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 14 SER OG : rot -46:sc= 0.72 USER MOD Set 1.2: A 113 ASN :FLIP amide:sc= 0.63 F(o=-0.58,f=1.4) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 54:sc= 0.14 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -100:sc= -0.912 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 119:sc= 1.29 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.82) USER MOD Single : A 30 THR OG1 : rot -93:sc= 1.18 USER MOD Single : A 32 TYR OH : rot 165:sc= -0.131 USER MOD Single : A 36 GLN : amide:sc= 1.56 K(o=1.6,f=-7.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0492 USER MOD Single : A 48 ASN : amide:sc= -0.646 K(o=-0.65,f=-7.7!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 54 SER OG : rot -89:sc= 1.28 USER MOD Single : A 56 THR OG1 : rot 2:sc= 1.12 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 62 SER OG : rot 35:sc= 0.524 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 116:sc= 1.25 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 121:sc= 0.582 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 110:sc= 1.29 USER MOD Single : A 90 THR OG1 : rot -40:sc=0.000968 USER MOD Single : A 94 GLN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0853 K(o=-0.085,f=-1.1!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.698 5.584 16.415 1.00 0.00 N ATOM 2 CA ALA A 1 -16.225 4.691 15.363 1.00 0.00 C ATOM 3 C ALA A 1 -15.136 3.741 14.885 1.00 0.00 C ATOM 4 O ALA A 1 -14.126 4.172 14.327 1.00 0.00 O ATOM 5 CB ALA A 1 -16.765 5.507 14.197 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.450 6.228 16.733 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.366 5.015 17.220 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.906 6.139 16.034 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.042 4.103 15.782 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.150 4.835 13.430 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.568 6.155 14.548 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.964 6.116 13.777 1.00 0.00 H new ATOM 11 N ALA A 2 -15.343 2.451 15.109 1.00 0.00 N ATOM 12 CA ALA A 2 -14.378 1.441 14.701 1.00 0.00 C ATOM 13 C ALA A 2 -14.673 0.951 13.288 1.00 0.00 C ATOM 14 O ALA A 2 -15.782 0.498 13.001 1.00 0.00 O ATOM 15 CB ALA A 2 -14.395 0.274 15.673 1.00 0.00 C ATOM 0 H ALA A 2 -16.172 2.079 15.572 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.386 1.893 14.709 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.669 -0.474 15.356 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.139 0.628 16.671 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.390 -0.171 15.690 1.00 0.00 H new ATOM 21 N PRO A 3 -13.691 1.053 12.381 1.00 0.00 N ATOM 22 CA PRO A 3 -13.843 0.611 10.991 1.00 0.00 C ATOM 23 C PRO A 3 -13.717 -0.908 10.852 1.00 0.00 C ATOM 24 O PRO A 3 -13.641 -1.628 11.850 1.00 0.00 O ATOM 25 CB PRO A 3 -12.687 1.317 10.283 1.00 0.00 C ATOM 26 CG PRO A 3 -11.632 1.434 11.326 1.00 0.00 C ATOM 27 CD PRO A 3 -12.352 1.616 12.636 1.00 0.00 C ATOM 0 HA PRO A 3 -14.824 0.850 10.581 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.336 0.743 9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.988 2.296 9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.005 0.542 11.347 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.976 2.280 11.122 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.846 1.093 13.447 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.407 2.667 12.920 1.00 0.00 H new ATOM 35 N THR A 4 -13.707 -1.396 9.620 1.00 0.00 N ATOM 36 CA THR A 4 -13.586 -2.823 9.367 1.00 0.00 C ATOM 37 C THR A 4 -12.532 -3.109 8.297 1.00 0.00 C ATOM 38 O THR A 4 -12.841 -3.184 7.108 1.00 0.00 O ATOM 39 CB THR A 4 -14.932 -3.436 8.924 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.005 -2.910 9.717 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.903 -4.950 9.057 1.00 0.00 C ATOM 0 H THR A 4 -13.781 -0.823 8.779 1.00 0.00 H new ATOM 0 HA THR A 4 -13.279 -3.282 10.307 1.00 0.00 H new ATOM 0 HB THR A 4 -15.093 -3.174 7.878 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.852 -3.306 9.424 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.861 -5.362 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.109 -5.355 8.430 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.718 -5.220 10.097 1.00 0.00 H new ATOM 49 N ALA A 5 -11.283 -3.245 8.721 1.00 0.00 N ATOM 50 CA ALA A 5 -10.195 -3.541 7.802 1.00 0.00 C ATOM 51 C ALA A 5 -10.109 -5.044 7.571 1.00 0.00 C ATOM 52 O ALA A 5 -10.111 -5.822 8.526 1.00 0.00 O ATOM 53 CB ALA A 5 -8.877 -3.002 8.338 1.00 0.00 C ATOM 0 H ALA A 5 -10.999 -3.155 9.696 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.395 -3.050 6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.076 -3.234 7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.949 -1.921 8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.660 -3.464 9.301 1.00 0.00 H new ATOM 59 N THR A 6 -10.053 -5.454 6.311 1.00 0.00 N ATOM 60 CA THR A 6 -9.982 -6.870 5.975 1.00 0.00 C ATOM 61 C THR A 6 -9.071 -7.113 4.772 1.00 0.00 C ATOM 62 O THR A 6 -9.538 -7.298 3.646 1.00 0.00 O ATOM 63 CB THR A 6 -11.384 -7.437 5.679 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.278 -6.371 5.316 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.938 -8.183 6.883 1.00 0.00 C ATOM 0 H THR A 6 -10.055 -4.828 5.506 1.00 0.00 H new ATOM 0 HA THR A 6 -9.563 -7.384 6.840 1.00 0.00 H new ATOM 0 HB THR A 6 -11.298 -8.139 4.850 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.889 -5.854 4.580 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.928 -8.572 6.646 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.274 -9.010 7.136 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.009 -7.502 7.731 1.00 0.00 H new ATOM 73 N VAL A 7 -7.770 -7.100 5.011 1.00 0.00 N ATOM 74 CA VAL A 7 -6.802 -7.326 3.949 1.00 0.00 C ATOM 75 C VAL A 7 -6.313 -8.770 3.980 1.00 0.00 C ATOM 76 O VAL A 7 -6.431 -9.453 5.002 1.00 0.00 O ATOM 77 CB VAL A 7 -5.590 -6.372 4.060 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.046 -4.920 4.081 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.764 -6.688 5.295 1.00 0.00 C ATOM 0 H VAL A 7 -7.359 -6.936 5.930 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.307 -7.125 3.004 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.962 -6.522 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.177 -4.267 4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.587 -4.695 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.701 -4.757 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.917 -6.004 5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.382 -6.574 6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.399 -7.713 5.236 1.00 0.00 H new ATOM 89 N THR A 8 -5.783 -9.233 2.863 1.00 0.00 N ATOM 90 CA THR A 8 -5.273 -10.590 2.769 1.00 0.00 C ATOM 91 C THR A 8 -3.756 -10.581 2.549 1.00 0.00 C ATOM 92 O THR A 8 -3.283 -10.353 1.434 1.00 0.00 O ATOM 93 CB THR A 8 -5.960 -11.356 1.619 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.377 -11.134 1.664 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.680 -12.847 1.711 1.00 0.00 C ATOM 0 H THR A 8 -5.694 -8.688 2.005 1.00 0.00 H new ATOM 0 HA THR A 8 -5.494 -11.096 3.709 1.00 0.00 H new ATOM 0 HB THR A 8 -5.557 -10.985 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.808 -11.621 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.176 -13.362 0.888 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.605 -13.020 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.057 -13.230 2.659 1.00 0.00 H new ATOM 103 N PRO A 9 -2.974 -10.807 3.620 1.00 0.00 N ATOM 104 CA PRO A 9 -1.510 -10.825 3.542 1.00 0.00 C ATOM 105 C PRO A 9 -0.986 -12.040 2.779 1.00 0.00 C ATOM 106 O PRO A 9 -1.412 -13.171 3.019 1.00 0.00 O ATOM 107 CB PRO A 9 -1.070 -10.872 5.006 1.00 0.00 C ATOM 108 CG PRO A 9 -2.221 -11.474 5.736 1.00 0.00 C ATOM 109 CD PRO A 9 -3.460 -11.059 4.988 1.00 0.00 C ATOM 0 HA PRO A 9 -1.120 -9.963 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.168 -11.472 5.128 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.843 -9.874 5.382 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.134 -12.560 5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.254 -11.123 6.767 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.219 -11.841 5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.911 -10.167 5.423 1.00 0.00 H new ATOM 117 N SER A 10 -0.049 -11.802 1.873 1.00 0.00 N ATOM 118 CA SER A 10 0.535 -12.864 1.063 1.00 0.00 C ATOM 119 C SER A 10 1.734 -13.508 1.762 1.00 0.00 C ATOM 120 O SER A 10 2.700 -13.914 1.116 1.00 0.00 O ATOM 121 CB SER A 10 0.958 -12.282 -0.285 1.00 0.00 C ATOM 122 OG SER A 10 0.185 -11.137 -0.598 1.00 0.00 O ATOM 0 H SER A 10 0.327 -10.874 1.678 1.00 0.00 H new ATOM 0 HA SER A 10 -0.212 -13.644 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.015 -12.017 -0.257 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.838 -13.033 -1.066 1.00 0.00 H new ATOM 0 HG SER A 10 -0.523 -11.383 -1.229 1.00 0.00 H new ATOM 128 N SER A 11 1.667 -13.597 3.084 1.00 0.00 N ATOM 129 CA SER A 11 2.740 -14.183 3.870 1.00 0.00 C ATOM 130 C SER A 11 2.855 -15.681 3.594 1.00 0.00 C ATOM 131 O SER A 11 1.901 -16.433 3.793 1.00 0.00 O ATOM 132 CB SER A 11 2.488 -13.927 5.356 1.00 0.00 C ATOM 133 OG SER A 11 2.120 -12.575 5.576 1.00 0.00 O ATOM 0 H SER A 11 0.875 -13.268 3.636 1.00 0.00 H new ATOM 0 HA SER A 11 3.683 -13.716 3.585 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.698 -14.587 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.385 -14.163 5.928 1.00 0.00 H new ATOM 0 HG SER A 11 1.961 -12.431 6.532 1.00 0.00 H new ATOM 139 N GLY A 12 4.019 -16.094 3.109 1.00 0.00 N ATOM 140 CA GLY A 12 4.249 -17.494 2.809 1.00 0.00 C ATOM 141 C GLY A 12 4.178 -17.771 1.327 1.00 0.00 C ATOM 142 O GLY A 12 4.380 -18.901 0.882 1.00 0.00 O ATOM 0 H GLY A 12 4.811 -15.481 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.227 -17.790 3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.509 -18.103 3.328 1.00 0.00 H new ATOM 146 N LEU A 13 3.901 -16.733 0.558 1.00 0.00 N ATOM 147 CA LEU A 13 3.793 -16.863 -0.884 1.00 0.00 C ATOM 148 C LEU A 13 5.034 -16.293 -1.567 1.00 0.00 C ATOM 149 O LEU A 13 6.043 -16.026 -0.911 1.00 0.00 O ATOM 150 CB LEU A 13 2.517 -16.167 -1.374 1.00 0.00 C ATOM 151 CG LEU A 13 1.227 -16.633 -0.685 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.011 -15.920 -1.256 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.064 -18.140 -0.812 1.00 0.00 C ATOM 0 H LEU A 13 3.746 -15.788 0.909 1.00 0.00 H new ATOM 0 HA LEU A 13 3.729 -17.919 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.625 -15.093 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.419 -16.331 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 13 1.304 -16.379 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.888 -16.270 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.116 -14.845 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.068 -16.132 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.144 -18.449 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.019 -18.414 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.913 -18.639 -0.344 1.00 0.00 H new ATOM 165 N SER A 14 4.971 -16.128 -2.876 1.00 0.00 N ATOM 166 CA SER A 14 6.098 -15.603 -3.635 1.00 0.00 C ATOM 167 C SER A 14 5.757 -14.242 -4.238 1.00 0.00 C ATOM 168 O SER A 14 4.712 -13.663 -3.930 1.00 0.00 O ATOM 169 CB SER A 14 6.474 -16.586 -4.746 1.00 0.00 C ATOM 170 OG SER A 14 6.295 -17.931 -4.327 1.00 0.00 O ATOM 0 H SER A 14 4.150 -16.350 -3.439 1.00 0.00 H new ATOM 0 HA SER A 14 6.944 -15.477 -2.959 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.863 -16.393 -5.628 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.512 -16.429 -5.038 1.00 0.00 H new ATOM 0 HG SER A 14 6.675 -18.048 -3.431 1.00 0.00 H new ATOM 176 N ASP A 15 6.635 -13.731 -5.093 1.00 0.00 N ATOM 177 CA ASP A 15 6.411 -12.447 -5.741 1.00 0.00 C ATOM 178 C ASP A 15 5.427 -12.611 -6.893 1.00 0.00 C ATOM 179 O ASP A 15 5.215 -13.719 -7.386 1.00 0.00 O ATOM 180 CB ASP A 15 7.730 -11.854 -6.252 1.00 0.00 C ATOM 181 CG ASP A 15 8.230 -12.520 -7.522 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.941 -13.546 -7.426 1.00 0.00 O ATOM 183 OD2 ASP A 15 7.930 -12.007 -8.621 1.00 0.00 O ATOM 0 H ASP A 15 7.509 -14.188 -5.353 1.00 0.00 H new ATOM 0 HA ASP A 15 5.991 -11.759 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.595 -10.788 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.489 -11.949 -5.476 1.00 0.00 H new ATOM 188 N GLY A 16 4.817 -11.511 -7.309 1.00 0.00 N ATOM 189 CA GLY A 16 3.859 -11.562 -8.395 1.00 0.00 C ATOM 190 C GLY A 16 2.479 -11.950 -7.913 1.00 0.00 C ATOM 191 O GLY A 16 1.530 -12.007 -8.696 1.00 0.00 O ATOM 0 H GLY A 16 4.968 -10.583 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.812 -10.589 -8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.197 -12.279 -9.144 1.00 0.00 H new ATOM 195 N THR A 17 2.374 -12.224 -6.621 1.00 0.00 N ATOM 196 CA THR A 17 1.112 -12.611 -6.019 1.00 0.00 C ATOM 197 C THR A 17 0.166 -11.422 -5.916 1.00 0.00 C ATOM 198 O THR A 17 0.586 -10.299 -5.623 1.00 0.00 O ATOM 199 CB THR A 17 1.327 -13.222 -4.618 1.00 0.00 C ATOM 200 OG1 THR A 17 2.275 -14.294 -4.697 1.00 0.00 O ATOM 201 CG2 THR A 17 0.021 -13.747 -4.032 1.00 0.00 C ATOM 0 H THR A 17 3.156 -12.184 -5.967 1.00 0.00 H new ATOM 0 HA THR A 17 0.664 -13.364 -6.667 1.00 0.00 H new ATOM 0 HB THR A 17 1.705 -12.435 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.056 -14.081 -4.145 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.209 -14.170 -3.045 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.694 -12.929 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.387 -14.518 -4.686 1.00 0.00 H new ATOM 209 N VAL A 18 -1.104 -11.671 -6.188 1.00 0.00 N ATOM 210 CA VAL A 18 -2.116 -10.634 -6.123 1.00 0.00 C ATOM 211 C VAL A 18 -2.563 -10.414 -4.676 1.00 0.00 C ATOM 212 O VAL A 18 -3.193 -11.282 -4.072 1.00 0.00 O ATOM 213 CB VAL A 18 -3.336 -10.995 -6.997 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.357 -9.870 -6.994 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.895 -11.315 -8.417 1.00 0.00 C ATOM 0 H VAL A 18 -1.459 -12.589 -6.457 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.676 -9.713 -6.506 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.809 -11.881 -6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.207 -10.148 -7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.698 -9.691 -5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.900 -8.963 -7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.767 -11.568 -9.021 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.395 -10.447 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.207 -12.160 -8.403 1.00 0.00 H new ATOM 225 N VAL A 19 -2.221 -9.255 -4.125 1.00 0.00 N ATOM 226 CA VAL A 19 -2.577 -8.921 -2.751 1.00 0.00 C ATOM 227 C VAL A 19 -3.942 -8.245 -2.708 1.00 0.00 C ATOM 228 O VAL A 19 -4.173 -7.250 -3.399 1.00 0.00 O ATOM 229 CB VAL A 19 -1.532 -7.988 -2.096 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.736 -7.927 -0.586 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.116 -8.434 -2.438 1.00 0.00 C ATOM 0 H VAL A 19 -1.696 -8.528 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.605 -9.855 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.673 -6.984 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.991 -7.265 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.734 -7.546 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.630 -8.926 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.601 -7.762 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.044 -9.449 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.022 -8.410 -3.519 1.00 0.00 H new ATOM 241 N LYS A 20 -4.841 -8.793 -1.904 1.00 0.00 N ATOM 242 CA LYS A 20 -6.182 -8.242 -1.778 1.00 0.00 C ATOM 243 C LYS A 20 -6.263 -7.265 -0.613 1.00 0.00 C ATOM 244 O LYS A 20 -5.902 -7.591 0.520 1.00 0.00 O ATOM 245 CB LYS A 20 -7.217 -9.358 -1.597 1.00 0.00 C ATOM 246 CG LYS A 20 -8.592 -8.848 -1.186 1.00 0.00 C ATOM 247 CD LYS A 20 -9.653 -9.926 -1.315 1.00 0.00 C ATOM 248 CE LYS A 20 -10.064 -10.133 -2.762 1.00 0.00 C ATOM 249 NZ LYS A 20 -11.296 -10.956 -2.868 1.00 0.00 N ATOM 0 H LYS A 20 -4.667 -9.618 -1.330 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.405 -7.704 -2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.308 -9.914 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.857 -10.058 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.556 -8.495 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.864 -7.994 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.273 -10.862 -0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.526 -9.651 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.230 -9.165 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.253 -10.619 -3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.547 -11.077 -3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.129 -11.888 -2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.075 -10.480 -2.371 1.00 0.00 H new ATOM 263 N VAL A 21 -6.732 -6.063 -0.902 1.00 0.00 N ATOM 264 CA VAL A 21 -6.883 -5.033 0.108 1.00 0.00 C ATOM 265 C VAL A 21 -8.328 -4.555 0.144 1.00 0.00 C ATOM 266 O VAL A 21 -8.791 -3.895 -0.786 1.00 0.00 O ATOM 267 CB VAL A 21 -5.947 -3.834 -0.160 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.144 -2.751 0.891 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.497 -4.293 -0.191 1.00 0.00 C ATOM 0 H VAL A 21 -7.017 -5.776 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.611 -5.466 1.071 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.198 -3.411 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.475 -1.916 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.177 -2.403 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.922 -3.157 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.849 -3.438 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.236 -4.740 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.366 -5.031 -0.983 1.00 0.00 H new ATOM 279 N ALA A 22 -9.042 -4.909 1.203 1.00 0.00 N ATOM 280 CA ALA A 22 -10.431 -4.519 1.347 1.00 0.00 C ATOM 281 C ALA A 22 -10.655 -3.803 2.671 1.00 0.00 C ATOM 282 O ALA A 22 -10.490 -4.383 3.746 1.00 0.00 O ATOM 283 CB ALA A 22 -11.333 -5.738 1.233 1.00 0.00 C ATOM 0 H ALA A 22 -8.678 -5.467 1.975 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.682 -3.826 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.373 -5.432 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.193 -6.204 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.080 -6.452 2.017 1.00 0.00 H new ATOM 289 N GLY A 23 -11.014 -2.535 2.591 1.00 0.00 N ATOM 290 CA GLY A 23 -11.259 -1.759 3.786 1.00 0.00 C ATOM 291 C GLY A 23 -12.690 -1.267 3.854 1.00 0.00 C ATOM 292 O GLY A 23 -13.186 -0.660 2.907 1.00 0.00 O ATOM 0 H GLY A 23 -11.141 -2.026 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.041 -2.366 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.580 -0.907 3.811 1.00 0.00 H new ATOM 296 N ALA A 24 -13.361 -1.551 4.954 1.00 0.00 N ATOM 297 CA ALA A 24 -14.736 -1.129 5.144 1.00 0.00 C ATOM 298 C ALA A 24 -14.836 -0.184 6.330 1.00 0.00 C ATOM 299 O ALA A 24 -13.950 -0.156 7.186 1.00 0.00 O ATOM 300 CB ALA A 24 -15.630 -2.341 5.344 1.00 0.00 C ATOM 0 H ALA A 24 -12.972 -2.077 5.736 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.071 -0.597 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.660 -2.014 5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.571 -2.985 4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.301 -2.895 6.223 1.00 0.00 H new ATOM 306 N GLY A 25 -15.908 0.587 6.377 1.00 0.00 N ATOM 307 CA GLY A 25 -16.090 1.527 7.465 1.00 0.00 C ATOM 308 C GLY A 25 -15.206 2.746 7.292 1.00 0.00 C ATOM 309 O GLY A 25 -14.847 3.416 8.264 1.00 0.00 O ATOM 0 H GLY A 25 -16.656 0.581 5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.134 1.836 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.860 1.039 8.412 1.00 0.00 H new ATOM 313 N LEU A 26 -14.851 3.019 6.045 1.00 0.00 N ATOM 314 CA LEU A 26 -14.007 4.157 5.715 1.00 0.00 C ATOM 315 C LEU A 26 -14.868 5.358 5.355 1.00 0.00 C ATOM 316 O LEU A 26 -16.099 5.280 5.377 1.00 0.00 O ATOM 317 CB LEU A 26 -13.078 3.813 4.545 1.00 0.00 C ATOM 318 CG LEU A 26 -12.162 2.607 4.767 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.399 2.291 3.491 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.193 2.870 5.915 1.00 0.00 C ATOM 0 H LEU A 26 -15.137 2.463 5.239 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.398 4.401 6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.688 3.627 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.459 4.683 4.327 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.778 1.747 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.750 1.432 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.105 2.063 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.795 3.152 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.551 2.000 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.579 3.740 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.755 3.058 6.830 1.00 0.00 H new ATOM 332 N GLN A 27 -14.221 6.468 5.037 1.00 0.00 N ATOM 333 CA GLN A 27 -14.936 7.676 4.656 1.00 0.00 C ATOM 334 C GLN A 27 -15.373 7.575 3.199 1.00 0.00 C ATOM 335 O GLN A 27 -14.542 7.585 2.291 1.00 0.00 O ATOM 336 CB GLN A 27 -14.050 8.906 4.866 1.00 0.00 C ATOM 337 CG GLN A 27 -14.819 10.152 5.281 1.00 0.00 C ATOM 338 CD GLN A 27 -15.581 9.966 6.582 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.194 9.167 7.439 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.662 10.711 6.743 1.00 0.00 N ATOM 0 H GLN A 27 -13.205 6.558 5.035 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.821 7.781 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.304 8.680 5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.509 9.115 3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.123 10.984 5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.519 10.422 4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.948 11.360 6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.209 10.637 7.600 1.00 0.00 H new ATOM 349 N ALA A 28 -16.674 7.459 2.985 1.00 0.00 N ATOM 350 CA ALA A 28 -17.233 7.340 1.644 1.00 0.00 C ATOM 351 C ALA A 28 -16.885 8.551 0.786 1.00 0.00 C ATOM 352 O ALA A 28 -16.972 9.694 1.244 1.00 0.00 O ATOM 353 CB ALA A 28 -18.746 7.159 1.716 1.00 0.00 C ATOM 0 H ALA A 28 -17.370 7.445 3.730 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.792 6.461 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.150 7.071 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.978 6.255 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.192 8.021 2.212 1.00 0.00 H new ATOM 359 N GLY A 29 -16.462 8.291 -0.447 1.00 0.00 N ATOM 360 CA GLY A 29 -16.126 9.368 -1.360 1.00 0.00 C ATOM 361 C GLY A 29 -14.652 9.735 -1.370 1.00 0.00 C ATOM 362 O GLY A 29 -14.249 10.661 -2.067 1.00 0.00 O ATOM 0 H GLY A 29 -16.346 7.353 -0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.425 9.082 -2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.707 10.251 -1.094 1.00 0.00 H new ATOM 366 N THR A 30 -13.838 9.016 -0.608 1.00 0.00 N ATOM 367 CA THR A 30 -12.410 9.308 -0.560 1.00 0.00 C ATOM 368 C THR A 30 -11.614 8.312 -1.393 1.00 0.00 C ATOM 369 O THR A 30 -12.102 7.224 -1.708 1.00 0.00 O ATOM 370 CB THR A 30 -11.875 9.297 0.885 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.118 8.024 1.496 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.518 10.404 1.710 1.00 0.00 C ATOM 0 H THR A 30 -14.136 8.236 -0.022 1.00 0.00 H new ATOM 0 HA THR A 30 -12.283 10.308 -0.975 1.00 0.00 H new ATOM 0 HB THR A 30 -10.800 9.474 0.850 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.968 8.052 1.982 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.124 10.376 2.726 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.292 11.371 1.260 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.598 10.259 1.735 1.00 0.00 H new ATOM 380 N ALA A 31 -10.398 8.691 -1.764 1.00 0.00 N ATOM 381 CA ALA A 31 -9.541 7.821 -2.551 1.00 0.00 C ATOM 382 C ALA A 31 -8.371 7.323 -1.717 1.00 0.00 C ATOM 383 O ALA A 31 -7.613 8.117 -1.157 1.00 0.00 O ATOM 384 CB ALA A 31 -9.044 8.545 -3.792 1.00 0.00 C ATOM 0 H ALA A 31 -9.985 9.594 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.126 6.957 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.403 7.879 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.895 8.849 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.476 9.427 -3.496 1.00 0.00 H new ATOM 390 N TYR A 32 -8.228 6.011 -1.637 1.00 0.00 N ATOM 391 CA TYR A 32 -7.158 5.406 -0.865 1.00 0.00 C ATOM 392 C TYR A 32 -6.050 4.897 -1.776 1.00 0.00 C ATOM 393 O TYR A 32 -6.290 4.084 -2.673 1.00 0.00 O ATOM 394 CB TYR A 32 -7.697 4.255 -0.007 1.00 0.00 C ATOM 395 CG TYR A 32 -8.205 4.690 1.352 1.00 0.00 C ATOM 396 CD1 TYR A 32 -9.404 5.385 1.484 1.00 0.00 C ATOM 397 CD2 TYR A 32 -7.483 4.406 2.506 1.00 0.00 C ATOM 398 CE1 TYR A 32 -9.864 5.784 2.725 1.00 0.00 C ATOM 399 CE2 TYR A 32 -7.938 4.805 3.749 1.00 0.00 C ATOM 400 CZ TYR A 32 -9.128 5.492 3.853 1.00 0.00 C ATOM 401 OH TYR A 32 -9.576 5.895 5.091 1.00 0.00 O ATOM 0 H TYR A 32 -8.843 5.342 -2.100 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.744 6.173 -0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.506 3.761 -0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.907 3.516 0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.984 5.616 0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.551 3.865 2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.796 6.322 2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.363 4.579 4.635 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.079 5.420 5.789 1.00 0.00 H new ATOM 411 N ASP A 33 -4.840 5.389 -1.548 1.00 0.00 N ATOM 412 CA ASP A 33 -3.683 4.973 -2.328 1.00 0.00 C ATOM 413 C ASP A 33 -3.034 3.790 -1.633 1.00 0.00 C ATOM 414 O ASP A 33 -2.448 3.939 -0.557 1.00 0.00 O ATOM 415 CB ASP A 33 -2.665 6.110 -2.475 1.00 0.00 C ATOM 416 CG ASP A 33 -3.200 7.273 -3.286 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.345 7.130 -4.518 1.00 0.00 O ATOM 418 OD2 ASP A 33 -3.464 8.343 -2.695 1.00 0.00 O ATOM 0 H ASP A 33 -4.634 6.080 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.014 4.697 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.377 6.465 -1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.763 5.725 -2.951 1.00 0.00 H new ATOM 423 N VAL A 34 -3.156 2.617 -2.227 1.00 0.00 N ATOM 424 CA VAL A 34 -2.602 1.412 -1.634 1.00 0.00 C ATOM 425 C VAL A 34 -1.517 0.802 -2.516 1.00 0.00 C ATOM 426 O VAL A 34 -1.717 0.595 -3.715 1.00 0.00 O ATOM 427 CB VAL A 34 -3.701 0.357 -1.381 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.149 -0.800 -0.569 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.902 0.977 -0.680 1.00 0.00 C ATOM 0 H VAL A 34 -3.632 2.472 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.160 1.706 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.034 -0.024 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.937 -1.534 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.328 -1.267 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.785 -0.431 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.661 0.212 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.590 1.392 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.316 1.771 -1.302 1.00 0.00 H new ATOM 439 N GLY A 35 -0.366 0.539 -1.913 1.00 0.00 N ATOM 440 CA GLY A 35 0.735 -0.064 -2.631 1.00 0.00 C ATOM 441 C GLY A 35 1.659 -0.798 -1.687 1.00 0.00 C ATOM 442 O GLY A 35 1.399 -0.843 -0.483 1.00 0.00 O ATOM 0 H GLY A 35 -0.176 0.735 -0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.350 -0.756 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.291 0.706 -3.165 1.00 0.00 H new ATOM 446 N GLN A 36 2.721 -1.387 -2.217 1.00 0.00 N ATOM 447 CA GLN A 36 3.678 -2.095 -1.379 1.00 0.00 C ATOM 448 C GLN A 36 4.710 -1.094 -0.868 1.00 0.00 C ATOM 449 O GLN A 36 5.425 -0.466 -1.646 1.00 0.00 O ATOM 450 CB GLN A 36 4.337 -3.262 -2.136 1.00 0.00 C ATOM 451 CG GLN A 36 5.281 -2.847 -3.250 1.00 0.00 C ATOM 452 CD GLN A 36 5.855 -4.036 -3.992 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.316 -4.463 -5.008 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.945 -4.590 -3.482 1.00 0.00 N ATOM 0 H GLN A 36 2.941 -1.389 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 36 3.160 -2.540 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.887 -3.875 -1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.553 -3.891 -2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.750 -2.205 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.095 -2.256 -2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.364 -4.206 -2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.365 -5.401 -3.936 1.00 0.00 H new ATOM 463 N CYS A 37 4.761 -0.921 0.439 1.00 0.00 N ATOM 464 CA CYS A 37 5.673 0.030 1.035 1.00 0.00 C ATOM 465 C CYS A 37 6.686 -0.653 1.944 1.00 0.00 C ATOM 466 O CYS A 37 6.362 -1.607 2.652 1.00 0.00 O ATOM 467 CB CYS A 37 4.872 1.075 1.813 1.00 0.00 C ATOM 468 SG CYS A 37 3.161 1.274 1.215 1.00 0.00 S ATOM 0 H CYS A 37 4.180 -1.428 1.107 1.00 0.00 H new ATOM 0 HA CYS A 37 6.235 0.516 0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.850 0.794 2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.384 2.035 1.750 1.00 0.00 H new ATOM 473 N ALA A 38 7.918 -0.170 1.888 1.00 0.00 N ATOM 474 CA ALA A 38 9.001 -0.693 2.706 1.00 0.00 C ATOM 475 C ALA A 38 9.883 0.460 3.162 1.00 0.00 C ATOM 476 O ALA A 38 9.644 1.610 2.784 1.00 0.00 O ATOM 477 CB ALA A 38 9.810 -1.724 1.928 1.00 0.00 C ATOM 0 H ALA A 38 8.195 0.596 1.274 1.00 0.00 H new ATOM 0 HA ALA A 38 8.587 -1.192 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.616 -2.104 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.161 -2.548 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.233 -1.258 1.038 1.00 0.00 H new ATOM 483 N TRP A 39 10.883 0.161 3.976 1.00 0.00 N ATOM 484 CA TRP A 39 11.794 1.184 4.475 1.00 0.00 C ATOM 485 C TRP A 39 12.619 1.771 3.337 1.00 0.00 C ATOM 486 O TRP A 39 13.557 1.141 2.849 1.00 0.00 O ATOM 487 CB TRP A 39 12.720 0.602 5.544 1.00 0.00 C ATOM 488 CG TRP A 39 12.200 0.764 6.942 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.968 0.405 7.408 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.898 1.329 8.058 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.856 0.717 8.742 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.029 1.283 9.165 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.178 1.870 8.228 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.397 1.758 10.423 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.543 2.339 9.477 1.00 0.00 C ATOM 496 CH2 TRP A 39 13.656 2.283 10.560 1.00 0.00 C ATOM 0 H TRP A 39 11.086 -0.782 4.307 1.00 0.00 H new ATOM 0 HA TRP A 39 11.198 1.980 4.921 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.872 -0.458 5.343 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.695 1.084 5.470 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.193 -0.057 6.814 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.033 0.554 9.322 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.868 1.920 7.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.715 1.714 11.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.529 2.756 9.620 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.970 2.661 11.522 1.00 0.00 H new ATOM 507 N VAL A 40 12.257 2.973 2.910 1.00 0.00 N ATOM 508 CA VAL A 40 12.962 3.644 1.828 1.00 0.00 C ATOM 509 C VAL A 40 14.134 4.456 2.373 1.00 0.00 C ATOM 510 O VAL A 40 15.109 4.713 1.667 1.00 0.00 O ATOM 511 CB VAL A 40 12.017 4.559 1.012 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.691 5.843 1.766 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.618 4.878 -0.347 1.00 0.00 C ATOM 0 H VAL A 40 11.477 3.504 3.298 1.00 0.00 H new ATOM 0 HA VAL A 40 13.343 2.872 1.160 1.00 0.00 H new ATOM 0 HB VAL A 40 11.084 4.016 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.026 6.460 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.202 5.597 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.612 6.391 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.937 5.522 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.572 5.388 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.777 3.953 -0.901 1.00 0.00 H new ATOM 523 N ASP A 41 14.033 4.850 3.638 1.00 0.00 N ATOM 524 CA ASP A 41 15.080 5.628 4.281 1.00 0.00 C ATOM 525 C ASP A 41 15.114 5.334 5.779 1.00 0.00 C ATOM 526 O ASP A 41 14.523 4.358 6.242 1.00 0.00 O ATOM 527 CB ASP A 41 14.872 7.129 4.037 1.00 0.00 C ATOM 528 CG ASP A 41 16.177 7.908 4.052 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.639 8.287 5.149 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.755 8.135 2.965 1.00 0.00 O ATOM 0 H ASP A 41 13.234 4.642 4.237 1.00 0.00 H new ATOM 0 HA ASP A 41 16.037 5.340 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.378 7.272 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.205 7.529 4.801 1.00 0.00 H new ATOM 535 N THR A 42 15.781 6.199 6.524 1.00 0.00 N ATOM 536 CA THR A 42 15.937 6.050 7.961 1.00 0.00 C ATOM 537 C THR A 42 14.652 6.392 8.721 1.00 0.00 C ATOM 538 O THR A 42 14.483 7.509 9.212 1.00 0.00 O ATOM 539 CB THR A 42 17.080 6.954 8.453 1.00 0.00 C ATOM 540 OG1 THR A 42 18.000 7.196 7.373 1.00 0.00 O ATOM 541 CG2 THR A 42 17.815 6.312 9.617 1.00 0.00 C ATOM 0 H THR A 42 16.233 7.031 6.145 1.00 0.00 H new ATOM 0 HA THR A 42 16.170 5.004 8.159 1.00 0.00 H new ATOM 0 HB THR A 42 16.654 7.898 8.794 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.727 7.773 7.686 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.619 6.970 9.947 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.120 6.147 10.440 1.00 0.00 H new ATOM 0 HG23 THR A 42 18.235 5.357 9.300 1.00 0.00 H new ATOM 549 N GLY A 43 13.744 5.425 8.800 1.00 0.00 N ATOM 550 CA GLY A 43 12.494 5.627 9.512 1.00 0.00 C ATOM 551 C GLY A 43 11.357 5.996 8.584 1.00 0.00 C ATOM 552 O GLY A 43 10.191 6.008 8.983 1.00 0.00 O ATOM 0 H GLY A 43 13.852 4.501 8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.236 4.717 10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.624 6.415 10.254 1.00 0.00 H new ATOM 556 N VAL A 44 11.694 6.289 7.338 1.00 0.00 N ATOM 557 CA VAL A 44 10.698 6.668 6.349 1.00 0.00 C ATOM 558 C VAL A 44 10.410 5.506 5.408 1.00 0.00 C ATOM 559 O VAL A 44 11.334 4.884 4.873 1.00 0.00 O ATOM 560 CB VAL A 44 11.162 7.885 5.518 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.017 8.438 4.680 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.737 8.966 6.422 1.00 0.00 C ATOM 0 H VAL A 44 12.652 6.271 6.987 1.00 0.00 H new ATOM 0 HA VAL A 44 9.791 6.937 6.891 1.00 0.00 H new ATOM 0 HB VAL A 44 11.948 7.552 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.368 9.294 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.658 7.666 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.204 8.751 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.058 9.814 5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.974 9.293 7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.591 8.567 6.969 1.00 0.00 H new ATOM 572 N LEU A 45 9.136 5.206 5.226 1.00 0.00 N ATOM 573 CA LEU A 45 8.721 4.131 4.339 1.00 0.00 C ATOM 574 C LEU A 45 8.160 4.722 3.055 1.00 0.00 C ATOM 575 O LEU A 45 7.792 5.893 3.023 1.00 0.00 O ATOM 576 CB LEU A 45 7.669 3.244 5.013 1.00 0.00 C ATOM 577 CG LEU A 45 8.207 2.245 6.039 1.00 0.00 C ATOM 578 CD1 LEU A 45 8.180 2.845 7.437 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.405 0.952 5.997 1.00 0.00 C ATOM 0 H LEU A 45 8.366 5.694 5.683 1.00 0.00 H new ATOM 0 HA LEU A 45 9.588 3.513 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.940 3.887 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.136 2.692 4.239 1.00 0.00 H new ATOM 0 HG LEU A 45 9.242 2.016 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.567 2.119 8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.799 3.742 7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.155 3.105 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.802 0.253 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.360 1.164 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.477 0.511 5.003 1.00 0.00 H new ATOM 591 N ALA A 46 8.118 3.928 1.998 1.00 0.00 N ATOM 592 CA ALA A 46 7.597 4.395 0.722 1.00 0.00 C ATOM 593 C ALA A 46 6.988 3.245 -0.063 1.00 0.00 C ATOM 594 O ALA A 46 7.474 2.116 0.009 1.00 0.00 O ATOM 595 CB ALA A 46 8.692 5.068 -0.086 1.00 0.00 C ATOM 0 H ALA A 46 8.437 2.959 1.997 1.00 0.00 H new ATOM 0 HA ALA A 46 6.814 5.127 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.284 5.411 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.083 5.920 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.497 4.357 -0.272 1.00 0.00 H new ATOM 601 N CYS A 47 5.924 3.537 -0.799 1.00 0.00 N ATOM 602 CA CYS A 47 5.237 2.530 -1.598 1.00 0.00 C ATOM 603 C CYS A 47 5.624 2.654 -3.065 1.00 0.00 C ATOM 604 O CYS A 47 6.275 3.621 -3.461 1.00 0.00 O ATOM 605 CB CYS A 47 3.718 2.665 -1.447 1.00 0.00 C ATOM 606 SG CYS A 47 3.160 3.057 0.243 1.00 0.00 S ATOM 0 H CYS A 47 5.515 4.470 -0.859 1.00 0.00 H new ATOM 0 HA CYS A 47 5.540 1.548 -1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.366 3.445 -2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.250 1.733 -1.764 1.00 0.00 H new ATOM 611 N ASN A 48 5.221 1.673 -3.863 1.00 0.00 N ATOM 612 CA ASN A 48 5.520 1.664 -5.289 1.00 0.00 C ATOM 613 C ASN A 48 4.476 2.465 -6.064 1.00 0.00 C ATOM 614 O ASN A 48 3.281 2.356 -5.802 1.00 0.00 O ATOM 615 CB ASN A 48 5.592 0.223 -5.817 1.00 0.00 C ATOM 616 CG ASN A 48 4.267 -0.522 -5.757 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.473 -0.351 -4.828 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.034 -1.378 -6.739 1.00 0.00 N ATOM 0 H ASN A 48 4.682 0.868 -3.543 1.00 0.00 H new ATOM 0 HA ASN A 48 6.492 2.134 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.941 0.242 -6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.334 -0.328 -5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.173 -1.925 -6.745 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.715 -1.491 -7.490 1.00 0.00 H new ATOM 625 N PRO A 49 4.918 3.309 -7.010 1.00 0.00 N ATOM 626 CA PRO A 49 4.028 4.133 -7.821 1.00 0.00 C ATOM 627 C PRO A 49 3.677 3.507 -9.170 1.00 0.00 C ATOM 628 O PRO A 49 2.864 4.047 -9.918 1.00 0.00 O ATOM 629 CB PRO A 49 4.877 5.378 -8.030 1.00 0.00 C ATOM 630 CG PRO A 49 6.273 4.853 -8.147 1.00 0.00 C ATOM 631 CD PRO A 49 6.331 3.581 -7.332 1.00 0.00 C ATOM 0 HA PRO A 49 3.062 4.294 -7.343 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.578 5.918 -8.928 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.781 6.071 -7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.526 4.656 -9.189 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.993 5.583 -7.776 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.778 2.763 -7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.930 3.710 -6.430 1.00 0.00 H new ATOM 639 N ALA A 50 4.290 2.376 -9.482 1.00 0.00 N ATOM 640 CA ALA A 50 4.037 1.710 -10.749 1.00 0.00 C ATOM 641 C ALA A 50 2.893 0.707 -10.632 1.00 0.00 C ATOM 642 O ALA A 50 1.790 0.948 -11.125 1.00 0.00 O ATOM 643 CB ALA A 50 5.299 1.028 -11.257 1.00 0.00 C ATOM 0 H ALA A 50 4.963 1.902 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 50 3.739 2.470 -11.471 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.089 0.535 -12.206 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.082 1.772 -11.400 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.631 0.287 -10.529 1.00 0.00 H new ATOM 649 N ASP A 51 3.146 -0.406 -9.952 1.00 0.00 N ATOM 650 CA ASP A 51 2.131 -1.445 -9.796 1.00 0.00 C ATOM 651 C ASP A 51 1.235 -1.186 -8.590 1.00 0.00 C ATOM 652 O ASP A 51 1.020 -2.068 -7.757 1.00 0.00 O ATOM 653 CB ASP A 51 2.777 -2.823 -9.680 1.00 0.00 C ATOM 654 CG ASP A 51 2.185 -3.818 -10.663 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.956 -4.041 -10.635 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.951 -4.379 -11.470 1.00 0.00 O ATOM 0 H ASP A 51 4.038 -0.612 -9.502 1.00 0.00 H new ATOM 0 HA ASP A 51 1.508 -1.419 -10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.849 -2.736 -9.855 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.649 -3.198 -8.665 1.00 0.00 H new ATOM 661 N PHE A 52 0.724 0.028 -8.499 1.00 0.00 N ATOM 662 CA PHE A 52 -0.170 0.404 -7.420 1.00 0.00 C ATOM 663 C PHE A 52 -1.477 0.893 -8.022 1.00 0.00 C ATOM 664 O PHE A 52 -1.535 1.196 -9.218 1.00 0.00 O ATOM 665 CB PHE A 52 0.474 1.468 -6.514 1.00 0.00 C ATOM 666 CG PHE A 52 0.010 2.880 -6.756 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.451 3.595 -7.857 1.00 0.00 C ATOM 668 CD2 PHE A 52 -0.867 3.491 -5.873 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.027 4.892 -8.074 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.295 4.787 -6.085 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.849 5.487 -7.189 1.00 0.00 C ATOM 0 H PHE A 52 0.915 0.776 -9.166 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.370 -0.461 -6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.271 1.209 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.555 1.430 -6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.134 3.133 -8.554 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.220 2.947 -5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.381 5.440 -8.935 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.977 5.252 -5.389 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.185 6.499 -7.360 1.00 0.00 H new ATOM 681 N SER A 53 -2.526 0.945 -7.222 1.00 0.00 N ATOM 682 CA SER A 53 -3.817 1.393 -7.706 1.00 0.00 C ATOM 683 C SER A 53 -4.562 2.155 -6.624 1.00 0.00 C ATOM 684 O SER A 53 -4.581 1.748 -5.461 1.00 0.00 O ATOM 685 CB SER A 53 -4.650 0.198 -8.173 1.00 0.00 C ATOM 686 OG SER A 53 -3.898 -0.635 -9.040 1.00 0.00 O ATOM 0 H SER A 53 -2.509 0.683 -6.236 1.00 0.00 H new ATOM 0 HA SER A 53 -3.652 2.063 -8.550 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.985 -0.377 -7.309 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.544 0.551 -8.687 1.00 0.00 H new ATOM 0 HG SER A 53 -4.450 -1.393 -9.325 1.00 0.00 H new ATOM 692 N SER A 54 -5.152 3.270 -7.014 1.00 0.00 N ATOM 693 CA SER A 54 -5.913 4.095 -6.093 1.00 0.00 C ATOM 694 C SER A 54 -7.388 3.714 -6.164 1.00 0.00 C ATOM 695 O SER A 54 -8.035 3.878 -7.198 1.00 0.00 O ATOM 696 CB SER A 54 -5.718 5.578 -6.434 1.00 0.00 C ATOM 697 OG SER A 54 -4.347 5.873 -6.669 1.00 0.00 O ATOM 0 H SER A 54 -5.118 3.627 -7.969 1.00 0.00 H new ATOM 0 HA SER A 54 -5.557 3.928 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.304 5.831 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.091 6.195 -5.616 1.00 0.00 H new ATOM 0 HG SER A 54 -3.917 6.124 -5.825 1.00 0.00 H new ATOM 703 N VAL A 55 -7.912 3.174 -5.076 1.00 0.00 N ATOM 704 CA VAL A 55 -9.305 2.775 -5.038 1.00 0.00 C ATOM 705 C VAL A 55 -10.111 3.764 -4.205 1.00 0.00 C ATOM 706 O VAL A 55 -9.669 4.216 -3.146 1.00 0.00 O ATOM 707 CB VAL A 55 -9.470 1.336 -4.490 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.023 1.243 -3.037 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.906 0.850 -4.656 1.00 0.00 C ATOM 0 H VAL A 55 -7.396 3.003 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.685 2.781 -6.060 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.825 0.681 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.151 0.221 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.973 1.525 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.625 1.917 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.995 -0.163 -4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.579 1.511 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.172 0.854 -5.713 1.00 0.00 H new ATOM 719 N THR A 56 -11.278 4.122 -4.695 1.00 0.00 N ATOM 720 CA THR A 56 -12.127 5.056 -3.989 1.00 0.00 C ATOM 721 C THR A 56 -13.161 4.310 -3.153 1.00 0.00 C ATOM 722 O THR A 56 -13.633 3.234 -3.535 1.00 0.00 O ATOM 723 CB THR A 56 -12.815 6.043 -4.970 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.144 7.264 -4.292 1.00 0.00 O ATOM 725 CG2 THR A 56 -14.076 5.445 -5.589 1.00 0.00 C ATOM 0 H THR A 56 -11.660 3.781 -5.577 1.00 0.00 H new ATOM 0 HA THR A 56 -11.500 5.642 -3.318 1.00 0.00 H new ATOM 0 HB THR A 56 -12.110 6.246 -5.776 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.832 7.217 -3.364 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.526 6.169 -6.269 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.817 4.541 -6.141 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.786 5.198 -4.800 1.00 0.00 H new ATOM 733 N ALA A 57 -13.464 4.856 -1.988 1.00 0.00 N ATOM 734 CA ALA A 57 -14.448 4.260 -1.106 1.00 0.00 C ATOM 735 C ALA A 57 -15.841 4.556 -1.634 1.00 0.00 C ATOM 736 O ALA A 57 -16.213 5.721 -1.799 1.00 0.00 O ATOM 737 CB ALA A 57 -14.283 4.783 0.312 1.00 0.00 C ATOM 0 H ALA A 57 -13.041 5.713 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.300 3.180 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.031 4.324 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.286 4.536 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.414 5.865 0.318 1.00 0.00 H new ATOM 743 N ASP A 58 -16.602 3.503 -1.901 1.00 0.00 N ATOM 744 CA ASP A 58 -17.952 3.644 -2.434 1.00 0.00 C ATOM 745 C ASP A 58 -18.878 4.306 -1.424 1.00 0.00 C ATOM 746 O ASP A 58 -18.484 4.577 -0.287 1.00 0.00 O ATOM 747 CB ASP A 58 -18.520 2.284 -2.866 1.00 0.00 C ATOM 748 CG ASP A 58 -18.313 1.185 -1.838 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.583 1.416 -0.641 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.879 0.075 -2.227 1.00 0.00 O ATOM 0 H ASP A 58 -16.306 2.537 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.890 4.287 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.587 2.391 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.052 1.986 -3.804 1.00 0.00 H new ATOM 755 N ALA A 59 -20.113 4.555 -1.842 1.00 0.00 N ATOM 756 CA ALA A 59 -21.113 5.192 -0.987 1.00 0.00 C ATOM 757 C ALA A 59 -21.446 4.327 0.226 1.00 0.00 C ATOM 758 O ALA A 59 -22.062 4.792 1.187 1.00 0.00 O ATOM 759 CB ALA A 59 -22.372 5.484 -1.786 1.00 0.00 C ATOM 0 H ALA A 59 -20.450 4.324 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.694 6.129 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.111 5.958 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.131 6.151 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.778 4.552 -2.178 1.00 0.00 H new ATOM 765 N ASN A 60 -21.029 3.067 0.174 1.00 0.00 N ATOM 766 CA ASN A 60 -21.265 2.132 1.266 1.00 0.00 C ATOM 767 C ASN A 60 -20.176 2.292 2.315 1.00 0.00 C ATOM 768 O ASN A 60 -20.339 1.894 3.468 1.00 0.00 O ATOM 769 CB ASN A 60 -21.285 0.687 0.756 1.00 0.00 C ATOM 770 CG ASN A 60 -22.399 0.427 -0.242 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.484 0.999 -0.147 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.138 -0.437 -1.209 1.00 0.00 N ATOM 0 H ASN A 60 -20.523 2.669 -0.617 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.237 2.352 1.707 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.326 0.458 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.398 0.010 1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.849 -0.649 -1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.226 -0.891 -1.254 1.00 0.00 H new ATOM 779 N GLY A 61 -19.061 2.886 1.900 1.00 0.00 N ATOM 780 CA GLY A 61 -17.944 3.104 2.797 1.00 0.00 C ATOM 781 C GLY A 61 -16.932 1.980 2.737 1.00 0.00 C ATOM 782 O GLY A 61 -16.207 1.734 3.703 1.00 0.00 O ATOM 0 H GLY A 61 -18.912 3.223 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.455 4.044 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.314 3.203 3.817 1.00 0.00 H new ATOM 786 N SER A 62 -16.875 1.304 1.600 1.00 0.00 N ATOM 787 CA SER A 62 -15.954 0.194 1.416 1.00 0.00 C ATOM 788 C SER A 62 -15.052 0.417 0.202 1.00 0.00 C ATOM 789 O SER A 62 -15.436 1.087 -0.761 1.00 0.00 O ATOM 790 CB SER A 62 -16.743 -1.112 1.274 1.00 0.00 C ATOM 791 OG SER A 62 -18.064 -0.865 0.812 1.00 0.00 O ATOM 0 H SER A 62 -17.458 1.506 0.788 1.00 0.00 H new ATOM 0 HA SER A 62 -15.310 0.128 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.230 -1.777 0.579 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.781 -1.624 2.236 1.00 0.00 H new ATOM 0 HG SER A 62 -18.056 -0.110 0.187 1.00 0.00 H new ATOM 797 N ALA A 63 -13.845 -0.120 0.269 1.00 0.00 N ATOM 798 CA ALA A 63 -12.885 -0.002 -0.815 1.00 0.00 C ATOM 799 C ALA A 63 -12.092 -1.296 -0.961 1.00 0.00 C ATOM 800 O ALA A 63 -11.378 -1.700 -0.044 1.00 0.00 O ATOM 801 CB ALA A 63 -11.951 1.172 -0.567 1.00 0.00 C ATOM 0 H ALA A 63 -13.504 -0.648 1.073 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.426 0.178 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.237 1.248 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.532 2.092 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.414 1.018 0.369 1.00 0.00 H new ATOM 807 N SER A 64 -12.231 -1.944 -2.104 1.00 0.00 N ATOM 808 CA SER A 64 -11.538 -3.193 -2.368 1.00 0.00 C ATOM 809 C SER A 64 -10.697 -3.072 -3.635 1.00 0.00 C ATOM 810 O SER A 64 -11.155 -2.540 -4.646 1.00 0.00 O ATOM 811 CB SER A 64 -12.555 -4.329 -2.512 1.00 0.00 C ATOM 812 OG SER A 64 -11.928 -5.600 -2.448 1.00 0.00 O ATOM 0 H SER A 64 -12.823 -1.623 -2.870 1.00 0.00 H new ATOM 0 HA SER A 64 -10.874 -3.415 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.303 -4.251 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.081 -4.229 -3.461 1.00 0.00 H new ATOM 0 HG SER A 64 -12.604 -6.303 -2.541 1.00 0.00 H new ATOM 818 N THR A 65 -9.463 -3.544 -3.570 1.00 0.00 N ATOM 819 CA THR A 65 -8.568 -3.496 -4.712 1.00 0.00 C ATOM 820 C THR A 65 -7.538 -4.624 -4.624 1.00 0.00 C ATOM 821 O THR A 65 -7.462 -5.322 -3.609 1.00 0.00 O ATOM 822 CB THR A 65 -7.863 -2.121 -4.809 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.221 -1.979 -6.082 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.843 -1.938 -3.689 1.00 0.00 C ATOM 0 H THR A 65 -9.058 -3.966 -2.734 1.00 0.00 H new ATOM 0 HA THR A 65 -9.161 -3.632 -5.617 1.00 0.00 H new ATOM 0 HB THR A 65 -8.626 -1.349 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.781 -1.105 -6.131 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.366 -0.963 -3.787 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.347 -2.001 -2.724 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.086 -2.720 -3.755 1.00 0.00 H new ATOM 832 N SER A 66 -6.770 -4.811 -5.688 1.00 0.00 N ATOM 833 CA SER A 66 -5.754 -5.850 -5.734 1.00 0.00 C ATOM 834 C SER A 66 -4.445 -5.288 -6.279 1.00 0.00 C ATOM 835 O SER A 66 -4.425 -4.633 -7.322 1.00 0.00 O ATOM 836 CB SER A 66 -6.241 -7.007 -6.608 1.00 0.00 C ATOM 837 OG SER A 66 -7.548 -7.413 -6.223 1.00 0.00 O ATOM 0 H SER A 66 -6.833 -4.250 -6.538 1.00 0.00 H new ATOM 0 HA SER A 66 -5.575 -6.218 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.243 -6.703 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.553 -7.848 -6.522 1.00 0.00 H new ATOM 0 HG SER A 66 -7.842 -8.153 -6.794 1.00 0.00 H new ATOM 843 N LEU A 67 -3.356 -5.531 -5.563 1.00 0.00 N ATOM 844 CA LEU A 67 -2.050 -5.039 -5.972 1.00 0.00 C ATOM 845 C LEU A 67 -1.114 -6.197 -6.271 1.00 0.00 C ATOM 846 O LEU A 67 -1.146 -7.225 -5.589 1.00 0.00 O ATOM 847 CB LEU A 67 -1.428 -4.160 -4.878 1.00 0.00 C ATOM 848 CG LEU A 67 -2.120 -2.817 -4.603 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.596 -2.172 -5.895 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.282 -3.002 -3.637 1.00 0.00 C ATOM 0 H LEU A 67 -3.352 -6.067 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.190 -4.442 -6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.411 -4.731 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.391 -3.961 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.390 -2.150 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.082 -1.223 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.743 -1.997 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.305 -2.834 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.760 -2.040 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.008 -3.691 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.911 -3.408 -2.696 1.00 0.00 H new ATOM 862 N THR A 68 -0.288 -6.030 -7.288 1.00 0.00 N ATOM 863 CA THR A 68 0.671 -7.050 -7.671 1.00 0.00 C ATOM 864 C THR A 68 2.023 -6.746 -7.035 1.00 0.00 C ATOM 865 O THR A 68 2.737 -5.847 -7.478 1.00 0.00 O ATOM 866 CB THR A 68 0.817 -7.119 -9.199 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.147 -6.255 -9.819 1.00 0.00 O ATOM 868 CG2 THR A 68 0.624 -8.544 -9.698 1.00 0.00 C ATOM 0 H THR A 68 -0.263 -5.191 -7.867 1.00 0.00 H new ATOM 0 HA THR A 68 0.309 -8.016 -7.318 1.00 0.00 H new ATOM 0 HB THR A 68 1.823 -6.793 -9.463 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.317 -5.535 -10.294 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.732 -8.568 -10.782 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.373 -9.193 -9.245 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.372 -8.893 -9.425 1.00 0.00 H new ATOM 876 N VAL A 69 2.364 -7.488 -5.986 1.00 0.00 N ATOM 877 CA VAL A 69 3.618 -7.275 -5.277 1.00 0.00 C ATOM 878 C VAL A 69 4.820 -7.730 -6.106 1.00 0.00 C ATOM 879 O VAL A 69 4.874 -8.861 -6.594 1.00 0.00 O ATOM 880 CB VAL A 69 3.622 -7.982 -3.900 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.369 -9.479 -4.041 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.930 -7.724 -3.171 1.00 0.00 C ATOM 0 H VAL A 69 1.789 -8.241 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 69 3.705 -6.201 -5.111 1.00 0.00 H new ATOM 0 HB VAL A 69 2.807 -7.564 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.379 -9.944 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.398 -9.641 -4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.149 -9.923 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.914 -8.229 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.760 -8.105 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.056 -6.652 -3.018 1.00 0.00 H new ATOM 892 N ARG A 70 5.774 -6.828 -6.274 1.00 0.00 N ATOM 893 CA ARG A 70 6.984 -7.112 -7.029 1.00 0.00 C ATOM 894 C ARG A 70 8.166 -7.250 -6.076 1.00 0.00 C ATOM 895 O ARG A 70 8.091 -6.814 -4.924 1.00 0.00 O ATOM 896 CB ARG A 70 7.254 -5.988 -8.034 1.00 0.00 C ATOM 897 CG ARG A 70 6.063 -5.651 -8.918 1.00 0.00 C ATOM 898 CD ARG A 70 5.623 -6.849 -9.739 1.00 0.00 C ATOM 899 NE ARG A 70 4.520 -6.522 -10.641 1.00 0.00 N ATOM 900 CZ ARG A 70 3.916 -7.405 -11.431 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.290 -8.681 -11.427 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.925 -7.014 -12.216 1.00 0.00 N ATOM 0 H ARG A 70 5.732 -5.883 -5.893 1.00 0.00 H new ATOM 0 HA ARG A 70 6.851 -8.047 -7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.555 -5.093 -7.490 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.094 -6.274 -8.667 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.234 -5.309 -8.298 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.324 -4.828 -9.584 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.468 -7.220 -10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.318 -7.654 -9.070 1.00 0.00 H new ATOM 0 HE ARG A 70 4.193 -5.556 -10.666 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.045 -8.989 -10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.821 -9.352 -12.036 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.627 -6.038 -12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.459 -7.688 -12.823 1.00 0.00 H new ATOM 916 N ARG A 71 9.254 -7.843 -6.551 1.00 0.00 N ATOM 917 CA ARG A 71 10.438 -8.026 -5.723 1.00 0.00 C ATOM 918 C ARG A 71 11.257 -6.738 -5.687 1.00 0.00 C ATOM 919 O ARG A 71 11.971 -6.463 -4.724 1.00 0.00 O ATOM 920 CB ARG A 71 11.291 -9.178 -6.253 1.00 0.00 C ATOM 921 CG ARG A 71 12.174 -9.821 -5.191 1.00 0.00 C ATOM 922 CD ARG A 71 11.382 -10.747 -4.283 1.00 0.00 C ATOM 923 NE ARG A 71 10.927 -11.941 -4.991 1.00 0.00 N ATOM 924 CZ ARG A 71 10.669 -13.109 -4.404 1.00 0.00 C ATOM 925 NH1 ARG A 71 10.832 -13.253 -3.099 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.254 -14.136 -5.132 1.00 0.00 N ATOM 0 H ARG A 71 9.341 -8.204 -7.501 1.00 0.00 H new ATOM 0 HA ARG A 71 10.118 -8.271 -4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.636 -9.938 -6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.921 -8.810 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.973 -10.382 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.648 -9.043 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.000 -11.041 -3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.521 -10.213 -3.880 1.00 0.00 H new ATOM 0 HE ARG A 71 10.798 -11.876 -6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.157 -12.467 -2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.633 -14.150 -2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.133 -14.031 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.056 -15.031 -4.685 1.00 0.00 H new ATOM 940 N SER A 72 11.158 -5.960 -6.753 1.00 0.00 N ATOM 941 CA SER A 72 11.855 -4.686 -6.848 1.00 0.00 C ATOM 942 C SER A 72 10.855 -3.590 -7.177 1.00 0.00 C ATOM 943 O SER A 72 10.073 -3.725 -8.120 1.00 0.00 O ATOM 944 CB SER A 72 12.937 -4.746 -7.928 1.00 0.00 C ATOM 945 OG SER A 72 13.208 -6.084 -8.314 1.00 0.00 O ATOM 0 H SER A 72 10.596 -6.191 -7.572 1.00 0.00 H new ATOM 0 HA SER A 72 12.334 -4.470 -5.893 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.617 -4.172 -8.798 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.850 -4.280 -7.557 1.00 0.00 H new ATOM 0 HG SER A 72 13.902 -6.091 -9.006 1.00 0.00 H new ATOM 951 N PHE A 73 10.863 -2.515 -6.398 1.00 0.00 N ATOM 952 CA PHE A 73 9.935 -1.419 -6.630 1.00 0.00 C ATOM 953 C PHE A 73 10.562 -0.074 -6.293 1.00 0.00 C ATOM 954 O PHE A 73 11.520 0.010 -5.519 1.00 0.00 O ATOM 955 CB PHE A 73 8.651 -1.622 -5.812 1.00 0.00 C ATOM 956 CG PHE A 73 8.806 -1.339 -4.340 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.303 -2.306 -3.482 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.446 -0.106 -3.816 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.444 -2.047 -2.134 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.585 0.157 -2.468 1.00 0.00 C ATOM 961 CZ PHE A 73 9.083 -0.815 -1.627 1.00 0.00 C ATOM 0 H PHE A 73 11.495 -2.381 -5.609 1.00 0.00 H new ATOM 0 HA PHE A 73 9.686 -1.417 -7.691 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.871 -0.976 -6.215 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.311 -2.650 -5.939 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.583 -3.273 -3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.052 0.657 -4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.837 -2.808 -1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.304 1.122 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.191 -0.613 -0.572 1.00 0.00 H new ATOM 971 N GLU A 74 10.014 0.976 -6.879 1.00 0.00 N ATOM 972 CA GLU A 74 10.498 2.322 -6.641 1.00 0.00 C ATOM 973 C GLU A 74 9.779 2.923 -5.441 1.00 0.00 C ATOM 974 O GLU A 74 8.554 2.958 -5.401 1.00 0.00 O ATOM 975 CB GLU A 74 10.278 3.203 -7.878 1.00 0.00 C ATOM 976 CG GLU A 74 10.158 2.417 -9.177 1.00 0.00 C ATOM 977 CD GLU A 74 8.720 2.102 -9.546 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.151 1.143 -8.976 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.156 2.814 -10.408 1.00 0.00 O ATOM 0 H GLU A 74 9.228 0.920 -7.527 1.00 0.00 H new ATOM 0 HA GLU A 74 11.568 2.276 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.373 3.793 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.107 3.906 -7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.619 2.987 -9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.717 1.486 -9.085 1.00 0.00 H new ATOM 986 N GLY A 75 10.536 3.378 -4.458 1.00 0.00 N ATOM 987 CA GLY A 75 9.930 3.971 -3.287 1.00 0.00 C ATOM 988 C GLY A 75 9.467 5.389 -3.549 1.00 0.00 C ATOM 989 O GLY A 75 10.271 6.251 -3.919 1.00 0.00 O ATOM 0 H GLY A 75 11.556 3.348 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.081 3.364 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.647 3.969 -2.466 1.00 0.00 H new ATOM 993 N PHE A 76 8.179 5.634 -3.371 1.00 0.00 N ATOM 994 CA PHE A 76 7.616 6.953 -3.598 1.00 0.00 C ATOM 995 C PHE A 76 6.811 7.398 -2.395 1.00 0.00 C ATOM 996 O PHE A 76 6.213 6.576 -1.697 1.00 0.00 O ATOM 997 CB PHE A 76 6.723 6.947 -4.838 1.00 0.00 C ATOM 998 CG PHE A 76 7.377 7.513 -6.069 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.482 6.895 -6.631 1.00 0.00 C ATOM 1000 CD2 PHE A 76 6.880 8.657 -6.668 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.080 7.409 -7.764 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.472 9.176 -7.804 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.574 8.552 -8.354 1.00 0.00 C ATOM 0 H PHE A 76 7.502 4.933 -3.069 1.00 0.00 H new ATOM 0 HA PHE A 76 8.438 7.651 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.412 5.923 -5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.819 7.518 -4.625 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.881 6.000 -6.177 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.019 9.151 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.943 6.918 -8.189 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.073 10.069 -8.261 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.039 8.955 -9.242 1.00 0.00 H new ATOM 1013 N LEU A 77 6.797 8.696 -2.159 1.00 0.00 N ATOM 1014 CA LEU A 77 6.063 9.251 -1.042 1.00 0.00 C ATOM 1015 C LEU A 77 4.621 9.522 -1.461 1.00 0.00 C ATOM 1016 O LEU A 77 4.342 9.715 -2.647 1.00 0.00 O ATOM 1017 CB LEU A 77 6.735 10.535 -0.544 1.00 0.00 C ATOM 1018 CG LEU A 77 8.258 10.460 -0.363 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.781 11.719 0.305 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.654 9.237 0.446 1.00 0.00 C ATOM 0 H LEU A 77 7.287 9.386 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 77 6.062 8.533 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.510 11.338 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.287 10.812 0.410 1.00 0.00 H new ATOM 0 HG LEU A 77 8.706 10.376 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.862 11.646 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.542 12.585 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.315 11.832 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.738 9.210 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.189 9.286 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.320 8.336 -0.069 1.00 0.00 H new ATOM 1032 N PHE A 78 3.714 9.564 -0.488 1.00 0.00 N ATOM 1033 CA PHE A 78 2.288 9.776 -0.756 1.00 0.00 C ATOM 1034 C PHE A 78 1.981 11.155 -1.356 1.00 0.00 C ATOM 1035 O PHE A 78 0.857 11.405 -1.796 1.00 0.00 O ATOM 1036 CB PHE A 78 1.462 9.559 0.522 1.00 0.00 C ATOM 1037 CG PHE A 78 2.013 10.215 1.764 1.00 0.00 C ATOM 1038 CD1 PHE A 78 2.467 11.525 1.744 1.00 0.00 C ATOM 1039 CD2 PHE A 78 2.067 9.514 2.959 1.00 0.00 C ATOM 1040 CE1 PHE A 78 2.965 12.119 2.886 1.00 0.00 C ATOM 1041 CE2 PHE A 78 2.560 10.105 4.104 1.00 0.00 C ATOM 1042 CZ PHE A 78 3.010 11.408 4.070 1.00 0.00 C ATOM 0 H PHE A 78 3.940 9.454 0.500 1.00 0.00 H new ATOM 0 HA PHE A 78 2.005 9.038 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.453 9.933 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.378 8.487 0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.430 12.088 0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.719 8.492 2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.319 13.139 2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.594 9.547 5.028 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.396 11.871 4.966 1.00 0.00 H new ATOM 1052 N ASP A 79 2.965 12.039 -1.384 1.00 0.00 N ATOM 1053 CA ASP A 79 2.761 13.373 -1.937 1.00 0.00 C ATOM 1054 C ASP A 79 3.262 13.451 -3.377 1.00 0.00 C ATOM 1055 O ASP A 79 3.163 14.497 -4.022 1.00 0.00 O ATOM 1056 CB ASP A 79 3.443 14.440 -1.074 1.00 0.00 C ATOM 1057 CG ASP A 79 4.945 14.472 -1.254 1.00 0.00 C ATOM 1058 OD1 ASP A 79 5.587 13.414 -1.116 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.488 15.558 -1.531 1.00 0.00 O ATOM 0 H ASP A 79 3.907 11.862 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 79 1.689 13.569 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.032 15.418 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.212 14.254 -0.025 1.00 0.00 H new ATOM 1064 N GLY A 80 3.797 12.343 -3.876 1.00 0.00 N ATOM 1065 CA GLY A 80 4.279 12.298 -5.245 1.00 0.00 C ATOM 1066 C GLY A 80 5.777 12.453 -5.367 1.00 0.00 C ATOM 1067 O GLY A 80 6.327 12.364 -6.467 1.00 0.00 O ATOM 0 H GLY A 80 3.906 11.472 -3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.983 11.350 -5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.793 13.088 -5.818 1.00 0.00 H new ATOM 1071 N THR A 81 6.446 12.681 -4.247 1.00 0.00 N ATOM 1072 CA THR A 81 7.890 12.853 -4.253 1.00 0.00 C ATOM 1073 C THR A 81 8.614 11.505 -4.282 1.00 0.00 C ATOM 1074 O THR A 81 8.200 10.549 -3.626 1.00 0.00 O ATOM 1075 CB THR A 81 8.346 13.672 -3.028 1.00 0.00 C ATOM 1076 OG1 THR A 81 7.611 14.898 -2.974 1.00 0.00 O ATOM 1077 CG2 THR A 81 9.836 13.979 -3.083 1.00 0.00 C ATOM 0 H THR A 81 6.014 12.751 -3.326 1.00 0.00 H new ATOM 0 HA THR A 81 8.151 13.398 -5.160 1.00 0.00 H new ATOM 0 HB THR A 81 8.155 13.077 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.122 14.949 -2.126 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.121 14.557 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.399 13.046 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.056 14.554 -3.982 1.00 0.00 H new ATOM 1085 N ARG A 82 9.686 11.433 -5.065 1.00 0.00 N ATOM 1086 CA ARG A 82 10.470 10.208 -5.180 1.00 0.00 C ATOM 1087 C ARG A 82 11.555 10.159 -4.110 1.00 0.00 C ATOM 1088 O ARG A 82 11.816 11.154 -3.434 1.00 0.00 O ATOM 1089 CB ARG A 82 11.108 10.115 -6.566 1.00 0.00 C ATOM 1090 CG ARG A 82 11.985 11.303 -6.913 1.00 0.00 C ATOM 1091 CD ARG A 82 12.633 11.144 -8.277 1.00 0.00 C ATOM 1092 NE ARG A 82 13.501 12.275 -8.601 1.00 0.00 N ATOM 1093 CZ ARG A 82 13.522 12.880 -9.790 1.00 0.00 C ATOM 1094 NH1 ARG A 82 12.735 12.455 -10.769 1.00 0.00 N ATOM 1095 NH2 ARG A 82 14.341 13.902 -9.997 1.00 0.00 N ATOM 0 H ARG A 82 10.032 12.209 -5.630 1.00 0.00 H new ATOM 0 HA ARG A 82 9.799 9.361 -5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.705 9.205 -6.621 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.320 10.025 -7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.386 12.214 -6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.759 11.418 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.214 10.222 -8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.859 11.050 -9.039 1.00 0.00 H new ATOM 0 HE ARG A 82 14.128 12.622 -7.875 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.111 11.663 -10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.754 12.920 -11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.954 14.224 -9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.358 14.366 -10.905 1.00 0.00 H new ATOM 1109 N TRP A 83 12.194 9.010 -3.962 1.00 0.00 N ATOM 1110 CA TRP A 83 13.244 8.856 -2.970 1.00 0.00 C ATOM 1111 C TRP A 83 14.318 7.886 -3.460 1.00 0.00 C ATOM 1112 O TRP A 83 15.466 8.279 -3.682 1.00 0.00 O ATOM 1113 CB TRP A 83 12.658 8.365 -1.644 1.00 0.00 C ATOM 1114 CG TRP A 83 13.396 8.881 -0.451 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.376 8.241 0.244 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.212 10.147 0.187 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.817 9.033 1.273 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.117 10.207 1.261 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.370 11.236 -0.045 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.204 11.311 2.103 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.455 12.334 0.789 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.367 12.362 1.853 1.00 0.00 C ATOM 0 H TRP A 83 12.005 8.174 -4.514 1.00 0.00 H new ATOM 0 HA TRP A 83 13.706 9.831 -2.813 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.614 8.672 -1.579 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.671 7.275 -1.629 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.751 7.254 0.018 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.549 8.786 1.939 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.664 11.220 -0.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.906 11.337 2.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.810 13.183 0.619 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.409 13.234 2.489 1.00 0.00 H new ATOM 1133 N GLY A 84 13.940 6.629 -3.636 1.00 0.00 N ATOM 1134 CA GLY A 84 14.883 5.634 -4.100 1.00 0.00 C ATOM 1135 C GLY A 84 14.239 4.282 -4.311 1.00 0.00 C ATOM 1136 O GLY A 84 13.135 4.032 -3.833 1.00 0.00 O ATOM 0 H GLY A 84 12.997 6.280 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.330 5.970 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.692 5.539 -3.376 1.00 0.00 H new ATOM 1140 N THR A 85 14.922 3.415 -5.039 1.00 0.00 N ATOM 1141 CA THR A 85 14.422 2.077 -5.312 1.00 0.00 C ATOM 1142 C THR A 85 14.677 1.171 -4.110 1.00 0.00 C ATOM 1143 O THR A 85 15.809 1.067 -3.638 1.00 0.00 O ATOM 1144 CB THR A 85 15.103 1.491 -6.561 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.365 2.543 -7.498 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.234 0.431 -7.216 1.00 0.00 C ATOM 0 H THR A 85 15.832 3.616 -5.455 1.00 0.00 H new ATOM 0 HA THR A 85 13.349 2.138 -5.496 1.00 0.00 H new ATOM 0 HB THR A 85 16.038 1.022 -6.254 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.800 2.172 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.743 0.036 -8.096 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.052 -0.378 -6.509 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.283 0.873 -7.514 1.00 0.00 H new ATOM 1154 N VAL A 86 13.631 0.519 -3.618 1.00 0.00 N ATOM 1155 CA VAL A 86 13.754 -0.353 -2.457 1.00 0.00 C ATOM 1156 C VAL A 86 13.751 -1.822 -2.867 1.00 0.00 C ATOM 1157 O VAL A 86 12.970 -2.236 -3.726 1.00 0.00 O ATOM 1158 CB VAL A 86 12.616 -0.107 -1.441 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.921 -0.773 -0.109 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.377 1.383 -1.249 1.00 0.00 C ATOM 0 H VAL A 86 12.689 0.577 -4.005 1.00 0.00 H new ATOM 0 HA VAL A 86 14.707 -0.115 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 86 11.706 -0.553 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.104 -0.584 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.031 -1.847 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.846 -0.366 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.572 1.533 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.288 1.853 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.100 1.833 -2.202 1.00 0.00 H new ATOM 1170 N ASP A 87 14.634 -2.599 -2.251 1.00 0.00 N ATOM 1171 CA ASP A 87 14.737 -4.022 -2.537 1.00 0.00 C ATOM 1172 C ASP A 87 13.824 -4.812 -1.614 1.00 0.00 C ATOM 1173 O ASP A 87 13.869 -4.645 -0.394 1.00 0.00 O ATOM 1174 CB ASP A 87 16.183 -4.509 -2.366 1.00 0.00 C ATOM 1175 CG ASP A 87 16.308 -6.011 -2.550 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.436 -6.463 -3.706 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.279 -6.751 -1.544 1.00 0.00 O ATOM 0 H ASP A 87 15.291 -2.264 -1.547 1.00 0.00 H new ATOM 0 HA ASP A 87 14.432 -4.181 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.823 -4.002 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.542 -4.235 -1.374 1.00 0.00 H new ATOM 1182 N CYS A 88 12.992 -5.658 -2.195 1.00 0.00 N ATOM 1183 CA CYS A 88 12.079 -6.477 -1.417 1.00 0.00 C ATOM 1184 C CYS A 88 12.509 -7.939 -1.499 1.00 0.00 C ATOM 1185 O CYS A 88 11.701 -8.852 -1.330 1.00 0.00 O ATOM 1186 CB CYS A 88 10.645 -6.311 -1.926 1.00 0.00 C ATOM 1187 SG CYS A 88 9.357 -6.567 -0.657 1.00 0.00 S ATOM 0 H CYS A 88 12.930 -5.796 -3.204 1.00 0.00 H new ATOM 0 HA CYS A 88 12.109 -6.155 -0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.534 -5.309 -2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.479 -7.015 -2.742 1.00 0.00 H new ATOM 1192 N THR A 89 13.789 -8.152 -1.781 1.00 0.00 N ATOM 1193 CA THR A 89 14.339 -9.492 -1.875 1.00 0.00 C ATOM 1194 C THR A 89 14.895 -9.918 -0.524 1.00 0.00 C ATOM 1195 O THR A 89 14.447 -10.905 0.061 1.00 0.00 O ATOM 1196 CB THR A 89 15.454 -9.571 -2.940 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.140 -8.705 -4.040 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.624 -10.995 -3.447 1.00 0.00 C ATOM 0 H THR A 89 14.466 -7.407 -1.949 1.00 0.00 H new ATOM 0 HA THR A 89 13.534 -10.164 -2.173 1.00 0.00 H new ATOM 0 HB THR A 89 16.389 -9.254 -2.478 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.753 -7.940 -4.040 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.415 -11.022 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.889 -11.648 -2.615 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.690 -11.336 -3.893 1.00 0.00 H new ATOM 1206 N THR A 90 15.853 -9.152 -0.017 1.00 0.00 N ATOM 1207 CA THR A 90 16.455 -9.450 1.273 1.00 0.00 C ATOM 1208 C THR A 90 15.681 -8.745 2.388 1.00 0.00 C ATOM 1209 O THR A 90 15.831 -9.054 3.570 1.00 0.00 O ATOM 1210 CB THR A 90 17.945 -9.033 1.309 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.633 -9.732 2.356 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.099 -7.528 1.508 1.00 0.00 C ATOM 0 H THR A 90 16.228 -8.323 -0.479 1.00 0.00 H new ATOM 0 HA THR A 90 16.406 -10.528 1.428 1.00 0.00 H new ATOM 0 HB THR A 90 18.384 -9.297 0.347 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.057 -9.786 3.147 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.158 -7.270 1.528 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.613 -7.001 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.636 -7.236 2.451 1.00 0.00 H new ATOM 1220 N ALA A 91 14.837 -7.804 1.992 1.00 0.00 N ATOM 1221 CA ALA A 91 14.031 -7.049 2.933 1.00 0.00 C ATOM 1222 C ALA A 91 12.587 -7.524 2.889 1.00 0.00 C ATOM 1223 O ALA A 91 12.274 -8.519 2.234 1.00 0.00 O ATOM 1224 CB ALA A 91 14.121 -5.565 2.616 1.00 0.00 C ATOM 0 H ALA A 91 14.694 -7.545 1.016 1.00 0.00 H new ATOM 0 HA ALA A 91 14.412 -7.212 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.514 -5.004 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.159 -5.240 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.755 -5.386 1.605 1.00 0.00 H new ATOM 1230 N ALA A 92 11.716 -6.822 3.589 1.00 0.00 N ATOM 1231 CA ALA A 92 10.309 -7.173 3.624 1.00 0.00 C ATOM 1232 C ALA A 92 9.452 -5.939 3.390 1.00 0.00 C ATOM 1233 O ALA A 92 9.767 -4.853 3.878 1.00 0.00 O ATOM 1234 CB ALA A 92 9.955 -7.830 4.951 1.00 0.00 C ATOM 0 H ALA A 92 11.960 -6.001 4.144 1.00 0.00 H new ATOM 0 HA ALA A 92 10.109 -7.888 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.896 -8.086 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.548 -8.735 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.167 -7.139 5.767 1.00 0.00 H new ATOM 1240 N CYS A 93 8.382 -6.105 2.631 1.00 0.00 N ATOM 1241 CA CYS A 93 7.486 -5.005 2.327 1.00 0.00 C ATOM 1242 C CYS A 93 6.144 -5.202 3.017 1.00 0.00 C ATOM 1243 O CYS A 93 5.760 -6.326 3.342 1.00 0.00 O ATOM 1244 CB CYS A 93 7.281 -4.901 0.817 1.00 0.00 C ATOM 1245 SG CYS A 93 8.822 -4.681 -0.128 1.00 0.00 S ATOM 0 H CYS A 93 8.113 -6.996 2.213 1.00 0.00 H new ATOM 0 HA CYS A 93 7.935 -4.082 2.694 1.00 0.00 H new ATOM 0 HB2 CYS A 93 6.778 -5.802 0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.616 -4.063 0.608 1.00 0.00 H new ATOM 1250 N GLN A 94 5.436 -4.108 3.244 1.00 0.00 N ATOM 1251 CA GLN A 94 4.135 -4.167 3.881 1.00 0.00 C ATOM 1252 C GLN A 94 3.109 -3.401 3.057 1.00 0.00 C ATOM 1253 O GLN A 94 3.460 -2.552 2.235 1.00 0.00 O ATOM 1254 CB GLN A 94 4.205 -3.606 5.307 1.00 0.00 C ATOM 1255 CG GLN A 94 4.391 -2.100 5.377 1.00 0.00 C ATOM 1256 CD GLN A 94 4.161 -1.559 6.772 1.00 0.00 C ATOM 1257 OE1 GLN A 94 5.089 -1.450 7.575 1.00 0.00 O ATOM 1258 NE2 GLN A 94 2.920 -1.216 7.075 1.00 0.00 N ATOM 0 H GLN A 94 5.743 -3.168 2.995 1.00 0.00 H new ATOM 0 HA GLN A 94 3.826 -5.211 3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.289 -3.872 5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.029 -4.087 5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.400 -1.845 5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.701 -1.618 4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.178 -1.321 6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.705 -0.846 8.001 1.00 0.00 H new ATOM 1267 N VAL A 95 1.843 -3.716 3.267 1.00 0.00 N ATOM 1268 CA VAL A 95 0.768 -3.049 2.551 1.00 0.00 C ATOM 1269 C VAL A 95 0.501 -1.682 3.174 1.00 0.00 C ATOM 1270 O VAL A 95 0.227 -1.588 4.369 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.530 -3.886 2.576 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.595 -3.248 1.697 1.00 0.00 C ATOM 1273 CG2 VAL A 95 -0.251 -5.319 2.140 1.00 0.00 C ATOM 0 H VAL A 95 1.533 -4.429 3.927 1.00 0.00 H new ATOM 0 HA VAL A 95 1.080 -2.930 1.513 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.906 -3.910 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.502 -3.852 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.815 -2.245 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.233 -3.189 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.177 -5.893 2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.150 -5.319 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.474 -5.771 2.817 1.00 0.00 H new ATOM 1283 N GLY A 96 0.609 -0.631 2.376 1.00 0.00 N ATOM 1284 CA GLY A 96 0.373 0.703 2.884 1.00 0.00 C ATOM 1285 C GLY A 96 -0.979 1.244 2.472 1.00 0.00 C ATOM 1286 O GLY A 96 -1.256 1.396 1.283 1.00 0.00 O ATOM 0 H GLY A 96 0.855 -0.678 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.441 0.692 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.155 1.371 2.522 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.817 1.532 3.457 1.00 0.00 N ATOM 1291 CA LEU A 97 -3.150 2.057 3.209 1.00 0.00 C ATOM 1292 C LEU A 97 -3.214 3.520 3.618 1.00 0.00 C ATOM 1293 O LEU A 97 -3.496 3.839 4.775 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.201 1.256 3.990 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.364 -0.211 3.579 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.349 -1.099 4.290 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -5.779 -0.677 3.879 1.00 0.00 C ATOM 0 H LEU A 97 -1.593 1.409 4.445 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.363 1.968 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.943 1.290 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.165 1.753 3.880 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.181 -0.290 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.489 -2.134 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.340 -0.776 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.491 -1.023 5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.888 -1.721 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.976 -0.579 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.489 -0.066 3.321 1.00 0.00 H new ATOM 1309 N SER A 98 -2.935 4.409 2.681 1.00 0.00 N ATOM 1310 CA SER A 98 -2.965 5.832 2.969 1.00 0.00 C ATOM 1311 C SER A 98 -3.964 6.554 2.073 1.00 0.00 C ATOM 1312 O SER A 98 -3.886 6.471 0.848 1.00 0.00 O ATOM 1313 CB SER A 98 -1.569 6.435 2.794 1.00 0.00 C ATOM 1314 OG SER A 98 -0.631 5.790 3.638 1.00 0.00 O ATOM 0 H SER A 98 -2.687 4.173 1.720 1.00 0.00 H new ATOM 0 HA SER A 98 -3.283 5.961 4.004 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.255 6.340 1.755 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.597 7.500 3.022 1.00 0.00 H new ATOM 0 HG SER A 98 0.254 6.190 3.509 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.914 7.248 2.689 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.915 7.995 1.938 1.00 0.00 C ATOM 1322 C ASP A 99 -5.326 9.315 1.456 1.00 0.00 C ATOM 1323 O ASP A 99 -4.114 9.532 1.549 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.168 8.240 2.797 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.056 9.459 3.695 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.250 9.433 4.644 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.781 10.448 3.452 1.00 0.00 O ATOM 0 H ASP A 99 -5.012 7.309 3.702 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.212 7.407 1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.031 8.359 2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.355 7.360 3.413 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.180 10.186 0.938 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.753 11.487 0.441 1.00 0.00 C ATOM 1334 C ALA A 100 -5.052 12.299 1.529 1.00 0.00 C ATOM 1335 O ALA A 100 -4.099 13.029 1.252 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.950 12.247 -0.106 1.00 0.00 C ATOM 0 H ALA A 100 -7.181 10.013 0.850 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.033 11.327 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.625 13.219 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.400 11.680 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.685 12.388 0.687 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.512 12.154 2.769 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.920 12.872 3.889 1.00 0.00 C ATOM 1344 C ALA A 101 -3.647 12.179 4.360 1.00 0.00 C ATOM 1345 O ALA A 101 -2.727 12.819 4.869 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.915 12.984 5.030 1.00 0.00 C ATOM 0 H ALA A 101 -6.292 11.546 3.021 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.660 13.876 3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.458 13.523 5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.799 13.523 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.203 11.986 5.361 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.607 10.866 4.193 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.444 10.104 4.595 1.00 0.00 C ATOM 1354 C GLY A 102 -2.731 9.185 5.765 1.00 0.00 C ATOM 1355 O GLY A 102 -1.812 8.617 6.359 1.00 0.00 O ATOM 0 H GLY A 102 -4.361 10.314 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.091 9.513 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.639 10.789 4.863 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.003 9.032 6.093 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.409 8.181 7.202 1.00 0.00 C ATOM 1361 C ASN A 103 -5.115 6.933 6.692 1.00 0.00 C ATOM 1362 O ASN A 103 -5.115 6.660 5.491 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.332 8.950 8.147 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.573 9.845 9.099 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.470 9.515 9.540 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.153 10.989 9.421 1.00 0.00 N ATOM 0 H ASN A 103 -4.775 9.487 5.606 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.514 7.877 7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.025 9.554 7.561 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.932 8.242 8.719 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.686 11.636 10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.067 11.224 9.034 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.707 6.179 7.606 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.407 4.973 7.226 1.00 0.00 C ATOM 1375 C GLY A 104 -6.059 3.800 8.118 1.00 0.00 C ATOM 1376 O GLY A 104 -5.420 3.981 9.158 1.00 0.00 O ATOM 0 H GLY A 104 -5.714 6.383 8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.482 5.151 7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.164 4.725 6.193 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.465 2.581 7.737 1.00 0.00 N ATOM 1381 CA PRO A 105 -6.183 1.369 8.513 1.00 0.00 C ATOM 1382 C PRO A 105 -4.685 1.100 8.614 1.00 0.00 C ATOM 1383 O PRO A 105 -3.907 1.557 7.773 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.869 0.253 7.716 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.846 0.952 6.831 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.232 2.285 6.520 1.00 0.00 C ATOM 0 HA PRO A 105 -6.541 1.450 9.539 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.146 -0.317 7.132 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.371 -0.453 8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.026 0.382 5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.809 1.071 7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.592 2.240 5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.990 3.044 6.325 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.285 0.355 9.636 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.879 0.037 9.843 1.00 0.00 C ATOM 1396 C GLU A 106 -2.392 -0.961 8.796 1.00 0.00 C ATOM 1397 O GLU A 106 -3.099 -1.913 8.455 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.664 -0.523 11.247 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.237 -0.371 11.745 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.013 -1.044 13.079 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.600 -0.594 14.084 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.248 -2.024 13.133 1.00 0.00 O ATOM 0 H GLU A 106 -4.915 -0.040 10.334 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.301 0.955 9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.338 -0.018 11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.933 -1.579 11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.552 -0.793 11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.997 0.689 11.832 1.00 0.00 H new ATOM 1409 N GLY A 107 -1.183 -0.739 8.298 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.615 -1.610 7.291 1.00 0.00 C ATOM 1411 C GLY A 107 -0.199 -2.959 7.844 1.00 0.00 C ATOM 1412 O GLY A 107 0.051 -3.098 9.042 1.00 0.00 O ATOM 0 H GLY A 107 -0.582 0.036 8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.343 -1.759 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.252 -1.123 6.844 1.00 0.00 H new ATOM 1416 N VAL A 108 -0.120 -3.949 6.965 1.00 0.00 N ATOM 1417 CA VAL A 108 0.262 -5.303 7.350 1.00 0.00 C ATOM 1418 C VAL A 108 1.492 -5.746 6.566 1.00 0.00 C ATOM 1419 O VAL A 108 1.545 -5.595 5.344 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.887 -6.307 7.095 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.518 -7.698 7.597 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.177 -5.830 7.747 1.00 0.00 C ATOM 0 H VAL A 108 -0.317 -3.839 5.970 1.00 0.00 H new ATOM 0 HA VAL A 108 0.486 -5.290 8.417 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.047 -6.365 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.343 -8.385 7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.374 -8.048 7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.321 -7.658 8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.971 -6.552 7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.027 -5.734 8.822 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.458 -4.862 7.332 1.00 0.00 H new ATOM 1432 N ALA A 109 2.482 -6.272 7.274 1.00 0.00 N ATOM 1433 CA ALA A 109 3.712 -6.741 6.651 1.00 0.00 C ATOM 1434 C ALA A 109 3.541 -8.148 6.096 1.00 0.00 C ATOM 1435 O ALA A 109 2.904 -9.000 6.723 1.00 0.00 O ATOM 1436 CB ALA A 109 4.858 -6.709 7.654 1.00 0.00 C ATOM 0 H ALA A 109 2.456 -6.385 8.287 1.00 0.00 H new ATOM 0 HA ALA A 109 3.947 -6.073 5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.771 -7.062 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.005 -5.688 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.619 -7.354 8.500 1.00 0.00 H new ATOM 1442 N ILE A 110 4.108 -8.386 4.922 1.00 0.00 N ATOM 1443 CA ILE A 110 4.032 -9.694 4.290 1.00 0.00 C ATOM 1444 C ILE A 110 5.413 -10.335 4.263 1.00 0.00 C ATOM 1445 O ILE A 110 6.420 -9.658 4.481 1.00 0.00 O ATOM 1446 CB ILE A 110 3.475 -9.617 2.850 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.325 -8.677 1.990 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.020 -9.163 2.868 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.994 -8.737 0.517 1.00 0.00 C ATOM 0 H ILE A 110 4.626 -7.689 4.388 1.00 0.00 H new ATOM 0 HA ILE A 110 3.345 -10.300 4.881 1.00 0.00 H new ATOM 0 HB ILE A 110 3.520 -10.613 2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.190 -7.654 2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.377 -8.925 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.642 -9.114 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.424 -9.873 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.952 -8.177 3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.636 -8.045 -0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.157 -9.750 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.951 -8.459 0.367 1.00 0.00 H new ATOM 1461 N SER A 111 5.464 -11.634 4.012 1.00 0.00 N ATOM 1462 CA SER A 111 6.729 -12.354 3.961 1.00 0.00 C ATOM 1463 C SER A 111 6.745 -13.322 2.785 1.00 0.00 C ATOM 1464 O SER A 111 5.762 -14.020 2.532 1.00 0.00 O ATOM 1465 CB SER A 111 6.957 -13.116 5.268 1.00 0.00 C ATOM 1466 OG SER A 111 6.702 -12.289 6.394 1.00 0.00 O ATOM 0 H SER A 111 4.642 -12.213 3.840 1.00 0.00 H new ATOM 0 HA SER A 111 7.533 -11.630 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.307 -13.990 5.301 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.984 -13.480 5.306 1.00 0.00 H new ATOM 0 HG SER A 111 6.853 -12.800 7.216 1.00 0.00 H new ATOM 1472 N PHE A 112 7.858 -13.353 2.065 1.00 0.00 N ATOM 1473 CA PHE A 112 8.000 -14.236 0.916 1.00 0.00 C ATOM 1474 C PHE A 112 8.628 -15.559 1.330 1.00 0.00 C ATOM 1475 O PHE A 112 9.502 -15.602 2.200 1.00 0.00 O ATOM 1476 CB PHE A 112 8.852 -13.577 -0.173 1.00 0.00 C ATOM 1477 CG PHE A 112 8.276 -12.296 -0.709 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.087 -12.298 -1.416 1.00 0.00 C ATOM 1479 CD2 PHE A 112 8.934 -11.092 -0.510 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.561 -11.121 -1.914 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.412 -9.914 -1.005 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.226 -9.929 -1.707 1.00 0.00 C ATOM 0 H PHE A 112 8.677 -12.776 2.257 1.00 0.00 H new ATOM 0 HA PHE A 112 7.004 -14.427 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.845 -13.377 0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.977 -14.280 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.564 -13.229 -1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.865 -11.076 0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.632 -11.134 -2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.932 -8.982 -0.842 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.817 -9.008 -2.095 1.00 0.00 H new ATOM 1492 N ASN A 113 8.173 -16.636 0.710 1.00 0.00 N ATOM 1493 CA ASN A 113 8.690 -17.963 1.010 1.00 0.00 C ATOM 1494 C ASN A 113 10.012 -18.186 0.289 1.00 0.00 C ATOM 1495 O ASN A 113 10.829 -18.996 0.776 1.00 0.00 O ATOM 1496 CB ASN A 113 7.674 -19.047 0.618 1.00 0.00 C ATOM 1497 CG ASN A 113 7.838 -19.529 -0.812 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.232 -18.815 -1.748 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 8.498 -20.536 -1.074 1.00 0.00 N flip ATOM 1500 OXT ASN A 113 10.239 -17.539 -0.757 1.00 0.00 O ATOM 0 H ASN A 113 7.446 -16.618 -0.005 1.00 0.00 H new ATOM 0 HA ASN A 113 8.860 -18.032 2.084 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.778 -19.895 1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.665 -18.655 0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 113 8.950 -21.059 -0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 113 8.592 -20.847 -2.041 1.00 0.00 H new