 -4.598 5.132 1.00 0.00 C ATOM 61 C THR A 6 -5.855 -5.870 4.374 1.00 0.00 C ATOM 62 O THR A 6 -6.716 -6.545 3.813 1.00 0.00 O ATOM 63 CB THR A 6 -6.678 -4.857 6.573 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.084 -5.066 6.476 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.546 -3.617 7.460 1.00 0.00 C ATOM 0 H THR A 6 -8.066 -4.516 4.109 1.00 0.00 H new ATOM 0 HA THR A 6 -5.334 -3.989 5.158 1.00 0.00 H new ATOM 0 HB THR A 6 -6.082 -5.667 6.992 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.451 -5.243 7.367 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.872 -3.857 8.472 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.505 -3.294 7.481 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.167 -2.816 7.060 1.00 0.00 H new ATOM 73 N VAL A 7 -4.563 -6.157 4.382 1.00 0.00 N ATOM 74 CA VAL A 7 -4.054 -7.339 3.703 1.00 0.00 C ATOM 75 C VAL A 7 -4.095 -8.529 4.661 1.00 0.00 C ATOM 76 O VAL A 7 -3.367 -8.558 5.654 1.00 0.00 O ATOM 77 CB VAL A 7 -2.654 -7.061 3.152 1.00 0.00 C ATOM 78 CG1 VAL A 7 -1.873 -8.364 2.963 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.726 -6.272 1.843 1.00 0.00 C ATOM 0 H VAL A 7 -3.852 -5.593 4.847 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.682 -7.590 2.848 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.121 -6.451 3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.881 -8.140 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.777 -8.873 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.404 -9.008 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.717 -6.088 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.285 -6.845 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.227 -5.320 2.019 1.00 0.00 H new ATOM 89 N THR A 8 -4.952 -9.484 4.331 1.00 0.00 N ATOM 90 CA THR A 8 -5.097 -10.676 5.150 1.00 0.00 C ATOM 91 C THR A 8 -3.730 -11.310 5.417 1.00 0.00 C ATOM 92 O THR A 8 -3.245 -11.297 6.547 1.00 0.00 O ATOM 93 CB THR A 8 -6.076 -11.616 4.445 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.333 -11.326 5.053 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.827 -13.087 4.791 1.00 0.00 C ATOM 0 H THR A 8 -5.553 -9.457 3.508 1.00 0.00 H new ATOM 0 HA THR A 8 -5.505 -10.435 6.132 1.00 0.00 H new ATOM 0 HB THR A 8 -6.000 -11.478 3.366 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.027 -11.891 4.654 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.549 -13.712 4.265 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.817 -13.366 4.489 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.937 -13.232 5.866 1.00 0.00 H new ATOM 103 N PRO A 9 -3.132 -11.863 4.328 1.00 0.00 N ATOM 104 CA PRO A 9 -1.831 -12.501 4.432 1.00 0.00 C ATOM 105 C PRO A 9 -0.717 -11.459 4.556 1.00 0.00 C ATOM 106 O PRO A 9 0.253 -11.489 3.802 1.00 0.00 O ATOM 107 CB PRO A 9 -1.708 -13.354 3.179 1.00 0.00 C ATOM 108 CG PRO A 9 -2.734 -12.807 2.201 1.00 0.00 C ATOM 109 CD PRO A 9 -3.676 -11.897 2.973 1.00 0.00 C ATOM 0 HA PRO A 9 -1.736 -13.116 5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.702 -13.295 2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.900 -14.404 3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.242 -12.255 1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.288 -13.621 1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.710 -10.899 2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.695 -12.284 2.965 1.00 0.00 H new ATOM 117 N SER A 10 -0.896 -10.560 5.514 1.00 0.00 N ATOM 118 CA SER A 10 0.082 -9.510 5.747 1.00 0.00 C ATOM 119 C SER A 10 1.162 -10.006 6.709 1.00 0.00 C ATOM 120 O SER A 10 2.096 -9.271 7.032 1.00 0.00 O ATOM 121 CB SER A 10 -0.585 -8.250 6.302 1.00 0.00 C ATOM 122 OG SER A 10 -1.247 -8.498 7.539 1.00 0.00 O ATOM 0 H SER A 10 -1.703 -10.537 6.137 1.00 0.00 H new ATOM 0 HA SER A 10 0.543 -9.254 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.167 -7.473 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.304 -7.870 5.576 1.00 0.00 H new ATOM 0 HG SER A 10 -2.207 -8.611 7.379 1.00 0.00 H new ATOM 128 N SER A 11 1.000 -11.248 7.140 1.00 0.00 N ATOM 129 CA SER A 11 1.953 -11.850 8.058 1.00 0.00 C ATOM 130 C SER A 11 3.019 -12.621 7.277 1.00 0.00 C ATOM 131 O SER A 11 2.695 -13.453 6.434 1.00 0.00 O ATOM 132 CB SER A 11 1.248 -12.778 9.051 1.00 0.00 C ATOM 133 OG SER A 11 0.868 -14.013 8.451 1.00 0.00 O ATOM 0 H SER A 11 0.224 -11.854 6.871 1.00 0.00 H new ATOM 0 HA SER A 11 2.434 -11.052 8.624 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.908 -12.974 9.896 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.363 -12.280 9.447 1.00 0.00 H new ATOM 0 HG SER A 11 1.266 -14.079 7.558 1.00 0.00 H new ATOM 139 N GLY A 12 4.270 -12.315 7.587 1.00 0.00 N ATOM 140 CA GLY A 12 5.386 -12.967 6.925 1.00 0.00 C ATOM 141 C GLY A 12 5.120 -13.124 5.428 1.00 0.00 C ATOM 142 O GLY A 12 5.313 -14.203 4.868 1.00 0.00 O ATOM 0 H GLY A 12 4.535 -11.624 8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.294 -12.384 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.557 -13.946 7.372 1.00 0.00 H new ATOM 146 N LEU A 13 4.681 -12.031 4.819 1.00 0.00 N ATOM 147 CA LEU A 13 4.386 -12.031 3.397 1.00 0.00 C ATOM 148 C LEU A 13 5.698 -12.061 2.609 1.00 0.00 C ATOM 149 O LEU A 13 6.778 -11.958 3.189 1.00 0.00 O ATOM 150 CB LEU A 13 3.479 -10.854 3.038 1.00 0.00 C ATOM 151 CG LEU A 13 3.805 -9.524 3.718 1.00 0.00 C ATOM 152 CD1 LEU A 13 5.182 -9.012 3.292 1.00 0.00 C ATOM 153 CD2 LEU A 13 2.705 -8.491 3.461 1.00 0.00 C ATOM 0 H LEU A 13 4.523 -11.138 5.286 1.00 0.00 H new ATOM 0 HA LEU A 13 3.829 -12.927 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.519 -10.707 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.452 -11.124 3.285 1.00 0.00 H new ATOM 0 HG LEU A 13 3.843 -9.693 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.388 -8.065 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.943 -9.741 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.197 -8.865 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.962 -7.555 3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.609 -8.320 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.759 -8.861 3.855 1.00 0.00 H new ATOM 165 N SER A 14 5.559 -12.203 1.299 1.00 0.00 N ATOM 166 CA SER A 14 6.718 -12.248 0.425 1.00 0.00 C ATOM 167 C SER A 14 6.477 -11.379 -0.811 1.00 0.00 C ATOM 168 O SER A 14 5.334 -11.173 -1.214 1.00 0.00 O ATOM 169 CB SER A 14 7.041 -13.684 0.011 1.00 0.00 C ATOM 170 OG SER A 14 8.425 -13.856 -0.289 1.00 0.00 O ATOM 0 H SER A 14 4.661 -12.288 0.822 1.00 0.00 H new ATOM 0 HA SER A 14 7.575 -11.856 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.757 -14.365 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.445 -13.952 -0.861 1.00 0.00 H new ATOM 0 HG SER A 14 8.591 -14.787 -0.547 1.00 0.00 H new ATOM 176 N ASP A 15 7.573 -10.891 -1.377 1.00 0.00 N ATOM 177 CA ASP A 15 7.494 -10.049 -2.557 1.00 0.00 C ATOM 178 C ASP A 15 6.849 -10.838 -3.698 1.00 0.00 C ATOM 179 O ASP A 15 7.513 -11.631 -4.363 1.00 0.00 O ATOM 180 CB ASP A 15 8.887 -9.611 -3.014 1.00 0.00 C ATOM 181 CG ASP A 15 9.866 -10.752 -3.291 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.589 -11.868 -2.802 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.870 -10.484 -3.987 1.00 0.00 O ATOM 0 H ASP A 15 8.520 -11.064 -1.039 1.00 0.00 H new ATOM 0 HA ASP A 15 6.903 -9.168 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.784 -9.013 -3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.316 -8.962 -2.250 1.00 0.00 H new ATOM 189 N GLY A 16 5.560 -10.594 -3.889 1.00 0.00 N ATOM 190 CA GLY A 16 4.817 -11.272 -4.939 1.00 0.00 C ATOM 191 C GLY A 16 3.769 -12.215 -4.346 1.00 0.00 C ATOM 192 O GLY A 16 3.363 -13.181 -4.990 1.00 0.00 O ATOM 0 H GLY A 16 5.011 -9.937 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.329 -10.536 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.504 -11.836 -5.570 1.00 0.00 H new ATOM 196 N THR A 17 3.360 -11.902 -3.124 1.00 0.00 N ATOM 197 CA THR A 17 2.366 -12.709 -2.438 1.00 0.00 C ATOM 198 C THR A 17 0.967 -12.131 -2.655 1.00 0.00 C ATOM 199 O THR A 17 0.731 -10.953 -2.395 1.00 0.00 O ATOM 200 CB THR A 17 2.766 -12.798 -0.964 1.00 0.00 C ATOM 201 OG1 THR A 17 3.527 -13.999 -0.883 1.00 0.00 O ATOM 202 CG2 THR A 17 1.567 -13.053 -0.048 1.00 0.00 C ATOM 0 H THR A 17 3.700 -11.101 -2.592 1.00 0.00 H new ATOM 0 HA THR A 17 2.330 -13.721 -2.842 1.00 0.00 H new ATOM 0 HB THR A 17 3.262 -11.874 -0.665 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.828 -14.134 0.040 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.905 -13.108 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.849 -12.239 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.091 -13.994 -0.325 1.00 0.00 H new ATOM 210 N VAL A 18 0.076 -12.988 -3.130 1.00 0.00 N ATOM 211 CA VAL A 18 -1.295 -12.577 -3.386 1.00 0.00 C ATOM 212 C VAL A 18 -2.024 -12.394 -2.055 1.00 0.00 C ATOM 213 O VAL A 18 -2.211 -13.353 -1.308 1.00 0.00 O ATOM 214 CB VAL A 18 -1.981 -13.585 -4.309 1.00 0.00 C ATOM 215 CG1 VAL A 18 -3.137 -12.935 -5.072 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.977 -14.219 -5.274 1.00 0.00 C ATOM 0 H VAL A 18 0.276 -13.965 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.315 -11.618 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.395 -14.378 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.606 -13.675 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.873 -12.555 -4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.757 -12.112 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.492 -14.932 -5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.519 -13.441 -5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.204 -14.736 -4.706 1.00 0.00 H new ATOM 226 N VAL A 19 -2.419 -11.156 -1.795 1.00 0.00 N ATOM 227 CA VAL A 19 -3.123 -10.835 -0.567 1.00 0.00 C ATOM 228 C VAL A 19 -4.492 -10.245 -0.908 1.00 0.00 C ATOM 229 O VAL A 19 -4.724 -9.816 -2.036 1.00 0.00 O ATOM 230 CB VAL A 19 -2.271 -9.903 0.299 1.00 0.00 C ATOM 231 CG1 VAL A 19 -0.844 -10.440 0.440 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.266 -8.480 -0.267 1.00 0.00 C ATOM 0 H VAL A 19 -2.264 -10.362 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.294 -11.737 0.020 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.717 -9.867 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.259 -9.760 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.870 -11.425 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.386 -10.518 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.654 -7.838 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.855 -8.491 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.286 -8.096 -0.295 1.00 0.00 H new ATOM 242 N LYS A 20 -5.366 -10.244 0.089 1.00 0.00 N ATOM 243 CA LYS A 20 -6.707 -9.715 -0.092 1.00 0.00 C ATOM 244 C LYS A 20 -6.867 -8.446 0.747 1.00 0.00 C ATOM 245 O LYS A 20 -6.807 -8.497 1.973 1.00 0.00 O ATOM 246 CB LYS A 20 -7.753 -10.788 0.212 1.00 0.00 C ATOM 247 CG LYS A 20 -9.037 -10.545 -0.581 1.00 0.00 C ATOM 248 CD LYS A 20 -10.273 -10.760 0.295 1.00 0.00 C ATOM 249 CE LYS A 20 -11.370 -11.497 -0.476 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.165 -12.349 0.437 1.00 0.00 N ATOM 0 H LYS A 20 -5.171 -10.601 1.024 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.867 -9.433 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.351 -11.771 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.976 -10.791 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.038 -9.529 -0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.072 -11.218 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.000 -11.332 1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.650 -9.797 0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.022 -10.776 -0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.923 -12.111 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.905 -12.841 -0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.542 -13.049 0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.607 -11.756 1.168 1.00 0.00 H new ATOM 264 N VAL A 21 -7.069 -7.336 0.051 1.00 0.00 N ATOM 265 CA VAL A 21 -7.239 -6.056 0.716 1.00 0.00 C ATOM 266 C VAL A 21 -8.727 -5.814 0.976 1.00 0.00 C ATOM 267 O VAL A 21 -9.423 -5.252 0.131 1.00 0.00 O ATOM 268 CB VAL A 21 -6.586 -4.945 -0.111 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.104 -3.805 0.788 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.440 -5.497 -0.960 1.00 0.00 C ATOM 0 H VAL A 21 -7.119 -7.297 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.737 -6.059 1.684 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.340 -4.542 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.644 -3.029 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.952 -3.385 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.372 -4.187 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.993 -4.688 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.685 -5.938 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.824 -6.258 -1.639 1.00 0.00 H new ATOM 280 N ALA A 22 -9.170 -6.247 2.147 1.00 0.00 N ATOM 281 CA ALA A 22 -10.563 -6.083 2.526 1.00 0.00 C ATOM 282 C ALA A 22 -10.743 -4.731 3.218 1.00 0.00 C ATOM 283 O ALA A 22 -10.238 -4.521 4.322 1.00 0.00 O ATOM 284 CB ALA A 22 -10.990 -7.254 3.415 1.00 0.00 C ATOM 0 H ALA A 22 -8.589 -6.711 2.846 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.204 -6.090 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.035 -7.132 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.870 -8.189 2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.370 -7.276 4.311 1.00 0.00 H new ATOM 290 N GLY A 23 -11.462 -3.846 2.542 1.00 0.00 N ATOM 291 CA GLY A 23 -11.715 -2.520 3.077 1.00 0.00 C ATOM 292 C GLY A 23 -13.188 -2.351 3.455 1.00 0.00 C ATOM 293 O GLY A 23 -14.073 -2.816 2.738 1.00 0.00 O ATOM 0 H GLY A 23 -11.877 -4.023 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.090 -2.353 3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.437 -1.767 2.339 1.00 0.00 H new ATOM 297 N ALA A 24 -13.406 -1.688 4.581 1.00 0.00 N ATOM 298 CA ALA A 24 -14.756 -1.454 5.063 1.00 0.00 C ATOM 299 C ALA A 24 -14.819 -0.085 5.745 1.00 0.00 C ATOM 300 O ALA A 24 -14.131 0.150 6.736 1.00 0.00 O ATOM 301 CB ALA A 24 -15.169 -2.590 5.999 1.00 0.00 C ATOM 0 H ALA A 24 -12.669 -1.305 5.174 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.463 -1.443 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.182 -2.414 6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.136 -3.536 5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.484 -2.631 6.846 1.00 0.00 H new ATOM 307 N GLY A 25 -15.653 0.781 5.187 1.00 0.00 N ATOM 308 CA GLY A 25 -15.815 2.119 5.728 1.00 0.00 C ATOM 309 C GLY A 25 -14.757 3.069 5.165 1.00 0.00 C ATOM 310 O GLY A 25 -14.619 4.198 5.634 1.00 0.00 O ATOM 0 H GLY A 25 -16.224 0.581 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.810 2.494 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.739 2.087 6.815 1.00 0.00 H new ATOM 314 N LEU A 26 -14.035 2.578 4.169 1.00 0.00 N ATOM 315 CA LEU A 26 -12.994 3.370 3.538 1.00 0.00 C ATOM 316 C LEU A 26 -13.638 4.478 2.703 1.00 0.00 C ATOM 317 O LEU A 26 -14.173 5.442 3.247 1.00 0.00 O ATOM 318 CB LEU A 26 -12.044 2.471 2.743 1.00 0.00 C ATOM 319 CG LEU A 26 -10.739 3.121 2.279 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.843 4.646 2.306 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.552 2.614 3.101 1.00 0.00 C ATOM 0 H LEU A 26 -14.151 1.641 3.783 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.376 3.858 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.797 1.604 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.575 2.101 1.866 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.564 2.830 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.901 5.081 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.647 4.968 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.055 4.978 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.637 3.091 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.708 2.855 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.465 1.534 2.986 1.00 0.00 H new ATOM 333 N GLN A 27 -13.563 4.304 1.390 1.00 0.00 N ATOM 334 CA GLN A 27 -14.131 5.277 0.473 1.00 0.00 C ATOM 335 C GLN A 27 -15.572 5.606 0.875 1.00 0.00 C ATOM 336 O GLN A 27 -16.099 6.652 0.501 1.00 0.00 O ATOM 337 CB GLN A 27 -14.066 4.772 -0.970 1.00 0.00 C ATOM 338 CG GLN A 27 -12.640 4.871 -1.520 1.00 0.00 C ATOM 339 CD GLN A 27 -12.237 6.329 -1.738 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.371 6.884 -2.817 1.00 0.00 O ATOM 341 NE2 GLN A 27 -11.734 6.920 -0.658 1.00 0.00 N ATOM 0 H GLN A 27 -13.118 3.504 0.941 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.540 6.191 0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.406 3.737 -1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.742 5.356 -1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.945 4.398 -0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.571 4.326 -2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.649 6.400 0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.434 7.894 -0.703 1.00 0.00 H new ATOM 350 N ALA A 28 -16.166 4.692 1.626 1.00 0.00 N ATOM 351 CA ALA A 28 -17.533 4.873 2.081 1.00 0.00 C ATOM 352 C ALA A 28 -18.469 4.894 0.871 1.00 0.00 C ATOM 353 O ALA A 28 -19.612 5.338 0.975 1.00 0.00 O ATOM 354 CB ALA A 28 -17.630 6.150 2.917 1.00 0.00 C ATOM 0 H ALA A 28 -15.726 3.824 1.931 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.838 4.044 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.657 6.285 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.969 6.071 3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.334 7.006 2.310 1.00 0.00 H new ATOM 360 N GLY A 29 -17.951 4.408 -0.245 1.00 0.00 N ATOM 361 CA GLY A 29 -18.727 4.366 -1.475 1.00 0.00 C ATOM 362 C GLY A 29 -17.996 5.084 -2.609 1.00 0.00 C ATOM 363 O GLY A 29 -18.420 5.023 -3.762 1.00 0.00 O ATOM 0 H GLY A 29 -17.003 4.039 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.913 3.330 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.699 4.832 -1.312 1.00 0.00 H new ATOM 367 N THR A 30 -16.909 5.746 -2.244 1.00 0.00 N ATOM 368 CA THR A 30 -16.114 6.474 -3.219 1.00 0.00 C ATOM 369 C THR A 30 -15.183 5.520 -3.970 1.00 0.00 C ATOM 370 O THR A 30 -15.403 4.310 -3.974 1.00 0.00 O ATOM 371 CB THR A 30 -15.371 7.592 -2.482 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.274 7.990 -1.452 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.207 8.848 -3.338 1.00 0.00 C ATOM 0 H THR A 30 -16.559 5.794 -1.287 1.00 0.00 H new ATOM 0 HA THR A 30 -16.745 6.929 -3.982 1.00 0.00 H new ATOM 0 HB THR A 30 -14.390 7.232 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.920 7.712 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.674 9.609 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.641 8.604 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.189 9.227 -3.620 1.00 0.00 H new ATOM 381 N ALA A 31 -14.166 6.100 -4.587 1.00 0.00 N ATOM 382 CA ALA A 31 -13.201 5.315 -5.340 1.00 0.00 C ATOM 383 C ALA A 31 -11.809 5.923 -5.166 1.00 0.00 C ATOM 384 O ALA A 31 -11.594 7.094 -5.477 1.00 0.00 O ATOM 385 CB ALA A 31 -13.631 5.252 -6.807 1.00 0.00 C ATOM 0 H ALA A 31 -13.988 7.104 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.162 4.292 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.909 4.664 -7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.614 4.786 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.677 6.261 -7.216 1.00 0.00 H new ATOM 391 N TYR A 32 -10.897 5.101 -4.669 1.00 0.00 N ATOM 392 CA TYR A 32 -9.530 5.542 -4.448 1.00 0.00 C ATOM 393 C TYR A 32 -8.537 4.643 -5.187 1.00 0.00 C ATOM 394 O TYR A 32 -8.930 3.651 -5.800 1.00 0.00 O ATOM 395 CB TYR A 32 -9.285 5.424 -2.942 1.00 0.00 C ATOM 396 CG TYR A 32 -9.380 6.752 -2.190 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.033 7.823 -2.763 1.00 0.00 C ATOM 398 CD2 TYR A 32 -8.812 6.877 -0.938 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.124 9.074 -2.054 1.00 0.00 C ATOM 400 CE2 TYR A 32 -8.902 8.128 -0.228 1.00 0.00 C ATOM 401 CZ TYR A 32 -9.553 9.164 -0.822 1.00 0.00 C ATOM 402 OH TYR A 32 -9.638 10.345 -0.152 1.00 0.00 O ATOM 0 H TYR A 32 -11.078 4.130 -4.413 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.392 6.559 -4.815 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -10.009 4.727 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.296 4.995 -2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.476 7.724 -3.743 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.300 6.038 -0.491 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.633 9.921 -2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.463 8.240 0.752 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.408 10.204 0.790 1.00 0.00 H new ATOM 412 N ASP A 33 -7.270 5.021 -5.103 1.00 0.00 N ATOM 413 CA ASP A 33 -6.219 4.259 -5.758 1.00 0.00 C ATOM 414 C ASP A 33 -5.510 3.384 -4.722 1.00 0.00 C ATOM 415 O ASP A 33 -5.045 3.882 -3.697 1.00 0.00 O ATOM 416 CB ASP A 33 -5.175 5.187 -6.384 1.00 0.00 C ATOM 417 CG ASP A 33 -4.444 4.612 -7.599 1.00 0.00 C ATOM 418 OD1 ASP A 33 -3.447 5.241 -8.012 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.900 3.556 -8.087 1.00 0.00 O ATOM 0 H ASP A 33 -6.947 5.843 -4.593 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.678 3.652 -6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.666 6.114 -6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.438 5.445 -5.624 1.00 0.00 H new ATOM 425 N VAL A 34 -5.447 2.096 -5.025 1.00 0.00 N ATOM 426 CA VAL A 34 -4.801 1.148 -4.135 1.00 0.00 C ATOM 427 C VAL A 34 -3.303 1.109 -4.434 1.00 0.00 C ATOM 428 O VAL A 34 -2.898 1.148 -5.595 1.00 0.00 O ATOM 429 CB VAL A 34 -5.471 -0.222 -4.255 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.471 -1.283 -4.716 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.133 -0.629 -2.936 1.00 0.00 C ATOM 0 H VAL A 34 -5.833 1.687 -5.876 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.915 1.462 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.252 -0.146 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.973 -2.247 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.068 -1.005 -5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.657 -1.354 -3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.601 -1.607 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.379 -0.677 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.891 0.107 -2.667 1.00 0.00 H new ATOM 441 N GLY A 35 -2.519 1.033 -3.369 1.00 0.00 N ATOM 442 CA GLY A 35 -1.073 0.989 -3.504 1.00 0.00 C ATOM 443 C GLY A 35 -0.393 1.067 -2.136 1.00 0.00 C ATOM 444 O GLY A 35 -0.914 1.692 -1.215 1.00 0.00 O ATOM 0 H GLY A 35 -2.858 1.001 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.779 0.069 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.737 1.816 -4.129 1.00 0.00 H new ATOM 448 N GLN A 36 0.763 0.423 -2.049 1.00 0.00 N ATOM 449 CA GLN A 36 1.520 0.414 -0.809 1.00 0.00 C ATOM 450 C GLN A 36 2.524 1.569 -0.790 1.00 0.00 C ATOM 451 O GLN A 36 3.516 1.547 -1.515 1.00 0.00 O ATOM 452 CB GLN A 36 2.228 -0.929 -0.611 1.00 0.00 C ATOM 453 CG GLN A 36 3.455 -1.043 -1.518 1.00 0.00 C ATOM 454 CD GLN A 36 3.371 -2.292 -2.396 1.00 0.00 C ATOM 455 OE1 GLN A 36 4.009 -2.182 -3.559 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 2.771 -3.293 -2.042 1.00 0.00 N flip ATOM 0 H GLN A 36 1.192 -0.095 -2.816 1.00 0.00 H new ATOM 0 HA GLN A 36 0.825 0.549 0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.531 -1.034 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.536 -1.744 -0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.531 -0.156 -2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.359 -1.081 -0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.302 -3.313 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.738 -4.110 -2.651 1.00 0.00 H new ATOM 465 N CYS A 37 2.228 2.552 0.049 1.00 0.00 N ATOM 466 CA CYS A 37 3.093 3.714 0.171 1.00 0.00 C ATOM 467 C CYS A 37 3.814 3.637 1.519 1.00 0.00 C ATOM 468 O CYS A 37 3.274 3.098 2.484 1.00 0.00 O ATOM 469 CB CYS A 37 2.308 5.020 0.016 1.00 0.00 C ATOM 470 SG CYS A 37 3.275 6.421 -0.654 1.00 0.00 S ATOM 0 H CYS A 37 1.404 2.568 0.649 1.00 0.00 H new ATOM 0 HA CYS A 37 3.829 3.710 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.455 4.839 -0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.908 5.305 0.989 1.00 0.00 H new ATOM 475 N ALA A 38 5.020 4.183 1.541 1.00 0.00 N ATOM 476 CA ALA A 38 5.819 4.183 2.752 1.00 0.00 C ATOM 477 C ALA A 38 7.088 5.006 2.522 1.00 0.00 C ATOM 478 O ALA A 38 7.541 5.152 1.387 1.00 0.00 O ATOM 479 CB ALA A 38 6.128 2.740 3.161 1.00 0.00 C ATOM 0 H ALA A 38 5.463 4.629 0.738 1.00 0.00 H new ATOM 0 HA ALA A 38 5.270 4.645 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.728 2.740 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.195 2.205 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.681 2.246 2.362 1.00 0.00 H new ATOM 485 N TRP A 39 7.627 5.524 3.616 1.00 0.00 N ATOM 486 CA TRP A 39 8.835 6.330 3.548 1.00 0.00 C ATOM 487 C TRP A 39 9.959 5.450 3.001 1.00 0.00 C ATOM 488 O TRP A 39 10.356 4.475 3.638 1.00 0.00 O ATOM 489 CB TRP A 39 9.163 6.942 4.911 1.00 0.00 C ATOM 490 CG TRP A 39 9.081 5.951 6.074 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.996 5.588 6.771 1.00 0.00 C ATOM 492 CD2 TRP A 39 10.175 5.209 6.650 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.311 4.668 7.752 1.00 0.00 N ATOM 494 CE2 TRP A 39 9.678 4.430 7.675 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.542 5.193 6.315 1.00 0.00 C ATOM 496 CZ2 TRP A 39 10.478 3.580 8.449 1.00 0.00 C ATOM 497 CZ3 TRP A 39 12.326 4.340 7.098 1.00 0.00 C ATOM 498 CH2 TRP A 39 11.840 3.549 8.135 1.00 0.00 C ATOM 0 H TRP A 39 7.249 5.401 4.555 1.00 0.00 H new ATOM 0 HA TRP A 39 8.697 7.177 2.875 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.168 7.363 4.876 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.477 7.768 5.102 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.001 5.967 6.589 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.660 4.242 8.412 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.953 5.792 5.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.065 2.980 9.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.383 4.292 6.883 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.512 2.915 8.694 1.00 0.00 H new ATOM 509 N VAL A 40 10.442 5.825 1.825 1.00 0.00 N ATOM 510 CA VAL A 40 11.514 5.082 1.184 1.00 0.00 C ATOM 511 C VAL A 40 12.848 5.778 1.462 1.00 0.00 C ATOM 512 O VAL A 40 13.848 5.120 1.742 1.00 0.00 O ATOM 513 CB VAL A 40 11.221 4.923 -0.308 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.882 6.042 -1.118 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.663 3.548 -0.813 1.00 0.00 C ATOM 0 H VAL A 40 10.110 6.634 1.299 1.00 0.00 H new ATOM 0 HA VAL A 40 11.581 4.075 1.596 1.00 0.00 H new ATOM 0 HB VAL A 40 10.142 4.999 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.658 5.906 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.498 7.007 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.961 6.011 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.442 3.463 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.735 3.429 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.127 2.771 -0.268 1.00 0.00 H new ATOM 525 N ASP A 41 12.819 7.099 1.372 1.00 0.00 N ATOM 526 CA ASP A 41 14.012 7.891 1.610 1.00 0.00 C ATOM 527 C ASP A 41 14.168 8.134 3.114 1.00 0.00 C ATOM 528 O ASP A 41 13.687 7.347 3.925 1.00 0.00 O ATOM 529 CB ASP A 41 13.919 9.253 0.918 1.00 0.00 C ATOM 530 CG ASP A 41 15.222 9.754 0.294 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.650 10.863 0.685 1.00 0.00 O ATOM 532 OD2 ASP A 41 15.762 9.018 -0.559 1.00 0.00 O ATOM 0 H ASP A 41 11.987 7.641 1.137 1.00 0.00 H new ATOM 0 HA ASP A 41 14.865 7.342 1.210 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.159 9.196 0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.575 9.990 1.644 1.00 0.00 H new ATOM 538 N THR A 42 14.844 9.227 3.437 1.00 0.00 N ATOM 539 CA THR A 42 15.068 9.585 4.827 1.00 0.00 C ATOM 540 C THR A 42 13.792 10.160 5.443 1.00 0.00 C ATOM 541 O THR A 42 13.797 11.276 5.961 1.00 0.00 O ATOM 542 CB THR A 42 16.257 10.544 4.883 1.00 0.00 C ATOM 543 OG1 THR A 42 16.624 10.562 6.261 1.00 0.00 O ATOM 544 CG2 THR A 42 15.857 11.992 4.585 1.00 0.00 C ATOM 0 H THR A 42 15.244 9.876 2.760 1.00 0.00 H new ATOM 0 HA THR A 42 15.312 8.708 5.426 1.00 0.00 H new ATOM 0 HB THR A 42 17.016 10.223 4.169 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.390 11.160 6.388 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.738 12.631 4.638 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.425 12.052 3.586 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.123 12.325 5.319 1.00 0.00 H new ATOM 552 N GLY A 43 12.728 9.374 5.366 1.00 0.00 N ATOM 553 CA GLY A 43 11.446 9.793 5.909 1.00 0.00 C ATOM 554 C GLY A 43 10.539 10.348 4.810 1.00 0.00 C ATOM 555 O GLY A 43 9.417 10.771 5.080 1.00 0.00 O ATOM 0 H GLY A 43 12.727 8.449 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.959 8.947 6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.602 10.553 6.674 1.00 0.00 H new ATOM 559 N VAL A 44 11.058 10.326 3.591 1.00 0.00 N ATOM 560 CA VAL A 44 10.310 10.821 2.449 1.00 0.00 C ATOM 561 C VAL A 44 9.297 9.761 2.011 1.00 0.00 C ATOM 562 O VAL A 44 9.678 8.688 1.542 1.00 0.00 O ATOM 563 CB VAL A 44 11.271 11.228 1.329 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.527 11.945 0.201 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.409 12.094 1.872 1.00 0.00 C ATOM 0 H VAL A 44 11.989 9.972 3.370 1.00 0.00 H new ATOM 0 HA VAL A 44 9.749 11.716 2.719 1.00 0.00 H new ATOM 0 HB VAL A 44 11.709 10.319 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.233 12.223 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.768 11.281 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.049 12.842 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.078 12.370 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.996 12.996 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.965 11.534 2.624 1.00 0.00 H new ATOM 575 N LEU A 45 8.026 10.098 2.177 1.00 0.00 N ATOM 576 CA LEU A 45 6.957 9.189 1.805 1.00 0.00 C ATOM 577 C LEU A 45 7.064 8.862 0.313 1.00 0.00 C ATOM 578 O LEU A 45 6.717 9.684 -0.532 1.00 0.00 O ATOM 579 CB LEU A 45 5.598 9.764 2.211 1.00 0.00 C ATOM 580 CG LEU A 45 4.765 8.910 3.166 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.274 7.636 2.477 1.00 0.00 C ATOM 582 CD2 LEU A 45 5.543 8.604 4.448 1.00 0.00 C ATOM 0 H LEU A 45 7.713 10.988 2.564 1.00 0.00 H new ATOM 0 HA LEU A 45 7.055 8.248 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.762 10.737 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.014 9.936 1.307 1.00 0.00 H new ATOM 0 HG LEU A 45 3.882 9.481 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.684 7.047 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.657 7.901 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.130 7.050 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.928 7.995 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.455 8.061 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.801 9.537 4.949 1.00 0.00 H new ATOM 594 N ALA A 46 7.552 7.661 0.037 1.00 0.00 N ATOM 595 CA ALA A 46 7.710 7.216 -1.336 1.00 0.00 C ATOM 596 C ALA A 46 6.772 6.036 -1.598 1.00 0.00 C ATOM 597 O ALA A 46 6.682 5.118 -0.783 1.00 0.00 O ATOM 598 CB ALA A 46 9.177 6.864 -1.592 1.00 0.00 C ATOM 0 H ALA A 46 7.843 6.983 0.741 1.00 0.00 H new ATOM 0 HA ALA A 46 7.439 8.011 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.296 6.530 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.797 7.744 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.484 6.067 -0.914 1.00 0.00 H new ATOM 604 N CYS A 47 6.099 6.098 -2.737 1.00 0.00 N ATOM 605 CA CYS A 47 5.172 5.045 -3.117 1.00 0.00 C ATOM 606 C CYS A 47 5.859 4.148 -4.148 1.00 0.00 C ATOM 607 O CYS A 47 6.781 4.583 -4.837 1.00 0.00 O ATOM 608 CB CYS A 47 3.854 5.615 -3.642 1.00 0.00 C ATOM 609 SG CYS A 47 3.081 6.880 -2.567 1.00 0.00 S ATOM 0 H CYS A 47 6.177 6.861 -3.410 1.00 0.00 H new ATOM 0 HA CYS A 47 4.911 4.452 -2.240 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.030 6.052 -4.625 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.149 4.795 -3.779 1.00 0.00 H new ATOM 614 N ASN A 48 5.382 2.914 -4.224 1.00 0.00 N ATOM 615 CA ASN A 48 5.939 1.952 -5.160 1.00 0.00 C ATOM 616 C ASN A 48 5.259 2.119 -6.519 1.00 0.00 C ATOM 617 O ASN A 48 4.220 2.771 -6.622 1.00 0.00 O ATOM 618 CB ASN A 48 5.701 0.519 -4.684 1.00 0.00 C ATOM 619 CG ASN A 48 6.030 0.373 -3.197 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.676 1.414 -2.680 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 5.720 -0.620 -2.559 1.00 0.00 N flip ATOM 0 H ASN A 48 4.616 2.558 -3.652 1.00 0.00 H new ATOM 0 HA ASN A 48 7.011 2.133 -5.233 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.661 0.242 -4.859 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.316 -0.168 -5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.224 -1.385 -3.016 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.957 -0.684 -1.569 1.00 0.00 H new ATOM 628 N PRO A 49 5.885 1.501 -7.555 1.00 0.00 N ATOM 629 CA PRO A 49 5.349 1.574 -8.905 1.00 0.00 C ATOM 630 C PRO A 49 4.126 0.668 -9.060 1.00 0.00 C ATOM 631 O PRO A 49 3.428 0.728 -10.070 1.00 0.00 O ATOM 632 CB PRO A 49 6.504 1.173 -9.808 1.00 0.00 C ATOM 633 CG PRO A 49 7.498 0.445 -8.917 1.00 0.00 C ATOM 634 CD PRO A 49 7.115 0.720 -7.471 1.00 0.00 C ATOM 0 HA PRO A 49 4.987 2.570 -9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.161 0.529 -10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.961 2.048 -10.269 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.480 -0.626 -9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.513 0.790 -9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.958 -0.207 -6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.899 1.271 -6.952 1.00 0.00 H new ATOM 642 N ALA A 50 3.905 -0.152 -8.042 1.00 0.00 N ATOM 643 CA ALA A 50 2.779 -1.070 -8.052 1.00 0.00 C ATOM 644 C ALA A 50 1.698 -0.555 -7.097 1.00 0.00 C ATOM 645 O ALA A 50 0.775 -1.288 -6.746 1.00 0.00 O ATOM 646 CB ALA A 50 3.261 -2.473 -7.685 1.00 0.00 C ATOM 0 H ALA A 50 4.487 -0.199 -7.205 1.00 0.00 H new ATOM 0 HA ALA A 50 2.339 -1.127 -9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.416 -3.162 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.005 -2.803 -8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.706 -2.456 -6.690 1.00 0.00 H new ATOM 652 N ASP A 51 1.851 0.700 -6.703 1.00 0.00 N ATOM 653 CA ASP A 51 0.900 1.320 -5.794 1.00 0.00 C ATOM 654 C ASP A 51 -0.240 1.939 -6.603 1.00 0.00 C ATOM 655 O ASP A 51 -1.092 2.633 -6.052 1.00 0.00 O ATOM 656 CB ASP A 51 1.563 2.435 -4.983 1.00 0.00 C ATOM 657 CG ASP A 51 0.658 3.628 -4.663 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.209 3.704 -3.501 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.436 4.435 -5.592 1.00 0.00 O ATOM 0 H ASP A 51 2.618 1.305 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 51 0.529 0.551 -5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.929 2.014 -4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.433 2.795 -5.532 1.00 0.00 H new ATOM 665 N PHE A 52 -0.222 1.664 -7.899 1.00 0.00 N ATOM 666 CA PHE A 52 -1.246 2.185 -8.790 1.00 0.00 C ATOM 667 C PHE A 52 -2.227 1.084 -9.199 1.00 0.00 C ATOM 668 O PHE A 52 -2.015 0.400 -10.200 1.00 0.00 O ATOM 669 CB PHE A 52 -0.529 2.703 -10.039 1.00 0.00 C ATOM 670 CG PHE A 52 0.830 3.345 -9.753 1.00 0.00 C ATOM 671 CD1 PHE A 52 0.946 4.290 -8.782 1.00 0.00 C ATOM 672 CD2 PHE A 52 1.922 2.971 -10.473 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.209 4.886 -8.519 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.184 3.567 -10.209 1.00 0.00 C ATOM 675 CZ PHE A 52 3.301 4.511 -9.238 1.00 0.00 C ATOM 0 H PHE A 52 0.486 1.087 -8.354 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.811 2.971 -8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.390 1.876 -10.735 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.168 3.434 -10.536 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.079 4.587 -8.211 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.829 2.221 -11.245 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.302 5.637 -7.748 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.051 3.270 -10.780 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.261 4.963 -9.037 1.00 0.00 H new ATOM 685 N SER A 53 -3.279 0.948 -8.407 1.00 0.00 N ATOM 686 CA SER A 53 -4.294 -0.058 -8.675 1.00 0.00 C ATOM 687 C SER A 53 -5.670 0.465 -8.262 1.00 0.00 C ATOM 688 O SER A 53 -6.139 0.186 -7.158 1.00 0.00 O ATOM 689 CB SER A 53 -3.979 -1.364 -7.943 1.00 0.00 C ATOM 690 OG SER A 53 -3.809 -2.453 -8.848 1.00 0.00 O ATOM 0 H SER A 53 -3.452 1.518 -7.579 1.00 0.00 H new ATOM 0 HA SER A 53 -4.299 -0.265 -9.745 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.072 -1.239 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.785 -1.593 -7.246 1.00 0.00 H new ATOM 0 HG SER A 53 -2.907 -2.823 -8.749 1.00 0.00 H new ATOM 696 N SER A 54 -6.280 1.215 -9.168 1.00 0.00 N ATOM 697 CA SER A 54 -7.595 1.779 -8.911 1.00 0.00 C ATOM 698 C SER A 54 -8.411 0.825 -8.036 1.00 0.00 C ATOM 699 O SER A 54 -8.314 -0.391 -8.181 1.00 0.00 O ATOM 700 CB SER A 54 -8.336 2.066 -10.218 1.00 0.00 C ATOM 701 OG SER A 54 -9.714 2.355 -9.998 1.00 0.00 O ATOM 0 H SER A 54 -5.888 1.445 -10.081 1.00 0.00 H new ATOM 0 HA SER A 54 -7.465 2.724 -8.384 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.865 2.909 -10.724 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.247 1.206 -10.881 1.00 0.00 H new ATOM 0 HG SER A 54 -10.152 2.534 -10.856 1.00 0.00 H new ATOM 707 N VAL A 55 -9.198 1.415 -7.147 1.00 0.00 N ATOM 708 CA VAL A 55 -10.032 0.634 -6.248 1.00 0.00 C ATOM 709 C VAL A 55 -11.266 1.453 -5.867 1.00 0.00 C ATOM 710 O VAL A 55 -11.210 2.679 -5.810 1.00 0.00 O ATOM 711 CB VAL A 55 -9.213 0.183 -5.039 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.200 1.262 -3.953 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.739 -1.143 -4.485 1.00 0.00 C ATOM 0 H VAL A 55 -9.276 2.425 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.385 -0.273 -6.740 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.186 0.026 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.611 0.916 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.759 2.175 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.221 1.464 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.139 -1.442 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.778 -1.023 -4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.675 -1.910 -5.256 1.00 0.00 H new ATOM 723 N THR A 56 -12.353 0.739 -5.614 1.00 0.00 N ATOM 724 CA THR A 56 -13.601 1.381 -5.239 1.00 0.00 C ATOM 725 C THR A 56 -14.267 0.623 -4.088 1.00 0.00 C ATOM 726 O THR A 56 -14.279 -0.608 -4.073 1.00 0.00 O ATOM 727 CB THR A 56 -14.477 1.482 -6.487 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.165 2.762 -7.030 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.968 1.570 -6.154 1.00 0.00 C ATOM 0 H THR A 56 -12.395 -0.279 -5.661 1.00 0.00 H new ATOM 0 HA THR A 56 -13.428 2.390 -4.865 1.00 0.00 H new ATOM 0 HB THR A 56 -14.300 0.615 -7.124 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.735 2.935 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.543 1.640 -7.077 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.271 0.679 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.153 2.454 -5.543 1.00 0.00 H new ATOM 737 N ALA A 57 -14.805 1.388 -3.149 1.00 0.00 N ATOM 738 CA ALA A 57 -15.471 0.805 -1.999 1.00 0.00 C ATOM 739 C ALA A 57 -16.985 0.964 -2.154 1.00 0.00 C ATOM 740 O ALA A 57 -17.462 2.024 -2.555 1.00 0.00 O ATOM 741 CB ALA A 57 -14.945 1.456 -0.720 1.00 0.00 C ATOM 0 H ALA A 57 -14.792 2.408 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.258 -0.262 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.445 1.018 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.871 1.288 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.143 2.527 -0.749 1.00 0.00 H new ATOM 747 N ASP A 58 -17.697 -0.106 -1.834 1.00 0.00 N ATOM 748 CA ASP A 58 -19.147 -0.096 -1.933 1.00 0.00 C ATOM 749 C ASP A 58 -19.708 1.017 -1.046 1.00 0.00 C ATOM 750 O ASP A 58 -19.019 1.515 -0.157 1.00 0.00 O ATOM 751 CB ASP A 58 -19.739 -1.424 -1.458 1.00 0.00 C ATOM 752 CG ASP A 58 -18.906 -2.661 -1.796 1.00 0.00 C ATOM 753 OD1 ASP A 58 -19.270 -3.746 -1.288 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.925 -2.497 -2.551 1.00 0.00 O ATOM 0 H ASP A 58 -17.298 -0.985 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.413 0.065 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.873 -1.379 -0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.730 -1.541 -1.897 1.00 0.00 H new ATOM 760 N ALA A 59 -20.956 1.373 -1.318 1.00 0.00 N ATOM 761 CA ALA A 59 -21.618 2.418 -0.555 1.00 0.00 C ATOM 762 C ALA A 59 -21.190 2.323 0.911 1.00 0.00 C ATOM 763 O ALA A 59 -21.014 3.340 1.578 1.00 0.00 O ATOM 764 CB ALA A 59 -23.131 2.296 -0.729 1.00 0.00 C ATOM 0 H ALA A 59 -21.525 0.957 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.326 3.403 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.627 3.080 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.386 2.400 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.461 1.321 -0.371 1.00 0.00 H new ATOM 770 N ASN A 60 -21.035 1.090 1.370 1.00 0.00 N ATOM 771 CA ASN A 60 -20.631 0.848 2.744 1.00 0.00 C ATOM 772 C ASN A 60 -19.103 0.841 2.830 1.00 0.00 C ATOM 773 O ASN A 60 -18.522 0.045 3.565 1.00 0.00 O ATOM 774 CB ASN A 60 -21.138 -0.509 3.236 1.00 0.00 C ATOM 775 CG ASN A 60 -21.010 -0.623 4.757 1.00 0.00 C ATOM 776 OD1 ASN A 60 -21.252 0.314 5.499 1.00 0.00 O ATOM 777 ND2 ASN A 60 -20.619 -1.824 5.179 1.00 0.00 N ATOM 0 H ASN A 60 -21.182 0.247 0.814 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.055 1.638 3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.180 -0.640 2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.571 -1.308 2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.506 -2.002 6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.433 -2.566 4.504 1.00 0.00 H new ATOM 784 N GLY A 61 -18.496 1.737 2.067 1.00 0.00 N ATOM 785 CA GLY A 61 -17.047 1.846 2.045 1.00 0.00 C ATOM 786 C GLY A 61 -16.394 0.461 2.062 1.00 0.00 C ATOM 787 O GLY A 61 -15.373 0.261 2.718 1.00 0.00 O ATOM 0 H GLY A 61 -18.982 2.396 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.733 2.390 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.709 2.422 2.906 1.00 0.00 H new ATOM 791 N SER A 62 -17.010 -0.457 1.333 1.00 0.00 N ATOM 792 CA SER A 62 -16.502 -1.816 1.255 1.00 0.00 C ATOM 793 C SER A 62 -15.595 -1.966 0.032 1.00 0.00 C ATOM 794 O SER A 62 -16.070 -2.245 -1.067 1.00 0.00 O ATOM 795 CB SER A 62 -17.646 -2.829 1.194 1.00 0.00 C ATOM 796 OG SER A 62 -18.888 -2.259 1.598 1.00 0.00 O ATOM 0 H SER A 62 -17.857 -0.287 0.791 1.00 0.00 H new ATOM 0 HA SER A 62 -15.923 -2.017 2.156 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.737 -3.212 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.412 -3.679 1.835 1.00 0.00 H new ATOM 0 HG SER A 62 -19.593 -2.938 1.543 1.00 0.00 H new ATOM 802 N ALA A 63 -14.303 -1.777 0.265 1.00 0.00 N ATOM 803 CA ALA A 63 -13.326 -1.887 -0.804 1.00 0.00 C ATOM 804 C ALA A 63 -12.542 -3.191 -0.638 1.00 0.00 C ATOM 805 O ALA A 63 -11.421 -3.184 -0.132 1.00 0.00 O ATOM 806 CB ALA A 63 -12.419 -0.657 -0.796 1.00 0.00 C ATOM 0 H ALA A 63 -13.911 -1.548 1.179 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.821 -1.920 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.686 -0.740 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.021 0.240 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.903 -0.592 0.162 1.00 0.00 H new ATOM 812 N SER A 64 -13.163 -4.277 -1.073 1.00 0.00 N ATOM 813 CA SER A 64 -12.537 -5.584 -0.979 1.00 0.00 C ATOM 814 C SER A 64 -11.756 -5.885 -2.259 1.00 0.00 C ATOM 815 O SER A 64 -12.220 -6.642 -3.113 1.00 0.00 O ATOM 816 CB SER A 64 -13.576 -6.678 -0.724 1.00 0.00 C ATOM 817 OG SER A 64 -14.696 -6.565 -1.599 1.00 0.00 O ATOM 0 H SER A 64 -14.093 -4.278 -1.491 1.00 0.00 H new ATOM 0 HA SER A 64 -11.848 -5.570 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.112 -7.656 -0.853 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.916 -6.621 0.310 1.00 0.00 H new ATOM 0 HG SER A 64 -14.386 -6.568 -2.529 1.00 0.00 H new ATOM 823 N THR A 65 -10.582 -5.276 -2.357 1.00 0.00 N ATOM 824 CA THR A 65 -9.734 -5.469 -3.520 1.00 0.00 C ATOM 825 C THR A 65 -8.505 -6.302 -3.150 1.00 0.00 C ATOM 826 O THR A 65 -7.991 -6.198 -2.038 1.00 0.00 O ATOM 827 CB THR A 65 -9.386 -4.089 -4.084 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.980 -4.356 -5.425 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.142 -3.487 -3.431 1.00 0.00 C ATOM 0 H THR A 65 -10.199 -4.649 -1.649 1.00 0.00 H new ATOM 0 HA THR A 65 -10.249 -6.034 -4.297 1.00 0.00 H new ATOM 0 HB THR A 65 -10.231 -3.415 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.321 -3.687 -5.707 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.939 -2.509 -3.867 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.310 -3.379 -2.359 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.288 -4.143 -3.600 1.00 0.00 H new ATOM 837 N SER A 66 -8.067 -7.108 -4.107 1.00 0.00 N ATOM 838 CA SER A 66 -6.908 -7.958 -3.895 1.00 0.00 C ATOM 839 C SER A 66 -5.706 -7.404 -4.664 1.00 0.00 C ATOM 840 O SER A 66 -5.868 -6.787 -5.714 1.00 0.00 O ATOM 841 CB SER A 66 -7.196 -9.398 -4.327 1.00 0.00 C ATOM 842 OG SER A 66 -7.138 -9.553 -5.744 1.00 0.00 O ATOM 0 H SER A 66 -8.494 -7.190 -5.030 1.00 0.00 H new ATOM 0 HA SER A 66 -6.678 -7.965 -2.830 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.475 -10.068 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.183 -9.693 -3.970 1.00 0.00 H new ATOM 0 HG SER A 66 -7.326 -10.486 -5.979 1.00 0.00 H new ATOM 848 N LEU A 67 -4.528 -7.645 -4.108 1.00 0.00 N ATOM 849 CA LEU A 67 -3.299 -7.178 -4.728 1.00 0.00 C ATOM 850 C LEU A 67 -2.148 -8.105 -4.330 1.00 0.00 C ATOM 851 O LEU A 67 -2.327 -9.007 -3.513 1.00 0.00 O ATOM 852 CB LEU A 67 -3.052 -5.707 -4.383 1.00 0.00 C ATOM 853 CG LEU A 67 -2.927 -4.752 -5.573 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.742 -5.138 -6.461 1.00 0.00 C ATOM 855 CD2 LEU A 67 -4.236 -4.684 -6.361 1.00 0.00 C ATOM 0 H LEU A 67 -4.398 -8.157 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.380 -7.218 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.868 -5.361 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.139 -5.641 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.731 -3.751 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.674 -4.445 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.822 -5.094 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.885 -6.151 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.120 -3.999 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.488 -5.677 -6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.035 -4.328 -5.710 1.00 0.00 H new ATOM 867 N THR A 68 -0.992 -7.848 -4.924 1.00 0.00 N ATOM 868 CA THR A 68 0.187 -8.648 -4.641 1.00 0.00 C ATOM 869 C THR A 68 1.170 -7.859 -3.773 1.00 0.00 C ATOM 870 O THR A 68 1.425 -6.684 -4.030 1.00 0.00 O ATOM 871 CB THR A 68 0.782 -9.099 -5.977 1.00 0.00 C ATOM 872 OG1 THR A 68 -0.221 -9.940 -6.537 1.00 0.00 O ATOM 873 CG2 THR A 68 1.988 -10.023 -5.798 1.00 0.00 C ATOM 0 H THR A 68 -0.847 -7.098 -5.600 1.00 0.00 H new ATOM 0 HA THR A 68 -0.066 -9.537 -4.064 1.00 0.00 H new ATOM 0 HB THR A 68 1.078 -8.225 -6.557 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.082 -10.275 -7.407 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.372 -10.314 -6.776 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.767 -9.501 -5.243 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.685 -10.914 -5.248 1.00 0.00 H new ATOM 881 N VAL A 69 1.695 -8.540 -2.764 1.00 0.00 N ATOM 882 CA VAL A 69 2.644 -7.917 -1.856 1.00 0.00 C ATOM 883 C VAL A 69 4.061 -8.093 -2.407 1.00 0.00 C ATOM 884 O VAL A 69 4.725 -9.087 -2.118 1.00 0.00 O ATOM 885 CB VAL A 69 2.476 -8.493 -0.449 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.687 -8.163 0.427 1.00 0.00 C ATOM 887 CG2 VAL A 69 1.180 -7.993 0.196 1.00 0.00 C ATOM 0 H VAL A 69 1.482 -9.515 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 69 2.454 -6.846 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 69 2.411 -9.578 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.542 -8.584 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.586 -8.588 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.797 -7.081 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.084 -8.417 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.203 -6.905 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.329 -8.300 -0.412 1.00 0.00 H new ATOM 897 N ARG A 70 4.480 -7.112 -3.194 1.00 0.00 N ATOM 898 CA ARG A 70 5.806 -7.147 -3.789 1.00 0.00 C ATOM 899 C ARG A 70 6.763 -6.244 -3.004 1.00 0.00 C ATOM 900 O ARG A 70 7.185 -5.202 -3.501 1.00 0.00 O ATOM 901 CB ARG A 70 5.766 -6.687 -5.248 1.00 0.00 C ATOM 902 CG ARG A 70 4.687 -7.440 -6.030 1.00 0.00 C ATOM 903 CD ARG A 70 4.176 -6.602 -7.203 1.00 0.00 C ATOM 904 NE ARG A 70 4.309 -7.364 -8.464 1.00 0.00 N ATOM 905 CZ ARG A 70 3.913 -6.908 -9.661 1.00 0.00 C ATOM 906 NH1 ARG A 70 3.357 -5.694 -9.767 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.075 -7.668 -10.752 1.00 0.00 N ATOM 0 H ARG A 70 3.926 -6.290 -3.433 1.00 0.00 H new ATOM 0 HA ARG A 70 6.160 -8.177 -3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.570 -5.616 -5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.738 -6.852 -5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.092 -8.382 -6.400 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.858 -7.688 -5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.133 -6.331 -7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.740 -5.672 -7.269 1.00 0.00 H new ATOM 0 HE ARG A 70 4.728 -8.293 -8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.234 -5.115 -8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.056 -5.349 -10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.499 -8.592 -10.671 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.774 -7.323 -11.663 1.00 0.00 H new ATOM 921 N ARG A 71 7.076 -6.681 -1.792 1.00 0.00 N ATOM 922 CA ARG A 71 7.973 -5.926 -0.936 1.00 0.00 C ATOM 923 C ARG A 71 9.070 -5.261 -1.771 1.00 0.00 C ATOM 924 O ARG A 71 9.466 -4.130 -1.493 1.00 0.00 O ATOM 925 CB ARG A 71 8.620 -6.830 0.116 1.00 0.00 C ATOM 926 CG ARG A 71 8.669 -6.137 1.479 1.00 0.00 C ATOM 927 CD ARG A 71 8.013 -7.001 2.556 1.00 0.00 C ATOM 928 NE ARG A 71 8.434 -8.411 2.404 1.00 0.00 N ATOM 929 CZ ARG A 71 9.538 -8.930 2.959 1.00 0.00 C ATOM 930 NH1 ARG A 71 10.338 -8.157 3.708 1.00 0.00 N ATOM 931 NH2 ARG A 71 9.843 -10.219 2.764 1.00 0.00 N ATOM 0 H ARG A 71 6.724 -7.547 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 71 7.384 -5.162 -0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.057 -7.760 0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.630 -7.094 -0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.705 -5.934 1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.161 -5.174 1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.290 -6.635 3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.928 -6.927 2.481 1.00 0.00 H new ATOM 0 HE ARG A 71 7.847 -9.027 1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.106 -7.175 3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.178 -8.551 4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.235 -10.806 2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.683 -10.614 3.186 1.00 0.00 H new ATOM 945 N SER A 72 9.529 -5.990 -2.775 1.00 0.00 N ATOM 946 CA SER A 72 10.572 -5.486 -3.652 1.00 0.00 C ATOM 947 C SER A 72 9.972 -4.528 -4.683 1.00 0.00 C ATOM 948 O SER A 72 9.239 -4.952 -5.576 1.00 0.00 O ATOM 949 CB SER A 72 11.305 -6.630 -4.355 1.00 0.00 C ATOM 950 OG SER A 72 10.400 -7.596 -4.888 1.00 0.00 O ATOM 0 H SER A 72 9.198 -6.928 -3.002 1.00 0.00 H new ATOM 0 HA SER A 72 11.298 -4.947 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.920 -6.227 -5.159 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.980 -7.115 -3.650 1.00 0.00 H new ATOM 0 HG SER A 72 10.714 -8.497 -4.663 1.00 0.00 H new ATOM 956 N PHE A 73 10.305 -3.255 -4.525 1.00 0.00 N ATOM 957 CA PHE A 73 9.805 -2.234 -5.431 1.00 0.00 C ATOM 958 C PHE A 73 10.707 -0.998 -5.412 1.00 0.00 C ATOM 959 O PHE A 73 11.297 -0.670 -4.383 1.00 0.00 O ATOM 960 CB PHE A 73 8.411 -1.841 -4.939 1.00 0.00 C ATOM 961 CG PHE A 73 8.371 -1.392 -3.478 1.00 0.00 C ATOM 962 CD1 PHE A 73 8.947 -0.214 -3.112 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.759 -2.167 -2.542 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.910 0.202 -1.755 1.00 0.00 C ATOM 965 CE2 PHE A 73 7.722 -1.750 -1.187 1.00 0.00 C ATOM 966 CZ PHE A 73 8.298 -0.573 -0.821 1.00 0.00 C ATOM 0 H PHE A 73 10.914 -2.908 -3.784 1.00 0.00 H new ATOM 0 HA PHE A 73 9.782 -2.620 -6.450 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.029 -1.036 -5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.739 -2.690 -5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.432 0.404 -3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.301 -3.101 -2.831 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.369 1.136 -1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.236 -2.367 -0.445 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.269 -0.255 0.211 1.00 0.00 H new ATOM 976 N GLU A 74 10.785 -0.345 -6.562 1.00 0.00 N ATOM 977 CA GLU A 74 11.605 0.849 -6.691 1.00 0.00 C ATOM 978 C GLU A 74 10.865 2.064 -6.131 1.00 0.00 C ATOM 979 O GLU A 74 10.306 2.859 -6.886 1.00 0.00 O ATOM 980 CB GLU A 74 12.014 1.079 -8.147 1.00 0.00 C ATOM 981 CG GLU A 74 12.961 2.273 -8.270 1.00 0.00 C ATOM 982 CD GLU A 74 13.140 2.687 -9.732 1.00 0.00 C ATOM 983 OE1 GLU A 74 12.865 1.830 -10.600 1.00 0.00 O ATOM 984 OE2 GLU A 74 13.545 3.848 -9.948 1.00 0.00 O ATOM 0 H GLU A 74 10.294 -0.619 -7.413 1.00 0.00 H new ATOM 0 HA GLU A 74 12.516 0.704 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.499 0.184 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.126 1.251 -8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.568 3.113 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.930 2.018 -7.840 1.00 0.00 H new ATOM 992 N GLY A 75 10.883 2.170 -4.811 1.00 0.00 N ATOM 993 CA GLY A 75 10.219 3.276 -4.141 1.00 0.00 C ATOM 994 C GLY A 75 10.377 4.574 -4.935 1.00 0.00 C ATOM 995 O GLY A 75 11.369 4.756 -5.639 1.00 0.00 O ATOM 0 H GLY A 75 11.346 1.509 -4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.160 3.048 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.636 3.404 -3.142 1.00 0.00 H new ATOM 999 N PHE A 76 9.385 5.442 -4.794 1.00 0.00 N ATOM 1000 CA PHE A 76 9.404 6.717 -5.489 1.00 0.00 C ATOM 1001 C PHE A 76 8.953 7.851 -4.566 1.00 0.00 C ATOM 1002 O PHE A 76 7.816 7.861 -4.097 1.00 0.00 O ATOM 1003 CB PHE A 76 8.418 6.603 -6.656 1.00 0.00 C ATOM 1004 CG PHE A 76 7.674 7.903 -6.970 1.00 0.00 C ATOM 1005 CD1 PHE A 76 6.520 8.202 -6.314 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.165 8.759 -7.905 1.00 0.00 C ATOM 1007 CE1 PHE A 76 5.830 9.407 -6.604 1.00 0.00 C ATOM 1008 CE2 PHE A 76 7.474 9.964 -8.196 1.00 0.00 C ATOM 1009 CZ PHE A 76 6.320 10.262 -7.540 1.00 0.00 C ATOM 0 H PHE A 76 8.564 5.287 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 76 10.415 6.941 -5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.959 6.282 -7.546 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.689 5.825 -6.428 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.129 7.521 -5.572 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.081 8.522 -8.426 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.915 9.645 -6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.864 10.644 -8.938 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.793 11.178 -7.763 1.00 0.00 H new ATOM 1019 N LEU A 77 9.870 8.780 -4.334 1.00 0.00 N ATOM 1020 CA LEU A 77 9.582 9.917 -3.476 1.00 0.00 C ATOM 1021 C LEU A 77 8.360 10.662 -4.016 1.00 0.00 C ATOM 1022 O LEU A 77 8.340 11.070 -5.178 1.00 0.00 O ATOM 1023 CB LEU A 77 10.821 10.799 -3.322 1.00 0.00 C ATOM 1024 CG LEU A 77 12.156 10.063 -3.179 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.274 11.027 -2.777 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.033 8.889 -2.206 1.00 0.00 C ATOM 0 H LEU A 77 10.812 8.768 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 77 9.331 9.581 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.883 11.458 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.684 11.434 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 77 12.423 9.649 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.211 10.478 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.381 11.799 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.028 11.492 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.995 8.383 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.731 9.259 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.285 8.187 -2.575 1.00 0.00 H new ATOM 1038 N PHE A 78 7.369 10.817 -3.149 1.00 0.00 N ATOM 1039 CA PHE A 78 6.147 11.507 -3.525 1.00 0.00 C ATOM 1040 C PHE A 78 6.449 12.911 -4.054 1.00 0.00 C ATOM 1041 O PHE A 78 5.673 13.465 -4.830 1.00 0.00 O ATOM 1042 CB PHE A 78 5.292 11.624 -2.262 1.00 0.00 C ATOM 1043 CG PHE A 78 4.292 12.780 -2.292 1.00 0.00 C ATOM 1044 CD1 PHE A 78 3.305 12.801 -3.227 1.00 0.00 C ATOM 1045 CD2 PHE A 78 4.387 13.788 -1.382 1.00 0.00 C ATOM 1046 CE1 PHE A 78 2.377 13.876 -3.255 1.00 0.00 C ATOM 1047 CE2 PHE A 78 3.460 14.861 -1.410 1.00 0.00 C ATOM 1048 CZ PHE A 78 2.473 14.882 -2.346 1.00 0.00 C ATOM 0 H PHE A 78 7.388 10.476 -2.188 1.00 0.00 H new ATOM 0 HA PHE A 78 5.636 10.954 -4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.748 10.691 -2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.949 11.748 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.227 12.001 -3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.169 13.771 -0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.594 13.894 -3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.538 15.661 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.766 15.698 -2.367 1.00 0.00 H new ATOM 1058 N ASP A 79 7.578 13.445 -3.610 1.00 0.00 N ATOM 1059 CA ASP A 79 7.991 14.773 -4.029 1.00 0.00 C ATOM 1060 C ASP A 79 7.976 14.851 -5.557 1.00 0.00 C ATOM 1061 O ASP A 79 7.421 15.787 -6.128 1.00 0.00 O ATOM 1062 CB ASP A 79 9.412 15.082 -3.554 1.00 0.00 C ATOM 1063 CG ASP A 79 9.911 16.493 -3.876 1.00 0.00 C ATOM 1064 OD1 ASP A 79 10.309 17.187 -2.918 1.00 0.00 O ATOM 1065 OD2 ASP A 79 9.881 16.844 -5.076 1.00 0.00 O ATOM 0 H ASP A 79 8.218 12.982 -2.965 1.00 0.00 H new ATOM 0 HA ASP A 79 7.299 15.494 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.458 14.934 -2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.094 14.361 -4.004 1.00 0.00 H new ATOM 1071 N GLY A 80 8.592 13.853 -6.175 1.00 0.00 N ATOM 1072 CA GLY A 80 8.657 13.796 -7.624 1.00 0.00 C ATOM 1073 C GLY A 80 9.835 12.940 -8.088 1.00 0.00 C ATOM 1074 O GLY A 80 9.821 12.402 -9.193 1.00 0.00 O ATOM 0 H GLY A 80 9.051 13.077 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.727 13.385 -8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.755 14.804 -8.027 1.00 0.00 H new ATOM 1078 N THR A 81 10.832 12.841 -7.218 1.00 0.00 N ATOM 1079 CA THR A 81 12.017 12.057 -7.526 1.00 0.00 C ATOM 1080 C THR A 81 11.832 10.608 -7.073 1.00 0.00 C ATOM 1081 O THR A 81 11.187 10.348 -6.058 1.00 0.00 O ATOM 1082 CB THR A 81 13.219 12.748 -6.876 1.00 0.00 C ATOM 1083 OG1 THR A 81 14.337 11.980 -7.311 1.00 0.00 O ATOM 1084 CG2 THR A 81 13.230 12.594 -5.353 1.00 0.00 C ATOM 0 H THR A 81 10.843 13.290 -6.302 1.00 0.00 H new ATOM 0 HA THR A 81 12.191 12.007 -8.601 1.00 0.00 H new ATOM 0 HB THR A 81 13.212 13.807 -7.133 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.160 12.359 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.103 13.102 -4.942 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.324 13.034 -4.936 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.271 11.536 -5.095 1.00 0.00 H new ATOM 1092 N ARG A 82 12.409 9.702 -7.847 1.00 0.00 N ATOM 1093 CA ARG A 82 12.315 8.285 -7.541 1.00 0.00 C ATOM 1094 C ARG A 82 13.536 7.835 -6.736 1.00 0.00 C ATOM 1095 O ARG A 82 14.649 8.297 -6.980 1.00 0.00 O ATOM 1096 CB ARG A 82 12.218 7.448 -8.819 1.00 0.00 C ATOM 1097 CG ARG A 82 11.109 7.974 -9.734 1.00 0.00 C ATOM 1098 CD ARG A 82 11.549 7.943 -11.198 1.00 0.00 C ATOM 1099 NE ARG A 82 11.001 9.118 -11.916 1.00 0.00 N ATOM 1100 CZ ARG A 82 9.698 9.304 -12.161 1.00 0.00 C ATOM 1101 NH1 ARG A 82 8.801 8.396 -11.753 1.00 0.00 N ATOM 1102 NH2 ARG A 82 9.289 10.399 -12.819 1.00 0.00 N ATOM 0 H ARG A 82 12.944 9.922 -8.687 1.00 0.00 H new ATOM 0 HA ARG A 82 11.410 8.133 -6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.172 7.471 -9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.020 6.407 -8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.210 7.370 -9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.850 8.994 -9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.637 7.944 -11.259 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.204 7.024 -11.671 1.00 0.00 H new ATOM 0 HE ARG A 82 11.656 9.828 -12.243 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.111 7.561 -11.255 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.809 8.539 -11.941 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.971 11.090 -13.133 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.296 10.541 -13.006 1.00 0.00 H new ATOM 1116 N TRP A 83 13.285 6.939 -5.792 1.00 0.00 N ATOM 1117 CA TRP A 83 14.351 6.421 -4.950 1.00 0.00 C ATOM 1118 C TRP A 83 14.676 5.001 -5.419 1.00 0.00 C ATOM 1119 O TRP A 83 15.541 4.807 -6.270 1.00 0.00 O ATOM 1120 CB TRP A 83 13.963 6.488 -3.472 1.00 0.00 C ATOM 1121 CG TRP A 83 15.017 5.909 -2.526 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.905 4.845 -1.719 1.00 0.00 C ATOM 1123 CD2 TRP A 83 16.353 6.410 -2.317 1.00 0.00 C ATOM 1124 NE1 TRP A 83 16.067 4.625 -1.010 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.976 5.606 -1.385 1.00 0.00 C ATOM 1126 CE3 TRP A 83 17.015 7.507 -2.899 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 18.291 5.814 -0.951 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 18.329 7.700 -2.455 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.970 6.898 -1.517 1.00 0.00 C ATOM 0 H TRP A 83 12.360 6.559 -5.592 1.00 0.00 H new ATOM 0 HA TRP A 83 15.248 7.033 -5.043 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.779 7.528 -3.202 1.00 0.00 H new ATOM 0 HB3 TRP A 83 13.026 5.951 -3.328 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.017 4.237 -1.635 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.229 3.879 -0.334 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.547 8.149 -3.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.756 5.172 -0.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.883 8.529 -2.870 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.988 7.111 -1.227 1.00 0.00 H new ATOM 1140 N GLY A 84 13.964 4.045 -4.840 1.00 0.00 N ATOM 1141 CA GLY A 84 14.167 2.647 -5.191 1.00 0.00 C ATOM 1142 C GLY A 84 14.066 1.755 -3.951 1.00 0.00 C ATOM 1143 O GLY A 84 12.973 1.520 -3.437 1.00 0.00 O ATOM 0 H GLY A 84 13.248 4.209 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.423 2.340 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.145 2.522 -5.656 1.00 0.00 H new ATOM 1147 N THR A 85 15.220 1.279 -3.509 1.00 0.00 N ATOM 1148 CA THR A 85 15.278 0.415 -2.340 1.00 0.00 C ATOM 1149 C THR A 85 14.958 -1.028 -2.728 1.00 0.00 C ATOM 1150 O THR A 85 15.702 -1.945 -2.389 1.00 0.00 O ATOM 1151 CB THR A 85 14.327 0.986 -1.286 1.00 0.00 C ATOM 1152 OG1 THR A 85 14.773 2.327 -1.104 1.00 0.00 O ATOM 1153 CG2 THR A 85 14.518 0.338 0.087 1.00 0.00 C ATOM 0 H THR A 85 16.124 1.475 -3.939 1.00 0.00 H new ATOM 0 HA THR A 85 16.281 0.389 -1.915 1.00 0.00 H new ATOM 0 HB THR A 85 13.297 0.845 -1.613 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.929 2.741 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.819 0.779 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.332 -0.733 0.013 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.539 0.506 0.430 1.00 0.00 H new ATOM 1161 N VAL A 86 13.849 -1.185 -3.437 1.00 0.00 N ATOM 1162 CA VAL A 86 13.422 -2.502 -3.876 1.00 0.00 C ATOM 1163 C VAL A 86 12.978 -3.322 -2.661 1.00 0.00 C ATOM 1164 O VAL A 86 11.884 -3.118 -2.139 1.00 0.00 O ATOM 1165 CB VAL A 86 14.540 -3.177 -4.674 1.00 0.00 C ATOM 1166 CG1 VAL A 86 14.142 -4.597 -5.082 1.00 0.00 C ATOM 1167 CG2 VAL A 86 14.919 -2.340 -5.899 1.00 0.00 C ATOM 0 H VAL A 86 13.234 -0.421 -3.718 1.00 0.00 H new ATOM 0 HA VAL A 86 12.566 -2.421 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 86 15.417 -3.247 -4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 86 14.954 -5.054 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.943 -5.190 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.245 -4.560 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.715 -2.841 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.048 -2.225 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.263 -1.358 -5.576 1.00 0.00 H new ATOM 1177 N ASP A 87 13.851 -4.229 -2.247 1.00 0.00 N ATOM 1178 CA ASP A 87 13.564 -5.079 -1.104 1.00 0.00 C ATOM 1179 C ASP A 87 13.089 -4.212 0.064 1.00 0.00 C ATOM 1180 O ASP A 87 13.904 -3.665 0.806 1.00 0.00 O ATOM 1181 CB ASP A 87 14.814 -5.837 -0.655 1.00 0.00 C ATOM 1182 CG ASP A 87 14.548 -7.208 -0.030 1.00 0.00 C ATOM 1183 OD1 ASP A 87 13.389 -7.427 0.388 1.00 0.00 O ATOM 1184 OD2 ASP A 87 15.507 -8.006 0.017 1.00 0.00 O ATOM 0 H ASP A 87 14.758 -4.394 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 87 12.796 -5.794 -1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.470 -5.968 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.353 -5.224 0.067 1.00 0.00 H new ATOM 1190 N CYS A 88 11.774 -4.111 0.191 1.00 0.00 N ATOM 1191 CA CYS A 88 11.184 -3.319 1.254 1.00 0.00 C ATOM 1192 C CYS A 88 11.173 -4.164 2.530 1.00 0.00 C ATOM 1193 O CYS A 88 10.133 -4.316 3.169 1.00 0.00 O ATOM 1194 CB CYS A 88 9.781 -2.828 0.883 1.00 0.00 C ATOM 1195 SG CYS A 88 8.929 -1.880 2.196 1.00 0.00 S ATOM 0 H CYS A 88 11.101 -4.565 -0.426 1.00 0.00 H new ATOM 0 HA CYS A 88 11.780 -2.421 1.417 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.853 -2.204 -0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.167 -3.690 0.620 1.00 0.00 H new ATOM 1200 N THR A 89 12.343 -4.688 2.865 1.00 0.00 N ATOM 1201 CA THR A 89 12.480 -5.513 4.054 1.00 0.00 C ATOM 1202 C THR A 89 12.916 -4.660 5.247 1.00 0.00 C ATOM 1203 O THR A 89 12.698 -5.038 6.397 1.00 0.00 O ATOM 1204 CB THR A 89 13.453 -6.648 3.731 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.369 -7.510 4.863 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.912 -6.184 3.723 1.00 0.00 C ATOM 0 H THR A 89 13.204 -4.558 2.334 1.00 0.00 H new ATOM 0 HA THR A 89 11.526 -5.955 4.342 1.00 0.00 H new ATOM 0 HB THR A 89 13.203 -7.075 2.760 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.968 -8.275 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.561 -7.028 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.042 -5.406 2.971 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.173 -5.787 4.704 1.00 0.00 H new ATOM 1214 N THR A 90 13.523 -3.524 4.932 1.00 0.00 N ATOM 1215 CA THR A 90 13.991 -2.614 5.962 1.00 0.00 C ATOM 1216 C THR A 90 12.885 -1.631 6.348 1.00 0.00 C ATOM 1217 O THR A 90 12.580 -1.462 7.527 1.00 0.00 O ATOM 1218 CB THR A 90 15.261 -1.931 5.450 1.00 0.00 C ATOM 1219 OG1 THR A 90 16.260 -2.941 5.548 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.752 -0.830 6.390 1.00 0.00 C ATOM 0 H THR A 90 13.701 -3.214 3.977 1.00 0.00 H new ATOM 0 HA THR A 90 14.241 -3.149 6.878 1.00 0.00 H new ATOM 0 HB THR A 90 15.074 -1.509 4.463 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.117 -2.585 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.655 -0.378 5.980 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.979 -0.068 6.493 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.972 -1.258 7.368 1.00 0.00 H new ATOM 1228 N ALA A 91 12.313 -1.006 5.329 1.00 0.00 N ATOM 1229 CA ALA A 91 11.248 -0.041 5.546 1.00 0.00 C ATOM 1230 C ALA A 91 9.900 -0.767 5.537 1.00 0.00 C ATOM 1231 O ALA A 91 9.742 -1.781 4.858 1.00 0.00 O ATOM 1232 CB ALA A 91 11.324 1.055 4.482 1.00 0.00 C ATOM 0 H ALA A 91 12.567 -1.149 4.351 1.00 0.00 H new ATOM 0 HA ALA A 91 11.360 0.440 6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.525 1.778 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.288 1.559 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.213 0.610 3.493 1.00 0.00 H new ATOM 1238 N ALA A 92 8.963 -0.219 6.297 1.00 0.00 N ATOM 1239 CA ALA A 92 7.635 -0.802 6.385 1.00 0.00 C ATOM 1240 C ALA A 92 6.752 -0.216 5.282 1.00 0.00 C ATOM 1241 O ALA A 92 6.514 0.990 5.247 1.00 0.00 O ATOM 1242 CB ALA A 92 7.062 -0.556 7.782 1.00 0.00 C ATOM 0 H ALA A 92 9.097 0.623 6.857 1.00 0.00 H new ATOM 0 HA ALA A 92 7.678 -1.881 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.066 -0.993 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.711 -1.016 8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.001 0.517 7.966 1.00 0.00 H new ATOM 1248 N CYS A 93 6.292 -1.099 4.409 1.00 0.00 N ATOM 1249 CA CYS A 93 5.440 -0.685 3.304 1.00 0.00 C ATOM 1250 C CYS A 93 3.984 -0.771 3.764 1.00 0.00 C ATOM 1251 O CYS A 93 3.518 -1.835 4.169 1.00 0.00 O ATOM 1252 CB CYS A 93 5.692 -1.523 2.049 1.00 0.00 C ATOM 1253 SG CYS A 93 7.127 -2.654 2.157 1.00 0.00 S ATOM 0 H CYS A 93 6.492 -2.099 4.443 1.00 0.00 H new ATOM 0 HA CYS A 93 5.674 0.343 3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.799 -2.111 1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.840 -0.851 1.204 1.00 0.00 H new ATOM 1258 N GLN A 94 3.303 0.363 3.686 1.00 0.00 N ATOM 1259 CA GLN A 94 1.909 0.429 4.089 1.00 0.00 C ATOM 1260 C GLN A 94 0.996 0.227 2.879 1.00 0.00 C ATOM 1261 O GLN A 94 0.948 1.072 1.985 1.00 0.00 O ATOM 1262 CB GLN A 94 1.603 1.755 4.792 1.00 0.00 C ATOM 1263 CG GLN A 94 2.335 1.846 6.131 1.00 0.00 C ATOM 1264 CD GLN A 94 2.754 3.287 6.429 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.596 4.187 5.621 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.296 3.457 7.633 1.00 0.00 N ATOM 0 H GLN A 94 3.691 1.244 3.349 1.00 0.00 H new ATOM 0 HA GLN A 94 1.719 -0.374 4.801 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.901 2.587 4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.529 1.846 4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.689 1.479 6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.215 1.204 6.113 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.400 2.661 8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.607 4.383 7.926 1.00 0.00 H new ATOM 1275 N VAL A 95 0.295 -0.897 2.888 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.614 -1.220 1.801 1.00 0.00 C ATOM 1277 C VAL A 95 -1.988 -0.613 2.093 1.00 0.00 C ATOM 1278 O VAL A 95 -2.654 -1.007 3.050 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.662 -2.736 1.593 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.504 -3.093 0.366 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.749 -3.317 1.481 1.00 0.00 C ATOM 0 H VAL A 95 0.338 -1.595 3.630 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.260 -0.787 0.865 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.139 -3.182 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.522 -4.176 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.521 -2.726 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.069 -2.632 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.688 -4.395 1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.263 -2.864 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.303 -3.107 2.396 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.371 0.334 1.251 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.655 0.998 1.406 1.00 0.00 C ATOM 1293 C GLY A 96 -4.023 1.781 0.142 1.00 0.00 C ATOM 1294 O GLY A 96 -3.235 1.856 -0.798 1.00 0.00 O ATOM 0 H GLY A 96 -1.816 0.658 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.428 0.259 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.618 1.675 2.260 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.221 2.345 0.165 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.703 3.120 -0.967 1.00 0.00 C ATOM 1300 C LEU A 97 -5.671 4.606 -0.612 1.00 0.00 C ATOM 1301 O LEU A 97 -6.264 5.026 0.380 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.082 2.621 -1.407 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.159 2.577 -0.321 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.544 2.847 -0.910 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.110 1.256 0.448 1.00 0.00 C ATOM 0 H LEU A 97 -5.872 2.282 0.948 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.050 2.985 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.436 3.260 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.969 1.618 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.954 3.373 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.290 2.810 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.556 3.833 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.774 2.091 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.886 1.252 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.275 0.428 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.134 1.146 0.920 1.00 0.00 H new ATOM 1317 N SER A 98 -4.973 5.366 -1.445 1.00 0.00 N ATOM 1318 CA SER A 98 -4.855 6.798 -1.231 1.00 0.00 C ATOM 1319 C SER A 98 -5.883 7.540 -2.088 1.00 0.00 C ATOM 1320 O SER A 98 -6.485 6.956 -2.987 1.00 0.00 O ATOM 1321 CB SER A 98 -3.442 7.289 -1.552 1.00 0.00 C ATOM 1322 OG SER A 98 -3.084 7.037 -2.908 1.00 0.00 O ATOM 0 H SER A 98 -4.484 5.016 -2.269 1.00 0.00 H new ATOM 0 HA SER A 98 -5.051 7.004 -0.179 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.376 8.359 -1.352 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.728 6.797 -0.891 1.00 0.00 H new ATOM 0 HG SER A 98 -2.590 7.805 -3.264 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.051 8.819 -1.780 1.00 0.00 N ATOM 1329 CA ASP A 99 -6.994 9.646 -2.511 1.00 0.00 C ATOM 1330 C ASP A 99 -6.395 10.014 -3.871 1.00 0.00 C ATOM 1331 O ASP A 99 -5.184 9.933 -4.062 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.286 10.945 -1.758 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.037 10.887 -0.247 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -6.994 9.752 0.277 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -6.892 11.977 0.346 1.00 0.00 O ATOM 0 H ASP A 99 -5.549 9.301 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.918 9.080 -2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.672 11.739 -2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.327 11.221 -1.929 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.273 10.414 -4.779 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.847 10.794 -6.114 1.00 0.00 C ATOM 1343 C ALA A 100 -6.124 12.141 -6.050 1.00 0.00 C ATOM 1344 O ALA A 100 -5.605 12.621 -7.058 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.061 10.827 -7.048 1.00 0.00 C ATOM 0 H ALA A 100 -8.277 10.483 -4.616 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.146 10.062 -6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.741 11.112 -8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.521 9.840 -7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.785 11.553 -6.678 1.00 0.00 H new ATOM 1351 N ALA A 101 -6.116 12.715 -4.856 1.00 0.00 N ATOM 1352 CA ALA A 101 -5.465 13.998 -4.646 1.00 0.00 C ATOM 1353 C ALA A 101 -4.006 13.766 -4.251 1.00 0.00 C ATOM 1354 O ALA A 101 -3.141 14.591 -4.544 1.00 0.00 O ATOM 1355 CB ALA A 101 -6.235 14.794 -3.592 1.00 0.00 C ATOM 0 H ALA A 101 -6.550 12.316 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.468 14.585 -5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.747 15.756 -3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.257 14.957 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.251 14.237 -2.655 1.00 0.00 H new ATOM 1361 N GLY A 102 -3.775 12.639 -3.593 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.434 12.288 -3.157 1.00 0.00 C ATOM 1363 C GLY A 102 -2.229 12.640 -1.680 1.00 0.00 C ATOM 1364 O GLY A 102 -1.216 13.231 -1.314 1.00 0.00 O ATOM 0 H GLY A 102 -4.494 11.957 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.266 11.222 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.700 12.815 -3.766 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.211 12.262 -0.872 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.152 12.532 0.553 1.00 0.00 C ATOM 1370 C ASN A 103 -3.875 11.413 1.308 1.00 0.00 C ATOM 1371 O ASN A 103 -4.665 10.676 0.723 1.00 0.00 O ATOM 1372 CB ASN A 103 -3.839 13.854 0.894 1.00 0.00 C ATOM 1373 CG ASN A 103 -3.064 15.040 0.317 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -2.008 15.420 0.799 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -3.642 15.603 -0.738 1.00 0.00 N ATOM 0 H ASN A 103 -4.051 11.771 -1.179 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.103 12.588 0.843 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.855 13.852 0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.918 13.958 1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.202 16.402 -1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.526 15.236 -1.092 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.576 11.325 2.596 1.00 0.00 N ATOM 1383 CA GLY A 104 -4.187 10.311 3.438 1.00 0.00 C ATOM 1384 C GLY A 104 -3.217 9.159 3.699 1.00 0.00 C ATOM 1385 O GLY A 104 -3.036 8.289 2.848 1.00 0.00 O ATOM 0 H GLY A 104 -2.919 11.939 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.493 10.755 4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.089 9.930 2.959 1.00 0.00 H new ATOM 1389 N PRO A 105 -2.602 9.188 4.913 1.00 0.00 N ATOM 1390 CA PRO A 105 -1.655 8.156 5.298 1.00 0.00 C ATOM 1391 C PRO A 105 -2.378 6.855 5.655 1.00 0.00 C ATOM 1392 O PRO A 105 -2.124 6.270 6.707 1.00 0.00 O ATOM 1393 CB PRO A 105 -0.882 8.747 6.465 1.00 0.00 C ATOM 1394 CG PRO A 105 -1.730 9.894 6.988 1.00 0.00 C ATOM 1395 CD PRO A 105 -2.794 10.201 5.947 1.00 0.00 C ATOM 0 HA PRO A 105 -0.978 7.882 4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.714 8.000 7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.098 9.100 6.145 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.192 9.625 7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.112 10.773 7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.795 10.146 6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.675 11.207 5.544 1.00 0.00 H new ATOM 1403 N GLU A 106 -3.262 6.440 4.759 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.021 5.220 4.970 1.00 0.00 C ATOM 1405 C GLU A 106 -3.287 4.026 4.355 1.00 0.00 C ATOM 1406 O GLU A 106 -3.044 3.993 3.149 1.00 0.00 O ATOM 1407 CB GLU A 106 -5.433 5.348 4.398 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.475 5.416 5.516 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.546 6.463 5.206 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.987 6.494 4.037 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -7.898 7.208 6.145 1.00 0.00 O ATOM 0 H GLU A 106 -3.469 6.927 3.887 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.113 5.053 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.499 6.244 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.645 4.497 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.942 4.439 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.986 5.659 6.459 1.00 0.00 H new ATOM 1419 N GLY A 107 -2.954 3.071 5.211 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.253 1.878 4.769 1.00 0.00 C ATOM 1421 C GLY A 107 -1.961 0.945 5.944 1.00 0.00 C ATOM 1422 O GLY A 107 -1.764 1.401 7.069 1.00 0.00 O ATOM 0 H GLY A 107 -3.157 3.100 6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.853 1.354 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.319 2.160 4.284 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.940 -0.345 5.644 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.675 -1.347 6.662 1.00 0.00 C ATOM 1428 C VAL A 108 -0.198 -1.749 6.603 1.00 0.00 C ATOM 1429 O VAL A 108 0.358 -1.924 5.520 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.625 -2.534 6.490 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.375 -3.246 5.159 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.507 -3.507 7.665 1.00 0.00 C ATOM 0 H VAL A 108 -2.102 -0.720 4.709 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.863 -0.940 7.656 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.645 -2.149 6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.063 -4.086 5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.535 -2.548 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.349 -3.612 5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.193 -4.341 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.486 -3.883 7.725 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.758 -2.991 8.592 1.00 0.00 H new ATOM 1442 N ALA A 109 0.392 -1.883 7.783 1.00 0.00 N ATOM 1443 CA ALA A 109 1.790 -2.263 7.880 1.00 0.00 C ATOM 1444 C ALA A 109 1.959 -3.704 7.394 1.00 0.00 C ATOM 1445 O ALA A 109 1.788 -4.646 8.166 1.00 0.00 O ATOM 1446 CB ALA A 109 2.274 -2.073 9.319 1.00 0.00 C ATOM 0 H ALA A 109 -0.073 -1.735 8.679 1.00 0.00 H new ATOM 0 HA ALA A 109 2.404 -1.626 7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.323 -2.359 9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.162 -1.027 9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.682 -2.698 9.988 1.00 0.00 H new ATOM 1452 N ILE A 110 2.295 -3.830 6.118 1.00 0.00 N ATOM 1453 CA ILE A 110 2.488 -5.141 5.522 1.00 0.00 C ATOM 1454 C ILE A 110 3.869 -5.673 5.908 1.00 0.00 C ATOM 1455 O ILE A 110 4.844 -4.922 5.936 1.00 0.00 O ATOM 1456 CB ILE A 110 2.256 -5.080 4.010 1.00 0.00 C ATOM 1457 CG1 ILE A 110 1.000 -5.860 3.618 1.00 0.00 C ATOM 1458 CG2 ILE A 110 3.490 -5.562 3.245 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.258 -5.006 3.803 1.00 0.00 C ATOM 0 H ILE A 110 2.438 -3.046 5.481 1.00 0.00 H new ATOM 0 HA ILE A 110 1.753 -5.847 5.908 1.00 0.00 H new ATOM 0 HB ILE A 110 2.091 -4.039 3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.076 -6.181 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.924 -6.762 4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.298 -5.508 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.342 -4.929 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.711 -6.593 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.136 -5.585 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.345 -4.707 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.190 -4.117 3.176 1.00 0.00 H new ATOM 1471 N SER A 111 3.909 -6.965 6.201 1.00 0.00 N ATOM 1472 CA SER A 111 5.154 -7.607 6.585 1.00 0.00 C ATOM 1473 C SER A 111 4.871 -8.759 7.554 1.00 0.00 C ATOM 1474 O SER A 111 4.801 -9.916 7.143 1.00 0.00 O ATOM 1475 CB SER A 111 6.118 -6.604 7.223 1.00 0.00 C ATOM 1476 OG SER A 111 7.055 -7.238 8.087 1.00 0.00 O ATOM 0 H SER A 111 3.099 -7.584 6.180 1.00 0.00 H new ATOM 0 HA SER A 111 5.626 -8.003 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.653 -6.067 6.440 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.550 -5.863 7.786 1.00 0.00 H new ATOM 0 HG SER A 111 7.653 -6.564 8.473 1.00 0.00 H new ATOM 1482 N PHE A 112 4.716 -8.401 8.820 1.00 0.00 N ATOM 1483 CA PHE A 112 4.444 -9.389 9.849 1.00 0.00 C ATOM 1484 C PHE A 112 3.477 -8.836 10.898 1.00 0.00 C ATOM 1485 O PHE A 112 3.702 -7.760 11.448 1.00 0.00 O ATOM 1486 CB PHE A 112 5.778 -9.713 10.523 1.00 0.00 C ATOM 1487 CG PHE A 112 6.156 -8.752 11.650 1.00 0.00 C ATOM 1488 CD1 PHE A 112 5.551 -8.857 12.865 1.00 0.00 C ATOM 1489 CD2 PHE A 112 7.097 -7.794 11.439 1.00 0.00 C ATOM 1490 CE1 PHE A 112 5.902 -7.963 13.911 1.00 0.00 C ATOM 1491 CE2 PHE A 112 7.449 -6.901 12.486 1.00 0.00 C ATOM 1492 CZ PHE A 112 6.843 -7.005 13.700 1.00 0.00 C ATOM 0 H PHE A 112 4.774 -7.440 9.156 1.00 0.00 H new ATOM 0 HA PHE A 112 3.988 -10.273 9.404 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.734 -10.726 10.923 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.566 -9.701 9.770 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.805 -9.619 13.033 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.577 -7.712 10.475 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.421 -8.044 14.875 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.197 -6.140 12.319 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.110 -6.326 14.496 1.00 0.00 H new ATOM 1502 N ASN A 113 2.421 -9.597 11.144 1.00 0.00 N ATOM 1503 CA ASN A 113 1.419 -9.196 12.117 1.00 0.00 C ATOM 1504 C ASN A 113 2.116 -8.709 13.388 1.00 0.00 C ATOM 1505 O ASN A 113 1.491 -8.090 14.247 1.00 0.00 O ATOM 1506 CB ASN A 113 0.517 -10.373 12.494 1.00 0.00 C ATOM 1507 CG ASN A 113 -0.580 -9.931 13.465 1.00 0.00 C ATOM 1508 OD1 ASN A 113 -1.526 -9.249 13.108 1.00 0.00 O ATOM 1509 ND2 ASN A 113 -0.402 -10.358 14.713 1.00 0.00 N ATOM 0 H ASN A 113 2.237 -10.490 10.686 1.00 0.00 H new ATOM 0 HA ASN A 113 0.814 -8.405 11.673 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.065 -10.793 11.595 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.114 -11.163 12.949 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.080 -10.117 15.436 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.412 -10.926 14.946 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.633 7.256 1.083 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.198 6.866 -0.189 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.624 5.729 -0.303 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -1.069 5.284 -1.543 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.665 5.951 -2.683 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.161 7.086 -2.597 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.578 7.598 -1.336 1.00 0.00 C HETATM 1524 C11 NCZ A 130 1.018 8.969 -1.235 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.506 9.532 -2.216 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.965 9.767 -0.004 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.704 11.032 0.047 1.00 0.00 C HETATM 1528 C13 NCZ A 130 2.762 11.033 1.155 1.00 0.00 C HETATM 1529 C14 NCZ A 130 2.258 11.624 2.245 1.00 0.00 C HETATM 1530 C15 NCZ A 130 0.967 12.312 1.989 1.00 0.00 C HETATM 1531 C16 NCZ A 130 0.759 12.168 0.470 1.00 0.00 C HETATM 1532 O6 NCZ A 130 1.107 13.434 -0.156 1.00 0.00 O HETATM 1533 O5 NCZ A 130 3.916 11.754 0.723 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.517 7.706 -3.809 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.999 5.064 0.842 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.557 5.493 2.086 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.265 6.586 2.218 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.688 6.962 3.484 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.176 8.270 3.840 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.902 3.871 0.814 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.859 4.150 0.374 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.444 3.082 0.217 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -2.061 3.511 1.831 1.00 0.00 H new HETATM 0 H173 NCZ A 130 2.059 8.504 3.245 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.401 9.012 3.647 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.438 8.285 4.898 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.990 5.594 -3.660 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.729 4.419 -1.614 1.00 0.00 H new HETATM 0 H6 NCZ A 130 0.327 13.790 -0.631 1.00 0.00 H new HETATM 0 H5 NCZ A 130 3.734 12.174 -0.144 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.869 4.950 2.978 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.492 7.696 -3.908 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.265 11.935 0.179 1.00 0.00 H new HETATM 0 H15 NCZ A 130 0.316 12.806 2.711 1.00 0.00 H new HETATM 0 H14 NCZ A 130 2.745 11.603 3.220 1.00 0.00 H new HETATM 0 H13 NCZ A 130 3.043 10.005 1.385 1.00 0.00 H new HETATM 0 H12 NCZ A 130 2.144 11.158 -0.942 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.287 8.123 1.173 1.00 0.00 H new