USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=29 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 27 GLN :FLIP amide:sc= -10.5! C(o=-11!,f=-11!) USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 0.0739 USER MOD Set 1.3: A 32 TYR OH : rot -91:sc= -0.145 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -73:sc= -0.532! USER MOD Single : A 6 THR OG1 : rot 150:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 11 SER OG : rot -170:sc= 0.0195 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -150:sc= 0.161 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -9.45! C(o=-9.4!,f=-11!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.65! K(o=-1.6!,f=-2.8) USER MOD Single : A 53 SER OG : rot 100:sc= -0.204 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -5:sc= -4.15! USER MOD Single : A 60 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.6!) USER MOD Single : A 62 SER OG : rot -15:sc= -0.422 USER MOD Single : A 64 SER OG : rot 49:sc= 0.402 USER MOD Single : A 65 THR OG1 : rot -179:sc= -0.121 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 -7:sc= 1.03 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 44:sc= -0.474 USER MOD Single : A 89 THR OG1 : rot 171:sc= 0.00575 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.115 K(o=-0.12,f=-2!) USER MOD Single : A 98 SER OG : rot 128:sc= -4.17! USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.311 K(o=-0.31,f=-2.4!) USER MOD Single : A 130 NCZ O2 : rot 173:sc= 1.1 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 -12.230 -5.927 13.790 1.00 0.00 N ATOM 2 CA ALA A 1 -11.174 -6.466 12.950 1.00 0.00 C ATOM 3 C ALA A 1 -11.453 -6.104 11.489 1.00 0.00 C ATOM 4 O ALA A 1 -11.976 -6.920 10.732 1.00 0.00 O ATOM 5 CB ALA A 1 -11.073 -7.978 13.166 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.043 -6.172 14.783 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.261 -4.892 13.688 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.144 -6.330 13.501 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.211 -6.032 13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.281 -8.383 12.536 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.845 -8.182 14.212 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.021 -8.447 12.904 1.00 0.00 H new ATOM 11 N ALA A 2 -11.093 -4.878 11.140 1.00 0.00 N ATOM 12 CA ALA A 2 -11.299 -4.397 9.784 1.00 0.00 C ATOM 13 C ALA A 2 -10.804 -2.953 9.680 1.00 0.00 C ATOM 14 O ALA A 2 -11.594 -2.034 9.465 1.00 0.00 O ATOM 15 CB ALA A 2 -12.776 -4.533 9.413 1.00 0.00 C ATOM 0 H ALA A 2 -10.660 -4.204 11.771 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.728 -4.995 9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.930 -4.172 8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.072 -5.580 9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.380 -3.944 10.103 1.00 0.00 H new ATOM 21 N PRO A 3 -9.461 -2.792 9.840 1.00 0.00 N ATOM 22 CA PRO A 3 -8.852 -1.476 9.768 1.00 0.00 C ATOM 23 C PRO A 3 -8.769 -0.990 8.317 1.00 0.00 C ATOM 24 O PRO A 3 -7.707 -1.038 7.702 1.00 0.00 O ATOM 25 CB PRO A 3 -7.487 -1.639 10.416 1.00 0.00 C ATOM 26 CG PRO A 3 -7.198 -3.131 10.410 1.00 0.00 C ATOM 27 CD PRO A 3 -8.496 -3.856 10.095 1.00 0.00 C ATOM 0 HA PRO A 3 -9.436 -0.713 10.284 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.724 -1.091 9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.488 -1.245 11.432 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.437 -3.369 9.666 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.809 -3.448 11.377 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.386 -4.507 9.228 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.811 -4.485 10.928 1.00 0.00 H new ATOM 35 N THR A 4 -9.908 -0.531 7.817 1.00 0.00 N ATOM 36 CA THR A 4 -9.980 -0.037 6.453 1.00 0.00 C ATOM 37 C THR A 4 -9.398 -1.066 5.481 1.00 0.00 C ATOM 38 O THR A 4 -9.619 -2.267 5.636 1.00 0.00 O ATOM 39 CB THR A 4 -9.268 1.316 6.403 1.00 0.00 C ATOM 40 OG1 THR A 4 -7.885 0.978 6.306 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.372 2.081 7.724 1.00 0.00 C ATOM 0 H THR A 4 -10.787 -0.491 8.332 1.00 0.00 H new ATOM 0 HA THR A 4 -11.014 0.111 6.140 1.00 0.00 H new ATOM 0 HB THR A 4 -9.691 1.919 5.599 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.570 0.638 7.169 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.850 3.034 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.421 2.262 7.958 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.919 1.493 8.522 1.00 0.00 H new ATOM 49 N ALA A 5 -8.663 -0.559 4.502 1.00 0.00 N ATOM 50 CA ALA A 5 -8.047 -1.420 3.506 1.00 0.00 C ATOM 51 C ALA A 5 -6.838 -2.124 4.124 1.00 0.00 C ATOM 52 O ALA A 5 -5.862 -1.476 4.500 1.00 0.00 O ATOM 53 CB ALA A 5 -7.672 -0.589 2.277 1.00 0.00 C ATOM 0 H ALA A 5 -8.480 0.437 4.377 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.745 -2.191 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.210 -1.233 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.569 -0.133 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.969 0.192 2.567 1.00 0.00 H new ATOM 59 N THR A 6 -6.943 -3.442 4.210 1.00 0.00 N ATOM 60 CA THR A 6 -5.869 -4.242 4.778 1.00 0.00 C ATOM 61 C THR A 6 -5.721 -5.557 4.010 1.00 0.00 C ATOM 62 O THR A 6 -6.715 -6.146 3.584 1.00 0.00 O ATOM 63 CB THR A 6 -6.160 -4.438 6.267 1.00 0.00 C ATOM 64 OG1 THR A 6 -7.584 -4.456 6.343 1.00 0.00 O ATOM 65 CG2 THR A 6 -5.757 -3.223 7.107 1.00 0.00 C ATOM 0 H THR A 6 -7.754 -3.976 3.897 1.00 0.00 H new ATOM 0 HA THR A 6 -4.908 -3.736 4.684 1.00 0.00 H new ATOM 0 HB THR A 6 -5.631 -5.320 6.627 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.864 -5.022 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.985 -3.414 8.156 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.688 -3.042 6.995 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.311 -2.347 6.769 1.00 0.00 H new ATOM 73 N VAL A 7 -4.475 -5.979 3.856 1.00 0.00 N ATOM 74 CA VAL A 7 -4.185 -7.213 3.145 1.00 0.00 C ATOM 75 C VAL A 7 -4.444 -8.402 4.072 1.00 0.00 C ATOM 76 O VAL A 7 -4.180 -8.327 5.273 1.00 0.00 O ATOM 77 CB VAL A 7 -2.757 -7.181 2.601 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.640 -8.006 1.317 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.291 -5.742 2.373 1.00 0.00 C ATOM 0 H VAL A 7 -3.654 -5.489 4.211 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.844 -7.321 2.283 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.103 -7.631 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.614 -7.966 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.912 -9.041 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.311 -7.599 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.272 -5.747 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.950 -5.256 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.318 -5.197 3.317 1.00 0.00 H new ATOM 89 N THR A 8 -4.958 -9.471 3.484 1.00 0.00 N ATOM 90 CA THR A 8 -5.256 -10.674 4.241 1.00 0.00 C ATOM 91 C THR A 8 -4.199 -10.898 5.324 1.00 0.00 C ATOM 92 O THR A 8 -4.525 -11.008 6.504 1.00 0.00 O ATOM 93 CB THR A 8 -5.372 -11.839 3.256 1.00 0.00 C ATOM 94 OG1 THR A 8 -6.771 -12.103 3.194 1.00 0.00 O ATOM 95 CG2 THR A 8 -4.773 -13.134 3.806 1.00 0.00 C ATOM 0 H THR A 8 -5.176 -9.529 2.489 1.00 0.00 H new ATOM 0 HA THR A 8 -6.205 -10.582 4.770 1.00 0.00 H new ATOM 0 HB THR A 8 -4.873 -11.576 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.937 -12.845 2.575 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.882 -13.928 3.067 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.716 -12.983 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.294 -13.416 4.721 1.00 0.00 H new ATOM 103 N PRO A 9 -2.918 -10.962 4.872 1.00 0.00 N ATOM 104 CA PRO A 9 -1.809 -11.170 5.786 1.00 0.00 C ATOM 105 C PRO A 9 -1.503 -9.896 6.578 1.00 0.00 C ATOM 106 O PRO A 9 -2.253 -8.922 6.507 1.00 0.00 O ATOM 107 CB PRO A 9 -0.652 -11.614 4.909 1.00 0.00 C ATOM 108 CG PRO A 9 -1.015 -11.193 3.495 1.00 0.00 C ATOM 109 CD PRO A 9 -2.492 -10.835 3.480 1.00 0.00 C ATOM 0 HA PRO A 9 -2.027 -11.921 6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.281 -11.148 5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.507 -12.693 4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.412 -10.340 3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.811 -12.001 2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.650 -9.823 3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.055 -11.505 2.831 1.00 0.00 H new ATOM 117 N SER A 10 -0.401 -9.942 7.313 1.00 0.00 N ATOM 118 CA SER A 10 0.012 -8.805 8.116 1.00 0.00 C ATOM 119 C SER A 10 1.534 -8.802 8.274 1.00 0.00 C ATOM 120 O SER A 10 2.202 -7.851 7.870 1.00 0.00 O ATOM 121 CB SER A 10 -0.666 -8.824 9.488 1.00 0.00 C ATOM 122 OG SER A 10 -0.440 -10.051 10.178 1.00 0.00 O ATOM 0 H SER A 10 0.219 -10.750 7.369 1.00 0.00 H new ATOM 0 HA SER A 10 -0.295 -7.894 7.603 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.291 -7.996 10.089 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.738 -8.669 9.365 1.00 0.00 H new ATOM 0 HG SER A 10 -0.887 -10.023 11.050 1.00 0.00 H new ATOM 128 N SER A 11 2.037 -9.876 8.863 1.00 0.00 N ATOM 129 CA SER A 11 3.469 -10.009 9.080 1.00 0.00 C ATOM 130 C SER A 11 3.960 -11.345 8.521 1.00 0.00 C ATOM 131 O SER A 11 3.173 -12.271 8.332 1.00 0.00 O ATOM 132 CB SER A 11 3.813 -9.897 10.567 1.00 0.00 C ATOM 133 OG SER A 11 4.788 -10.858 10.963 1.00 0.00 O ATOM 0 H SER A 11 1.480 -10.662 9.197 1.00 0.00 H new ATOM 0 HA SER A 11 3.972 -9.196 8.556 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.185 -8.895 10.779 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.908 -10.033 11.160 1.00 0.00 H new ATOM 0 HG SER A 11 4.865 -10.862 11.940 1.00 0.00 H new ATOM 139 N GLY A 12 5.258 -11.403 8.269 1.00 0.00 N ATOM 140 CA GLY A 12 5.866 -12.610 7.736 1.00 0.00 C ATOM 141 C GLY A 12 5.484 -12.813 6.270 1.00 0.00 C ATOM 142 O GLY A 12 5.431 -13.944 5.788 1.00 0.00 O ATOM 0 H GLY A 12 5.908 -10.632 8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.950 -12.547 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.546 -13.472 8.322 1.00 0.00 H new ATOM 146 N LEU A 13 5.226 -11.699 5.598 1.00 0.00 N ATOM 147 CA LEU A 13 4.850 -11.742 4.197 1.00 0.00 C ATOM 148 C LEU A 13 6.101 -11.953 3.342 1.00 0.00 C ATOM 149 O LEU A 13 7.217 -11.967 3.861 1.00 0.00 O ATOM 150 CB LEU A 13 4.052 -10.491 3.818 1.00 0.00 C ATOM 151 CG LEU A 13 4.876 -9.257 3.443 1.00 0.00 C ATOM 152 CD1 LEU A 13 5.485 -9.407 2.049 1.00 0.00 C ATOM 153 CD2 LEU A 13 4.042 -7.980 3.571 1.00 0.00 C ATOM 0 H LEU A 13 5.270 -10.762 5.999 1.00 0.00 H new ATOM 0 HA LEU A 13 4.188 -12.587 4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.403 -10.739 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.404 -10.230 4.655 1.00 0.00 H new ATOM 0 HG LEU A 13 5.703 -9.172 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.065 -8.516 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.136 -10.281 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.688 -9.531 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.652 -7.118 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.181 -8.040 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.699 -7.871 4.600 1.00 0.00 H new ATOM 165 N SER A 14 5.876 -12.114 2.047 1.00 0.00 N ATOM 166 CA SER A 14 6.971 -12.325 1.116 1.00 0.00 C ATOM 167 C SER A 14 6.868 -11.335 -0.046 1.00 0.00 C ATOM 168 O SER A 14 5.778 -10.874 -0.380 1.00 0.00 O ATOM 169 CB SER A 14 6.978 -13.763 0.592 1.00 0.00 C ATOM 170 OG SER A 14 8.262 -14.145 0.106 1.00 0.00 O ATOM 0 H SER A 14 4.950 -12.103 1.620 1.00 0.00 H new ATOM 0 HA SER A 14 7.909 -12.156 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.675 -14.441 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.243 -13.862 -0.207 1.00 0.00 H new ATOM 0 HG SER A 14 8.227 -15.069 -0.218 1.00 0.00 H new ATOM 176 N ASP A 15 8.019 -11.037 -0.631 1.00 0.00 N ATOM 177 CA ASP A 15 8.073 -10.110 -1.748 1.00 0.00 C ATOM 178 C ASP A 15 7.375 -10.735 -2.956 1.00 0.00 C ATOM 179 O ASP A 15 7.973 -10.865 -4.024 1.00 0.00 O ATOM 180 CB ASP A 15 9.521 -9.806 -2.143 1.00 0.00 C ATOM 181 CG ASP A 15 10.469 -9.547 -0.971 1.00 0.00 C ATOM 182 OD1 ASP A 15 11.667 -9.867 -1.128 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.976 -9.035 0.058 1.00 0.00 O ATOM 0 H ASP A 15 8.922 -11.422 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 15 7.581 -9.186 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.907 -10.643 -2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.528 -8.934 -2.796 1.00 0.00 H new ATOM 189 N GLY A 16 6.121 -11.108 -2.749 1.00 0.00 N ATOM 190 CA GLY A 16 5.336 -11.717 -3.809 1.00 0.00 C ATOM 191 C GLY A 16 4.105 -12.425 -3.241 1.00 0.00 C ATOM 192 O GLY A 16 3.651 -13.429 -3.791 1.00 0.00 O ATOM 0 H GLY A 16 5.629 -11.000 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.024 -10.953 -4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.950 -12.431 -4.357 1.00 0.00 H new ATOM 196 N THR A 17 3.596 -11.873 -2.147 1.00 0.00 N ATOM 197 CA THR A 17 2.426 -12.441 -1.499 1.00 0.00 C ATOM 198 C THR A 17 1.150 -11.795 -2.041 1.00 0.00 C ATOM 199 O THR A 17 0.813 -10.671 -1.675 1.00 0.00 O ATOM 200 CB THR A 17 2.595 -12.273 0.012 1.00 0.00 C ATOM 201 OG1 THR A 17 3.583 -13.238 0.362 1.00 0.00 O ATOM 202 CG2 THR A 17 1.355 -12.711 0.793 1.00 0.00 C ATOM 0 H THR A 17 3.973 -11.040 -1.695 1.00 0.00 H new ATOM 0 HA THR A 17 2.332 -13.505 -1.715 1.00 0.00 H new ATOM 0 HB THR A 17 2.816 -11.230 0.237 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.430 -13.544 1.280 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.529 -12.571 1.860 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.499 -12.111 0.483 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.152 -13.763 0.594 1.00 0.00 H new ATOM 210 N VAL A 18 0.473 -12.535 -2.910 1.00 0.00 N ATOM 211 CA VAL A 18 -0.758 -12.049 -3.508 1.00 0.00 C ATOM 212 C VAL A 18 -1.949 -12.535 -2.679 1.00 0.00 C ATOM 213 O VAL A 18 -2.069 -13.726 -2.398 1.00 0.00 O ATOM 214 CB VAL A 18 -0.834 -12.483 -4.973 1.00 0.00 C ATOM 215 CG1 VAL A 18 -0.408 -13.941 -5.137 1.00 0.00 C ATOM 216 CG2 VAL A 18 -2.236 -12.254 -5.541 1.00 0.00 C ATOM 0 H VAL A 18 0.755 -13.467 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.781 -10.959 -3.503 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.138 -11.866 -5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.472 -14.223 -6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.618 -14.061 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.066 -14.581 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.262 -12.571 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.960 -12.833 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.486 -11.195 -5.477 1.00 0.00 H new ATOM 226 N VAL A 19 -2.797 -11.587 -2.311 1.00 0.00 N ATOM 227 CA VAL A 19 -3.975 -11.902 -1.520 1.00 0.00 C ATOM 228 C VAL A 19 -5.069 -10.875 -1.809 1.00 0.00 C ATOM 229 O VAL A 19 -5.026 -10.187 -2.829 1.00 0.00 O ATOM 230 CB VAL A 19 -3.604 -11.977 -0.036 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.552 -13.061 0.212 1.00 0.00 C ATOM 232 CG2 VAL A 19 -3.125 -10.619 0.478 1.00 0.00 C ATOM 0 H VAL A 19 -2.692 -10.600 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.368 -12.881 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.501 -12.248 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.306 -13.093 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.946 -14.028 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.653 -12.834 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.868 -10.700 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.247 -10.306 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.918 -9.882 0.353 1.00 0.00 H new ATOM 242 N LYS A 20 -6.027 -10.804 -0.897 1.00 0.00 N ATOM 243 CA LYS A 20 -7.132 -9.872 -1.043 1.00 0.00 C ATOM 244 C LYS A 20 -7.055 -8.818 0.065 1.00 0.00 C ATOM 245 O LYS A 20 -6.727 -9.136 1.206 1.00 0.00 O ATOM 246 CB LYS A 20 -8.464 -10.622 -1.085 1.00 0.00 C ATOM 247 CG LYS A 20 -8.791 -11.239 0.277 1.00 0.00 C ATOM 248 CD LYS A 20 -10.295 -11.480 0.425 1.00 0.00 C ATOM 249 CE LYS A 20 -10.660 -11.795 1.877 1.00 0.00 C ATOM 250 NZ LYS A 20 -10.787 -13.256 2.074 1.00 0.00 N ATOM 0 H LYS A 20 -6.061 -11.377 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.060 -9.343 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.261 -9.939 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.420 -11.405 -1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.255 -12.182 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.445 -10.578 1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.843 -10.598 0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.599 -12.306 -0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.896 -11.397 2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.598 -11.304 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.035 -13.452 3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.532 -13.627 1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.883 -13.717 1.845 1.00 0.00 H new ATOM 264 N VAL A 21 -7.363 -7.586 -0.312 1.00 0.00 N ATOM 265 CA VAL A 21 -7.331 -6.483 0.634 1.00 0.00 C ATOM 266 C VAL A 21 -8.758 -5.993 0.885 1.00 0.00 C ATOM 267 O VAL A 21 -9.359 -5.354 0.021 1.00 0.00 O ATOM 268 CB VAL A 21 -6.401 -5.381 0.125 1.00 0.00 C ATOM 269 CG1 VAL A 21 -5.942 -4.478 1.270 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.203 -5.977 -0.617 1.00 0.00 C ATOM 0 H VAL A 21 -7.636 -7.327 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.926 -6.812 1.591 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.962 -4.767 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.282 -3.703 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.810 -4.014 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.406 -5.073 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.557 -5.173 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.643 -6.624 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.555 -6.559 -1.469 1.00 0.00 H new ATOM 280 N ALA A 22 -9.259 -6.309 2.069 1.00 0.00 N ATOM 281 CA ALA A 22 -10.605 -5.907 2.443 1.00 0.00 C ATOM 282 C ALA A 22 -10.559 -4.517 3.082 1.00 0.00 C ATOM 283 O ALA A 22 -9.773 -4.276 3.995 1.00 0.00 O ATOM 284 CB ALA A 22 -11.210 -6.956 3.378 1.00 0.00 C ATOM 0 H ALA A 22 -8.758 -6.839 2.782 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.245 -5.845 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.219 -6.655 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.247 -7.919 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.595 -7.043 4.274 1.00 0.00 H new ATOM 290 N GLY A 23 -11.412 -3.640 2.575 1.00 0.00 N ATOM 291 CA GLY A 23 -11.478 -2.279 3.084 1.00 0.00 C ATOM 292 C GLY A 23 -12.762 -2.057 3.887 1.00 0.00 C ATOM 293 O GLY A 23 -13.828 -1.837 3.313 1.00 0.00 O ATOM 0 H GLY A 23 -12.064 -3.844 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.611 -2.080 3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.437 -1.574 2.254 1.00 0.00 H new ATOM 297 N ALA A 24 -12.616 -2.120 5.201 1.00 0.00 N ATOM 298 CA ALA A 24 -13.749 -1.927 6.090 1.00 0.00 C ATOM 299 C ALA A 24 -13.814 -0.458 6.518 1.00 0.00 C ATOM 300 O ALA A 24 -13.025 -0.015 7.349 1.00 0.00 O ATOM 301 CB ALA A 24 -13.630 -2.875 7.285 1.00 0.00 C ATOM 0 H ALA A 24 -11.730 -2.302 5.673 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.681 -2.163 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.480 -2.729 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.618 -3.906 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.706 -2.666 7.825 1.00 0.00 H new ATOM 307 N GLY A 25 -14.764 0.254 5.927 1.00 0.00 N ATOM 308 CA GLY A 25 -14.942 1.663 6.236 1.00 0.00 C ATOM 309 C GLY A 25 -14.039 2.534 5.361 1.00 0.00 C ATOM 310 O GLY A 25 -13.576 3.588 5.795 1.00 0.00 O ATOM 0 H GLY A 25 -15.417 -0.118 5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.984 1.944 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.716 1.840 7.288 1.00 0.00 H new ATOM 314 N LEU A 26 -13.815 2.062 4.143 1.00 0.00 N ATOM 315 CA LEU A 26 -12.974 2.786 3.203 1.00 0.00 C ATOM 316 C LEU A 26 -13.791 3.906 2.555 1.00 0.00 C ATOM 317 O LEU A 26 -14.607 4.545 3.218 1.00 0.00 O ATOM 318 CB LEU A 26 -12.347 1.821 2.194 1.00 0.00 C ATOM 319 CG LEU A 26 -10.896 2.111 1.805 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.695 3.598 1.501 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.929 1.612 2.882 1.00 0.00 C ATOM 0 H LEU A 26 -14.201 1.188 3.785 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.139 3.257 3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.398 0.813 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.954 1.828 1.289 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.673 1.562 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.655 3.776 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.343 3.891 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.944 4.187 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.905 1.831 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.145 2.114 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.048 0.536 3.008 1.00 0.00 H new ATOM 333 N GLN A 27 -13.542 4.109 1.271 1.00 0.00 N ATOM 334 CA GLN A 27 -14.243 5.140 0.527 1.00 0.00 C ATOM 335 C GLN A 27 -15.661 4.679 0.183 1.00 0.00 C ATOM 336 O GLN A 27 -15.951 4.360 -0.970 1.00 0.00 O ATOM 337 CB GLN A 27 -13.472 5.527 -0.738 1.00 0.00 C ATOM 338 CG GLN A 27 -12.331 6.495 -0.409 1.00 0.00 C ATOM 339 CD GLN A 27 -12.873 7.812 0.151 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.803 8.830 -0.702 1.00 0.00 O flip ATOM 341 NE2 GLN A 27 -13.324 7.897 1.281 1.00 0.00 N flip ATOM 0 H GLN A 27 -12.864 3.576 0.726 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.313 6.027 1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.069 4.632 -1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.151 5.989 -1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.658 6.037 0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.745 6.691 -1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.348 7.075 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.677 8.791 1.623 1.00 0.00 H new ATOM 350 N ALA A 28 -16.504 4.655 1.203 1.00 0.00 N ATOM 351 CA ALA A 28 -17.885 4.235 1.023 1.00 0.00 C ATOM 352 C ALA A 28 -18.560 5.143 -0.007 1.00 0.00 C ATOM 353 O ALA A 28 -19.177 6.145 0.352 1.00 0.00 O ATOM 354 CB ALA A 28 -18.603 4.253 2.374 1.00 0.00 C ATOM 0 H ALA A 28 -16.259 4.919 2.157 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.929 3.215 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.638 3.938 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.102 3.571 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.581 5.263 2.784 1.00 0.00 H new ATOM 360 N GLY A 29 -18.415 4.762 -1.269 1.00 0.00 N ATOM 361 CA GLY A 29 -19.003 5.529 -2.354 1.00 0.00 C ATOM 362 C GLY A 29 -17.919 6.114 -3.260 1.00 0.00 C ATOM 363 O GLY A 29 -18.136 6.292 -4.458 1.00 0.00 O ATOM 0 H GLY A 29 -17.899 3.933 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.665 4.890 -2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.615 6.334 -1.946 1.00 0.00 H new ATOM 367 N THR A 30 -16.775 6.399 -2.654 1.00 0.00 N ATOM 368 CA THR A 30 -15.657 6.960 -3.393 1.00 0.00 C ATOM 369 C THR A 30 -14.733 5.847 -3.888 1.00 0.00 C ATOM 370 O THR A 30 -15.065 4.667 -3.788 1.00 0.00 O ATOM 371 CB THR A 30 -14.956 7.975 -2.490 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.785 8.042 -1.332 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.000 9.395 -3.058 1.00 0.00 C ATOM 0 H THR A 30 -16.599 6.252 -1.660 1.00 0.00 H new ATOM 0 HA THR A 30 -15.996 7.480 -4.289 1.00 0.00 H new ATOM 0 HB THR A 30 -13.919 7.673 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.402 8.678 -0.692 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.488 10.075 -2.377 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.506 9.414 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.037 9.709 -3.172 1.00 0.00 H new ATOM 381 N ALA A 31 -13.588 6.261 -4.412 1.00 0.00 N ATOM 382 CA ALA A 31 -12.611 5.313 -4.923 1.00 0.00 C ATOM 383 C ALA A 31 -11.208 5.903 -4.773 1.00 0.00 C ATOM 384 O ALA A 31 -11.007 7.098 -4.983 1.00 0.00 O ATOM 385 CB ALA A 31 -12.947 4.968 -6.374 1.00 0.00 C ATOM 0 H ALA A 31 -13.315 7.240 -4.494 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.640 4.385 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.215 4.257 -6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.942 4.526 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.924 5.875 -6.978 1.00 0.00 H new ATOM 391 N TYR A 32 -10.272 5.038 -4.411 1.00 0.00 N ATOM 392 CA TYR A 32 -8.893 5.458 -4.232 1.00 0.00 C ATOM 393 C TYR A 32 -7.950 4.636 -5.114 1.00 0.00 C ATOM 394 O TYR A 32 -8.398 3.889 -5.979 1.00 0.00 O ATOM 395 CB TYR A 32 -8.559 5.192 -2.763 1.00 0.00 C ATOM 396 CG TYR A 32 -9.108 6.245 -1.799 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.650 7.416 -2.292 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.063 6.026 -0.438 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.165 8.410 -1.385 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.581 7.018 0.470 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.105 8.161 -0.048 1.00 0.00 C ATOM 402 OH TYR A 32 -10.593 9.096 0.809 1.00 0.00 O ATOM 0 H TYR A 32 -10.442 4.047 -4.237 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.773 6.506 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.955 4.216 -2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.476 5.141 -2.651 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.688 7.587 -3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.639 5.110 -0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.589 9.331 -1.757 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.554 6.857 1.538 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.876 9.715 1.061 1.00 0.00 H new ATOM 412 N ASP A 33 -6.660 4.805 -4.861 1.00 0.00 N ATOM 413 CA ASP A 33 -5.650 4.089 -5.622 1.00 0.00 C ATOM 414 C ASP A 33 -4.764 3.292 -4.661 1.00 0.00 C ATOM 415 O ASP A 33 -4.103 3.870 -3.801 1.00 0.00 O ATOM 416 CB ASP A 33 -4.755 5.058 -6.399 1.00 0.00 C ATOM 417 CG ASP A 33 -4.093 4.466 -7.644 1.00 0.00 C ATOM 418 OD1 ASP A 33 -3.502 3.373 -7.509 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.191 5.124 -8.705 1.00 0.00 O ATOM 0 H ASP A 33 -6.292 5.426 -4.141 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.161 3.429 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.351 5.920 -6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.976 5.425 -5.731 1.00 0.00 H new ATOM 425 N VAL A 34 -4.778 1.981 -4.844 1.00 0.00 N ATOM 426 CA VAL A 34 -3.983 1.101 -4.003 1.00 0.00 C ATOM 427 C VAL A 34 -2.505 1.271 -4.350 1.00 0.00 C ATOM 428 O VAL A 34 -2.126 1.210 -5.519 1.00 0.00 O ATOM 429 CB VAL A 34 -4.471 -0.344 -4.149 1.00 0.00 C ATOM 430 CG1 VAL A 34 -3.341 -1.334 -3.865 1.00 0.00 C ATOM 431 CG2 VAL A 34 -5.676 -0.610 -3.244 1.00 0.00 C ATOM 0 H VAL A 34 -5.326 1.506 -5.561 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.102 1.365 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.791 -0.488 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.713 -2.352 -3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.526 -1.167 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.977 -1.189 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.002 -1.643 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.395 -0.440 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.490 0.063 -3.515 1.00 0.00 H new ATOM 441 N GLY A 35 -1.706 1.479 -3.313 1.00 0.00 N ATOM 442 CA GLY A 35 -0.276 1.658 -3.494 1.00 0.00 C ATOM 443 C GLY A 35 0.446 1.701 -2.146 1.00 0.00 C ATOM 444 O GLY A 35 0.242 2.623 -1.358 1.00 0.00 O ATOM 0 H GLY A 35 -2.023 1.527 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.123 0.843 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.088 2.582 -4.041 1.00 0.00 H new ATOM 448 N GLN A 36 1.275 0.691 -1.922 1.00 0.00 N ATOM 449 CA GLN A 36 2.028 0.602 -0.681 1.00 0.00 C ATOM 450 C GLN A 36 2.842 1.880 -0.462 1.00 0.00 C ATOM 451 O GLN A 36 3.996 1.965 -0.876 1.00 0.00 O ATOM 452 CB GLN A 36 2.935 -0.631 -0.678 1.00 0.00 C ATOM 453 CG GLN A 36 2.156 -1.885 -1.080 1.00 0.00 C ATOM 454 CD GLN A 36 3.036 -2.842 -1.885 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.251 -3.985 -1.519 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.531 -2.314 -3.000 1.00 0.00 N ATOM 0 H GLN A 36 1.442 -0.072 -2.578 1.00 0.00 H new ATOM 0 HA GLN A 36 1.322 0.497 0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.765 -0.478 -1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.365 -0.768 0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.786 -2.389 -0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.285 -1.602 -1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.312 -1.349 -3.249 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.130 -2.873 -3.607 1.00 0.00 H new ATOM 465 N CYS A 37 2.205 2.842 0.190 1.00 0.00 N ATOM 466 CA CYS A 37 2.854 4.112 0.470 1.00 0.00 C ATOM 467 C CYS A 37 3.372 4.079 1.908 1.00 0.00 C ATOM 468 O CYS A 37 2.767 3.453 2.777 1.00 0.00 O ATOM 469 CB CYS A 37 1.913 5.294 0.229 1.00 0.00 C ATOM 470 SG CYS A 37 2.703 6.765 -0.521 1.00 0.00 S ATOM 0 H CYS A 37 1.247 2.768 0.532 1.00 0.00 H new ATOM 0 HA CYS A 37 3.691 4.254 -0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.100 4.966 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.466 5.584 1.180 1.00 0.00 H new ATOM 475 N ALA A 38 4.488 4.762 2.118 1.00 0.00 N ATOM 476 CA ALA A 38 5.095 4.819 3.438 1.00 0.00 C ATOM 477 C ALA A 38 6.511 5.385 3.317 1.00 0.00 C ATOM 478 O ALA A 38 7.018 5.575 2.214 1.00 0.00 O ATOM 479 CB ALA A 38 5.075 3.427 4.069 1.00 0.00 C ATOM 0 H ALA A 38 4.988 5.281 1.396 1.00 0.00 H new ATOM 0 HA ALA A 38 4.530 5.481 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.530 3.470 5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.045 3.083 4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.636 2.735 3.441 1.00 0.00 H new ATOM 485 N TRP A 39 7.111 5.640 4.472 1.00 0.00 N ATOM 486 CA TRP A 39 8.459 6.181 4.511 1.00 0.00 C ATOM 487 C TRP A 39 9.420 5.090 4.033 1.00 0.00 C ATOM 488 O TRP A 39 9.972 4.348 4.843 1.00 0.00 O ATOM 489 CB TRP A 39 8.798 6.709 5.906 1.00 0.00 C ATOM 490 CG TRP A 39 8.296 5.818 7.047 1.00 0.00 C ATOM 491 CD1 TRP A 39 8.883 4.734 7.566 1.00 0.00 C ATOM 492 CD2 TRP A 39 7.070 5.986 7.790 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.130 4.191 8.588 1.00 0.00 N ATOM 494 CE2 TRP A 39 6.992 4.977 8.726 1.00 0.00 C ATOM 495 CE3 TRP A 39 6.059 6.958 7.674 1.00 0.00 C ATOM 496 CZ2 TRP A 39 5.923 4.840 9.621 1.00 0.00 C ATOM 497 CZ3 TRP A 39 4.999 6.808 8.574 1.00 0.00 C ATOM 498 CH2 TRP A 39 4.904 5.798 9.524 1.00 0.00 C ATOM 0 H TRP A 39 6.688 5.482 5.387 1.00 0.00 H new ATOM 0 HA TRP A 39 8.550 7.040 3.846 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.880 6.815 5.990 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.370 7.705 6.021 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.827 4.334 7.228 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.365 3.366 9.140 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.098 7.756 6.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.886 4.040 10.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 4.196 7.529 8.527 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.050 5.751 10.184 1.00 0.00 H new ATOM 509 N VAL A 40 9.590 5.029 2.721 1.00 0.00 N ATOM 510 CA VAL A 40 10.474 4.040 2.126 1.00 0.00 C ATOM 511 C VAL A 40 11.903 4.590 2.104 1.00 0.00 C ATOM 512 O VAL A 40 12.838 3.913 2.529 1.00 0.00 O ATOM 513 CB VAL A 40 9.961 3.647 0.740 1.00 0.00 C ATOM 514 CG1 VAL A 40 10.800 4.302 -0.359 1.00 0.00 C ATOM 515 CG2 VAL A 40 9.935 2.126 0.575 1.00 0.00 C ATOM 0 H VAL A 40 9.131 5.648 2.053 1.00 0.00 H new ATOM 0 HA VAL A 40 10.486 3.128 2.722 1.00 0.00 H new ATOM 0 HB VAL A 40 8.938 4.012 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.415 4.007 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.746 5.386 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.837 3.980 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.566 1.874 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.943 1.729 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.278 1.690 1.327 1.00 0.00 H new ATOM 525 N ASP A 41 12.025 5.810 1.601 1.00 0.00 N ATOM 526 CA ASP A 41 13.324 6.456 1.516 1.00 0.00 C ATOM 527 C ASP A 41 13.562 7.279 2.786 1.00 0.00 C ATOM 528 O ASP A 41 12.654 7.449 3.598 1.00 0.00 O ATOM 529 CB ASP A 41 13.388 7.407 0.320 1.00 0.00 C ATOM 530 CG ASP A 41 14.448 8.506 0.422 1.00 0.00 C ATOM 531 OD1 ASP A 41 14.053 9.687 0.308 1.00 0.00 O ATOM 532 OD2 ASP A 41 15.627 8.141 0.615 1.00 0.00 O ATOM 0 H ASP A 41 11.247 6.367 1.249 1.00 0.00 H new ATOM 0 HA ASP A 41 14.081 5.680 1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.578 6.822 -0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.412 7.875 0.195 1.00 0.00 H new ATOM 538 N THR A 42 14.788 7.764 2.916 1.00 0.00 N ATOM 539 CA THR A 42 15.157 8.562 4.071 1.00 0.00 C ATOM 540 C THR A 42 13.965 9.399 4.543 1.00 0.00 C ATOM 541 O THR A 42 13.732 10.495 4.036 1.00 0.00 O ATOM 542 CB THR A 42 16.379 9.404 3.694 1.00 0.00 C ATOM 543 OG1 THR A 42 17.424 8.446 3.539 1.00 0.00 O ATOM 544 CG2 THR A 42 16.856 10.294 4.845 1.00 0.00 C ATOM 0 H THR A 42 15.538 7.619 2.240 1.00 0.00 H new ATOM 0 HA THR A 42 15.428 7.931 4.918 1.00 0.00 H new ATOM 0 HB THR A 42 16.140 10.025 2.831 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.254 8.905 3.292 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.724 10.869 4.524 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.056 10.975 5.134 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.128 9.672 5.698 1.00 0.00 H new ATOM 552 N GLY A 43 13.246 8.852 5.510 1.00 0.00 N ATOM 553 CA GLY A 43 12.084 9.534 6.056 1.00 0.00 C ATOM 554 C GLY A 43 11.225 10.134 4.942 1.00 0.00 C ATOM 555 O GLY A 43 10.503 11.106 5.164 1.00 0.00 O ATOM 0 H GLY A 43 13.445 7.944 5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.489 8.833 6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.407 10.323 6.735 1.00 0.00 H new ATOM 559 N VAL A 44 11.332 9.530 3.767 1.00 0.00 N ATOM 560 CA VAL A 44 10.573 9.993 2.616 1.00 0.00 C ATOM 561 C VAL A 44 9.399 9.044 2.371 1.00 0.00 C ATOM 562 O VAL A 44 9.597 7.846 2.163 1.00 0.00 O ATOM 563 CB VAL A 44 11.496 10.131 1.405 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.714 9.966 0.099 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.239 11.468 1.432 1.00 0.00 C ATOM 0 H VAL A 44 11.932 8.725 3.587 1.00 0.00 H new ATOM 0 HA VAL A 44 10.156 10.982 2.804 1.00 0.00 H new ATOM 0 HB VAL A 44 12.238 9.334 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.393 10.069 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.250 8.980 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.941 10.732 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.889 11.541 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.518 12.285 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.840 11.532 2.339 1.00 0.00 H new ATOM 575 N LEU A 45 8.202 9.613 2.400 1.00 0.00 N ATOM 576 CA LEU A 45 6.998 8.831 2.182 1.00 0.00 C ATOM 577 C LEU A 45 6.872 8.500 0.694 1.00 0.00 C ATOM 578 O LEU A 45 6.239 9.237 -0.059 1.00 0.00 O ATOM 579 CB LEU A 45 5.779 9.557 2.756 1.00 0.00 C ATOM 580 CG LEU A 45 4.721 8.673 3.418 1.00 0.00 C ATOM 581 CD1 LEU A 45 3.823 9.491 4.347 1.00 0.00 C ATOM 582 CD2 LEU A 45 3.913 7.904 2.370 1.00 0.00 C ATOM 0 H LEU A 45 8.041 10.606 2.571 1.00 0.00 H new ATOM 0 HA LEU A 45 7.057 7.882 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.127 10.284 3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.303 10.118 1.952 1.00 0.00 H new ATOM 0 HG LEU A 45 5.233 7.935 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.080 8.837 4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.430 9.952 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.318 10.268 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.168 7.284 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.413 8.610 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.582 7.270 1.788 1.00 0.00 H new ATOM 594 N ALA A 46 7.485 7.388 0.316 1.00 0.00 N ATOM 595 CA ALA A 46 7.451 6.948 -1.070 1.00 0.00 C ATOM 596 C ALA A 46 6.343 5.908 -1.243 1.00 0.00 C ATOM 597 O ALA A 46 6.064 5.135 -0.328 1.00 0.00 O ATOM 598 CB ALA A 46 8.826 6.409 -1.469 1.00 0.00 C ATOM 0 H ALA A 46 8.008 6.778 0.944 1.00 0.00 H new ATOM 0 HA ALA A 46 7.225 7.783 -1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.800 6.079 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.572 7.196 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.087 5.567 -0.828 1.00 0.00 H new ATOM 604 N CYS A 47 5.741 5.923 -2.423 1.00 0.00 N ATOM 605 CA CYS A 47 4.670 4.989 -2.727 1.00 0.00 C ATOM 606 C CYS A 47 5.236 3.883 -3.619 1.00 0.00 C ATOM 607 O CYS A 47 6.224 4.090 -4.321 1.00 0.00 O ATOM 608 CB CYS A 47 3.476 5.692 -3.376 1.00 0.00 C ATOM 609 SG CYS A 47 2.794 7.093 -2.415 1.00 0.00 S ATOM 0 H CYS A 47 5.974 6.566 -3.179 1.00 0.00 H new ATOM 0 HA CYS A 47 4.292 4.550 -1.803 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.777 6.056 -4.358 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.684 4.960 -3.536 1.00 0.00 H new ATOM 614 N ASN A 48 4.583 2.731 -3.567 1.00 0.00 N ATOM 615 CA ASN A 48 5.007 1.592 -4.361 1.00 0.00 C ATOM 616 C ASN A 48 4.255 1.595 -5.694 1.00 0.00 C ATOM 617 O ASN A 48 3.049 1.358 -5.729 1.00 0.00 O ATOM 618 CB ASN A 48 4.699 0.276 -3.647 1.00 0.00 C ATOM 619 CG ASN A 48 5.851 -0.135 -2.729 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.728 -0.901 -3.093 1.00 0.00 O ATOM 621 ND2 ASN A 48 5.803 0.418 -1.519 1.00 0.00 N ATOM 0 H ASN A 48 3.762 2.563 -2.986 1.00 0.00 H new ATOM 0 HA ASN A 48 6.083 1.673 -4.517 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.784 0.381 -3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.519 -0.507 -4.383 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.528 0.208 -0.833 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.041 1.051 -1.278 1.00 0.00 H new ATOM 628 N PRO A 49 5.019 1.874 -6.784 1.00 0.00 N ATOM 629 CA PRO A 49 4.435 1.912 -8.115 1.00 0.00 C ATOM 630 C PRO A 49 4.152 0.498 -8.629 1.00 0.00 C ATOM 631 O PRO A 49 3.790 0.318 -9.790 1.00 0.00 O ATOM 632 CB PRO A 49 5.447 2.661 -8.966 1.00 0.00 C ATOM 633 CG PRO A 49 6.759 2.610 -8.198 1.00 0.00 C ATOM 634 CD PRO A 49 6.450 2.160 -6.780 1.00 0.00 C ATOM 0 HA PRO A 49 3.467 2.413 -8.137 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.551 2.198 -9.947 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.131 3.691 -9.132 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.454 1.919 -8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.237 3.590 -8.192 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.029 1.277 -6.510 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.696 2.937 -6.056 1.00 0.00 H new ATOM 642 N ALA A 50 4.332 -0.468 -7.740 1.00 0.00 N ATOM 643 CA ALA A 50 4.101 -1.860 -8.090 1.00 0.00 C ATOM 644 C ALA A 50 2.797 -2.332 -7.445 1.00 0.00 C ATOM 645 O ALA A 50 2.365 -3.463 -7.669 1.00 0.00 O ATOM 646 CB ALA A 50 5.304 -2.701 -7.659 1.00 0.00 C ATOM 0 H ALA A 50 4.635 -0.315 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 50 3.995 -1.973 -9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.131 -3.745 -7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.199 -2.343 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.440 -2.616 -6.581 1.00 0.00 H new ATOM 652 N ASP A 51 2.207 -1.446 -6.658 1.00 0.00 N ATOM 653 CA ASP A 51 0.961 -1.760 -5.979 1.00 0.00 C ATOM 654 C ASP A 51 -0.155 -0.873 -6.535 1.00 0.00 C ATOM 655 O ASP A 51 -1.292 -0.933 -6.069 1.00 0.00 O ATOM 656 CB ASP A 51 1.071 -1.494 -4.475 1.00 0.00 C ATOM 657 CG ASP A 51 -0.243 -1.608 -3.701 1.00 0.00 C ATOM 658 OD1 ASP A 51 -0.423 -0.799 -2.767 1.00 0.00 O ATOM 659 OD2 ASP A 51 -1.037 -2.503 -4.061 1.00 0.00 O ATOM 0 H ASP A 51 2.568 -0.510 -6.475 1.00 0.00 H new ATOM 0 HA ASP A 51 0.743 -2.815 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.788 -2.195 -4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.477 -0.493 -4.327 1.00 0.00 H new ATOM 665 N PHE A 52 0.210 -0.068 -7.523 1.00 0.00 N ATOM 666 CA PHE A 52 -0.747 0.830 -8.148 1.00 0.00 C ATOM 667 C PHE A 52 -1.929 0.053 -8.732 1.00 0.00 C ATOM 668 O PHE A 52 -1.787 -0.631 -9.745 1.00 0.00 O ATOM 669 CB PHE A 52 -0.013 1.546 -9.283 1.00 0.00 C ATOM 670 CG PHE A 52 0.550 2.916 -8.892 1.00 0.00 C ATOM 671 CD1 PHE A 52 -0.183 3.756 -8.117 1.00 0.00 C ATOM 672 CD2 PHE A 52 1.785 3.289 -9.322 1.00 0.00 C ATOM 673 CE1 PHE A 52 0.339 5.026 -7.755 1.00 0.00 C ATOM 674 CE2 PHE A 52 2.308 4.559 -8.961 1.00 0.00 C ATOM 675 CZ PHE A 52 1.574 5.399 -8.185 1.00 0.00 C ATOM 0 H PHE A 52 1.154 -0.019 -7.906 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.137 1.530 -7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.804 0.914 -9.629 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.697 1.671 -10.122 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.163 3.458 -7.776 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.368 2.620 -9.938 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.244 5.695 -7.139 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.288 4.857 -9.303 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.972 6.364 -7.909 1.00 0.00 H new ATOM 685 N SER A 53 -3.068 0.182 -8.069 1.00 0.00 N ATOM 686 CA SER A 53 -4.273 -0.499 -8.509 1.00 0.00 C ATOM 687 C SER A 53 -5.510 0.271 -8.040 1.00 0.00 C ATOM 688 O SER A 53 -5.952 0.109 -6.904 1.00 0.00 O ATOM 689 CB SER A 53 -4.313 -1.936 -7.988 1.00 0.00 C ATOM 690 OG SER A 53 -5.470 -2.636 -8.442 1.00 0.00 O ATOM 0 H SER A 53 -3.182 0.749 -7.229 1.00 0.00 H new ATOM 0 HA SER A 53 -4.268 -0.536 -9.598 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.418 -2.465 -8.314 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.299 -1.927 -6.898 1.00 0.00 H new ATOM 0 HG SER A 53 -5.230 -3.205 -9.203 1.00 0.00 H new ATOM 696 N SER A 54 -6.034 1.090 -8.939 1.00 0.00 N ATOM 697 CA SER A 54 -7.211 1.884 -8.632 1.00 0.00 C ATOM 698 C SER A 54 -8.382 0.968 -8.275 1.00 0.00 C ATOM 699 O SER A 54 -8.653 -0.001 -8.980 1.00 0.00 O ATOM 700 CB SER A 54 -7.587 2.791 -9.807 1.00 0.00 C ATOM 701 OG SER A 54 -7.598 2.083 -11.044 1.00 0.00 O ATOM 0 H SER A 54 -5.665 1.221 -9.881 1.00 0.00 H new ATOM 0 HA SER A 54 -6.980 2.519 -7.777 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.570 3.226 -9.629 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.879 3.618 -9.868 1.00 0.00 H new ATOM 0 HG SER A 54 -7.844 2.695 -11.769 1.00 0.00 H new ATOM 707 N VAL A 55 -9.043 1.306 -7.178 1.00 0.00 N ATOM 708 CA VAL A 55 -10.179 0.525 -6.717 1.00 0.00 C ATOM 709 C VAL A 55 -11.190 1.454 -6.041 1.00 0.00 C ATOM 710 O VAL A 55 -10.848 2.568 -5.646 1.00 0.00 O ATOM 711 CB VAL A 55 -9.702 -0.605 -5.803 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.520 -0.109 -4.368 1.00 0.00 C ATOM 713 CG2 VAL A 55 -10.661 -1.794 -5.857 1.00 0.00 C ATOM 0 H VAL A 55 -8.814 2.111 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.684 0.052 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.731 -0.943 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.180 -0.932 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.779 0.691 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.470 0.268 -3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.299 -2.584 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.652 -1.477 -5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.717 -2.171 -6.878 1.00 0.00 H new ATOM 723 N THR A 56 -12.415 0.962 -5.927 1.00 0.00 N ATOM 724 CA THR A 56 -13.477 1.733 -5.306 1.00 0.00 C ATOM 725 C THR A 56 -14.062 0.970 -4.115 1.00 0.00 C ATOM 726 O THR A 56 -13.927 -0.249 -4.025 1.00 0.00 O ATOM 727 CB THR A 56 -14.512 2.064 -6.382 1.00 0.00 C ATOM 728 OG1 THR A 56 -15.052 3.318 -5.969 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.712 1.115 -6.353 1.00 0.00 C ATOM 0 H THR A 56 -12.695 0.038 -6.255 1.00 0.00 H new ATOM 0 HA THR A 56 -13.099 2.671 -4.899 1.00 0.00 H new ATOM 0 HB THR A 56 -14.041 2.023 -7.364 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.675 3.566 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.416 1.395 -7.137 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.372 0.093 -6.519 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.204 1.181 -5.383 1.00 0.00 H new ATOM 737 N ALA A 57 -14.700 1.722 -3.227 1.00 0.00 N ATOM 738 CA ALA A 57 -15.306 1.131 -2.046 1.00 0.00 C ATOM 739 C ALA A 57 -16.824 1.093 -2.223 1.00 0.00 C ATOM 740 O ALA A 57 -17.422 2.056 -2.704 1.00 0.00 O ATOM 741 CB ALA A 57 -14.884 1.923 -0.807 1.00 0.00 C ATOM 0 H ALA A 57 -14.810 2.733 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.964 0.105 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.338 1.481 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.799 1.897 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.214 2.957 -0.906 1.00 0.00 H new ATOM 747 N ASP A 58 -17.408 -0.028 -1.823 1.00 0.00 N ATOM 748 CA ASP A 58 -18.845 -0.203 -1.931 1.00 0.00 C ATOM 749 C ASP A 58 -19.546 0.752 -0.964 1.00 0.00 C ATOM 750 O ASP A 58 -18.956 1.183 0.026 1.00 0.00 O ATOM 751 CB ASP A 58 -19.254 -1.631 -1.564 1.00 0.00 C ATOM 752 CG ASP A 58 -18.278 -2.720 -2.015 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.304 -2.357 -2.709 1.00 0.00 O ATOM 754 OD2 ASP A 58 -18.531 -3.891 -1.658 1.00 0.00 O ATOM 0 H ASP A 58 -16.911 -0.824 -1.424 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.133 0.002 -2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.369 -1.693 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.231 -1.837 -2.001 1.00 0.00 H new ATOM 760 N ALA A 59 -20.796 1.056 -1.282 1.00 0.00 N ATOM 761 CA ALA A 59 -21.583 1.953 -0.454 1.00 0.00 C ATOM 762 C ALA A 59 -21.322 1.639 1.021 1.00 0.00 C ATOM 763 O ALA A 59 -21.323 2.538 1.859 1.00 0.00 O ATOM 764 CB ALA A 59 -23.063 1.824 -0.824 1.00 0.00 C ATOM 0 H ALA A 59 -21.283 0.696 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.292 2.989 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.653 2.497 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.200 2.085 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.391 0.798 -0.660 1.00 0.00 H new ATOM 770 N ASN A 60 -21.103 0.361 1.291 1.00 0.00 N ATOM 771 CA ASN A 60 -20.841 -0.082 2.650 1.00 0.00 C ATOM 772 C ASN A 60 -19.341 0.024 2.935 1.00 0.00 C ATOM 773 O ASN A 60 -18.776 -0.824 3.625 1.00 0.00 O ATOM 774 CB ASN A 60 -21.256 -1.543 2.843 1.00 0.00 C ATOM 775 CG ASN A 60 -22.092 -1.710 4.113 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.790 -0.811 4.552 1.00 0.00 O ATOM 777 ND2 ASN A 60 -21.981 -2.910 4.679 1.00 0.00 N ATOM 0 H ASN A 60 -21.102 -0.382 0.592 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.416 0.549 3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.829 -1.880 1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.368 -2.173 2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.498 -3.121 5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.379 -3.618 4.259 1.00 0.00 H new ATOM 784 N GLY A 61 -18.740 1.071 2.390 1.00 0.00 N ATOM 785 CA GLY A 61 -17.317 1.299 2.578 1.00 0.00 C ATOM 786 C GLY A 61 -16.539 -0.017 2.528 1.00 0.00 C ATOM 787 O GLY A 61 -15.625 -0.233 3.320 1.00 0.00 O ATOM 0 H GLY A 61 -19.212 1.771 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.948 1.973 1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.147 1.790 3.536 1.00 0.00 H new ATOM 791 N SER A 62 -16.932 -0.864 1.587 1.00 0.00 N ATOM 792 CA SER A 62 -16.284 -2.154 1.422 1.00 0.00 C ATOM 793 C SER A 62 -15.332 -2.112 0.224 1.00 0.00 C ATOM 794 O SER A 62 -15.768 -2.201 -0.922 1.00 0.00 O ATOM 795 CB SER A 62 -17.315 -3.269 1.243 1.00 0.00 C ATOM 796 OG SER A 62 -18.524 -2.999 1.947 1.00 0.00 O ATOM 0 H SER A 62 -17.691 -0.682 0.931 1.00 0.00 H new ATOM 0 HA SER A 62 -15.712 -2.368 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.534 -3.393 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.894 -4.211 1.594 1.00 0.00 H new ATOM 0 HG SER A 62 -18.372 -2.279 2.594 1.00 0.00 H new ATOM 802 N ALA A 63 -14.051 -1.976 0.533 1.00 0.00 N ATOM 803 CA ALA A 63 -13.035 -1.920 -0.503 1.00 0.00 C ATOM 804 C ALA A 63 -12.269 -3.244 -0.531 1.00 0.00 C ATOM 805 O ALA A 63 -11.154 -3.334 -0.019 1.00 0.00 O ATOM 806 CB ALA A 63 -12.118 -0.722 -0.257 1.00 0.00 C ATOM 0 H ALA A 63 -13.694 -1.903 1.486 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.494 -1.782 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.356 -0.681 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.706 0.196 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.638 -0.825 0.716 1.00 0.00 H new ATOM 812 N SER A 64 -12.898 -4.242 -1.137 1.00 0.00 N ATOM 813 CA SER A 64 -12.291 -5.558 -1.237 1.00 0.00 C ATOM 814 C SER A 64 -11.472 -5.658 -2.527 1.00 0.00 C ATOM 815 O SER A 64 -11.918 -6.253 -3.505 1.00 0.00 O ATOM 816 CB SER A 64 -13.352 -6.660 -1.196 1.00 0.00 C ATOM 817 OG SER A 64 -14.340 -6.486 -2.208 1.00 0.00 O ATOM 0 H SER A 64 -13.821 -4.165 -1.563 1.00 0.00 H new ATOM 0 HA SER A 64 -11.630 -5.696 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.872 -7.631 -1.321 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.832 -6.665 -0.217 1.00 0.00 H new ATOM 0 HG SER A 64 -13.901 -6.332 -3.071 1.00 0.00 H new ATOM 823 N THR A 65 -10.287 -5.067 -2.483 1.00 0.00 N ATOM 824 CA THR A 65 -9.401 -5.083 -3.634 1.00 0.00 C ATOM 825 C THR A 65 -8.209 -6.007 -3.381 1.00 0.00 C ATOM 826 O THR A 65 -7.541 -5.896 -2.351 1.00 0.00 O ATOM 827 CB THR A 65 -8.995 -3.639 -3.939 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.301 -3.726 -5.180 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.946 -3.107 -2.962 1.00 0.00 C ATOM 0 H THR A 65 -9.920 -4.574 -1.669 1.00 0.00 H new ATOM 0 HA THR A 65 -9.904 -5.488 -4.512 1.00 0.00 H new ATOM 0 HB THR A 65 -9.878 -3.001 -3.907 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.990 -2.835 -5.444 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.694 -2.079 -3.223 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.345 -3.136 -1.948 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.050 -3.726 -3.017 1.00 0.00 H new ATOM 837 N SER A 66 -7.977 -6.898 -4.334 1.00 0.00 N ATOM 838 CA SER A 66 -6.878 -7.840 -4.225 1.00 0.00 C ATOM 839 C SER A 66 -5.673 -7.335 -5.023 1.00 0.00 C ATOM 840 O SER A 66 -5.836 -6.675 -6.048 1.00 0.00 O ATOM 841 CB SER A 66 -7.291 -9.230 -4.711 1.00 0.00 C ATOM 842 OG SER A 66 -7.249 -9.333 -6.132 1.00 0.00 O ATOM 0 H SER A 66 -8.532 -6.987 -5.185 1.00 0.00 H new ATOM 0 HA SER A 66 -6.602 -7.920 -3.174 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.630 -9.978 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.299 -9.452 -4.361 1.00 0.00 H new ATOM 0 HG SER A 66 -7.518 -10.236 -6.403 1.00 0.00 H new ATOM 848 N LEU A 67 -4.492 -7.667 -4.525 1.00 0.00 N ATOM 849 CA LEU A 67 -3.261 -7.253 -5.179 1.00 0.00 C ATOM 850 C LEU A 67 -2.122 -8.176 -4.739 1.00 0.00 C ATOM 851 O LEU A 67 -2.336 -9.108 -3.967 1.00 0.00 O ATOM 852 CB LEU A 67 -2.987 -5.771 -4.921 1.00 0.00 C ATOM 853 CG LEU A 67 -2.844 -4.891 -6.164 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.559 -5.220 -6.925 1.00 0.00 C ATOM 855 CD2 LEU A 67 -4.082 -4.995 -7.057 1.00 0.00 C ATOM 0 H LEU A 67 -4.360 -8.218 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.353 -7.350 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.797 -5.373 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.073 -5.687 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.769 -3.853 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.483 -4.580 -7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.699 -5.051 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.578 -6.264 -7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.953 -4.359 -7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.215 -6.029 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.961 -4.671 -6.500 1.00 0.00 H new ATOM 867 N THR A 68 -0.935 -7.881 -5.250 1.00 0.00 N ATOM 868 CA THR A 68 0.239 -8.672 -4.920 1.00 0.00 C ATOM 869 C THR A 68 1.150 -7.900 -3.963 1.00 0.00 C ATOM 870 O THR A 68 1.494 -6.748 -4.222 1.00 0.00 O ATOM 871 CB THR A 68 0.928 -9.067 -6.228 1.00 0.00 C ATOM 872 OG1 THR A 68 1.861 -10.069 -5.839 1.00 0.00 O ATOM 873 CG2 THR A 68 1.799 -7.942 -6.793 1.00 0.00 C ATOM 0 H THR A 68 -0.761 -7.106 -5.890 1.00 0.00 H new ATOM 0 HA THR A 68 -0.036 -9.585 -4.393 1.00 0.00 H new ATOM 0 HB THR A 68 0.176 -9.348 -6.965 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.351 -10.383 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.265 -8.274 -7.721 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.180 -7.067 -6.990 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.573 -7.683 -6.070 1.00 0.00 H new ATOM 881 N VAL A 69 1.513 -8.565 -2.877 1.00 0.00 N ATOM 882 CA VAL A 69 2.378 -7.955 -1.879 1.00 0.00 C ATOM 883 C VAL A 69 3.838 -8.217 -2.249 1.00 0.00 C ATOM 884 O VAL A 69 4.428 -9.204 -1.812 1.00 0.00 O ATOM 885 CB VAL A 69 2.014 -8.470 -0.487 1.00 0.00 C ATOM 886 CG1 VAL A 69 2.907 -7.838 0.584 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.534 -8.225 -0.180 1.00 0.00 C ATOM 0 H VAL A 69 1.225 -9.520 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 69 2.236 -6.875 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 69 2.186 -9.546 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.626 -8.222 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.949 -8.086 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.782 -6.755 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.302 -8.601 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.326 -7.156 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.081 -8.743 -0.916 1.00 0.00 H new ATOM 897 N ARG A 70 4.382 -7.312 -3.051 1.00 0.00 N ATOM 898 CA ARG A 70 5.764 -7.433 -3.485 1.00 0.00 C ATOM 899 C ARG A 70 6.632 -6.383 -2.790 1.00 0.00 C ATOM 900 O ARG A 70 6.956 -5.352 -3.380 1.00 0.00 O ATOM 901 CB ARG A 70 5.883 -7.260 -5.002 1.00 0.00 C ATOM 902 CG ARG A 70 5.276 -8.456 -5.737 1.00 0.00 C ATOM 903 CD ARG A 70 6.370 -9.312 -6.384 1.00 0.00 C ATOM 904 NE ARG A 70 5.759 -10.460 -7.093 1.00 0.00 N ATOM 905 CZ ARG A 70 5.277 -10.401 -8.342 1.00 0.00 C ATOM 906 NH1 ARG A 70 5.328 -9.250 -9.027 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.742 -11.492 -8.905 1.00 0.00 N ATOM 0 H ARG A 70 3.891 -6.493 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 70 6.109 -8.431 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.377 -6.345 -5.308 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.932 -7.152 -5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.699 -9.063 -5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.583 -8.105 -6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.950 -8.709 -7.083 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.062 -9.671 -5.622 1.00 0.00 H new ATOM 0 HE ARG A 70 5.702 -11.351 -6.600 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.734 -8.419 -8.598 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.961 -9.206 -9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.701 -12.367 -8.383 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.375 -11.447 -9.856 1.00 0.00 H new ATOM 921 N ARG A 71 6.983 -6.678 -1.547 1.00 0.00 N ATOM 922 CA ARG A 71 7.806 -5.773 -0.766 1.00 0.00 C ATOM 923 C ARG A 71 9.013 -5.310 -1.585 1.00 0.00 C ATOM 924 O ARG A 71 9.568 -4.243 -1.332 1.00 0.00 O ATOM 925 CB ARG A 71 8.297 -6.443 0.519 1.00 0.00 C ATOM 926 CG ARG A 71 7.932 -5.607 1.748 1.00 0.00 C ATOM 927 CD ARG A 71 6.642 -6.116 2.394 1.00 0.00 C ATOM 928 NE ARG A 71 5.489 -5.832 1.510 1.00 0.00 N ATOM 929 CZ ARG A 71 4.639 -4.812 1.690 1.00 0.00 C ATOM 930 NH1 ARG A 71 4.808 -3.972 2.719 1.00 0.00 N ATOM 931 NH2 ARG A 71 3.620 -4.630 0.838 1.00 0.00 N ATOM 0 H ARG A 71 6.711 -7.533 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 71 7.191 -4.913 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.857 -7.436 0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.378 -6.576 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.745 -5.645 2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.811 -4.563 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.715 -7.188 2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.496 -5.636 3.362 1.00 0.00 H new ATOM 0 HE ARG A 71 5.332 -6.451 0.715 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.584 -4.108 3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.161 -3.196 2.855 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.492 -5.268 0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.973 -3.853 0.975 1.00 0.00 H new ATOM 945 N SER A 72 9.383 -6.139 -2.550 1.00 0.00 N ATOM 946 CA SER A 72 10.514 -5.830 -3.408 1.00 0.00 C ATOM 947 C SER A 72 10.034 -5.094 -4.663 1.00 0.00 C ATOM 948 O SER A 72 9.347 -5.673 -5.500 1.00 0.00 O ATOM 949 CB SER A 72 11.275 -7.099 -3.797 1.00 0.00 C ATOM 950 OG SER A 72 10.682 -7.755 -4.913 1.00 0.00 O ATOM 0 H SER A 72 8.920 -7.024 -2.757 1.00 0.00 H new ATOM 0 HA SER A 72 11.196 -5.185 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.308 -6.844 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.301 -7.781 -2.947 1.00 0.00 H new ATOM 0 HG SER A 72 9.836 -7.315 -5.139 1.00 0.00 H new ATOM 956 N PHE A 73 10.417 -3.827 -4.749 1.00 0.00 N ATOM 957 CA PHE A 73 10.034 -3.008 -5.887 1.00 0.00 C ATOM 958 C PHE A 73 10.604 -1.595 -5.758 1.00 0.00 C ATOM 959 O PHE A 73 10.996 -1.175 -4.671 1.00 0.00 O ATOM 960 CB PHE A 73 8.505 -2.932 -5.889 1.00 0.00 C ATOM 961 CG PHE A 73 7.840 -3.799 -6.958 1.00 0.00 C ATOM 962 CD1 PHE A 73 8.165 -3.633 -8.267 1.00 0.00 C ATOM 963 CD2 PHE A 73 6.924 -4.738 -6.597 1.00 0.00 C ATOM 964 CE1 PHE A 73 7.546 -4.437 -9.260 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.306 -5.543 -7.590 1.00 0.00 C ATOM 966 CZ PHE A 73 6.630 -5.377 -8.900 1.00 0.00 C ATOM 0 H PHE A 73 10.987 -3.349 -4.051 1.00 0.00 H new ATOM 0 HA PHE A 73 10.420 -3.444 -6.808 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.135 -3.234 -4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.203 -1.895 -6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.894 -2.889 -8.552 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.667 -4.871 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.802 -4.303 -10.301 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.578 -6.288 -7.304 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.161 -5.991 -9.655 1.00 0.00 H new ATOM 976 N GLU A 74 10.631 -0.899 -6.885 1.00 0.00 N ATOM 977 CA GLU A 74 11.148 0.461 -6.912 1.00 0.00 C ATOM 978 C GLU A 74 10.068 1.446 -6.468 1.00 0.00 C ATOM 979 O GLU A 74 9.061 1.622 -7.150 1.00 0.00 O ATOM 980 CB GLU A 74 11.676 0.817 -8.304 1.00 0.00 C ATOM 981 CG GLU A 74 12.210 2.252 -8.337 1.00 0.00 C ATOM 982 CD GLU A 74 11.888 2.926 -9.673 1.00 0.00 C ATOM 983 OE1 GLU A 74 12.693 3.793 -10.078 1.00 0.00 O ATOM 984 OE2 GLU A 74 10.846 2.559 -10.257 1.00 0.00 O ATOM 0 H GLU A 74 10.304 -1.250 -7.785 1.00 0.00 H new ATOM 0 HA GLU A 74 11.982 0.528 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.469 0.123 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.879 0.705 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.771 2.826 -7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.288 2.246 -8.179 1.00 0.00 H new ATOM 992 N GLY A 75 10.314 2.065 -5.322 1.00 0.00 N ATOM 993 CA GLY A 75 9.376 3.031 -4.775 1.00 0.00 C ATOM 994 C GLY A 75 9.615 4.423 -5.364 1.00 0.00 C ATOM 995 O GLY A 75 10.668 4.683 -5.944 1.00 0.00 O ATOM 0 H GLY A 75 11.150 1.916 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.355 2.713 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.479 3.069 -3.690 1.00 0.00 H new ATOM 999 N PHE A 76 8.621 5.283 -5.194 1.00 0.00 N ATOM 1000 CA PHE A 76 8.711 6.641 -5.700 1.00 0.00 C ATOM 1001 C PHE A 76 8.600 7.658 -4.563 1.00 0.00 C ATOM 1002 O PHE A 76 7.609 7.678 -3.837 1.00 0.00 O ATOM 1003 CB PHE A 76 7.537 6.839 -6.660 1.00 0.00 C ATOM 1004 CG PHE A 76 7.878 6.563 -8.127 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.718 5.544 -8.449 1.00 0.00 C ATOM 1006 CD2 PHE A 76 7.342 7.339 -9.107 1.00 0.00 C ATOM 1007 CE1 PHE A 76 9.035 5.288 -9.810 1.00 0.00 C ATOM 1008 CE2 PHE A 76 7.659 7.083 -10.467 1.00 0.00 C ATOM 1009 CZ PHE A 76 8.500 6.065 -10.789 1.00 0.00 C ATOM 0 H PHE A 76 7.749 5.065 -4.712 1.00 0.00 H new ATOM 0 HA PHE A 76 9.671 6.791 -6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.720 6.184 -6.358 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.175 7.863 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.144 4.929 -7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.676 8.149 -8.851 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.700 4.477 -10.067 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.232 7.697 -11.246 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.744 5.873 -11.824 1.00 0.00 H new ATOM 1019 N LEU A 77 9.634 8.479 -4.444 1.00 0.00 N ATOM 1020 CA LEU A 77 9.665 9.498 -3.408 1.00 0.00 C ATOM 1021 C LEU A 77 8.285 10.148 -3.296 1.00 0.00 C ATOM 1022 O LEU A 77 7.468 10.040 -4.209 1.00 0.00 O ATOM 1023 CB LEU A 77 10.796 10.494 -3.670 1.00 0.00 C ATOM 1024 CG LEU A 77 12.207 9.906 -3.736 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.189 10.905 -4.351 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.665 9.427 -2.356 1.00 0.00 C ATOM 0 H LEU A 77 10.456 8.459 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 77 9.885 9.050 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.593 11.005 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.776 11.251 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 77 12.184 9.034 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.184 10.462 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.868 11.156 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.216 11.810 -3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.671 9.013 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.668 10.267 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.983 8.659 -1.993 1.00 0.00 H new ATOM 1038 N PHE A 78 8.069 10.809 -2.168 1.00 0.00 N ATOM 1039 CA PHE A 78 6.801 11.478 -1.925 1.00 0.00 C ATOM 1040 C PHE A 78 6.704 12.779 -2.725 1.00 0.00 C ATOM 1041 O PHE A 78 5.610 13.221 -3.069 1.00 0.00 O ATOM 1042 CB PHE A 78 6.747 11.805 -0.433 1.00 0.00 C ATOM 1043 CG PHE A 78 7.205 13.224 -0.090 1.00 0.00 C ATOM 1044 CD1 PHE A 78 6.331 14.264 -0.188 1.00 0.00 C ATOM 1045 CD2 PHE A 78 8.485 13.449 0.313 1.00 0.00 C ATOM 1046 CE1 PHE A 78 6.757 15.581 0.129 1.00 0.00 C ATOM 1047 CE2 PHE A 78 8.909 14.766 0.632 1.00 0.00 C ATOM 1048 CZ PHE A 78 8.037 15.804 0.532 1.00 0.00 C ATOM 0 H PHE A 78 8.749 10.896 -1.413 1.00 0.00 H new ATOM 0 HA PHE A 78 5.976 10.834 -2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.725 11.668 -0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.370 11.092 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.314 14.087 -0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 78 9.179 12.625 0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.064 16.406 0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 78 9.925 14.943 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.360 16.806 0.773 1.00 0.00 H new ATOM 1058 N ASP A 79 7.867 13.358 -2.996 1.00 0.00 N ATOM 1059 CA ASP A 79 7.927 14.598 -3.747 1.00 0.00 C ATOM 1060 C ASP A 79 7.450 14.347 -5.180 1.00 0.00 C ATOM 1061 O ASP A 79 6.535 15.015 -5.659 1.00 0.00 O ATOM 1062 CB ASP A 79 9.360 15.133 -3.815 1.00 0.00 C ATOM 1063 CG ASP A 79 9.500 16.538 -4.398 1.00 0.00 C ATOM 1064 OD1 ASP A 79 10.649 17.028 -4.435 1.00 0.00 O ATOM 1065 OD2 ASP A 79 8.452 17.097 -4.794 1.00 0.00 O ATOM 0 H ASP A 79 8.773 12.989 -2.708 1.00 0.00 H new ATOM 0 HA ASP A 79 7.292 15.327 -3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.780 15.130 -2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.960 14.447 -4.413 1.00 0.00 H new ATOM 1071 N GLY A 80 8.090 13.380 -5.822 1.00 0.00 N ATOM 1072 CA GLY A 80 7.740 13.031 -7.188 1.00 0.00 C ATOM 1073 C GLY A 80 8.842 12.189 -7.838 1.00 0.00 C ATOM 1074 O GLY A 80 8.570 11.385 -8.727 1.00 0.00 O ATOM 0 H GLY A 80 8.848 12.828 -5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.801 12.477 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.580 13.939 -7.770 1.00 0.00 H new ATOM 1078 N THR A 81 10.061 12.404 -7.367 1.00 0.00 N ATOM 1079 CA THR A 81 11.205 11.674 -7.890 1.00 0.00 C ATOM 1080 C THR A 81 11.110 10.194 -7.512 1.00 0.00 C ATOM 1081 O THR A 81 10.428 9.838 -6.553 1.00 0.00 O ATOM 1082 CB THR A 81 12.475 12.354 -7.375 1.00 0.00 C ATOM 1083 OG1 THR A 81 12.565 13.550 -8.145 1.00 0.00 O ATOM 1084 CG2 THR A 81 13.743 11.580 -7.739 1.00 0.00 C ATOM 0 H THR A 81 10.282 13.073 -6.629 1.00 0.00 H new ATOM 0 HA THR A 81 11.226 11.698 -8.980 1.00 0.00 H new ATOM 0 HB THR A 81 12.415 12.462 -6.292 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.361 14.054 -7.875 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.615 12.106 -7.350 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.697 10.582 -7.304 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.822 11.500 -8.823 1.00 0.00 H new ATOM 1092 N ARG A 82 11.806 9.375 -8.286 1.00 0.00 N ATOM 1093 CA ARG A 82 11.811 7.941 -8.045 1.00 0.00 C ATOM 1094 C ARG A 82 12.955 7.566 -7.103 1.00 0.00 C ATOM 1095 O ARG A 82 14.079 8.041 -7.264 1.00 0.00 O ATOM 1096 CB ARG A 82 11.958 7.163 -9.353 1.00 0.00 C ATOM 1097 CG ARG A 82 11.144 7.813 -10.473 1.00 0.00 C ATOM 1098 CD ARG A 82 11.458 7.168 -11.825 1.00 0.00 C ATOM 1099 NE ARG A 82 12.054 8.170 -12.737 1.00 0.00 N ATOM 1100 CZ ARG A 82 11.403 9.244 -13.201 1.00 0.00 C ATOM 1101 NH1 ARG A 82 10.130 9.464 -12.842 1.00 0.00 N ATOM 1102 NH2 ARG A 82 12.024 10.101 -14.025 1.00 0.00 N ATOM 0 H ARG A 82 12.370 9.676 -9.080 1.00 0.00 H new ATOM 0 HA ARG A 82 10.858 7.678 -7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.009 7.122 -9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.627 6.135 -9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.080 7.715 -10.258 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.364 8.880 -10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.146 6.334 -11.688 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.547 6.761 -12.264 1.00 0.00 H new ATOM 0 HE ARG A 82 13.021 8.034 -13.030 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.657 8.813 -12.215 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.635 10.282 -13.196 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.993 9.935 -14.298 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.528 10.919 -14.378 1.00 0.00 H new ATOM 1116 N TRP A 83 12.632 6.716 -6.139 1.00 0.00 N ATOM 1117 CA TRP A 83 13.619 6.271 -5.170 1.00 0.00 C ATOM 1118 C TRP A 83 14.072 4.863 -5.570 1.00 0.00 C ATOM 1119 O TRP A 83 15.031 4.708 -6.323 1.00 0.00 O ATOM 1120 CB TRP A 83 13.061 6.336 -3.748 1.00 0.00 C ATOM 1121 CG TRP A 83 14.020 5.811 -2.677 1.00 0.00 C ATOM 1122 CD1 TRP A 83 13.853 4.759 -1.866 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.310 6.360 -2.335 1.00 0.00 C ATOM 1124 NE1 TRP A 83 14.936 4.588 -1.027 1.00 0.00 N ATOM 1125 CE2 TRP A 83 15.850 5.594 -1.323 1.00 0.00 C ATOM 1126 CE3 TRP A 83 15.999 7.466 -2.864 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.102 5.852 -0.750 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.247 7.710 -2.281 1.00 0.00 C ATOM 1129 CH2 TRP A 83 17.805 6.949 -1.260 1.00 0.00 C ATOM 0 H TRP A 83 11.700 6.323 -6.008 1.00 0.00 H new ATOM 0 HA TRP A 83 14.486 6.931 -5.172 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.805 7.370 -3.516 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.136 5.761 -3.705 1.00 0.00 H new ATOM 0 HD1 TRP A 83 12.980 4.123 -1.868 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.046 3.860 -0.321 1.00 0.00 H new ATOM 0 HE3 TRP A 83 15.597 8.078 -3.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 17.503 5.237 0.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 17.818 8.549 -2.650 1.00 0.00 H new ATOM 0 HH2 TRP A 83 18.776 7.203 -0.862 1.00 0.00 H new ATOM 1140 N GLY A 84 13.361 3.877 -5.045 1.00 0.00 N ATOM 1141 CA GLY A 84 13.678 2.489 -5.339 1.00 0.00 C ATOM 1142 C GLY A 84 13.435 1.603 -4.114 1.00 0.00 C ATOM 1143 O GLY A 84 12.398 0.949 -4.012 1.00 0.00 O ATOM 0 H GLY A 84 12.567 4.010 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.067 2.141 -6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.719 2.408 -5.651 1.00 0.00 H new ATOM 1147 N THR A 85 14.410 1.608 -3.218 1.00 0.00 N ATOM 1148 CA THR A 85 14.316 0.813 -2.005 1.00 0.00 C ATOM 1149 C THR A 85 14.367 -0.680 -2.342 1.00 0.00 C ATOM 1150 O THR A 85 15.231 -1.402 -1.847 1.00 0.00 O ATOM 1151 CB THR A 85 13.041 1.225 -1.266 1.00 0.00 C ATOM 1152 OG1 THR A 85 13.405 2.425 -0.590 1.00 0.00 O ATOM 1153 CG2 THR A 85 12.679 0.257 -0.138 1.00 0.00 C ATOM 0 H THR A 85 15.270 2.150 -3.307 1.00 0.00 H new ATOM 0 HA THR A 85 15.164 0.996 -1.345 1.00 0.00 H new ATOM 0 HB THR A 85 12.214 1.283 -1.974 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.921 2.998 -1.195 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.767 0.596 0.353 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.520 -0.739 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.491 0.224 0.588 1.00 0.00 H new ATOM 1161 N VAL A 86 13.431 -1.096 -3.181 1.00 0.00 N ATOM 1162 CA VAL A 86 13.359 -2.489 -3.589 1.00 0.00 C ATOM 1163 C VAL A 86 12.855 -3.334 -2.418 1.00 0.00 C ATOM 1164 O VAL A 86 11.664 -3.329 -2.110 1.00 0.00 O ATOM 1165 CB VAL A 86 14.718 -2.951 -4.119 1.00 0.00 C ATOM 1166 CG1 VAL A 86 14.665 -4.414 -4.563 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.198 -2.049 -5.258 1.00 0.00 C ATOM 0 H VAL A 86 12.716 -0.494 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 86 12.649 -2.611 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 86 15.439 -2.874 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.644 -4.717 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.389 -5.042 -3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.925 -4.527 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.166 -2.399 -5.616 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.476 -2.079 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.294 -1.025 -4.896 1.00 0.00 H new ATOM 1177 N ASP A 87 13.787 -4.041 -1.794 1.00 0.00 N ATOM 1178 CA ASP A 87 13.453 -4.888 -0.663 1.00 0.00 C ATOM 1179 C ASP A 87 12.955 -4.018 0.492 1.00 0.00 C ATOM 1180 O ASP A 87 13.754 -3.472 1.252 1.00 0.00 O ATOM 1181 CB ASP A 87 14.679 -5.664 -0.176 1.00 0.00 C ATOM 1182 CG ASP A 87 14.367 -6.939 0.610 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.727 -6.973 1.805 1.00 0.00 O ATOM 1184 OD2 ASP A 87 13.773 -7.853 -0.005 1.00 0.00 O ATOM 0 H ASP A 87 14.774 -4.044 -2.052 1.00 0.00 H new ATOM 0 HA ASP A 87 12.684 -5.591 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.290 -5.928 -1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.281 -5.007 0.451 1.00 0.00 H new ATOM 1190 N CYS A 88 11.637 -3.913 0.587 1.00 0.00 N ATOM 1191 CA CYS A 88 11.022 -3.119 1.636 1.00 0.00 C ATOM 1192 C CYS A 88 10.837 -4.007 2.867 1.00 0.00 C ATOM 1193 O CYS A 88 9.769 -4.017 3.475 1.00 0.00 O ATOM 1194 CB CYS A 88 9.702 -2.499 1.175 1.00 0.00 C ATOM 1195 SG CYS A 88 8.720 -1.711 2.505 1.00 0.00 S ATOM 0 H CYS A 88 10.978 -4.366 -0.047 1.00 0.00 H new ATOM 0 HA CYS A 88 11.672 -2.282 1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.915 -1.753 0.409 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.096 -3.274 0.706 1.00 0.00 H new ATOM 1200 N THR A 89 11.896 -4.734 3.197 1.00 0.00 N ATOM 1201 CA THR A 89 11.863 -5.625 4.343 1.00 0.00 C ATOM 1202 C THR A 89 12.222 -4.863 5.623 1.00 0.00 C ATOM 1203 O THR A 89 11.871 -5.288 6.721 1.00 0.00 O ATOM 1204 CB THR A 89 12.798 -6.802 4.057 1.00 0.00 C ATOM 1205 OG1 THR A 89 12.213 -7.441 2.925 1.00 0.00 O ATOM 1206 CG2 THR A 89 12.753 -7.868 5.153 1.00 0.00 C ATOM 0 H THR A 89 12.781 -4.723 2.690 1.00 0.00 H new ATOM 0 HA THR A 89 10.860 -6.020 4.506 1.00 0.00 H new ATOM 0 HB THR A 89 13.819 -6.437 3.951 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.826 -8.124 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.435 -8.680 4.899 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.053 -7.426 6.103 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.739 -8.259 5.239 1.00 0.00 H new ATOM 1214 N THR A 90 12.915 -3.750 5.433 1.00 0.00 N ATOM 1215 CA THR A 90 13.325 -2.924 6.557 1.00 0.00 C ATOM 1216 C THR A 90 12.248 -1.887 6.876 1.00 0.00 C ATOM 1217 O THR A 90 11.914 -1.672 8.041 1.00 0.00 O ATOM 1218 CB THR A 90 14.684 -2.307 6.219 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.597 -3.394 6.332 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.156 -1.313 7.281 1.00 0.00 C ATOM 0 H THR A 90 13.203 -3.401 4.519 1.00 0.00 H new ATOM 0 HA THR A 90 13.439 -3.517 7.464 1.00 0.00 H new ATOM 0 HB THR A 90 14.624 -1.805 5.253 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.503 -3.083 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.125 -0.905 6.992 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.432 -0.503 7.368 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.248 -1.822 8.240 1.00 0.00 H new ATOM 1228 N ALA A 91 11.735 -1.269 5.821 1.00 0.00 N ATOM 1229 CA ALA A 91 10.703 -0.258 5.975 1.00 0.00 C ATOM 1230 C ALA A 91 9.330 -0.933 5.974 1.00 0.00 C ATOM 1231 O ALA A 91 9.107 -1.896 5.242 1.00 0.00 O ATOM 1232 CB ALA A 91 10.840 0.786 4.866 1.00 0.00 C ATOM 0 H ALA A 91 12.015 -1.449 4.857 1.00 0.00 H new ATOM 0 HA ALA A 91 10.815 0.262 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.065 1.544 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.821 1.257 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.731 0.302 3.895 1.00 0.00 H new ATOM 1238 N ALA A 92 8.444 -0.402 6.803 1.00 0.00 N ATOM 1239 CA ALA A 92 7.099 -0.942 6.909 1.00 0.00 C ATOM 1240 C ALA A 92 6.185 -0.217 5.918 1.00 0.00 C ATOM 1241 O ALA A 92 5.549 0.778 6.267 1.00 0.00 O ATOM 1242 CB ALA A 92 6.609 -0.816 8.353 1.00 0.00 C ATOM 0 H ALA A 92 8.631 0.397 7.408 1.00 0.00 H new ATOM 0 HA ALA A 92 7.090 -2.002 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.600 -1.221 8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.275 -1.371 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.602 0.234 8.644 1.00 0.00 H new ATOM 1248 N CYS A 93 6.150 -0.741 4.702 1.00 0.00 N ATOM 1249 CA CYS A 93 5.326 -0.158 3.659 1.00 0.00 C ATOM 1250 C CYS A 93 3.857 -0.367 4.031 1.00 0.00 C ATOM 1251 O CYS A 93 3.465 -1.462 4.430 1.00 0.00 O ATOM 1252 CB CYS A 93 5.654 -0.743 2.283 1.00 0.00 C ATOM 1253 SG CYS A 93 7.403 -0.568 1.771 1.00 0.00 S ATOM 0 H CYS A 93 6.680 -1.564 4.416 1.00 0.00 H new ATOM 0 HA CYS A 93 5.533 0.910 3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.394 -1.802 2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.022 -0.259 1.538 1.00 0.00 H new ATOM 1258 N GLN A 94 3.086 0.702 3.892 1.00 0.00 N ATOM 1259 CA GLN A 94 1.669 0.649 4.210 1.00 0.00 C ATOM 1260 C GLN A 94 0.847 0.438 2.939 1.00 0.00 C ATOM 1261 O GLN A 94 0.835 1.292 2.053 1.00 0.00 O ATOM 1262 CB GLN A 94 1.225 1.913 4.948 1.00 0.00 C ATOM 1263 CG GLN A 94 1.898 2.015 6.318 1.00 0.00 C ATOM 1264 CD GLN A 94 2.144 3.475 6.702 1.00 0.00 C ATOM 1265 OE1 GLN A 94 1.756 4.400 6.008 1.00 0.00 O ATOM 1266 NE2 GLN A 94 2.811 3.629 7.843 1.00 0.00 N ATOM 0 H GLN A 94 3.416 1.610 3.564 1.00 0.00 H new ATOM 0 HA GLN A 94 1.497 -0.198 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.471 2.792 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.142 1.905 5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.271 1.538 7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.845 1.475 6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.107 2.811 8.375 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.027 4.565 8.185 1.00 0.00 H new ATOM 1275 N VAL A 95 0.179 -0.705 2.886 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.645 -1.039 1.737 1.00 0.00 C ATOM 1277 C VAL A 95 -2.055 -0.486 1.947 1.00 0.00 C ATOM 1278 O VAL A 95 -2.691 -0.766 2.963 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.626 -2.550 1.500 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -0.928 -2.880 0.037 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.711 -3.155 1.932 1.00 0.00 C ATOM 0 H VAL A 95 0.192 -1.412 3.621 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.245 -0.577 0.835 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.410 -2.995 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.908 -3.961 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.914 -2.498 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.177 -2.417 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.699 -4.230 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.518 -2.701 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.870 -2.966 2.994 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.504 0.290 0.973 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.829 0.886 1.038 1.00 0.00 C ATOM 1293 C GLY A 96 -4.123 1.706 -0.219 1.00 0.00 C ATOM 1294 O GLY A 96 -3.253 1.878 -1.072 1.00 0.00 O ATOM 0 H GLY A 96 -1.974 0.521 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.579 0.103 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.902 1.525 1.918 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.354 2.191 -0.296 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.775 2.989 -1.435 1.00 0.00 C ATOM 1300 C LEU A 97 -5.863 4.459 -1.017 1.00 0.00 C ATOM 1301 O LEU A 97 -6.488 4.784 -0.008 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.073 2.438 -2.025 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.218 2.213 -1.034 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.563 2.119 -1.759 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.952 0.985 -0.161 1.00 0.00 C ATOM 0 H LEU A 97 -6.073 2.046 0.412 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.038 2.929 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.418 3.125 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.852 1.490 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.270 3.077 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.358 1.959 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.749 3.046 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.541 1.285 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.780 0.847 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.858 0.102 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.028 1.130 0.399 1.00 0.00 H new ATOM 1317 N SER A 98 -5.231 5.307 -1.813 1.00 0.00 N ATOM 1318 CA SER A 98 -5.231 6.733 -1.540 1.00 0.00 C ATOM 1319 C SER A 98 -6.181 7.453 -2.502 1.00 0.00 C ATOM 1320 O SER A 98 -6.595 6.883 -3.510 1.00 0.00 O ATOM 1321 CB SER A 98 -3.821 7.316 -1.652 1.00 0.00 C ATOM 1322 OG SER A 98 -3.279 7.154 -2.959 1.00 0.00 O ATOM 0 H SER A 98 -4.714 5.033 -2.649 1.00 0.00 H new ATOM 0 HA SER A 98 -5.578 6.884 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.846 8.376 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.169 6.830 -0.926 1.00 0.00 H new ATOM 0 HG SER A 98 -2.959 8.019 -3.290 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.498 8.691 -2.155 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.389 9.492 -2.975 1.00 0.00 C ATOM 1330 C ASP A 99 -6.580 10.194 -4.068 1.00 0.00 C ATOM 1331 O ASP A 99 -5.368 10.356 -3.938 1.00 0.00 O ATOM 1332 CB ASP A 99 -8.087 10.568 -2.141 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.960 10.395 -0.625 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -8.976 10.645 0.061 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -6.852 10.019 -0.189 1.00 0.00 O ATOM 0 H ASP A 99 -6.153 9.159 -1.317 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.137 8.827 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.679 11.541 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.145 10.580 -2.403 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.283 10.588 -5.120 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.643 11.267 -6.234 1.00 0.00 C ATOM 1343 C ALA A 100 -6.656 12.776 -5.982 1.00 0.00 C ATOM 1344 O ALA A 100 -6.388 13.563 -6.889 1.00 0.00 O ATOM 1345 CB ALA A 100 -7.352 10.886 -7.536 1.00 0.00 C ATOM 0 H ALA A 100 -8.288 10.450 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.602 10.959 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.873 11.394 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.289 9.808 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.399 11.184 -7.481 1.00 0.00 H new ATOM 1351 N ALA A 101 -6.970 13.133 -4.745 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.022 14.533 -4.361 1.00 0.00 C ATOM 1353 C ALA A 101 -5.799 14.869 -3.506 1.00 0.00 C ATOM 1354 O ALA A 101 -5.133 15.876 -3.736 1.00 0.00 O ATOM 1355 CB ALA A 101 -8.338 14.816 -3.636 1.00 0.00 C ATOM 0 H ALA A 101 -7.191 12.477 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.993 15.174 -5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.376 15.867 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.174 14.590 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.403 14.193 -2.744 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.543 14.005 -2.534 1.00 0.00 N ATOM 1362 CA GLY A 102 -4.412 14.197 -1.641 1.00 0.00 C ATOM 1363 C GLY A 102 -4.878 14.336 -0.190 1.00 0.00 C ATOM 1364 O GLY A 102 -4.503 15.286 0.497 1.00 0.00 O ATOM 0 H GLY A 102 -6.099 13.171 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.728 13.353 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.858 15.088 -1.936 1.00 0.00 H new ATOM 1368 N ASN A 103 -5.686 13.377 0.234 1.00 0.00 N ATOM 1369 CA ASN A 103 -6.205 13.380 1.590 1.00 0.00 C ATOM 1370 C ASN A 103 -5.633 12.184 2.355 1.00 0.00 C ATOM 1371 O ASN A 103 -5.409 11.122 1.775 1.00 0.00 O ATOM 1372 CB ASN A 103 -7.731 13.259 1.597 1.00 0.00 C ATOM 1373 CG ASN A 103 -8.379 14.452 0.894 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -7.816 15.530 0.798 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -9.591 14.201 0.406 1.00 0.00 N ATOM 0 H ASN A 103 -5.995 12.591 -0.339 1.00 0.00 H new ATOM 0 HA ASN A 103 -5.915 14.321 2.058 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.028 12.335 1.101 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.090 13.199 2.625 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.106 14.933 -0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.005 13.276 0.521 1.00 0.00 H new ATOM 1382 N GLY A 104 -5.413 12.396 3.643 1.00 0.00 N ATOM 1383 CA GLY A 104 -4.869 11.350 4.494 1.00 0.00 C ATOM 1384 C GLY A 104 -5.323 9.969 4.016 1.00 0.00 C ATOM 1385 O GLY A 104 -6.390 9.493 4.406 1.00 0.00 O ATOM 0 H GLY A 104 -5.602 13.278 4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.780 11.401 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.192 11.508 5.523 1.00 0.00 H new ATOM 1389 N PRO A 105 -4.470 9.347 3.160 1.00 0.00 N ATOM 1390 CA PRO A 105 -4.772 8.029 2.626 1.00 0.00 C ATOM 1391 C PRO A 105 -4.552 6.948 3.685 1.00 0.00 C ATOM 1392 O PRO A 105 -3.719 7.105 4.576 1.00 0.00 O ATOM 1393 CB PRO A 105 -3.860 7.874 1.420 1.00 0.00 C ATOM 1394 CG PRO A 105 -2.759 8.908 1.595 1.00 0.00 C ATOM 1395 CD PRO A 105 -3.200 9.880 2.676 1.00 0.00 C ATOM 0 HA PRO A 105 -5.817 7.922 2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.446 6.867 1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.408 8.040 0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.823 8.425 1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.578 9.435 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.465 9.940 3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.320 10.887 2.277 1.00 0.00 H new ATOM 1403 N GLU A 106 -5.315 5.870 3.552 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.214 4.762 4.484 1.00 0.00 C ATOM 1405 C GLU A 106 -4.199 3.735 3.981 1.00 0.00 C ATOM 1406 O GLU A 106 -4.008 3.585 2.775 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.579 4.115 4.715 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.125 4.463 6.103 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.266 5.976 6.273 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.508 6.642 5.242 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -7.128 6.433 7.426 1.00 0.00 O ATOM 0 H GLU A 106 -6.005 5.743 2.812 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.865 5.149 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.279 4.452 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.494 3.033 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.094 3.985 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.458 4.068 6.870 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.574 3.053 4.930 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.583 2.043 4.597 1.00 0.00 C ATOM 1421 C GLY A 107 -2.066 1.345 5.858 1.00 0.00 C ATOM 1422 O GLY A 107 -1.827 1.992 6.875 1.00 0.00 O ATOM 0 H GLY A 107 -3.735 3.180 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.021 1.307 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.751 2.506 4.066 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.911 0.035 5.747 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.428 -0.759 6.866 1.00 0.00 C ATOM 1428 C VAL A 108 0.024 -1.166 6.606 1.00 0.00 C ATOM 1429 O VAL A 108 0.319 -1.830 5.614 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.352 -1.954 7.096 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.006 -3.105 6.150 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.302 -2.411 8.556 1.00 0.00 C ATOM 0 H VAL A 108 -2.111 -0.498 4.900 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.442 -0.174 7.785 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.372 -1.636 6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.679 -3.943 6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.115 -2.773 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.977 -3.421 6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.968 -3.263 8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.283 -2.702 8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.619 -1.594 9.204 1.00 0.00 H new ATOM 1442 N ALA A 109 0.894 -0.750 7.516 1.00 0.00 N ATOM 1443 CA ALA A 109 2.307 -1.064 7.398 1.00 0.00 C ATOM 1444 C ALA A 109 2.495 -2.582 7.436 1.00 0.00 C ATOM 1445 O ALA A 109 2.805 -3.146 8.485 1.00 0.00 O ATOM 1446 CB ALA A 109 3.081 -0.352 8.509 1.00 0.00 C ATOM 0 H ALA A 109 0.647 -0.198 8.338 1.00 0.00 H new ATOM 0 HA ALA A 109 2.701 -0.709 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.142 -0.587 8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.939 0.725 8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.714 -0.686 9.480 1.00 0.00 H new ATOM 1452 N ILE A 110 2.295 -3.199 6.281 1.00 0.00 N ATOM 1453 CA ILE A 110 2.438 -4.642 6.170 1.00 0.00 C ATOM 1454 C ILE A 110 3.909 -4.987 5.931 1.00 0.00 C ATOM 1455 O ILE A 110 4.681 -4.146 5.474 1.00 0.00 O ATOM 1456 CB ILE A 110 1.495 -5.191 5.099 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.886 -6.524 5.536 1.00 0.00 C ATOM 1458 CG2 ILE A 110 2.206 -5.303 3.748 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.490 -6.735 4.899 1.00 0.00 C ATOM 0 H ILE A 110 2.035 -2.728 5.415 1.00 0.00 H new ATOM 0 HA ILE A 110 2.144 -5.128 7.100 1.00 0.00 H new ATOM 0 HB ILE A 110 0.673 -4.486 4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.550 -7.341 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.795 -6.548 6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.513 -5.696 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.553 -4.318 3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.059 -5.975 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.900 -7.690 5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.159 -5.930 5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.392 -6.735 3.813 1.00 0.00 H new ATOM 1471 N SER A 111 4.252 -6.225 6.253 1.00 0.00 N ATOM 1472 CA SER A 111 5.616 -6.694 6.079 1.00 0.00 C ATOM 1473 C SER A 111 5.941 -7.762 7.125 1.00 0.00 C ATOM 1474 O SER A 111 6.082 -8.939 6.791 1.00 0.00 O ATOM 1475 CB SER A 111 6.613 -5.535 6.177 1.00 0.00 C ATOM 1476 OG SER A 111 7.913 -5.980 6.556 1.00 0.00 O ATOM 0 H SER A 111 3.608 -6.918 6.634 1.00 0.00 H new ATOM 0 HA SER A 111 5.703 -7.131 5.084 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.671 -5.024 5.216 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.253 -4.807 6.904 1.00 0.00 H new ATOM 0 HG SER A 111 8.520 -5.212 6.606 1.00 0.00 H new ATOM 1482 N PHE A 112 6.051 -7.317 8.366 1.00 0.00 N ATOM 1483 CA PHE A 112 6.356 -8.220 9.463 1.00 0.00 C ATOM 1484 C PHE A 112 6.187 -7.520 10.814 1.00 0.00 C ATOM 1485 O PHE A 112 6.121 -6.293 10.877 1.00 0.00 O ATOM 1486 CB PHE A 112 7.816 -8.645 9.299 1.00 0.00 C ATOM 1487 CG PHE A 112 8.348 -9.501 10.449 1.00 0.00 C ATOM 1488 CD1 PHE A 112 8.086 -10.835 10.479 1.00 0.00 C ATOM 1489 CD2 PHE A 112 9.080 -8.929 11.441 1.00 0.00 C ATOM 1490 CE1 PHE A 112 8.580 -11.631 11.548 1.00 0.00 C ATOM 1491 CE2 PHE A 112 9.573 -9.724 12.510 1.00 0.00 C ATOM 1492 CZ PHE A 112 9.313 -11.059 12.541 1.00 0.00 C ATOM 0 H PHE A 112 5.934 -6.341 8.638 1.00 0.00 H new ATOM 0 HA PHE A 112 5.679 -9.074 9.441 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.919 -9.202 8.368 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.435 -7.753 9.207 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.503 -11.289 9.691 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.287 -7.869 11.417 1.00 0.00 H new ATOM 0 HE1 PHE A 112 8.373 -12.691 11.572 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.154 -9.269 13.298 1.00 0.00 H new ATOM 0 HZ PHE A 112 9.688 -11.664 13.353 1.00 0.00 H new ATOM 1502 N ASN A 113 6.124 -8.331 11.860 1.00 0.00 N ATOM 1503 CA ASN A 113 5.966 -7.804 13.204 1.00 0.00 C ATOM 1504 C ASN A 113 7.098 -6.817 13.498 1.00 0.00 C ATOM 1505 O ASN A 113 7.870 -6.469 12.608 1.00 0.00 O ATOM 1506 CB ASN A 113 6.033 -8.924 14.246 1.00 0.00 C ATOM 1507 CG ASN A 113 5.785 -8.379 15.654 1.00 0.00 C ATOM 1508 OD1 ASN A 113 5.562 -7.198 15.859 1.00 0.00 O ATOM 1509 ND2 ASN A 113 5.840 -9.304 16.609 1.00 0.00 N ATOM 0 H ASN A 113 6.179 -9.348 11.804 1.00 0.00 H new ATOM 0 HA ASN A 113 4.994 -7.314 13.262 1.00 0.00 H new ATOM 0 HB2 ASN A 113 5.291 -9.688 14.012 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.010 -9.405 14.205 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.691 -9.041 17.583 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.031 -10.276 16.367 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.057 7.457 1.087 1.00 0.00 C HETATM 1518 C6 NCZ A 130 -0.227 7.220 -0.262 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.951 6.061 -0.608 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -1.244 5.765 -1.932 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.782 6.602 -2.929 1.00 0.00 C HETATM 1522 C9 NCZ A 130 -0.050 7.760 -2.613 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.207 8.119 -1.261 1.00 0.00 C HETATM 1524 C11 NCZ A 130 0.538 9.488 -0.937 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.076 10.206 -1.780 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.312 10.106 0.376 1.00 0.00 O HETATM 1527 C12 NCZ A 130 0.841 11.451 0.619 1.00 0.00 C HETATM 1528 C13 NCZ A 130 1.791 11.481 1.821 1.00 0.00 C HETATM 1529 C14 NCZ A 130 1.111 11.874 2.907 1.00 0.00 C HETATM 1530 C15 NCZ A 130 -0.243 12.391 2.593 1.00 0.00 C HETATM 1531 C16 NCZ A 130 -0.299 12.387 1.053 1.00 0.00 C HETATM 1532 O6 NCZ A 130 -0.096 13.752 0.587 1.00 0.00 O HETATM 1533 O5 NCZ A 130 2.854 12.405 1.575 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.373 8.558 -3.691 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -1.385 5.227 0.398 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -1.094 5.507 1.727 1.00 0.00 C HETATM 1537 C2 NCZ A 130 -0.368 6.616 2.082 1.00 0.00 C HETATM 1538 O1 NCZ A 130 -0.092 6.842 3.423 1.00 0.00 O HETATM 1539 C17 NCZ A 130 0.265 8.116 3.996 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -2.195 4.000 0.123 1.00 0.00 C HETATM 0 H183 NCZ A 130 -3.124 4.281 -0.374 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.628 3.327 -0.520 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -2.424 3.497 1.063 1.00 0.00 H new HETATM 0 H173 NCZ A 130 1.180 8.481 3.529 1.00 0.00 H new HETATM 0 H172 NCZ A 130 -0.540 8.831 3.825 1.00 0.00 H new HETATM 0 H171 NCZ A 130 0.425 8.001 5.068 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.987 6.362 -3.972 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.832 4.882 -2.182 1.00 0.00 H new HETATM 0 H6 NCZ A 130 -0.843 14.313 0.883 1.00 0.00 H new HETATM 0 H5 NCZ A 130 3.458 12.422 2.347 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -1.450 4.831 2.505 1.00 0.00 H new HETATM 0 H2 NCZ A 130 0.768 9.387 -3.349 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -1.249 12.044 0.642 1.00 0.00 H new HETATM 0 H15 NCZ A 130 -1.020 12.702 3.291 1.00 0.00 H new HETATM 0 H14 NCZ A 130 1.513 11.819 3.919 1.00 0.00 H new HETATM 0 H13 NCZ A 130 2.206 10.486 1.979 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.336 11.748 -0.306 1.00 0.00 H new HETATM 0 H1 NCZ A 130 0.636 8.341 1.356 1.00 0.00 H new