USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 GLN : amide:sc= -1.12! C(o=-2.6!,f=-6.6!) USER MOD Set 1.2: A 48 ASN : amide:sc= -1.48! C(o=-2.6!,f=-4.8!) USER MOD Set 2.1: A 30 THR OG1 : rot -66:sc= 1.77 USER MOD Set 2.2: A 32 TYR OH : rot 92:sc= 0.148 USER MOD Set 3.1: A 14 SER OG : rot 180:sc= 0.577 USER MOD Set 3.2: A 113 ASN : amide:sc= 0.941 K(o=1.5,f=0.93) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.136 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0302 USER MOD Single : A 6 THR OG1 : rot 56:sc= 1.22 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -150:sc= -0.663 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 17 THR OG1 : rot 111:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.68) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00108 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.073 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.18 K(o=1.2,f=-0.24) USER MOD Single : A 62 SER OG : rot 56:sc= 1.13 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 140:sc= -0.0429 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 -97:sc= 1.24 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00132 USER MOD Single : A 89 THR OG1 : rot 116:sc= 0.82 USER MOD Single : A 90 THR OG1 : rot -47:sc= 0.421 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.740 4.924 15.546 1.00 0.00 N ATOM 2 CA ALA A 1 -17.102 3.495 15.423 1.00 0.00 C ATOM 3 C ALA A 1 -15.857 2.642 15.195 1.00 0.00 C ATOM 4 O ALA A 1 -14.734 3.153 15.207 1.00 0.00 O ATOM 5 CB ALA A 1 -18.087 3.304 14.281 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.930 5.248 16.516 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.730 5.046 15.332 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.306 5.484 14.877 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.571 3.175 16.353 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.348 2.249 14.198 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.988 3.886 14.476 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.633 3.640 13.349 1.00 0.00 H new ATOM 11 N ALA A 2 -16.059 1.345 14.995 1.00 0.00 N ATOM 12 CA ALA A 2 -14.959 0.423 14.754 1.00 0.00 C ATOM 13 C ALA A 2 -14.959 -0.036 13.296 1.00 0.00 C ATOM 14 O ALA A 2 -15.783 -0.861 12.904 1.00 0.00 O ATOM 15 CB ALA A 2 -15.060 -0.771 15.693 1.00 0.00 C ATOM 0 H ALA A 2 -16.980 0.908 14.995 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.019 0.939 14.950 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.232 -1.454 15.504 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.017 -0.426 16.726 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.004 -1.289 15.523 1.00 0.00 H new ATOM 21 N PRO A 3 -14.043 0.499 12.473 1.00 0.00 N ATOM 22 CA PRO A 3 -13.947 0.139 11.052 1.00 0.00 C ATOM 23 C PRO A 3 -13.609 -1.334 10.849 1.00 0.00 C ATOM 24 O PRO A 3 -12.954 -1.956 11.691 1.00 0.00 O ATOM 25 CB PRO A 3 -12.807 1.022 10.524 1.00 0.00 C ATOM 26 CG PRO A 3 -12.642 2.100 11.539 1.00 0.00 C ATOM 27 CD PRO A 3 -13.030 1.492 12.854 1.00 0.00 C ATOM 0 HA PRO A 3 -14.894 0.293 10.535 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.888 0.449 10.406 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.051 1.437 9.546 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.613 2.459 11.563 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.273 2.957 11.304 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.178 1.029 13.352 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.433 2.237 13.540 1.00 0.00 H new ATOM 35 N THR A 4 -14.054 -1.886 9.734 1.00 0.00 N ATOM 36 CA THR A 4 -13.805 -3.283 9.424 1.00 0.00 C ATOM 37 C THR A 4 -12.700 -3.417 8.382 1.00 0.00 C ATOM 38 O THR A 4 -12.938 -3.275 7.180 1.00 0.00 O ATOM 39 CB THR A 4 -15.085 -3.975 8.917 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.157 -3.022 8.814 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.492 -5.101 9.853 1.00 0.00 C ATOM 0 H THR A 4 -14.592 -1.386 9.026 1.00 0.00 H new ATOM 0 HA THR A 4 -13.486 -3.772 10.344 1.00 0.00 H new ATOM 0 HB THR A 4 -14.879 -4.393 7.932 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.965 -3.472 8.489 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.398 -5.577 9.477 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.690 -5.838 9.906 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.680 -4.697 10.848 1.00 0.00 H new ATOM 49 N ALA A 5 -11.488 -3.680 8.845 1.00 0.00 N ATOM 50 CA ALA A 5 -10.355 -3.832 7.950 1.00 0.00 C ATOM 51 C ALA A 5 -10.174 -5.295 7.569 1.00 0.00 C ATOM 52 O ALA A 5 -9.913 -6.139 8.426 1.00 0.00 O ATOM 53 CB ALA A 5 -9.088 -3.287 8.592 1.00 0.00 C ATOM 0 H ALA A 5 -11.265 -3.792 9.834 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.552 -3.259 7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.250 -3.410 7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.220 -2.229 8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.884 -3.831 9.514 1.00 0.00 H new ATOM 59 N THR A 6 -10.342 -5.594 6.292 1.00 0.00 N ATOM 60 CA THR A 6 -10.190 -6.950 5.797 1.00 0.00 C ATOM 61 C THR A 6 -9.116 -7.011 4.717 1.00 0.00 C ATOM 62 O THR A 6 -9.375 -6.753 3.539 1.00 0.00 O ATOM 63 CB THR A 6 -11.523 -7.490 5.250 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.446 -6.408 5.053 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.127 -8.502 6.210 1.00 0.00 C ATOM 0 H THR A 6 -10.585 -4.910 5.576 1.00 0.00 H new ATOM 0 HA THR A 6 -9.882 -7.578 6.633 1.00 0.00 H new ATOM 0 HB THR A 6 -11.328 -7.982 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.043 -5.738 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.069 -8.871 5.804 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.437 -9.335 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.309 -8.026 7.174 1.00 0.00 H new ATOM 73 N VAL A 7 -7.901 -7.315 5.134 1.00 0.00 N ATOM 74 CA VAL A 7 -6.779 -7.400 4.213 1.00 0.00 C ATOM 75 C VAL A 7 -6.239 -8.824 4.140 1.00 0.00 C ATOM 76 O VAL A 7 -6.279 -9.570 5.121 1.00 0.00 O ATOM 77 CB VAL A 7 -5.640 -6.440 4.621 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.066 -4.994 4.420 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.215 -6.677 6.062 1.00 0.00 C ATOM 0 H VAL A 7 -7.664 -7.508 6.107 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.149 -7.106 3.231 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.782 -6.642 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.252 -4.331 4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.309 -4.829 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.943 -4.784 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.412 -5.988 6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.065 -6.511 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.863 -7.703 6.174 1.00 0.00 H new ATOM 89 N THR A 8 -5.773 -9.210 2.963 1.00 0.00 N ATOM 90 CA THR A 8 -5.211 -10.534 2.763 1.00 0.00 C ATOM 91 C THR A 8 -3.713 -10.432 2.479 1.00 0.00 C ATOM 92 O THR A 8 -3.304 -10.106 1.363 1.00 0.00 O ATOM 93 CB THR A 8 -5.907 -11.279 1.604 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.328 -11.072 1.667 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.606 -12.765 1.669 1.00 0.00 C ATOM 0 H THR A 8 -5.773 -8.622 2.130 1.00 0.00 H new ATOM 0 HA THR A 8 -5.374 -11.102 3.679 1.00 0.00 H new ATOM 0 HB THR A 8 -5.526 -10.883 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.761 -11.547 0.927 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.105 -13.274 0.844 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.530 -12.922 1.594 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.967 -13.168 2.615 1.00 0.00 H new ATOM 103 N PRO A 9 -2.875 -10.699 3.493 1.00 0.00 N ATOM 104 CA PRO A 9 -1.430 -10.626 3.355 1.00 0.00 C ATOM 105 C PRO A 9 -0.838 -11.888 2.728 1.00 0.00 C ATOM 106 O PRO A 9 -1.208 -13.010 3.078 1.00 0.00 O ATOM 107 CB PRO A 9 -0.940 -10.441 4.795 1.00 0.00 C ATOM 108 CG PRO A 9 -2.035 -10.944 5.682 1.00 0.00 C ATOM 109 CD PRO A 9 -3.279 -11.107 4.845 1.00 0.00 C ATOM 0 HA PRO A 9 -1.124 -9.820 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.017 -10.995 4.965 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.725 -9.392 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.753 -11.895 6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.215 -10.245 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.633 -12.138 4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.093 -10.486 5.220 1.00 0.00 H new ATOM 117 N SER A 10 0.085 -11.689 1.796 1.00 0.00 N ATOM 118 CA SER A 10 0.747 -12.786 1.095 1.00 0.00 C ATOM 119 C SER A 10 1.897 -13.365 1.917 1.00 0.00 C ATOM 120 O SER A 10 3.015 -13.522 1.427 1.00 0.00 O ATOM 121 CB SER A 10 1.266 -12.269 -0.243 1.00 0.00 C ATOM 122 OG SER A 10 0.444 -11.220 -0.723 1.00 0.00 O ATOM 0 H SER A 10 0.397 -10.763 1.503 1.00 0.00 H new ATOM 0 HA SER A 10 0.026 -13.588 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.290 -11.913 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.289 -13.082 -0.969 1.00 0.00 H new ATOM 0 HG SER A 10 0.456 -11.217 -1.703 1.00 0.00 H new ATOM 128 N SER A 11 1.611 -13.689 3.166 1.00 0.00 N ATOM 129 CA SER A 11 2.609 -14.240 4.066 1.00 0.00 C ATOM 130 C SER A 11 3.070 -15.625 3.612 1.00 0.00 C ATOM 131 O SER A 11 2.284 -16.576 3.587 1.00 0.00 O ATOM 132 CB SER A 11 2.022 -14.318 5.472 1.00 0.00 C ATOM 133 OG SER A 11 1.093 -13.264 5.686 1.00 0.00 O ATOM 0 H SER A 11 0.687 -13.579 3.583 1.00 0.00 H new ATOM 0 HA SER A 11 3.481 -13.586 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.528 -15.279 5.613 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.822 -14.260 6.210 1.00 0.00 H new ATOM 0 HG SER A 11 0.725 -13.331 6.592 1.00 0.00 H new ATOM 139 N GLY A 12 4.338 -15.727 3.229 1.00 0.00 N ATOM 140 CA GLY A 12 4.884 -16.999 2.800 1.00 0.00 C ATOM 141 C GLY A 12 4.744 -17.227 1.307 1.00 0.00 C ATOM 142 O GLY A 12 5.186 -18.251 0.787 1.00 0.00 O ATOM 0 H GLY A 12 4.998 -14.949 3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.938 -17.047 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.380 -17.804 3.334 1.00 0.00 H new ATOM 146 N LEU A 13 4.141 -16.279 0.609 1.00 0.00 N ATOM 147 CA LEU A 13 3.946 -16.414 -0.825 1.00 0.00 C ATOM 148 C LEU A 13 5.084 -15.753 -1.583 1.00 0.00 C ATOM 149 O LEU A 13 5.830 -14.960 -1.020 1.00 0.00 O ATOM 150 CB LEU A 13 2.598 -15.821 -1.237 1.00 0.00 C ATOM 151 CG LEU A 13 1.380 -16.542 -0.657 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.091 -15.886 -1.120 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.397 -18.015 -1.032 1.00 0.00 C ATOM 0 H LEU A 13 3.780 -15.413 1.009 1.00 0.00 H new ATOM 0 HA LEU A 13 3.944 -17.474 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.566 -14.776 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.528 -15.834 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 13 1.428 -16.465 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.761 -16.417 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.073 -14.847 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.034 -15.923 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.522 -18.508 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.380 -18.114 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.301 -18.480 -0.639 1.00 0.00 H new ATOM 165 N SER A 14 5.220 -16.094 -2.852 1.00 0.00 N ATOM 166 CA SER A 14 6.279 -15.547 -3.683 1.00 0.00 C ATOM 167 C SER A 14 5.880 -14.188 -4.258 1.00 0.00 C ATOM 168 O SER A 14 4.759 -13.719 -4.051 1.00 0.00 O ATOM 169 CB SER A 14 6.586 -16.527 -4.817 1.00 0.00 C ATOM 170 OG SER A 14 6.297 -17.864 -4.429 1.00 0.00 O ATOM 0 H SER A 14 4.606 -16.752 -3.333 1.00 0.00 H new ATOM 0 HA SER A 14 7.168 -15.403 -3.069 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.999 -16.265 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.636 -16.445 -5.098 1.00 0.00 H new ATOM 0 HG SER A 14 6.500 -18.471 -5.171 1.00 0.00 H new ATOM 176 N ASP A 15 6.797 -13.552 -4.979 1.00 0.00 N ATOM 177 CA ASP A 15 6.515 -12.256 -5.584 1.00 0.00 C ATOM 178 C ASP A 15 5.561 -12.428 -6.760 1.00 0.00 C ATOM 179 O ASP A 15 5.522 -13.487 -7.392 1.00 0.00 O ATOM 180 CB ASP A 15 7.804 -11.560 -6.038 1.00 0.00 C ATOM 181 CG ASP A 15 8.358 -12.109 -7.339 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.100 -13.110 -7.297 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.065 -11.533 -8.407 1.00 0.00 O ATOM 0 H ASP A 15 7.735 -13.910 -5.158 1.00 0.00 H new ATOM 0 HA ASP A 15 6.044 -11.624 -4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.611 -10.494 -6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.558 -11.663 -5.258 1.00 0.00 H new ATOM 188 N GLY A 16 4.787 -11.394 -7.042 1.00 0.00 N ATOM 189 CA GLY A 16 3.828 -11.458 -8.122 1.00 0.00 C ATOM 190 C GLY A 16 2.434 -11.749 -7.609 1.00 0.00 C ATOM 191 O GLY A 16 1.461 -11.712 -8.363 1.00 0.00 O ATOM 0 H GLY A 16 4.806 -10.507 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.827 -10.513 -8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.126 -12.232 -8.829 1.00 0.00 H new ATOM 195 N THR A 17 2.346 -12.041 -6.317 1.00 0.00 N ATOM 196 CA THR A 17 1.074 -12.343 -5.679 1.00 0.00 C ATOM 197 C THR A 17 0.189 -11.100 -5.598 1.00 0.00 C ATOM 198 O THR A 17 0.681 -9.973 -5.472 1.00 0.00 O ATOM 199 CB THR A 17 1.280 -12.921 -4.263 1.00 0.00 C ATOM 200 OG1 THR A 17 2.190 -14.028 -4.318 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.037 -13.389 -3.661 1.00 0.00 C ATOM 0 H THR A 17 3.148 -12.075 -5.688 1.00 0.00 H new ATOM 0 HA THR A 17 0.577 -13.092 -6.295 1.00 0.00 H new ATOM 0 HB THR A 17 1.689 -12.130 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.031 -13.782 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.141 -13.791 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.726 -12.547 -3.595 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.470 -14.165 -4.292 1.00 0.00 H new ATOM 209 N VAL A 18 -1.113 -11.317 -5.689 1.00 0.00 N ATOM 210 CA VAL A 18 -2.075 -10.236 -5.629 1.00 0.00 C ATOM 211 C VAL A 18 -2.568 -10.030 -4.198 1.00 0.00 C ATOM 212 O VAL A 18 -3.259 -10.883 -3.637 1.00 0.00 O ATOM 213 CB VAL A 18 -3.275 -10.517 -6.558 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.319 -9.419 -6.447 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.809 -10.670 -8.001 1.00 0.00 C ATOM 0 H VAL A 18 -1.528 -12.242 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.576 -9.327 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.736 -11.453 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.154 -9.642 -7.112 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.679 -9.362 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.875 -8.465 -6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.668 -10.868 -8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.319 -9.752 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.106 -11.500 -8.070 1.00 0.00 H new ATOM 225 N VAL A 19 -2.191 -8.906 -3.608 1.00 0.00 N ATOM 226 CA VAL A 19 -2.597 -8.566 -2.251 1.00 0.00 C ATOM 227 C VAL A 19 -3.964 -7.894 -2.284 1.00 0.00 C ATOM 228 O VAL A 19 -4.147 -6.882 -2.961 1.00 0.00 O ATOM 229 CB VAL A 19 -1.588 -7.611 -1.578 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.878 -7.478 -0.091 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.159 -8.078 -1.810 1.00 0.00 C ATOM 0 H VAL A 19 -1.598 -8.206 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.636 -9.489 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.700 -6.628 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.154 -6.800 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.884 -7.082 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.804 -8.457 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.532 -7.388 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.030 -9.076 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.046 -8.105 -2.880 1.00 0.00 H new ATOM 241 N LYS A 20 -4.919 -8.455 -1.561 1.00 0.00 N ATOM 242 CA LYS A 20 -6.266 -7.906 -1.536 1.00 0.00 C ATOM 243 C LYS A 20 -6.470 -7.008 -0.321 1.00 0.00 C ATOM 244 O LYS A 20 -6.195 -7.408 0.816 1.00 0.00 O ATOM 245 CB LYS A 20 -7.299 -9.034 -1.541 1.00 0.00 C ATOM 246 CG LYS A 20 -8.739 -8.543 -1.640 1.00 0.00 C ATOM 247 CD LYS A 20 -9.716 -9.697 -1.815 1.00 0.00 C ATOM 248 CE LYS A 20 -9.562 -10.350 -3.175 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.476 -11.509 -3.340 1.00 0.00 N ATOM 0 H LYS A 20 -4.788 -9.287 -0.985 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.401 -7.300 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.093 -9.700 -2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.186 -9.622 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.995 -7.982 -0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.832 -7.856 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.550 -10.438 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.737 -9.333 -1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.763 -9.616 -3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.531 -10.679 -3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.340 -11.927 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.268 -12.222 -2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.461 -11.191 -3.242 1.00 0.00 H new ATOM 263 N VAL A 21 -6.933 -5.791 -0.573 1.00 0.00 N ATOM 264 CA VAL A 21 -7.195 -4.827 0.482 1.00 0.00 C ATOM 265 C VAL A 21 -8.650 -4.375 0.417 1.00 0.00 C ATOM 266 O VAL A 21 -9.039 -3.625 -0.481 1.00 0.00 O ATOM 267 CB VAL A 21 -6.263 -3.597 0.376 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.576 -2.576 1.461 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.804 -4.020 0.448 1.00 0.00 C ATOM 0 H VAL A 21 -7.136 -5.447 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.000 -5.315 1.437 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.440 -3.127 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.905 -1.722 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.608 -2.241 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.439 -3.033 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.166 -3.140 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.617 -4.522 1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.582 -4.702 -0.373 1.00 0.00 H new ATOM 279 N ALA A 22 -9.453 -4.867 1.350 1.00 0.00 N ATOM 280 CA ALA A 22 -10.865 -4.523 1.410 1.00 0.00 C ATOM 281 C ALA A 22 -11.188 -3.803 2.712 1.00 0.00 C ATOM 282 O ALA A 22 -11.150 -4.399 3.792 1.00 0.00 O ATOM 283 CB ALA A 22 -11.717 -5.775 1.272 1.00 0.00 C ATOM 0 H ALA A 22 -9.147 -5.510 2.080 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.092 -3.851 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.772 -5.504 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.507 -6.254 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.484 -6.465 2.083 1.00 0.00 H new ATOM 289 N GLY A 23 -11.499 -2.525 2.611 1.00 0.00 N ATOM 290 CA GLY A 23 -11.819 -1.745 3.785 1.00 0.00 C ATOM 291 C GLY A 23 -13.292 -1.401 3.855 1.00 0.00 C ATOM 292 O GLY A 23 -13.853 -0.863 2.900 1.00 0.00 O ATOM 0 H GLY A 23 -11.536 -2.009 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.534 -2.301 4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.232 -0.826 3.781 1.00 0.00 H new ATOM 296 N ALA A 24 -13.919 -1.729 4.976 1.00 0.00 N ATOM 297 CA ALA A 24 -15.332 -1.446 5.178 1.00 0.00 C ATOM 298 C ALA A 24 -15.511 -0.451 6.314 1.00 0.00 C ATOM 299 O ALA A 24 -14.721 -0.425 7.262 1.00 0.00 O ATOM 300 CB ALA A 24 -16.093 -2.730 5.460 1.00 0.00 C ATOM 0 H ALA A 24 -13.468 -2.194 5.764 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.736 -1.004 4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.148 -2.502 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.984 -3.410 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.693 -3.200 6.358 1.00 0.00 H new ATOM 306 N GLY A 25 -16.551 0.363 6.223 1.00 0.00 N ATOM 307 CA GLY A 25 -16.794 1.358 7.246 1.00 0.00 C ATOM 308 C GLY A 25 -15.854 2.534 7.103 1.00 0.00 C ATOM 309 O GLY A 25 -15.380 3.095 8.095 1.00 0.00 O ATOM 0 H GLY A 25 -17.229 0.353 5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.826 1.704 7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.670 0.908 8.231 1.00 0.00 H new ATOM 313 N LEU A 26 -15.585 2.905 5.862 1.00 0.00 N ATOM 314 CA LEU A 26 -14.692 4.014 5.560 1.00 0.00 C ATOM 315 C LEU A 26 -15.500 5.263 5.224 1.00 0.00 C ATOM 316 O LEU A 26 -16.720 5.286 5.408 1.00 0.00 O ATOM 317 CB LEU A 26 -13.765 3.645 4.399 1.00 0.00 C ATOM 318 CG LEU A 26 -12.890 2.408 4.633 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.039 2.121 3.405 1.00 0.00 C ATOM 320 CD2 LEU A 26 -12.010 2.593 5.865 1.00 0.00 C ATOM 0 H LEU A 26 -15.977 2.449 5.038 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.080 4.223 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.372 3.479 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.116 4.495 4.188 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.544 1.554 4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.423 1.240 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.687 1.940 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.396 2.977 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.398 1.703 6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.363 3.459 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.639 2.749 6.741 1.00 0.00 H new ATOM 332 N GLN A 27 -14.827 6.294 4.732 1.00 0.00 N ATOM 333 CA GLN A 27 -15.494 7.542 4.390 1.00 0.00 C ATOM 334 C GLN A 27 -15.898 7.561 2.920 1.00 0.00 C ATOM 335 O GLN A 27 -15.058 7.749 2.036 1.00 0.00 O ATOM 336 CB GLN A 27 -14.584 8.730 4.700 1.00 0.00 C ATOM 337 CG GLN A 27 -15.328 10.049 4.799 1.00 0.00 C ATOM 338 CD GLN A 27 -16.296 10.088 5.966 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.063 9.479 7.010 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.401 10.789 5.785 1.00 0.00 N ATOM 0 H GLN A 27 -13.821 6.291 4.561 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.398 7.619 4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.063 8.544 5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.823 8.808 3.923 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.608 10.861 4.902 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.875 10.224 3.872 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.555 11.279 4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.100 10.840 6.526 1.00 0.00 H new ATOM 349 N ALA A 28 -17.187 7.360 2.671 1.00 0.00 N ATOM 350 CA ALA A 28 -17.721 7.357 1.317 1.00 0.00 C ATOM 351 C ALA A 28 -17.447 8.690 0.635 1.00 0.00 C ATOM 352 O ALA A 28 -17.884 9.742 1.107 1.00 0.00 O ATOM 353 CB ALA A 28 -19.218 7.065 1.337 1.00 0.00 C ATOM 0 H ALA A 28 -17.885 7.196 3.396 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.223 6.571 0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.603 7.066 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.392 6.089 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.730 7.831 1.919 1.00 0.00 H new ATOM 359 N GLY A 29 -16.703 8.646 -0.461 1.00 0.00 N ATOM 360 CA GLY A 29 -16.387 9.861 -1.184 1.00 0.00 C ATOM 361 C GLY A 29 -14.902 10.168 -1.193 1.00 0.00 C ATOM 362 O GLY A 29 -14.447 11.030 -1.946 1.00 0.00 O ATOM 0 H GLY A 29 -16.313 7.793 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.741 9.770 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.924 10.696 -0.734 1.00 0.00 H new ATOM 366 N THR A 30 -14.141 9.468 -0.360 1.00 0.00 N ATOM 367 CA THR A 30 -12.704 9.688 -0.293 1.00 0.00 C ATOM 368 C THR A 30 -11.948 8.608 -1.067 1.00 0.00 C ATOM 369 O THR A 30 -12.489 7.533 -1.344 1.00 0.00 O ATOM 370 CB THR A 30 -12.201 9.732 1.166 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.539 8.519 1.850 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.794 10.920 1.914 1.00 0.00 C ATOM 0 H THR A 30 -14.492 8.749 0.273 1.00 0.00 H new ATOM 0 HA THR A 30 -12.509 10.657 -0.752 1.00 0.00 H new ATOM 0 HB THR A 30 -11.117 9.841 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.513 8.453 1.936 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.423 10.927 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.503 11.845 1.417 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.881 10.839 1.922 1.00 0.00 H new ATOM 380 N ALA A 31 -10.706 8.902 -1.419 1.00 0.00 N ATOM 381 CA ALA A 31 -9.872 7.966 -2.161 1.00 0.00 C ATOM 382 C ALA A 31 -8.676 7.536 -1.325 1.00 0.00 C ATOM 383 O ALA A 31 -8.160 8.317 -0.522 1.00 0.00 O ATOM 384 CB ALA A 31 -9.411 8.587 -3.472 1.00 0.00 C ATOM 0 H ALA A 31 -10.250 9.788 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.467 7.082 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.789 7.874 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.280 8.844 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.834 9.488 -3.265 1.00 0.00 H new ATOM 390 N TYR A 32 -8.248 6.296 -1.508 1.00 0.00 N ATOM 391 CA TYR A 32 -7.119 5.758 -0.769 1.00 0.00 C ATOM 392 C TYR A 32 -6.070 5.197 -1.723 1.00 0.00 C ATOM 393 O TYR A 32 -6.346 4.282 -2.498 1.00 0.00 O ATOM 394 CB TYR A 32 -7.589 4.663 0.197 1.00 0.00 C ATOM 395 CG TYR A 32 -8.764 5.081 1.058 1.00 0.00 C ATOM 396 CD1 TYR A 32 -8.585 5.909 2.159 1.00 0.00 C ATOM 397 CD2 TYR A 32 -10.051 4.659 0.759 1.00 0.00 C ATOM 398 CE1 TYR A 32 -9.658 6.302 2.937 1.00 0.00 C ATOM 399 CE2 TYR A 32 -11.127 5.045 1.533 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.927 5.868 2.620 1.00 0.00 C ATOM 401 OH TYR A 32 -12.001 6.260 3.390 1.00 0.00 O ATOM 0 H TYR A 32 -8.669 5.641 -2.167 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.669 6.568 -0.195 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.865 3.778 -0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.758 4.378 0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.592 6.251 2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.214 4.017 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.502 6.946 3.790 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.122 4.703 1.288 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.392 7.077 3.015 1.00 0.00 H new ATOM 411 N ASP A 33 -4.874 5.764 -1.671 1.00 0.00 N ATOM 412 CA ASP A 33 -3.772 5.322 -2.514 1.00 0.00 C ATOM 413 C ASP A 33 -3.110 4.110 -1.877 1.00 0.00 C ATOM 414 O ASP A 33 -2.307 4.249 -0.956 1.00 0.00 O ATOM 415 CB ASP A 33 -2.753 6.452 -2.684 1.00 0.00 C ATOM 416 CG ASP A 33 -2.196 6.539 -4.090 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.280 5.761 -4.421 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.670 7.398 -4.868 1.00 0.00 O ATOM 0 H ASP A 33 -4.640 6.538 -1.049 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.154 5.050 -3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.224 7.401 -2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.932 6.303 -1.982 1.00 0.00 H new ATOM 423 N VAL A 34 -3.467 2.926 -2.348 1.00 0.00 N ATOM 424 CA VAL A 34 -2.928 1.688 -1.794 1.00 0.00 C ATOM 425 C VAL A 34 -1.869 1.075 -2.706 1.00 0.00 C ATOM 426 O VAL A 34 -2.045 1.021 -3.926 1.00 0.00 O ATOM 427 CB VAL A 34 -4.042 0.641 -1.563 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.582 -0.440 -0.592 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.323 1.300 -1.069 1.00 0.00 C ATOM 0 H VAL A 34 -4.128 2.793 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.472 1.954 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.256 0.168 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.384 -1.164 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.706 -0.946 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.326 0.015 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.088 0.539 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.128 1.814 -0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.671 2.020 -1.810 1.00 0.00 H new ATOM 439 N GLY A 35 -0.765 0.633 -2.105 1.00 0.00 N ATOM 440 CA GLY A 35 0.300 -0.001 -2.857 1.00 0.00 C ATOM 441 C GLY A 35 1.251 -0.761 -1.949 1.00 0.00 C ATOM 442 O GLY A 35 1.056 -0.793 -0.730 1.00 0.00 O ATOM 0 H GLY A 35 -0.591 0.705 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.129 -0.685 -3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.854 0.756 -3.413 1.00 0.00 H new ATOM 446 N GLN A 36 2.262 -1.392 -2.534 1.00 0.00 N ATOM 447 CA GLN A 36 3.250 -2.120 -1.750 1.00 0.00 C ATOM 448 C GLN A 36 4.357 -1.155 -1.362 1.00 0.00 C ATOM 449 O GLN A 36 4.894 -0.445 -2.210 1.00 0.00 O ATOM 450 CB GLN A 36 3.823 -3.315 -2.520 1.00 0.00 C ATOM 451 CG GLN A 36 4.377 -2.956 -3.886 1.00 0.00 C ATOM 452 CD GLN A 36 5.486 -3.883 -4.349 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.618 -4.154 -5.538 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.297 -4.373 -3.421 1.00 0.00 N ATOM 0 H GLN A 36 2.418 -1.414 -3.542 1.00 0.00 H new ATOM 0 HA GLN A 36 2.769 -2.523 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.615 -3.772 -1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.042 -4.065 -2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.567 -2.977 -4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.755 -1.934 -3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.158 -4.127 -2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.059 -4.996 -3.687 1.00 0.00 H new ATOM 463 N CYS A 37 4.692 -1.119 -0.089 1.00 0.00 N ATOM 464 CA CYS A 37 5.703 -0.194 0.385 1.00 0.00 C ATOM 465 C CYS A 37 6.720 -0.877 1.287 1.00 0.00 C ATOM 466 O CYS A 37 6.535 -2.023 1.701 1.00 0.00 O ATOM 467 CB CYS A 37 5.021 0.953 1.132 1.00 0.00 C ATOM 468 SG CYS A 37 3.244 1.130 0.745 1.00 0.00 S ATOM 0 H CYS A 37 4.284 -1.714 0.632 1.00 0.00 H new ATOM 0 HA CYS A 37 6.246 0.191 -0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.136 0.795 2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.531 1.886 0.891 1.00 0.00 H new ATOM 473 N ALA A 38 7.803 -0.167 1.574 1.00 0.00 N ATOM 474 CA ALA A 38 8.859 -0.675 2.434 1.00 0.00 C ATOM 475 C ALA A 38 9.657 0.482 3.020 1.00 0.00 C ATOM 476 O ALA A 38 9.442 1.640 2.648 1.00 0.00 O ATOM 477 CB ALA A 38 9.767 -1.618 1.659 1.00 0.00 C ATOM 0 H ALA A 38 7.972 0.774 1.218 1.00 0.00 H new ATOM 0 HA ALA A 38 8.408 -1.235 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.552 -1.990 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.183 -2.457 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.217 -1.084 0.822 1.00 0.00 H new ATOM 483 N TRP A 39 10.566 0.164 3.933 1.00 0.00 N ATOM 484 CA TRP A 39 11.402 1.170 4.574 1.00 0.00 C ATOM 485 C TRP A 39 12.447 1.694 3.601 1.00 0.00 C ATOM 486 O TRP A 39 13.483 1.067 3.389 1.00 0.00 O ATOM 487 CB TRP A 39 12.084 0.585 5.816 1.00 0.00 C ATOM 488 CG TRP A 39 11.142 0.351 6.959 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.184 -0.618 7.045 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.070 1.095 8.180 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.517 -0.518 8.240 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.041 0.525 8.955 1.00 0.00 C ATOM 493 CE3 TRP A 39 11.771 2.190 8.693 1.00 0.00 C ATOM 494 CZ2 TRP A 39 9.700 1.012 10.213 1.00 0.00 C ATOM 495 CZ3 TRP A 39 11.433 2.669 9.943 1.00 0.00 C ATOM 496 CH2 TRP A 39 10.404 2.083 10.689 1.00 0.00 C ATOM 0 H TRP A 39 10.743 -0.790 4.248 1.00 0.00 H new ATOM 0 HA TRP A 39 10.766 2.000 4.881 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.561 -0.358 5.549 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.875 1.262 6.140 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.981 -1.356 6.283 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.755 -1.123 8.546 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.562 2.653 8.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.908 0.560 10.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 11.972 3.511 10.352 1.00 0.00 H new ATOM 0 HH2 TRP A 39 10.161 2.485 11.661 1.00 0.00 H new ATOM 507 N VAL A 40 12.165 2.840 3.002 1.00 0.00 N ATOM 508 CA VAL A 40 13.084 3.441 2.052 1.00 0.00 C ATOM 509 C VAL A 40 14.101 4.324 2.780 1.00 0.00 C ATOM 510 O VAL A 40 15.182 4.608 2.260 1.00 0.00 O ATOM 511 CB VAL A 40 12.328 4.253 0.972 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.705 5.510 1.563 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.251 4.597 -0.188 1.00 0.00 C ATOM 0 H VAL A 40 11.308 3.371 3.157 1.00 0.00 H new ATOM 0 HA VAL A 40 13.619 2.637 1.546 1.00 0.00 H new ATOM 0 HB VAL A 40 11.519 3.631 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.181 6.059 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.999 5.233 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.488 6.140 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.699 5.167 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.088 5.192 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.628 3.678 -0.638 1.00 0.00 H new ATOM 523 N ASP A 41 13.749 4.740 3.992 1.00 0.00 N ATOM 524 CA ASP A 41 14.626 5.571 4.809 1.00 0.00 C ATOM 525 C ASP A 41 14.325 5.344 6.284 1.00 0.00 C ATOM 526 O ASP A 41 13.459 4.537 6.631 1.00 0.00 O ATOM 527 CB ASP A 41 14.452 7.054 4.466 1.00 0.00 C ATOM 528 CG ASP A 41 15.714 7.866 4.698 1.00 0.00 C ATOM 529 OD1 ASP A 41 15.944 8.316 5.843 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.476 8.073 3.734 1.00 0.00 O ATOM 0 H ASP A 41 12.857 4.514 4.432 1.00 0.00 H new ATOM 0 HA ASP A 41 15.658 5.289 4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.153 7.148 3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.643 7.469 5.068 1.00 0.00 H new ATOM 535 N THR A 42 15.017 6.071 7.144 1.00 0.00 N ATOM 536 CA THR A 42 14.831 5.946 8.577 1.00 0.00 C ATOM 537 C THR A 42 13.494 6.545 9.007 1.00 0.00 C ATOM 538 O THR A 42 13.351 7.763 9.114 1.00 0.00 O ATOM 539 CB THR A 42 15.973 6.642 9.333 1.00 0.00 C ATOM 540 OG1 THR A 42 17.216 6.425 8.646 1.00 0.00 O ATOM 541 CG2 THR A 42 16.080 6.114 10.752 1.00 0.00 C ATOM 0 H THR A 42 15.718 6.759 6.870 1.00 0.00 H new ATOM 0 HA THR A 42 14.836 4.884 8.821 1.00 0.00 H new ATOM 0 HB THR A 42 15.757 7.710 9.373 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.940 6.872 9.131 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.895 6.621 11.268 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.145 6.299 11.281 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.277 5.042 10.728 1.00 0.00 H new ATOM 549 N GLY A 43 12.511 5.683 9.217 1.00 0.00 N ATOM 550 CA GLY A 43 11.200 6.136 9.633 1.00 0.00 C ATOM 551 C GLY A 43 10.364 6.621 8.470 1.00 0.00 C ATOM 552 O GLY A 43 9.272 7.160 8.658 1.00 0.00 O ATOM 0 H GLY A 43 12.598 4.673 9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.680 5.321 10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.310 6.941 10.359 1.00 0.00 H new ATOM 556 N VAL A 44 10.880 6.434 7.264 1.00 0.00 N ATOM 557 CA VAL A 44 10.180 6.853 6.063 1.00 0.00 C ATOM 558 C VAL A 44 9.927 5.658 5.158 1.00 0.00 C ATOM 559 O VAL A 44 10.862 4.956 4.755 1.00 0.00 O ATOM 560 CB VAL A 44 10.967 7.917 5.272 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.063 8.621 4.272 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.604 8.926 6.211 1.00 0.00 C ATOM 0 H VAL A 44 11.784 5.993 7.093 1.00 0.00 H new ATOM 0 HA VAL A 44 9.236 7.293 6.384 1.00 0.00 H new ATOM 0 HB VAL A 44 11.761 7.410 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.638 9.368 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.657 7.891 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.245 9.110 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.154 9.667 5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.827 9.424 6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.289 8.413 6.886 1.00 0.00 H new ATOM 572 N LEU A 45 8.666 5.423 4.857 1.00 0.00 N ATOM 573 CA LEU A 45 8.276 4.318 4.001 1.00 0.00 C ATOM 574 C LEU A 45 7.716 4.856 2.695 1.00 0.00 C ATOM 575 O LEU A 45 7.133 5.938 2.668 1.00 0.00 O ATOM 576 CB LEU A 45 7.242 3.433 4.701 1.00 0.00 C ATOM 577 CG LEU A 45 7.755 2.664 5.924 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.692 3.528 7.176 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.949 1.395 6.121 1.00 0.00 C ATOM 0 H LEU A 45 7.887 5.987 5.195 1.00 0.00 H new ATOM 0 HA LEU A 45 9.155 3.709 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.404 4.058 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.854 2.715 3.978 1.00 0.00 H new ATOM 0 HG LEU A 45 8.797 2.398 5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.061 2.959 8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.309 4.416 7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.660 3.828 7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.323 0.858 6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.900 1.650 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.043 0.763 5.238 1.00 0.00 H new ATOM 591 N ALA A 46 7.906 4.115 1.614 1.00 0.00 N ATOM 592 CA ALA A 46 7.417 4.539 0.309 1.00 0.00 C ATOM 593 C ALA A 46 6.896 3.351 -0.488 1.00 0.00 C ATOM 594 O ALA A 46 7.436 2.246 -0.384 1.00 0.00 O ATOM 595 CB ALA A 46 8.524 5.254 -0.447 1.00 0.00 C ATOM 0 H ALA A 46 8.394 3.219 1.613 1.00 0.00 H new ATOM 0 HA ALA A 46 6.586 5.230 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.154 5.569 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.845 6.128 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.369 4.578 -0.581 1.00 0.00 H new ATOM 601 N CYS A 47 5.841 3.577 -1.268 1.00 0.00 N ATOM 602 CA CYS A 47 5.236 2.516 -2.076 1.00 0.00 C ATOM 603 C CYS A 47 5.629 2.652 -3.545 1.00 0.00 C ATOM 604 O CYS A 47 6.289 3.617 -3.928 1.00 0.00 O ATOM 605 CB CYS A 47 3.710 2.536 -1.941 1.00 0.00 C ATOM 606 SG CYS A 47 3.104 2.892 -0.258 1.00 0.00 S ATOM 0 H CYS A 47 5.386 4.485 -1.359 1.00 0.00 H new ATOM 0 HA CYS A 47 5.611 1.563 -1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.307 3.284 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.317 1.570 -2.258 1.00 0.00 H new ATOM 611 N ASN A 48 5.216 1.687 -4.363 1.00 0.00 N ATOM 612 CA ASN A 48 5.541 1.701 -5.787 1.00 0.00 C ATOM 613 C ASN A 48 4.441 2.363 -6.619 1.00 0.00 C ATOM 614 O ASN A 48 3.256 2.111 -6.416 1.00 0.00 O ATOM 615 CB ASN A 48 5.804 0.274 -6.303 1.00 0.00 C ATOM 616 CG ASN A 48 4.561 -0.603 -6.371 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.628 -0.465 -5.576 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.552 -1.533 -7.315 1.00 0.00 N ATOM 0 H ASN A 48 4.657 0.887 -4.065 1.00 0.00 H new ATOM 0 HA ASN A 48 6.449 2.294 -5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.247 0.335 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.538 -0.205 -5.655 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.755 -2.164 -7.402 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.342 -1.618 -7.955 1.00 0.00 H new ATOM 625 N PRO A 49 4.824 3.233 -7.568 1.00 0.00 N ATOM 626 CA PRO A 49 3.881 3.922 -8.445 1.00 0.00 C ATOM 627 C PRO A 49 3.653 3.163 -9.752 1.00 0.00 C ATOM 628 O PRO A 49 3.219 3.735 -10.751 1.00 0.00 O ATOM 629 CB PRO A 49 4.610 5.234 -8.710 1.00 0.00 C ATOM 630 CG PRO A 49 6.048 4.838 -8.772 1.00 0.00 C ATOM 631 CD PRO A 49 6.212 3.653 -7.846 1.00 0.00 C ATOM 0 HA PRO A 49 2.888 4.031 -8.009 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.281 5.693 -9.642 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.429 5.959 -7.917 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.334 4.576 -9.791 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.690 5.663 -8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.786 2.854 -8.315 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.738 3.929 -6.932 1.00 0.00 H new ATOM 639 N ALA A 50 3.953 1.871 -9.737 1.00 0.00 N ATOM 640 CA ALA A 50 3.799 1.042 -10.924 1.00 0.00 C ATOM 641 C ALA A 50 2.559 0.163 -10.835 1.00 0.00 C ATOM 642 O ALA A 50 1.761 0.107 -11.768 1.00 0.00 O ATOM 643 CB ALA A 50 5.043 0.193 -11.130 1.00 0.00 C ATOM 0 H ALA A 50 4.304 1.375 -8.917 1.00 0.00 H new ATOM 0 HA ALA A 50 3.671 1.701 -11.783 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.919 -0.424 -12.020 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.910 0.842 -11.256 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.193 -0.449 -10.262 1.00 0.00 H new ATOM 649 N ASP A 51 2.393 -0.512 -9.707 1.00 0.00 N ATOM 650 CA ASP A 51 1.245 -1.391 -9.516 1.00 0.00 C ATOM 651 C ASP A 51 0.312 -0.825 -8.456 1.00 0.00 C ATOM 652 O ASP A 51 -0.482 -1.555 -7.862 1.00 0.00 O ATOM 653 CB ASP A 51 1.695 -2.802 -9.118 1.00 0.00 C ATOM 654 CG ASP A 51 2.440 -3.513 -10.231 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.796 -3.947 -11.207 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.674 -3.644 -10.138 1.00 0.00 O ATOM 0 H ASP A 51 3.033 -0.470 -8.914 1.00 0.00 H new ATOM 0 HA ASP A 51 0.709 -1.454 -10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.336 -2.740 -8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.823 -3.391 -8.836 1.00 0.00 H new ATOM 661 N PHE A 52 0.414 0.481 -8.226 1.00 0.00 N ATOM 662 CA PHE A 52 -0.421 1.158 -7.241 1.00 0.00 C ATOM 663 C PHE A 52 -1.862 1.230 -7.730 1.00 0.00 C ATOM 664 O PHE A 52 -2.127 1.162 -8.933 1.00 0.00 O ATOM 665 CB PHE A 52 0.112 2.573 -6.975 1.00 0.00 C ATOM 666 CG PHE A 52 -0.292 3.583 -8.020 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.348 3.626 -9.249 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.317 4.482 -7.773 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.027 4.549 -10.209 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.695 5.404 -8.729 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.051 5.439 -9.947 1.00 0.00 C ATOM 0 H PHE A 52 1.070 1.093 -8.711 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.392 0.589 -6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.246 2.909 -6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.200 2.537 -6.920 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.148 2.932 -9.459 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.827 4.461 -6.821 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.480 4.574 -11.162 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.496 6.098 -8.522 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.346 6.160 -10.695 1.00 0.00 H new ATOM 681 N SER A 53 -2.795 1.366 -6.805 1.00 0.00 N ATOM 682 CA SER A 53 -4.196 1.460 -7.164 1.00 0.00 C ATOM 683 C SER A 53 -4.935 2.392 -6.212 1.00 0.00 C ATOM 684 O SER A 53 -5.164 2.059 -5.049 1.00 0.00 O ATOM 685 CB SER A 53 -4.843 0.075 -7.169 1.00 0.00 C ATOM 686 OG SER A 53 -4.191 -0.785 -8.093 1.00 0.00 O ATOM 0 H SER A 53 -2.608 1.414 -5.803 1.00 0.00 H new ATOM 0 HA SER A 53 -4.263 1.875 -8.169 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.796 -0.356 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.898 0.163 -7.429 1.00 0.00 H new ATOM 0 HG SER A 53 -4.620 -1.666 -8.079 1.00 0.00 H new ATOM 692 N SER A 54 -5.279 3.570 -6.708 1.00 0.00 N ATOM 693 CA SER A 54 -6.000 4.552 -5.920 1.00 0.00 C ATOM 694 C SER A 54 -7.492 4.233 -5.937 1.00 0.00 C ATOM 695 O SER A 54 -8.232 4.687 -6.810 1.00 0.00 O ATOM 696 CB SER A 54 -5.729 5.956 -6.468 1.00 0.00 C ATOM 697 OG SER A 54 -5.523 5.924 -7.874 1.00 0.00 O ATOM 0 H SER A 54 -5.068 3.869 -7.660 1.00 0.00 H new ATOM 0 HA SER A 54 -5.656 4.517 -4.886 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.570 6.610 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.852 6.378 -5.978 1.00 0.00 H new ATOM 0 HG SER A 54 -5.354 6.832 -8.201 1.00 0.00 H new ATOM 703 N VAL A 55 -7.920 3.435 -4.973 1.00 0.00 N ATOM 704 CA VAL A 55 -9.311 3.027 -4.884 1.00 0.00 C ATOM 705 C VAL A 55 -10.151 4.096 -4.189 1.00 0.00 C ATOM 706 O VAL A 55 -9.689 4.763 -3.262 1.00 0.00 O ATOM 707 CB VAL A 55 -9.444 1.672 -4.145 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.083 1.804 -2.671 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.842 1.096 -4.309 1.00 0.00 C ATOM 0 H VAL A 55 -7.322 3.056 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.686 2.903 -5.900 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.735 0.980 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.187 0.835 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.053 2.148 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.750 2.523 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.908 0.145 -3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.573 1.792 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.049 0.938 -5.368 1.00 0.00 H new ATOM 719 N THR A 56 -11.371 4.277 -4.664 1.00 0.00 N ATOM 720 CA THR A 56 -12.273 5.255 -4.089 1.00 0.00 C ATOM 721 C THR A 56 -13.383 4.557 -3.314 1.00 0.00 C ATOM 722 O THR A 56 -13.852 3.487 -3.710 1.00 0.00 O ATOM 723 CB THR A 56 -12.873 6.174 -5.180 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.799 7.104 -4.601 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.574 5.367 -6.262 1.00 0.00 C ATOM 0 H THR A 56 -11.759 3.756 -5.450 1.00 0.00 H new ATOM 0 HA THR A 56 -11.701 5.879 -3.403 1.00 0.00 H new ATOM 0 HB THR A 56 -12.048 6.721 -5.636 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.168 7.679 -5.304 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.984 6.043 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.859 4.692 -6.733 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.382 4.786 -5.817 1.00 0.00 H new ATOM 733 N ALA A 57 -13.780 5.154 -2.198 1.00 0.00 N ATOM 734 CA ALA A 57 -14.829 4.594 -1.364 1.00 0.00 C ATOM 735 C ALA A 57 -16.180 4.698 -2.057 1.00 0.00 C ATOM 736 O ALA A 57 -16.600 5.785 -2.464 1.00 0.00 O ATOM 737 CB ALA A 57 -14.870 5.297 -0.018 1.00 0.00 C ATOM 0 H ALA A 57 -13.388 6.029 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.608 3.540 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.662 4.865 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.912 5.173 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.066 6.359 -0.168 1.00 0.00 H new ATOM 743 N ASP A 58 -16.849 3.559 -2.179 1.00 0.00 N ATOM 744 CA ASP A 58 -18.155 3.484 -2.829 1.00 0.00 C ATOM 745 C ASP A 58 -19.250 4.098 -1.955 1.00 0.00 C ATOM 746 O ASP A 58 -18.982 4.584 -0.856 1.00 0.00 O ATOM 747 CB ASP A 58 -18.496 2.025 -3.168 1.00 0.00 C ATOM 748 CG ASP A 58 -19.160 1.286 -2.021 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.499 1.043 -0.992 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.350 0.942 -2.151 1.00 0.00 O ATOM 0 H ASP A 58 -16.505 2.663 -1.832 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.104 4.061 -3.752 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.156 2.005 -4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.583 1.501 -3.450 1.00 0.00 H new ATOM 755 N ALA A 59 -20.483 4.062 -2.453 1.00 0.00 N ATOM 756 CA ALA A 59 -21.632 4.622 -1.745 1.00 0.00 C ATOM 757 C ALA A 59 -21.851 3.962 -0.384 1.00 0.00 C ATOM 758 O ALA A 59 -22.363 4.591 0.540 1.00 0.00 O ATOM 759 CB ALA A 59 -22.887 4.496 -2.596 1.00 0.00 C ATOM 0 H ALA A 59 -20.714 3.646 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.419 5.676 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.736 4.917 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.748 5.036 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.078 3.444 -2.809 1.00 0.00 H new ATOM 765 N ASN A 60 -21.458 2.702 -0.259 1.00 0.00 N ATOM 766 CA ASN A 60 -21.615 1.980 1.001 1.00 0.00 C ATOM 767 C ASN A 60 -20.493 2.335 1.974 1.00 0.00 C ATOM 768 O ASN A 60 -20.480 1.880 3.119 1.00 0.00 O ATOM 769 CB ASN A 60 -21.640 0.467 0.763 1.00 0.00 C ATOM 770 CG ASN A 60 -22.843 0.022 -0.046 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.890 -0.319 0.504 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.704 0.024 -1.360 1.00 0.00 N ATOM 0 H ASN A 60 -21.030 2.159 -1.009 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.566 2.281 1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.728 0.170 0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.643 -0.048 1.724 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.481 -0.264 -1.955 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.820 0.313 -1.779 1.00 0.00 H new ATOM 779 N GLY A 61 -19.551 3.150 1.511 1.00 0.00 N ATOM 780 CA GLY A 61 -18.439 3.559 2.347 1.00 0.00 C ATOM 781 C GLY A 61 -17.395 2.474 2.477 1.00 0.00 C ATOM 782 O GLY A 61 -16.851 2.252 3.558 1.00 0.00 O ATOM 0 H GLY A 61 -19.539 3.536 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.980 4.454 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.809 3.825 3.337 1.00 0.00 H new ATOM 786 N SER A 62 -17.125 1.788 1.380 1.00 0.00 N ATOM 787 CA SER A 62 -16.146 0.716 1.377 1.00 0.00 C ATOM 788 C SER A 62 -15.262 0.799 0.139 1.00 0.00 C ATOM 789 O SER A 62 -15.625 1.434 -0.854 1.00 0.00 O ATOM 790 CB SER A 62 -16.859 -0.636 1.431 1.00 0.00 C ATOM 791 OG SER A 62 -18.260 -0.477 1.227 1.00 0.00 O ATOM 0 H SER A 62 -17.571 1.955 0.478 1.00 0.00 H new ATOM 0 HA SER A 62 -15.510 0.819 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.449 -1.299 0.669 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.679 -1.109 2.396 1.00 0.00 H new ATOM 0 HG SER A 62 -18.416 -0.010 0.379 1.00 0.00 H new ATOM 797 N ALA A 63 -14.096 0.176 0.204 1.00 0.00 N ATOM 798 CA ALA A 63 -13.170 0.178 -0.913 1.00 0.00 C ATOM 799 C ALA A 63 -12.380 -1.121 -0.959 1.00 0.00 C ATOM 800 O ALA A 63 -11.740 -1.500 0.021 1.00 0.00 O ATOM 801 CB ALA A 63 -12.233 1.368 -0.816 1.00 0.00 C ATOM 0 H ALA A 63 -13.769 -0.338 1.022 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.743 0.260 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.543 1.358 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.813 2.290 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.668 1.312 0.115 1.00 0.00 H new ATOM 807 N SER A 64 -12.432 -1.798 -2.092 1.00 0.00 N ATOM 808 CA SER A 64 -11.730 -3.057 -2.267 1.00 0.00 C ATOM 809 C SER A 64 -10.881 -3.001 -3.530 1.00 0.00 C ATOM 810 O SER A 64 -11.381 -2.681 -4.610 1.00 0.00 O ATOM 811 CB SER A 64 -12.729 -4.218 -2.341 1.00 0.00 C ATOM 812 OG SER A 64 -12.075 -5.475 -2.251 1.00 0.00 O ATOM 0 H SER A 64 -12.958 -1.494 -2.911 1.00 0.00 H new ATOM 0 HA SER A 64 -11.077 -3.223 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.455 -4.126 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.284 -4.162 -3.277 1.00 0.00 H new ATOM 0 HG SER A 64 -12.739 -6.194 -2.300 1.00 0.00 H new ATOM 818 N THR A 65 -9.596 -3.290 -3.396 1.00 0.00 N ATOM 819 CA THR A 65 -8.693 -3.270 -4.530 1.00 0.00 C ATOM 820 C THR A 65 -7.645 -4.374 -4.403 1.00 0.00 C ATOM 821 O THR A 65 -7.500 -4.987 -3.340 1.00 0.00 O ATOM 822 CB THR A 65 -8.000 -1.894 -4.672 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.333 -1.796 -5.935 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.006 -1.647 -3.538 1.00 0.00 C ATOM 0 H THR A 65 -9.157 -3.541 -2.510 1.00 0.00 H new ATOM 0 HA THR A 65 -9.286 -3.447 -5.427 1.00 0.00 H new ATOM 0 HB THR A 65 -8.775 -1.130 -4.616 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.460 -0.897 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.538 -0.671 -3.670 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.530 -1.672 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.239 -2.422 -3.551 1.00 0.00 H new ATOM 832 N SER A 66 -6.924 -4.621 -5.485 1.00 0.00 N ATOM 833 CA SER A 66 -5.903 -5.653 -5.506 1.00 0.00 C ATOM 834 C SER A 66 -4.551 -5.073 -5.928 1.00 0.00 C ATOM 835 O SER A 66 -4.450 -4.357 -6.927 1.00 0.00 O ATOM 836 CB SER A 66 -6.332 -6.777 -6.447 1.00 0.00 C ATOM 837 OG SER A 66 -7.632 -7.236 -6.112 1.00 0.00 O ATOM 0 H SER A 66 -7.029 -4.116 -6.365 1.00 0.00 H new ATOM 0 HA SER A 66 -5.788 -6.058 -4.501 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.320 -6.421 -7.477 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.622 -7.602 -6.386 1.00 0.00 H new ATOM 0 HG SER A 66 -7.893 -7.955 -6.725 1.00 0.00 H new ATOM 843 N LEU A 67 -3.514 -5.378 -5.153 1.00 0.00 N ATOM 844 CA LEU A 67 -2.173 -4.875 -5.424 1.00 0.00 C ATOM 845 C LEU A 67 -1.221 -6.001 -5.818 1.00 0.00 C ATOM 846 O LEU A 67 -1.209 -7.061 -5.201 1.00 0.00 O ATOM 847 CB LEU A 67 -1.614 -4.146 -4.192 1.00 0.00 C ATOM 848 CG LEU A 67 -2.246 -2.785 -3.871 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.411 -1.955 -5.131 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.580 -2.960 -3.162 1.00 0.00 C ATOM 0 H LEU A 67 -3.579 -5.974 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.250 -4.179 -6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.736 -4.795 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.543 -4.002 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.573 -2.252 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.861 -0.995 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.435 -1.789 -5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.055 -2.484 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.008 -1.981 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.261 -3.520 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.428 -3.504 -2.230 1.00 0.00 H new ATOM 862 N THR A 68 -0.424 -5.767 -6.843 1.00 0.00 N ATOM 863 CA THR A 68 0.544 -6.754 -7.291 1.00 0.00 C ATOM 864 C THR A 68 1.897 -6.460 -6.650 1.00 0.00 C ATOM 865 O THR A 68 2.556 -5.478 -6.996 1.00 0.00 O ATOM 866 CB THR A 68 0.675 -6.753 -8.825 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.628 -6.644 -9.419 1.00 0.00 O ATOM 868 CG2 THR A 68 1.351 -8.026 -9.308 1.00 0.00 C ATOM 0 H THR A 68 -0.427 -4.901 -7.383 1.00 0.00 H new ATOM 0 HA THR A 68 0.198 -7.742 -6.988 1.00 0.00 H new ATOM 0 HB THR A 68 1.287 -5.901 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.543 -6.642 -10.395 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.433 -8.004 -10.395 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.347 -8.098 -8.870 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.758 -8.890 -9.006 1.00 0.00 H new ATOM 876 N VAL A 69 2.295 -7.295 -5.699 1.00 0.00 N ATOM 877 CA VAL A 69 3.559 -7.098 -4.994 1.00 0.00 C ATOM 878 C VAL A 69 4.742 -7.676 -5.772 1.00 0.00 C ATOM 879 O VAL A 69 4.731 -8.835 -6.192 1.00 0.00 O ATOM 880 CB VAL A 69 3.505 -7.699 -3.564 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.284 -9.207 -3.600 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.769 -7.358 -2.787 1.00 0.00 C ATOM 0 H VAL A 69 1.765 -8.113 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 69 3.710 -6.022 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 69 2.654 -7.252 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.252 -9.594 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.341 -9.425 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.101 -9.682 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.709 -7.789 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.636 -7.765 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.867 -6.275 -2.710 1.00 0.00 H new ATOM 892 N ARG A 70 5.748 -6.841 -5.995 1.00 0.00 N ATOM 893 CA ARG A 70 6.949 -7.254 -6.703 1.00 0.00 C ATOM 894 C ARG A 70 8.074 -7.512 -5.708 1.00 0.00 C ATOM 895 O ARG A 70 7.960 -7.165 -4.530 1.00 0.00 O ATOM 896 CB ARG A 70 7.383 -6.175 -7.704 1.00 0.00 C ATOM 897 CG ARG A 70 6.250 -5.643 -8.571 1.00 0.00 C ATOM 898 CD ARG A 70 5.682 -6.709 -9.496 1.00 0.00 C ATOM 899 NE ARG A 70 4.626 -6.164 -10.349 1.00 0.00 N ATOM 900 CZ ARG A 70 4.137 -6.769 -11.430 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.612 -7.950 -11.816 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.169 -6.188 -12.125 1.00 0.00 N ATOM 0 H ARG A 70 5.754 -5.867 -5.693 1.00 0.00 H new ATOM 0 HA ARG A 70 6.730 -8.171 -7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.829 -5.344 -7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.160 -6.584 -8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.455 -5.259 -7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.613 -4.805 -9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.479 -7.117 -10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.285 -7.534 -8.904 1.00 0.00 H new ATOM 0 HE ARG A 70 4.236 -5.255 -10.098 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.356 -8.399 -11.283 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.232 -8.406 -12.645 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.803 -5.283 -11.831 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.790 -6.646 -12.954 1.00 0.00 H new ATOM 916 N ARG A 71 9.153 -8.118 -6.183 1.00 0.00 N ATOM 917 CA ARG A 71 10.299 -8.415 -5.338 1.00 0.00 C ATOM 918 C ARG A 71 11.116 -7.149 -5.111 1.00 0.00 C ATOM 919 O ARG A 71 11.713 -6.959 -4.055 1.00 0.00 O ATOM 920 CB ARG A 71 11.161 -9.508 -5.979 1.00 0.00 C ATOM 921 CG ARG A 71 12.102 -10.200 -5.007 1.00 0.00 C ATOM 922 CD ARG A 71 11.384 -11.236 -4.156 1.00 0.00 C ATOM 923 NE ARG A 71 10.851 -12.334 -4.959 1.00 0.00 N ATOM 924 CZ ARG A 71 10.719 -13.588 -4.524 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.114 -13.919 -3.299 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.189 -14.503 -5.323 1.00 0.00 N ATOM 0 H ARG A 71 9.258 -8.414 -7.153 1.00 0.00 H new ATOM 0 HA ARG A 71 9.946 -8.780 -4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.507 -10.254 -6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.747 -9.068 -6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.906 -10.682 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.564 -9.456 -4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.074 -11.634 -3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.570 -10.757 -3.612 1.00 0.00 H new ATOM 0 HE ARG A 71 10.561 -12.128 -5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.521 -13.212 -2.686 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.010 -14.880 -2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.886 -14.246 -6.262 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.084 -15.464 -4.999 1.00 0.00 H new ATOM 940 N SER A 72 11.128 -6.285 -6.114 1.00 0.00 N ATOM 941 CA SER A 72 11.839 -5.019 -6.045 1.00 0.00 C ATOM 942 C SER A 72 10.956 -3.937 -6.655 1.00 0.00 C ATOM 943 O SER A 72 10.221 -4.209 -7.605 1.00 0.00 O ATOM 944 CB SER A 72 13.170 -5.108 -6.795 1.00 0.00 C ATOM 945 OG SER A 72 13.763 -6.387 -6.634 1.00 0.00 O ATOM 0 H SER A 72 10.645 -6.442 -6.999 1.00 0.00 H new ATOM 0 HA SER A 72 12.059 -4.776 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.008 -4.910 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.850 -4.340 -6.427 1.00 0.00 H new ATOM 0 HG SER A 72 14.428 -6.351 -5.915 1.00 0.00 H new ATOM 951 N PHE A 73 11.009 -2.720 -6.121 1.00 0.00 N ATOM 952 CA PHE A 73 10.172 -1.641 -6.635 1.00 0.00 C ATOM 953 C PHE A 73 10.761 -0.272 -6.325 1.00 0.00 C ATOM 954 O PHE A 73 11.660 -0.141 -5.495 1.00 0.00 O ATOM 955 CB PHE A 73 8.767 -1.745 -6.029 1.00 0.00 C ATOM 956 CG PHE A 73 8.730 -1.529 -4.535 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.026 -2.564 -3.661 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.398 -0.291 -4.007 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.991 -2.366 -2.293 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.363 -0.088 -2.641 1.00 0.00 C ATOM 961 CZ PHE A 73 8.660 -1.129 -1.784 1.00 0.00 C ATOM 0 H PHE A 73 11.614 -2.458 -5.343 1.00 0.00 H new ATOM 0 HA PHE A 73 10.121 -1.746 -7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.119 -1.011 -6.509 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.356 -2.729 -6.255 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.287 -3.536 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.163 0.526 -4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.223 -3.181 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.104 0.883 -2.244 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.633 -0.974 -0.716 1.00 0.00 H new ATOM 971 N GLU A 74 10.242 0.745 -6.995 1.00 0.00 N ATOM 972 CA GLU A 74 10.684 2.112 -6.783 1.00 0.00 C ATOM 973 C GLU A 74 9.862 2.744 -5.667 1.00 0.00 C ATOM 974 O GLU A 74 8.632 2.751 -5.728 1.00 0.00 O ATOM 975 CB GLU A 74 10.538 2.937 -8.064 1.00 0.00 C ATOM 976 CG GLU A 74 11.629 2.692 -9.095 1.00 0.00 C ATOM 977 CD GLU A 74 11.239 1.666 -10.139 1.00 0.00 C ATOM 978 OE1 GLU A 74 10.346 1.959 -10.962 1.00 0.00 O ATOM 979 OE2 GLU A 74 11.833 0.569 -10.159 1.00 0.00 O ATOM 0 H GLU A 74 9.508 0.646 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 74 11.737 2.098 -6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.571 2.716 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.533 3.995 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.870 3.632 -9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.533 2.358 -8.586 1.00 0.00 H new ATOM 986 N GLY A 75 10.538 3.254 -4.648 1.00 0.00 N ATOM 987 CA GLY A 75 9.848 3.874 -3.532 1.00 0.00 C ATOM 988 C GLY A 75 9.475 5.315 -3.809 1.00 0.00 C ATOM 989 O GLY A 75 10.348 6.162 -4.032 1.00 0.00 O ATOM 0 H GLY A 75 11.555 3.250 -4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.946 3.306 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.483 3.830 -2.647 1.00 0.00 H new ATOM 993 N PHE A 76 8.183 5.602 -3.778 1.00 0.00 N ATOM 994 CA PHE A 76 7.692 6.943 -4.041 1.00 0.00 C ATOM 995 C PHE A 76 6.876 7.451 -2.866 1.00 0.00 C ATOM 996 O PHE A 76 6.143 6.688 -2.231 1.00 0.00 O ATOM 997 CB PHE A 76 6.824 6.955 -5.304 1.00 0.00 C ATOM 998 CG PHE A 76 7.586 7.158 -6.584 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.605 6.295 -6.948 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.272 8.210 -7.425 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.294 6.476 -8.131 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.955 8.395 -8.610 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.969 7.530 -8.963 1.00 0.00 C ATOM 0 H PHE A 76 7.453 4.920 -3.572 1.00 0.00 H new ATOM 0 HA PHE A 76 8.552 7.596 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.281 6.012 -5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.080 7.746 -5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.864 5.471 -6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.483 8.895 -7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.086 5.795 -8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.695 9.217 -9.261 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.508 7.676 -9.888 1.00 0.00 H new ATOM 1013 N LEU A 77 7.020 8.731 -2.563 1.00 0.00 N ATOM 1014 CA LEU A 77 6.271 9.341 -1.477 1.00 0.00 C ATOM 1015 C LEU A 77 4.849 9.635 -1.940 1.00 0.00 C ATOM 1016 O LEU A 77 4.540 9.501 -3.126 1.00 0.00 O ATOM 1017 CB LEU A 77 6.953 10.624 -0.994 1.00 0.00 C ATOM 1018 CG LEU A 77 8.353 10.426 -0.403 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.931 11.751 0.068 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.324 9.421 0.744 1.00 0.00 C ATOM 0 H LEU A 77 7.648 9.367 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 77 6.239 8.645 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.023 11.319 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.320 11.094 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 77 8.995 10.029 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.925 11.587 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.999 12.438 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.284 12.179 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.330 9.298 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.661 9.784 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.960 8.461 0.378 1.00 0.00 H new ATOM 1032 N PHE A 78 3.990 10.044 -1.015 1.00 0.00 N ATOM 1033 CA PHE A 78 2.595 10.333 -1.336 1.00 0.00 C ATOM 1034 C PHE A 78 2.471 11.499 -2.315 1.00 0.00 C ATOM 1035 O PHE A 78 1.571 11.528 -3.155 1.00 0.00 O ATOM 1036 CB PHE A 78 1.800 10.631 -0.059 1.00 0.00 C ATOM 1037 CG PHE A 78 0.332 10.848 -0.308 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -0.429 9.876 -0.942 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.287 12.026 0.081 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.774 10.074 -1.181 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.633 12.230 -0.158 1.00 0.00 C ATOM 1042 CZ PHE A 78 -2.376 11.252 -0.789 1.00 0.00 C ATOM 0 H PHE A 78 4.234 10.184 -0.034 1.00 0.00 H new ATOM 0 HA PHE A 78 2.180 9.447 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.924 9.803 0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.215 11.518 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.037 8.953 -1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.289 12.793 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.354 9.308 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.103 13.153 0.148 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.428 11.409 -0.976 1.00 0.00 H new ATOM 1052 N ASP A 79 3.382 12.454 -2.215 1.00 0.00 N ATOM 1053 CA ASP A 79 3.359 13.615 -3.094 1.00 0.00 C ATOM 1054 C ASP A 79 3.874 13.256 -4.491 1.00 0.00 C ATOM 1055 O ASP A 79 3.504 13.892 -5.480 1.00 0.00 O ATOM 1056 CB ASP A 79 4.178 14.764 -2.490 1.00 0.00 C ATOM 1057 CG ASP A 79 5.629 14.752 -2.921 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.306 13.725 -2.720 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.099 15.771 -3.465 1.00 0.00 O ATOM 0 H ASP A 79 4.144 12.450 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 79 2.325 13.945 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.728 15.714 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.128 14.705 -1.403 1.00 0.00 H new ATOM 1064 N GLY A 80 4.721 12.236 -4.572 1.00 0.00 N ATOM 1065 CA GLY A 80 5.250 11.817 -5.856 1.00 0.00 C ATOM 1066 C GLY A 80 6.764 11.827 -5.905 1.00 0.00 C ATOM 1067 O GLY A 80 7.359 11.388 -6.889 1.00 0.00 O ATOM 0 H GLY A 80 5.050 11.693 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.892 10.812 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.863 12.474 -6.634 1.00 0.00 H new ATOM 1071 N THR A 81 7.393 12.332 -4.854 1.00 0.00 N ATOM 1072 CA THR A 81 8.845 12.387 -4.795 1.00 0.00 C ATOM 1073 C THR A 81 9.432 11.002 -4.551 1.00 0.00 C ATOM 1074 O THR A 81 9.074 10.331 -3.582 1.00 0.00 O ATOM 1075 CB THR A 81 9.325 13.337 -3.680 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.602 14.573 -3.749 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.817 13.611 -3.791 1.00 0.00 C ATOM 0 H THR A 81 6.921 12.709 -4.032 1.00 0.00 H new ATOM 0 HA THR A 81 9.190 12.764 -5.758 1.00 0.00 H new ATOM 0 HB THR A 81 9.137 12.853 -2.721 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.910 15.172 -3.037 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.124 14.284 -2.990 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.366 12.673 -3.707 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.031 14.072 -4.755 1.00 0.00 H new ATOM 1085 N ARG A 82 10.313 10.569 -5.441 1.00 0.00 N ATOM 1086 CA ARG A 82 10.955 9.273 -5.289 1.00 0.00 C ATOM 1087 C ARG A 82 12.072 9.393 -4.262 1.00 0.00 C ATOM 1088 O ARG A 82 12.829 10.367 -4.266 1.00 0.00 O ATOM 1089 CB ARG A 82 11.507 8.762 -6.627 1.00 0.00 C ATOM 1090 CG ARG A 82 12.612 9.622 -7.219 1.00 0.00 C ATOM 1091 CD ARG A 82 13.917 8.854 -7.334 1.00 0.00 C ATOM 1092 NE ARG A 82 15.034 9.739 -7.662 1.00 0.00 N ATOM 1093 CZ ARG A 82 16.315 9.372 -7.646 1.00 0.00 C ATOM 1094 NH1 ARG A 82 16.648 8.119 -7.355 1.00 0.00 N ATOM 1095 NH2 ARG A 82 17.260 10.259 -7.928 1.00 0.00 N ATOM 0 H ARG A 82 10.598 11.092 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 82 10.215 8.550 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.886 7.750 -6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.688 8.699 -7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.310 9.976 -8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.762 10.503 -6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.122 8.341 -6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.822 8.087 -8.102 1.00 0.00 H new ATOM 0 HE ARG A 82 14.818 10.702 -7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.922 7.435 -7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.630 7.842 -7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.006 11.220 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.241 9.980 -7.916 1.00 0.00 H new ATOM 1109 N TRP A 83 12.166 8.421 -3.372 1.00 0.00 N ATOM 1110 CA TRP A 83 13.194 8.452 -2.345 1.00 0.00 C ATOM 1111 C TRP A 83 14.293 7.437 -2.644 1.00 0.00 C ATOM 1112 O TRP A 83 15.373 7.483 -2.055 1.00 0.00 O ATOM 1113 CB TRP A 83 12.580 8.193 -0.969 1.00 0.00 C ATOM 1114 CG TRP A 83 13.353 8.831 0.146 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.221 8.217 1.001 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.337 10.215 0.517 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.745 9.132 1.877 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.218 10.366 1.605 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.664 11.339 0.035 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.443 11.595 2.215 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.886 12.559 0.643 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.771 12.679 1.725 1.00 0.00 C ATOM 0 H TRP A 83 11.551 7.608 -3.338 1.00 0.00 H new ATOM 0 HA TRP A 83 13.644 9.445 -2.342 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.557 8.570 -0.957 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.526 7.118 -0.798 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.460 7.164 0.989 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.420 8.926 2.614 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.982 11.256 -0.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.125 11.689 3.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.370 13.435 0.280 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.924 13.647 2.179 1.00 0.00 H new ATOM 1133 N GLY A 84 14.011 6.524 -3.561 1.00 0.00 N ATOM 1134 CA GLY A 84 14.992 5.525 -3.923 1.00 0.00 C ATOM 1135 C GLY A 84 14.357 4.194 -4.249 1.00 0.00 C ATOM 1136 O GLY A 84 13.186 3.970 -3.943 1.00 0.00 O ATOM 0 H GLY A 84 13.123 6.458 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.563 5.874 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.698 5.398 -3.103 1.00 0.00 H new ATOM 1140 N THR A 85 15.117 3.321 -4.884 1.00 0.00 N ATOM 1141 CA THR A 85 14.628 2.002 -5.243 1.00 0.00 C ATOM 1142 C THR A 85 14.766 1.046 -4.060 1.00 0.00 C ATOM 1143 O THR A 85 15.861 0.857 -3.525 1.00 0.00 O ATOM 1144 CB THR A 85 15.400 1.444 -6.450 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.847 2.528 -7.280 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.527 0.506 -7.268 1.00 0.00 C ATOM 0 H THR A 85 16.081 3.503 -5.163 1.00 0.00 H new ATOM 0 HA THR A 85 13.575 2.093 -5.511 1.00 0.00 H new ATOM 0 HB THR A 85 16.258 0.883 -6.079 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.340 2.170 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.097 0.125 -8.116 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.204 -0.327 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.653 1.047 -7.632 1.00 0.00 H new ATOM 1154 N VAL A 86 13.651 0.452 -3.648 1.00 0.00 N ATOM 1155 CA VAL A 86 13.648 -0.473 -2.523 1.00 0.00 C ATOM 1156 C VAL A 86 13.614 -1.911 -3.026 1.00 0.00 C ATOM 1157 O VAL A 86 13.084 -2.190 -4.106 1.00 0.00 O ATOM 1158 CB VAL A 86 12.447 -0.237 -1.578 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.777 -0.702 -0.168 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.031 1.227 -1.574 1.00 0.00 C ATOM 0 H VAL A 86 12.737 0.596 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 86 14.563 -0.294 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 86 11.607 -0.824 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.920 -0.528 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.012 -1.766 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.636 -0.146 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.185 1.363 -0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.866 1.841 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.745 1.527 -2.582 1.00 0.00 H new ATOM 1170 N ASP A 87 14.181 -2.821 -2.253 1.00 0.00 N ATOM 1171 CA ASP A 87 14.225 -4.222 -2.634 1.00 0.00 C ATOM 1172 C ASP A 87 13.748 -5.111 -1.492 1.00 0.00 C ATOM 1173 O ASP A 87 14.111 -4.898 -0.337 1.00 0.00 O ATOM 1174 CB ASP A 87 15.648 -4.607 -3.036 1.00 0.00 C ATOM 1175 CG ASP A 87 15.785 -6.079 -3.349 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.405 -6.490 -4.462 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.276 -6.835 -2.483 1.00 0.00 O ATOM 0 H ASP A 87 14.618 -2.614 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 87 13.558 -4.369 -3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.945 -4.025 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.333 -4.346 -2.229 1.00 0.00 H new ATOM 1182 N CYS A 88 12.927 -6.095 -1.821 1.00 0.00 N ATOM 1183 CA CYS A 88 12.401 -7.016 -0.825 1.00 0.00 C ATOM 1184 C CYS A 88 12.918 -8.433 -1.074 1.00 0.00 C ATOM 1185 O CYS A 88 12.369 -9.406 -0.558 1.00 0.00 O ATOM 1186 CB CYS A 88 10.869 -6.991 -0.830 1.00 0.00 C ATOM 1187 SG CYS A 88 10.153 -5.410 -0.266 1.00 0.00 S ATOM 0 H CYS A 88 12.609 -6.277 -2.773 1.00 0.00 H new ATOM 0 HA CYS A 88 12.748 -6.695 0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.515 -7.199 -1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.500 -7.794 -0.192 1.00 0.00 H new ATOM 1192 N THR A 89 13.983 -8.547 -1.867 1.00 0.00 N ATOM 1193 CA THR A 89 14.579 -9.846 -2.160 1.00 0.00 C ATOM 1194 C THR A 89 15.384 -10.319 -0.959 1.00 0.00 C ATOM 1195 O THR A 89 15.347 -11.489 -0.583 1.00 0.00 O ATOM 1196 CB THR A 89 15.498 -9.784 -3.396 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.873 -9.009 -4.425 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.804 -11.180 -3.923 1.00 0.00 C ATOM 0 H THR A 89 14.448 -7.758 -2.316 1.00 0.00 H new ATOM 0 HA THR A 89 13.770 -10.545 -2.373 1.00 0.00 H new ATOM 0 HB THR A 89 16.436 -9.315 -3.100 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.402 -8.202 -4.594 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.454 -11.105 -4.795 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.303 -11.761 -3.147 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.874 -11.674 -4.205 1.00 0.00 H new ATOM 1206 N THR A 90 16.094 -9.381 -0.353 1.00 0.00 N ATOM 1207 CA THR A 90 16.903 -9.660 0.819 1.00 0.00 C ATOM 1208 C THR A 90 16.369 -8.848 2.000 1.00 0.00 C ATOM 1209 O THR A 90 17.100 -8.471 2.919 1.00 0.00 O ATOM 1210 CB THR A 90 18.395 -9.338 0.552 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.214 -9.774 1.646 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.609 -7.851 0.304 1.00 0.00 C ATOM 0 H THR A 90 16.125 -8.409 -0.660 1.00 0.00 H new ATOM 0 HA THR A 90 16.839 -10.722 1.056 1.00 0.00 H new ATOM 0 HB THR A 90 18.688 -9.880 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.814 -9.481 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.667 -7.661 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.028 -7.540 -0.564 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.286 -7.286 1.178 1.00 0.00 H new ATOM 1220 N ALA A 91 15.067 -8.591 1.959 1.00 0.00 N ATOM 1221 CA ALA A 91 14.392 -7.827 2.995 1.00 0.00 C ATOM 1222 C ALA A 91 12.915 -8.200 3.044 1.00 0.00 C ATOM 1223 O ALA A 91 12.497 -9.179 2.425 1.00 0.00 O ATOM 1224 CB ALA A 91 14.562 -6.337 2.743 1.00 0.00 C ATOM 0 H ALA A 91 14.453 -8.906 1.208 1.00 0.00 H new ATOM 0 HA ALA A 91 14.840 -8.066 3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.052 -5.775 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.623 -6.086 2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.133 -6.081 1.774 1.00 0.00 H new ATOM 1230 N ALA A 92 12.128 -7.417 3.763 1.00 0.00 N ATOM 1231 CA ALA A 92 10.704 -7.681 3.887 1.00 0.00 C ATOM 1232 C ALA A 92 9.885 -6.593 3.202 1.00 0.00 C ATOM 1233 O ALA A 92 10.317 -5.443 3.106 1.00 0.00 O ATOM 1234 CB ALA A 92 10.320 -7.796 5.355 1.00 0.00 C ATOM 0 H ALA A 92 12.451 -6.593 4.270 1.00 0.00 H new ATOM 0 HA ALA A 92 10.485 -8.627 3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.251 -7.994 5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.877 -8.613 5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.557 -6.863 5.867 1.00 0.00 H new ATOM 1240 N CYS A 93 8.708 -6.962 2.726 1.00 0.00 N ATOM 1241 CA CYS A 93 7.818 -6.026 2.056 1.00 0.00 C ATOM 1242 C CYS A 93 6.550 -5.859 2.881 1.00 0.00 C ATOM 1243 O CYS A 93 6.250 -6.696 3.728 1.00 0.00 O ATOM 1244 CB CYS A 93 7.473 -6.540 0.653 1.00 0.00 C ATOM 1245 SG CYS A 93 8.179 -5.559 -0.716 1.00 0.00 S ATOM 0 H CYS A 93 8.343 -7.912 2.792 1.00 0.00 H new ATOM 0 HA CYS A 93 8.314 -5.060 1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.822 -7.569 0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.389 -6.561 0.545 1.00 0.00 H new ATOM 1250 N GLN A 94 5.822 -4.778 2.673 1.00 0.00 N ATOM 1251 CA GLN A 94 4.590 -4.563 3.414 1.00 0.00 C ATOM 1252 C GLN A 94 3.589 -3.773 2.586 1.00 0.00 C ATOM 1253 O GLN A 94 3.942 -3.165 1.577 1.00 0.00 O ATOM 1254 CB GLN A 94 4.866 -3.866 4.751 1.00 0.00 C ATOM 1255 CG GLN A 94 5.417 -2.458 4.634 1.00 0.00 C ATOM 1256 CD GLN A 94 5.743 -1.869 5.991 1.00 0.00 C ATOM 1257 OE1 GLN A 94 6.860 -2.009 6.492 1.00 0.00 O ATOM 1258 NE2 GLN A 94 4.765 -1.215 6.599 1.00 0.00 N ATOM 0 H GLN A 94 6.057 -4.043 2.006 1.00 0.00 H new ATOM 0 HA GLN A 94 4.154 -5.539 3.629 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.940 -3.832 5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.572 -4.471 5.321 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.315 -2.469 4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.690 -1.824 4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.855 -1.123 6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.922 -0.803 7.519 1.00 0.00 H new ATOM 1267 N VAL A 95 2.335 -3.811 3.001 1.00 0.00 N ATOM 1268 CA VAL A 95 1.280 -3.100 2.295 1.00 0.00 C ATOM 1269 C VAL A 95 0.941 -1.802 3.015 1.00 0.00 C ATOM 1270 O VAL A 95 0.963 -1.744 4.248 1.00 0.00 O ATOM 1271 CB VAL A 95 0.004 -3.961 2.176 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.893 -3.447 1.060 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.359 -5.424 1.948 1.00 0.00 C ATOM 0 H VAL A 95 2.021 -4.326 3.823 1.00 0.00 H new ATOM 0 HA VAL A 95 1.648 -2.880 1.293 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.544 -3.885 3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.786 -4.069 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.183 -2.418 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.354 -3.485 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.555 -6.012 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.934 -5.520 1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.952 -5.789 2.786 1.00 0.00 H new ATOM 1283 N GLY A 96 0.641 -0.764 2.245 1.00 0.00 N ATOM 1284 CA GLY A 96 0.302 0.514 2.825 1.00 0.00 C ATOM 1285 C GLY A 96 -0.705 1.276 1.992 1.00 0.00 C ATOM 1286 O GLY A 96 -0.879 0.997 0.806 1.00 0.00 O ATOM 0 H GLY A 96 0.627 -0.788 1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.101 0.360 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.207 1.112 2.934 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.374 2.233 2.618 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.370 3.046 1.938 1.00 0.00 C ATOM 1292 C LEU A 97 -2.373 4.451 2.524 1.00 0.00 C ATOM 1293 O LEU A 97 -1.974 4.652 3.670 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.769 2.425 2.055 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.369 2.391 3.464 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.887 2.457 3.392 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.929 1.140 4.209 1.00 0.00 C ATOM 0 H LEU A 97 -1.243 2.466 3.602 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.110 3.092 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.447 2.979 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.726 1.404 1.675 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.005 3.260 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.301 2.432 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.188 3.381 2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.262 1.605 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.367 1.138 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.262 0.256 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.842 1.128 4.290 1.00 0.00 H new ATOM 1309 N SER A 98 -2.793 5.423 1.733 1.00 0.00 N ATOM 1310 CA SER A 98 -2.841 6.799 2.193 1.00 0.00 C ATOM 1311 C SER A 98 -4.054 7.528 1.635 1.00 0.00 C ATOM 1312 O SER A 98 -4.340 7.467 0.436 1.00 0.00 O ATOM 1313 CB SER A 98 -1.558 7.531 1.801 1.00 0.00 C ATOM 1314 OG SER A 98 -0.429 6.909 2.386 1.00 0.00 O ATOM 0 H SER A 98 -3.105 5.285 0.772 1.00 0.00 H new ATOM 0 HA SER A 98 -2.928 6.787 3.279 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.454 7.538 0.716 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.614 8.571 2.122 1.00 0.00 H new ATOM 0 HG SER A 98 0.383 7.390 2.123 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.777 8.190 2.523 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.953 8.963 2.151 1.00 0.00 C ATOM 1322 C ASP A 99 -5.525 10.372 1.750 1.00 0.00 C ATOM 1323 O ASP A 99 -4.411 10.568 1.272 1.00 0.00 O ATOM 1324 CB ASP A 99 -6.930 9.025 3.331 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.357 9.780 4.515 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.482 9.231 5.213 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -6.766 10.934 4.741 1.00 0.00 O ATOM 0 H ASP A 99 -4.567 8.208 3.521 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.452 8.485 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.854 9.505 3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.188 8.012 3.640 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.404 11.349 1.946 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.085 12.734 1.626 1.00 0.00 C ATOM 1334 C ALA A 100 -4.996 13.251 2.561 1.00 0.00 C ATOM 1335 O ALA A 100 -4.193 14.114 2.192 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.329 13.604 1.720 1.00 0.00 C ATOM 0 H ALA A 100 -7.341 11.207 2.324 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.715 12.780 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.071 14.635 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.080 13.243 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.729 13.559 2.733 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.984 12.724 3.777 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.994 13.100 4.766 1.00 0.00 C ATOM 1344 C ALA A 101 -2.843 12.098 4.766 1.00 0.00 C ATOM 1345 O ALA A 101 -1.691 12.462 4.520 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.631 13.187 6.144 1.00 0.00 C ATOM 0 H ALA A 101 -5.657 12.029 4.101 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.596 14.082 4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.876 13.470 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.423 13.935 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.051 12.218 6.412 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.161 10.834 5.023 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.144 9.799 5.041 1.00 0.00 C ATOM 1354 C GLY A 102 -2.195 8.955 6.300 1.00 0.00 C ATOM 1355 O GLY A 102 -1.195 8.821 7.009 1.00 0.00 O ATOM 0 H GLY A 102 -4.107 10.507 5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.270 9.155 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.160 10.260 4.956 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.360 8.394 6.586 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.546 7.563 7.768 1.00 0.00 C ATOM 1361 C ASN A 103 -4.510 6.420 7.471 1.00 0.00 C ATOM 1362 O ASN A 103 -4.784 6.118 6.310 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.071 8.405 8.936 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.969 8.818 9.890 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.613 8.078 10.805 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.425 10.007 9.690 1.00 0.00 N ATOM 0 H ASN A 103 -4.197 8.500 6.012 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.580 7.141 8.046 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.563 9.296 8.546 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.825 7.837 9.480 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.683 10.338 10.306 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.748 10.592 8.919 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.013 5.787 8.522 1.00 0.00 N ATOM 1374 CA GLY A 104 -5.936 4.679 8.358 1.00 0.00 C ATOM 1375 C GLY A 104 -5.421 3.430 9.037 1.00 0.00 C ATOM 1376 O GLY A 104 -4.828 3.519 10.111 1.00 0.00 O ATOM 0 H GLY A 104 -4.797 6.022 9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.907 4.947 8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.087 4.483 7.297 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.645 2.245 8.452 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.169 0.979 9.023 1.00 0.00 C ATOM 1382 C PRO A 105 -3.645 0.936 9.139 1.00 0.00 C ATOM 1383 O PRO A 105 -2.935 1.695 8.471 1.00 0.00 O ATOM 1384 CB PRO A 105 -5.659 -0.084 8.031 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.754 0.576 7.263 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.399 2.035 7.206 1.00 0.00 C ATOM 0 HA PRO A 105 -5.542 0.830 10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.854 -0.408 7.371 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.021 -0.971 8.551 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.836 0.155 6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.717 0.428 7.751 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.798 2.269 6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.288 2.665 7.162 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.147 0.054 9.992 1.00 0.00 N ATOM 1395 CA GLU A 106 -1.713 -0.083 10.195 1.00 0.00 C ATOM 1396 C GLU A 106 -1.091 -0.920 9.081 1.00 0.00 C ATOM 1397 O GLU A 106 -1.761 -1.763 8.480 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.428 -0.720 11.555 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.002 -0.506 12.035 1.00 0.00 C ATOM 1400 CD GLU A 106 0.295 -1.240 13.324 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.149 -0.776 14.394 1.00 0.00 O ATOM 1402 OE2 GLU A 106 0.981 -2.278 13.275 1.00 0.00 O ATOM 0 H GLU A 106 -3.715 -0.578 10.555 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.266 0.911 10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.117 -0.308 12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.627 -1.790 11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.691 -0.840 11.263 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.172 0.560 12.180 1.00 0.00 H new ATOM 1409 N GLY A 107 0.186 -0.677 8.811 1.00 0.00 N ATOM 1410 CA GLY A 107 0.884 -1.408 7.772 1.00 0.00 C ATOM 1411 C GLY A 107 1.080 -2.870 8.126 1.00 0.00 C ATOM 1412 O GLY A 107 1.399 -3.204 9.269 1.00 0.00 O ATOM 0 H GLY A 107 0.753 0.018 9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.323 -1.335 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.856 -0.946 7.596 1.00 0.00 H new ATOM 1416 N VAL A 108 0.890 -3.738 7.145 1.00 0.00 N ATOM 1417 CA VAL A 108 1.039 -5.171 7.352 1.00 0.00 C ATOM 1418 C VAL A 108 2.277 -5.684 6.630 1.00 0.00 C ATOM 1419 O VAL A 108 2.358 -5.612 5.401 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.201 -5.943 6.850 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.108 -7.418 7.219 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.476 -5.326 7.409 1.00 0.00 C ATOM 0 H VAL A 108 0.631 -3.475 6.194 1.00 0.00 H new ATOM 0 HA VAL A 108 1.144 -5.339 8.424 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.232 -5.869 5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.993 -7.941 6.855 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.783 -7.851 6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.047 -7.519 8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.340 -5.883 7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.452 -5.365 8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.550 -4.288 7.085 1.00 0.00 H new ATOM 1432 N ALA A 109 3.236 -6.197 7.394 1.00 0.00 N ATOM 1433 CA ALA A 109 4.476 -6.715 6.833 1.00 0.00 C ATOM 1434 C ALA A 109 4.316 -8.161 6.392 1.00 0.00 C ATOM 1435 O ALA A 109 3.655 -8.959 7.059 1.00 0.00 O ATOM 1436 CB ALA A 109 5.609 -6.592 7.843 1.00 0.00 C ATOM 0 H ALA A 109 3.176 -6.265 8.410 1.00 0.00 H new ATOM 0 HA ALA A 109 4.722 -6.119 5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.528 -6.984 7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.750 -5.544 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.361 -7.161 8.739 1.00 0.00 H new ATOM 1442 N ILE A 110 4.926 -8.488 5.263 1.00 0.00 N ATOM 1443 CA ILE A 110 4.865 -9.830 4.706 1.00 0.00 C ATOM 1444 C ILE A 110 6.217 -10.242 4.139 1.00 0.00 C ATOM 1445 O ILE A 110 6.984 -9.406 3.654 1.00 0.00 O ATOM 1446 CB ILE A 110 3.801 -9.943 3.592 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.733 -8.652 2.772 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.446 -10.264 4.197 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.976 -8.797 1.472 1.00 0.00 C ATOM 0 H ILE A 110 5.476 -7.832 4.708 1.00 0.00 H new ATOM 0 HA ILE A 110 4.588 -10.496 5.523 1.00 0.00 H new ATOM 0 HB ILE A 110 4.086 -10.753 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.260 -7.875 3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.747 -8.315 2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.703 -10.342 3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.503 -11.210 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.159 -9.471 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.970 -7.842 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.461 -9.550 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.951 -9.103 1.680 1.00 0.00 H new ATOM 1461 N SER A 111 6.514 -11.526 4.221 1.00 0.00 N ATOM 1462 CA SER A 111 7.765 -12.057 3.706 1.00 0.00 C ATOM 1463 C SER A 111 7.492 -13.134 2.665 1.00 0.00 C ATOM 1464 O SER A 111 6.490 -13.851 2.746 1.00 0.00 O ATOM 1465 CB SER A 111 8.609 -12.628 4.847 1.00 0.00 C ATOM 1466 OG SER A 111 8.820 -11.654 5.855 1.00 0.00 O ATOM 0 H SER A 111 5.902 -12.225 4.642 1.00 0.00 H new ATOM 0 HA SER A 111 8.319 -11.246 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.110 -13.498 5.274 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.569 -12.970 4.459 1.00 0.00 H new ATOM 0 HG SER A 111 9.360 -12.041 6.575 1.00 0.00 H new ATOM 1472 N PHE A 112 8.370 -13.228 1.678 1.00 0.00 N ATOM 1473 CA PHE A 112 8.230 -14.224 0.629 1.00 0.00 C ATOM 1474 C PHE A 112 8.945 -15.504 1.040 1.00 0.00 C ATOM 1475 O PHE A 112 9.760 -15.494 1.965 1.00 0.00 O ATOM 1476 CB PHE A 112 8.804 -13.701 -0.692 1.00 0.00 C ATOM 1477 CG PHE A 112 8.325 -12.324 -1.067 1.00 0.00 C ATOM 1478 CD1 PHE A 112 6.993 -12.096 -1.383 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.210 -11.260 -1.107 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.556 -10.833 -1.732 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.778 -9.995 -1.453 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.450 -9.781 -1.767 1.00 0.00 C ATOM 0 H PHE A 112 9.188 -12.626 1.582 1.00 0.00 H new ATOM 0 HA PHE A 112 7.170 -14.434 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.892 -13.690 -0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.542 -14.395 -1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.290 -12.915 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.250 -11.421 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.517 -10.668 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.478 -9.173 -1.478 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.111 -8.792 -2.039 1.00 0.00 H new ATOM 1492 N ASN A 113 8.642 -16.602 0.363 1.00 0.00 N ATOM 1493 CA ASN A 113 9.269 -17.880 0.681 1.00 0.00 C ATOM 1494 C ASN A 113 10.653 -17.952 0.051 1.00 0.00 C ATOM 1495 O ASN A 113 11.539 -18.602 0.631 1.00 0.00 O ATOM 1496 CB ASN A 113 8.410 -19.068 0.213 1.00 0.00 C ATOM 1497 CG ASN A 113 8.131 -19.053 -1.277 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.947 -19.500 -2.083 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.958 -18.567 -1.655 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.853 -17.341 -1.021 1.00 0.00 O ATOM 0 H ASN A 113 7.971 -16.636 -0.405 1.00 0.00 H new ATOM 0 HA ASN A 113 9.360 -17.946 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.916 -19.998 0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.463 -19.059 0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.706 -18.555 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.307 -18.205 -0.958 1.00 0.00 H new