USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 180:sc= 0.844 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.815 X(o=1.7,f=1.4) USER MOD Single : A 1 ALA N :NH3+ -106:sc= 0.0616 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 44:sc= 0.604 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -164:sc= -0.968 USER MOD Single : A 11 SER OG : rot 180:sc= -0.26 USER MOD Single : A 17 THR OG1 : rot 115:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0335 K(o=-0.033,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 36 GLN : amide:sc= -1.94! C(o=-1.9!,f=-4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 48 ASN : amide:sc= -1.71! C(o=-1.7!,f=-7!) USER MOD Single : A 53 SER OG : rot 164:sc= 1.21 USER MOD Single : A 54 SER OG : rot -47:sc= 0.91 USER MOD Single : A 56 THR OG1 : rot 10:sc= 0.104 USER MOD Single : A 60 ASN : amide:sc= 1.16 K(o=1.2,f=-0.18) USER MOD Single : A 62 SER OG : rot 51:sc= 0.751 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 130:sc=-0.00576 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 89:sc= 1.31 USER MOD Single : A 72 SER OG : rot -97:sc= 1.26 USER MOD Single : A 81 THR OG1 : rot 101:sc= 1.25 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 126:sc= 0.637 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 98 SER OG : rot 2:sc= 0.417 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.023 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.010 5.276 15.734 1.00 0.00 N ATOM 2 CA ALA A 1 -16.709 4.088 15.196 1.00 0.00 C ATOM 3 C ALA A 1 -15.699 3.002 14.868 1.00 0.00 C ATOM 4 O ALA A 1 -14.560 3.299 14.507 1.00 0.00 O ATOM 5 CB ALA A 1 -17.516 4.449 13.956 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.170 5.338 16.760 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.990 5.193 15.547 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.378 6.133 15.274 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.400 3.719 15.954 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.021 3.560 13.579 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.257 5.206 14.212 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.848 4.840 13.188 1.00 0.00 H new ATOM 11 N ALA A 2 -16.113 1.750 15.001 1.00 0.00 N ATOM 12 CA ALA A 2 -15.235 0.623 14.721 1.00 0.00 C ATOM 13 C ALA A 2 -15.226 0.295 13.230 1.00 0.00 C ATOM 14 O ALA A 2 -16.260 -0.047 12.655 1.00 0.00 O ATOM 15 CB ALA A 2 -15.658 -0.595 15.534 1.00 0.00 C ATOM 0 H ALA A 2 -17.052 1.489 15.301 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.222 0.901 15.012 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.992 -1.429 15.313 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.605 -0.359 16.597 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.680 -0.869 15.274 1.00 0.00 H new ATOM 21 N PRO A 3 -14.061 0.416 12.580 1.00 0.00 N ATOM 22 CA PRO A 3 -13.927 0.113 11.160 1.00 0.00 C ATOM 23 C PRO A 3 -13.891 -1.395 10.909 1.00 0.00 C ATOM 24 O PRO A 3 -13.618 -2.179 11.820 1.00 0.00 O ATOM 25 CB PRO A 3 -12.593 0.760 10.784 1.00 0.00 C ATOM 26 CG PRO A 3 -11.797 0.760 12.045 1.00 0.00 C ATOM 27 CD PRO A 3 -12.789 0.866 13.176 1.00 0.00 C ATOM 0 HA PRO A 3 -14.766 0.484 10.571 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.089 0.197 9.999 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.737 1.773 10.408 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.206 -0.152 12.131 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.098 1.596 12.063 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.500 0.240 14.020 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.862 1.888 13.548 1.00 0.00 H new ATOM 35 N THR A 4 -14.172 -1.802 9.682 1.00 0.00 N ATOM 36 CA THR A 4 -14.175 -3.214 9.334 1.00 0.00 C ATOM 37 C THR A 4 -13.196 -3.504 8.203 1.00 0.00 C ATOM 38 O THR A 4 -13.586 -3.934 7.116 1.00 0.00 O ATOM 39 CB THR A 4 -15.589 -3.669 8.929 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.475 -2.541 8.927 1.00 0.00 O ATOM 41 CG2 THR A 4 -16.113 -4.721 9.890 1.00 0.00 C ATOM 0 H THR A 4 -14.401 -1.175 8.910 1.00 0.00 H new ATOM 0 HA THR A 4 -13.860 -3.772 10.216 1.00 0.00 H new ATOM 0 HB THR A 4 -15.539 -4.103 7.930 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.374 -2.832 8.667 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.113 -5.027 9.584 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.450 -5.586 9.880 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.153 -4.306 10.897 1.00 0.00 H new ATOM 49 N ALA A 5 -11.921 -3.254 8.462 1.00 0.00 N ATOM 50 CA ALA A 5 -10.882 -3.482 7.470 1.00 0.00 C ATOM 51 C ALA A 5 -10.512 -4.959 7.399 1.00 0.00 C ATOM 52 O ALA A 5 -10.112 -5.558 8.400 1.00 0.00 O ATOM 53 CB ALA A 5 -9.650 -2.642 7.784 1.00 0.00 C ATOM 0 H ALA A 5 -11.581 -2.892 9.353 1.00 0.00 H new ATOM 0 HA ALA A 5 -11.271 -3.180 6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.883 -2.825 7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.919 -1.586 7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.266 -2.913 8.767 1.00 0.00 H new ATOM 59 N THR A 6 -10.664 -5.544 6.223 1.00 0.00 N ATOM 60 CA THR A 6 -10.344 -6.942 6.018 1.00 0.00 C ATOM 61 C THR A 6 -9.306 -7.091 4.906 1.00 0.00 C ATOM 62 O THR A 6 -9.616 -6.943 3.725 1.00 0.00 O ATOM 63 CB THR A 6 -11.613 -7.742 5.672 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.559 -6.889 5.003 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.242 -8.322 6.932 1.00 0.00 C ATOM 0 H THR A 6 -11.010 -5.066 5.391 1.00 0.00 H new ATOM 0 HA THR A 6 -9.926 -7.339 6.943 1.00 0.00 H new ATOM 0 HB THR A 6 -11.336 -8.564 5.012 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.093 -6.345 4.334 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.137 -8.884 6.666 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.530 -8.986 7.422 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.510 -7.512 7.611 1.00 0.00 H new ATOM 73 N VAL A 7 -8.071 -7.370 5.293 1.00 0.00 N ATOM 74 CA VAL A 7 -6.986 -7.514 4.331 1.00 0.00 C ATOM 75 C VAL A 7 -6.371 -8.906 4.392 1.00 0.00 C ATOM 76 O VAL A 7 -6.240 -9.492 5.467 1.00 0.00 O ATOM 77 CB VAL A 7 -5.886 -6.457 4.575 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.387 -5.078 4.175 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.446 -6.462 6.031 1.00 0.00 C ATOM 0 H VAL A 7 -7.794 -7.501 6.266 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.415 -7.363 3.340 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.022 -6.709 3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.604 -4.341 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.652 -5.080 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.265 -4.823 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.671 -5.710 6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.299 -6.235 6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.052 -7.445 6.289 1.00 0.00 H new ATOM 89 N THR A 8 -6.009 -9.434 3.237 1.00 0.00 N ATOM 90 CA THR A 8 -5.398 -10.752 3.159 1.00 0.00 C ATOM 91 C THR A 8 -3.928 -10.625 2.784 1.00 0.00 C ATOM 92 O THR A 8 -3.598 -10.304 1.641 1.00 0.00 O ATOM 93 CB THR A 8 -6.120 -11.638 2.132 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.536 -11.508 2.306 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.724 -13.101 2.283 1.00 0.00 C ATOM 0 H THR A 8 -6.127 -8.970 2.336 1.00 0.00 H new ATOM 0 HA THR A 8 -5.484 -11.222 4.139 1.00 0.00 H new ATOM 0 HB THR A 8 -5.830 -11.309 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.999 -12.071 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.253 -13.700 1.541 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.649 -13.204 2.133 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.986 -13.448 3.283 1.00 0.00 H new ATOM 103 N PRO A 9 -3.030 -10.854 3.751 1.00 0.00 N ATOM 104 CA PRO A 9 -1.590 -10.759 3.528 1.00 0.00 C ATOM 105 C PRO A 9 -1.055 -11.918 2.693 1.00 0.00 C ATOM 106 O PRO A 9 -1.596 -13.024 2.725 1.00 0.00 O ATOM 107 CB PRO A 9 -1.005 -10.789 4.939 1.00 0.00 C ATOM 108 CG PRO A 9 -2.011 -11.521 5.758 1.00 0.00 C ATOM 109 CD PRO A 9 -3.353 -11.234 5.139 1.00 0.00 C ATOM 0 HA PRO A 9 -1.322 -9.863 2.967 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.040 -11.295 4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.843 -9.781 5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.805 -12.591 5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.983 -11.189 6.796 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.004 -12.108 5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.871 -10.431 5.663 1.00 0.00 H new ATOM 117 N SER A 10 0.010 -11.655 1.950 1.00 0.00 N ATOM 118 CA SER A 10 0.627 -12.666 1.102 1.00 0.00 C ATOM 119 C SER A 10 1.884 -13.241 1.759 1.00 0.00 C ATOM 120 O SER A 10 2.834 -13.639 1.080 1.00 0.00 O ATOM 121 CB SER A 10 0.964 -12.048 -0.258 1.00 0.00 C ATOM 122 OG SER A 10 -0.183 -11.439 -0.828 1.00 0.00 O ATOM 0 H SER A 10 0.468 -10.744 1.917 1.00 0.00 H new ATOM 0 HA SER A 10 -0.076 -13.487 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.755 -11.307 -0.141 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.345 -12.818 -0.929 1.00 0.00 H new ATOM 0 HG SER A 10 -0.027 -11.277 -1.782 1.00 0.00 H new ATOM 128 N SER A 11 1.881 -13.291 3.082 1.00 0.00 N ATOM 129 CA SER A 11 3.012 -13.817 3.830 1.00 0.00 C ATOM 130 C SER A 11 3.188 -15.310 3.564 1.00 0.00 C ATOM 131 O SER A 11 2.335 -16.124 3.923 1.00 0.00 O ATOM 132 CB SER A 11 2.811 -13.552 5.320 1.00 0.00 C ATOM 133 OG SER A 11 2.556 -12.175 5.542 1.00 0.00 O ATOM 0 H SER A 11 1.105 -12.972 3.662 1.00 0.00 H new ATOM 0 HA SER A 11 3.920 -13.311 3.501 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.979 -14.148 5.694 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.698 -13.859 5.874 1.00 0.00 H new ATOM 0 HG SER A 11 2.427 -12.017 6.500 1.00 0.00 H new ATOM 139 N GLY A 12 4.291 -15.653 2.912 1.00 0.00 N ATOM 140 CA GLY A 12 4.572 -17.037 2.587 1.00 0.00 C ATOM 141 C GLY A 12 4.439 -17.292 1.103 1.00 0.00 C ATOM 142 O GLY A 12 4.794 -18.361 0.606 1.00 0.00 O ATOM 0 H GLY A 12 5.001 -14.991 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.581 -17.291 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.888 -17.687 3.132 1.00 0.00 H new ATOM 146 N LEU A 13 3.941 -16.296 0.391 1.00 0.00 N ATOM 147 CA LEU A 13 3.756 -16.400 -1.043 1.00 0.00 C ATOM 148 C LEU A 13 4.948 -15.785 -1.773 1.00 0.00 C ATOM 149 O LEU A 13 5.784 -15.123 -1.161 1.00 0.00 O ATOM 150 CB LEU A 13 2.442 -15.727 -1.451 1.00 0.00 C ATOM 151 CG LEU A 13 1.204 -16.258 -0.714 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.057 -15.534 -1.154 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.052 -17.754 -0.925 1.00 0.00 C ATOM 0 H LEU A 13 3.656 -15.401 0.788 1.00 0.00 H new ATOM 0 HA LEU A 13 3.698 -17.451 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.525 -14.655 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.297 -15.860 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 13 1.349 -16.067 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.914 -15.935 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.042 -14.470 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.204 -15.678 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.169 -18.108 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.943 -17.962 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.935 -18.267 -0.543 1.00 0.00 H new ATOM 165 N SER A 14 5.032 -16.027 -3.070 1.00 0.00 N ATOM 166 CA SER A 14 6.135 -15.521 -3.877 1.00 0.00 C ATOM 167 C SER A 14 5.817 -14.147 -4.469 1.00 0.00 C ATOM 168 O SER A 14 4.746 -13.588 -4.228 1.00 0.00 O ATOM 169 CB SER A 14 6.437 -16.522 -4.994 1.00 0.00 C ATOM 170 OG SER A 14 6.511 -17.846 -4.484 1.00 0.00 O ATOM 0 H SER A 14 4.347 -16.574 -3.591 1.00 0.00 H new ATOM 0 HA SER A 14 7.009 -15.404 -3.236 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.661 -16.465 -5.758 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.379 -16.261 -5.476 1.00 0.00 H new ATOM 0 HG SER A 14 6.704 -18.468 -5.216 1.00 0.00 H new ATOM 176 N ASP A 15 6.760 -13.600 -5.236 1.00 0.00 N ATOM 177 CA ASP A 15 6.566 -12.300 -5.871 1.00 0.00 C ATOM 178 C ASP A 15 5.607 -12.440 -7.042 1.00 0.00 C ATOM 179 O ASP A 15 5.477 -13.520 -7.625 1.00 0.00 O ATOM 180 CB ASP A 15 7.901 -11.703 -6.342 1.00 0.00 C ATOM 181 CG ASP A 15 8.422 -12.335 -7.619 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.146 -13.350 -7.534 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.127 -11.807 -8.711 1.00 0.00 O ATOM 0 H ASP A 15 7.661 -14.036 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 15 6.140 -11.618 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.777 -10.632 -6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.644 -11.826 -5.554 1.00 0.00 H new ATOM 188 N GLY A 16 4.925 -11.357 -7.370 1.00 0.00 N ATOM 189 CA GLY A 16 3.971 -11.393 -8.453 1.00 0.00 C ATOM 190 C GLY A 16 2.594 -11.767 -7.949 1.00 0.00 C ATOM 191 O GLY A 16 1.637 -11.854 -8.721 1.00 0.00 O ATOM 0 H GLY A 16 5.015 -10.453 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.932 -10.419 -8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.295 -12.113 -9.205 1.00 0.00 H new ATOM 195 N THR A 17 2.504 -11.992 -6.644 1.00 0.00 N ATOM 196 CA THR A 17 1.252 -12.350 -6.006 1.00 0.00 C ATOM 197 C THR A 17 0.396 -11.113 -5.785 1.00 0.00 C ATOM 198 O THR A 17 0.908 -10.033 -5.481 1.00 0.00 O ATOM 199 CB THR A 17 1.500 -13.055 -4.660 1.00 0.00 C ATOM 200 OG1 THR A 17 2.297 -14.226 -4.867 1.00 0.00 O ATOM 201 CG2 THR A 17 0.194 -13.448 -3.988 1.00 0.00 C ATOM 0 H THR A 17 3.296 -11.931 -6.004 1.00 0.00 H new ATOM 0 HA THR A 17 0.725 -13.038 -6.668 1.00 0.00 H new ATOM 0 HB THR A 17 2.024 -12.356 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.164 -14.114 -4.424 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.407 -13.943 -3.041 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.404 -12.555 -3.805 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.359 -14.128 -4.636 1.00 0.00 H new ATOM 209 N VAL A 18 -0.900 -11.274 -5.970 1.00 0.00 N ATOM 210 CA VAL A 18 -1.833 -10.186 -5.787 1.00 0.00 C ATOM 211 C VAL A 18 -2.392 -10.181 -4.364 1.00 0.00 C ATOM 212 O VAL A 18 -2.985 -11.163 -3.911 1.00 0.00 O ATOM 213 CB VAL A 18 -2.989 -10.276 -6.808 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.038 -9.216 -6.536 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.456 -10.140 -8.226 1.00 0.00 C ATOM 0 H VAL A 18 -1.330 -12.156 -6.249 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.293 -9.254 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.459 -11.254 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.840 -9.302 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.445 -9.355 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.584 -8.228 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.283 -10.206 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.959 -9.176 -8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.744 -10.941 -8.425 1.00 0.00 H new ATOM 225 N VAL A 19 -2.172 -9.077 -3.665 1.00 0.00 N ATOM 226 CA VAL A 19 -2.649 -8.899 -2.302 1.00 0.00 C ATOM 227 C VAL A 19 -4.092 -8.397 -2.326 1.00 0.00 C ATOM 228 O VAL A 19 -4.438 -7.522 -3.126 1.00 0.00 O ATOM 229 CB VAL A 19 -1.766 -7.890 -1.526 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.179 -7.814 -0.063 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.287 -8.244 -1.654 1.00 0.00 C ATOM 0 H VAL A 19 -1.655 -8.276 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.597 -9.862 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.917 -6.906 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.543 -7.098 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.218 -7.493 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.072 -8.796 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.310 -7.520 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.115 -9.241 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.002 -8.224 -2.705 1.00 0.00 H new ATOM 241 N LYS A 20 -4.927 -8.950 -1.460 1.00 0.00 N ATOM 242 CA LYS A 20 -6.329 -8.562 -1.394 1.00 0.00 C ATOM 243 C LYS A 20 -6.556 -7.521 -0.302 1.00 0.00 C ATOM 244 O LYS A 20 -6.306 -7.778 0.880 1.00 0.00 O ATOM 245 CB LYS A 20 -7.206 -9.792 -1.149 1.00 0.00 C ATOM 246 CG LYS A 20 -8.680 -9.468 -0.953 1.00 0.00 C ATOM 247 CD LYS A 20 -9.536 -10.725 -0.969 1.00 0.00 C ATOM 248 CE LYS A 20 -9.864 -11.149 -2.391 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.498 -12.493 -2.441 1.00 0.00 N ATOM 0 H LYS A 20 -4.658 -9.671 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.606 -8.116 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.103 -10.474 -1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.839 -10.318 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.816 -8.947 -0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.012 -8.791 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.011 -11.532 -0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.459 -10.546 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.533 -10.416 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.951 -11.157 -2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.705 -12.743 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.850 -13.198 -2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.383 -12.480 -1.895 1.00 0.00 H new ATOM 263 N VAL A 21 -7.025 -6.348 -0.705 1.00 0.00 N ATOM 264 CA VAL A 21 -7.288 -5.265 0.229 1.00 0.00 C ATOM 265 C VAL A 21 -8.762 -4.875 0.193 1.00 0.00 C ATOM 266 O VAL A 21 -9.220 -4.238 -0.756 1.00 0.00 O ATOM 267 CB VAL A 21 -6.425 -4.024 -0.091 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.770 -2.869 0.839 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.943 -4.357 0.006 1.00 0.00 C ATOM 0 H VAL A 21 -7.232 -6.123 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.029 -5.623 1.225 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.644 -3.718 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.149 -2.007 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.821 -2.606 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.587 -3.166 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.355 -3.469 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.711 -4.695 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.700 -5.146 -0.705 1.00 0.00 H new ATOM 279 N ALA A 22 -9.501 -5.269 1.219 1.00 0.00 N ATOM 280 CA ALA A 22 -10.920 -4.955 1.302 1.00 0.00 C ATOM 281 C ALA A 22 -11.217 -4.122 2.546 1.00 0.00 C ATOM 282 O ALA A 22 -11.349 -4.655 3.650 1.00 0.00 O ATOM 283 CB ALA A 22 -11.747 -6.234 1.301 1.00 0.00 C ATOM 0 H ALA A 22 -9.141 -5.808 2.007 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.194 -4.366 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.806 -5.983 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.559 -6.788 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.469 -6.848 2.158 1.00 0.00 H new ATOM 289 N GLY A 23 -11.315 -2.814 2.372 1.00 0.00 N ATOM 290 CA GLY A 23 -11.591 -1.944 3.494 1.00 0.00 C ATOM 291 C GLY A 23 -13.059 -1.579 3.602 1.00 0.00 C ATOM 292 O GLY A 23 -13.696 -1.240 2.605 1.00 0.00 O ATOM 0 H GLY A 23 -11.209 -2.340 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.273 -2.433 4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.000 -1.033 3.397 1.00 0.00 H new ATOM 296 N ALA A 24 -13.595 -1.661 4.809 1.00 0.00 N ATOM 297 CA ALA A 24 -14.990 -1.327 5.054 1.00 0.00 C ATOM 298 C ALA A 24 -15.101 -0.419 6.272 1.00 0.00 C ATOM 299 O ALA A 24 -14.244 -0.456 7.158 1.00 0.00 O ATOM 300 CB ALA A 24 -15.817 -2.585 5.247 1.00 0.00 C ATOM 0 H ALA A 24 -13.082 -1.958 5.639 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.381 -0.797 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.857 -2.313 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.755 -3.202 4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.434 -3.145 6.100 1.00 0.00 H new ATOM 306 N GLY A 25 -16.157 0.380 6.323 1.00 0.00 N ATOM 307 CA GLY A 25 -16.333 1.296 7.430 1.00 0.00 C ATOM 308 C GLY A 25 -15.397 2.478 7.306 1.00 0.00 C ATOM 309 O GLY A 25 -14.864 2.975 8.300 1.00 0.00 O ATOM 0 H GLY A 25 -16.894 0.410 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.365 1.646 7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.147 0.777 8.370 1.00 0.00 H new ATOM 313 N LEU A 26 -15.184 2.908 6.070 1.00 0.00 N ATOM 314 CA LEU A 26 -14.299 4.026 5.783 1.00 0.00 C ATOM 315 C LEU A 26 -15.118 5.264 5.446 1.00 0.00 C ATOM 316 O LEU A 26 -16.350 5.212 5.420 1.00 0.00 O ATOM 317 CB LEU A 26 -13.380 3.675 4.608 1.00 0.00 C ATOM 318 CG LEU A 26 -12.749 2.278 4.652 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.050 1.967 3.336 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.771 2.163 5.813 1.00 0.00 C ATOM 0 H LEU A 26 -15.617 2.495 5.244 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.690 4.231 6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.951 3.767 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.580 4.414 4.563 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.546 1.549 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.608 0.972 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.774 2.003 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.267 2.704 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.336 1.164 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.979 2.903 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.297 2.340 6.751 1.00 0.00 H new ATOM 332 N GLN A 27 -14.437 6.371 5.189 1.00 0.00 N ATOM 333 CA GLN A 27 -15.110 7.612 4.839 1.00 0.00 C ATOM 334 C GLN A 27 -15.530 7.572 3.374 1.00 0.00 C ATOM 335 O GLN A 27 -14.684 7.614 2.477 1.00 0.00 O ATOM 336 CB GLN A 27 -14.190 8.808 5.098 1.00 0.00 C ATOM 337 CG GLN A 27 -14.868 10.156 4.902 1.00 0.00 C ATOM 338 CD GLN A 27 -15.837 10.488 6.015 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.644 10.088 7.159 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.882 11.227 5.687 1.00 0.00 N ATOM 0 H GLN A 27 -13.419 6.435 5.216 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.999 7.723 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.809 8.748 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.330 8.744 4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.108 10.935 4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.400 10.156 3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.004 11.538 4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.567 11.486 6.397 1.00 0.00 H new ATOM 349 N ALA A 28 -16.829 7.465 3.140 1.00 0.00 N ATOM 350 CA ALA A 28 -17.366 7.409 1.789 1.00 0.00 C ATOM 351 C ALA A 28 -17.123 8.716 1.042 1.00 0.00 C ATOM 352 O ALA A 28 -17.303 9.798 1.599 1.00 0.00 O ATOM 353 CB ALA A 28 -18.851 7.089 1.830 1.00 0.00 C ATOM 0 H ALA A 28 -17.535 7.415 3.874 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.847 6.616 1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.243 7.049 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.002 6.125 2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.375 7.863 2.391 1.00 0.00 H new ATOM 359 N GLY A 29 -16.697 8.609 -0.212 1.00 0.00 N ATOM 360 CA GLY A 29 -16.439 9.790 -1.014 1.00 0.00 C ATOM 361 C GLY A 29 -14.959 10.107 -1.134 1.00 0.00 C ATOM 362 O GLY A 29 -14.535 10.777 -2.078 1.00 0.00 O ATOM 0 H GLY A 29 -16.526 7.723 -0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.857 9.646 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.954 10.643 -0.573 1.00 0.00 H new ATOM 366 N THR A 30 -14.170 9.623 -0.186 1.00 0.00 N ATOM 367 CA THR A 30 -12.734 9.870 -0.186 1.00 0.00 C ATOM 368 C THR A 30 -11.982 8.767 -0.926 1.00 0.00 C ATOM 369 O THR A 30 -12.415 7.610 -0.948 1.00 0.00 O ATOM 370 CB THR A 30 -12.199 9.971 1.252 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.277 9.804 2.177 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.531 11.316 1.494 1.00 0.00 C ATOM 0 H THR A 30 -14.500 9.056 0.595 1.00 0.00 H new ATOM 0 HA THR A 30 -12.568 10.816 -0.702 1.00 0.00 H new ATOM 0 HB THR A 30 -11.457 9.185 1.397 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.419 8.849 2.344 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.162 11.360 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.697 11.438 0.803 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.254 12.116 1.334 1.00 0.00 H new ATOM 380 N ALA A 31 -10.864 9.140 -1.534 1.00 0.00 N ATOM 381 CA ALA A 31 -10.038 8.194 -2.266 1.00 0.00 C ATOM 382 C ALA A 31 -8.938 7.645 -1.373 1.00 0.00 C ATOM 383 O ALA A 31 -8.483 8.316 -0.442 1.00 0.00 O ATOM 384 CB ALA A 31 -9.439 8.853 -3.500 1.00 0.00 C ATOM 0 H ALA A 31 -10.508 10.096 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.668 7.365 -2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.824 8.130 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.240 9.201 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.823 9.700 -3.197 1.00 0.00 H new ATOM 390 N TYR A 32 -8.514 6.427 -1.657 1.00 0.00 N ATOM 391 CA TYR A 32 -7.471 5.785 -0.881 1.00 0.00 C ATOM 392 C TYR A 32 -6.325 5.355 -1.779 1.00 0.00 C ATOM 393 O TYR A 32 -6.538 4.876 -2.896 1.00 0.00 O ATOM 394 CB TYR A 32 -8.035 4.576 -0.131 1.00 0.00 C ATOM 395 CG TYR A 32 -8.831 4.947 1.101 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.189 5.226 1.017 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.221 5.022 2.344 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.917 5.569 2.140 1.00 0.00 C ATOM 399 CE2 TYR A 32 -8.943 5.364 3.473 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.289 5.637 3.364 1.00 0.00 C ATOM 401 OH TYR A 32 -11.011 5.983 4.485 1.00 0.00 O ATOM 0 H TYR A 32 -8.879 5.861 -2.423 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.091 6.504 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.671 4.004 -0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.212 3.923 0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.684 5.174 0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.166 4.810 2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.973 5.783 2.059 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.454 5.417 4.435 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.420 5.984 5.267 1.00 0.00 H new ATOM 411 N ASP A 33 -5.114 5.543 -1.289 1.00 0.00 N ATOM 412 CA ASP A 33 -3.919 5.170 -2.026 1.00 0.00 C ATOM 413 C ASP A 33 -3.346 3.906 -1.417 1.00 0.00 C ATOM 414 O ASP A 33 -2.920 3.905 -0.261 1.00 0.00 O ATOM 415 CB ASP A 33 -2.879 6.291 -1.979 1.00 0.00 C ATOM 416 CG ASP A 33 -1.768 6.100 -2.993 1.00 0.00 C ATOM 417 OD1 ASP A 33 -0.805 5.364 -2.701 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.844 6.703 -4.086 1.00 0.00 O ATOM 0 H ASP A 33 -4.930 5.956 -0.375 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.180 4.997 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.372 7.246 -2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.448 6.340 -0.979 1.00 0.00 H new ATOM 423 N VAL A 34 -3.371 2.825 -2.178 1.00 0.00 N ATOM 424 CA VAL A 34 -2.867 1.551 -1.692 1.00 0.00 C ATOM 425 C VAL A 34 -1.847 0.958 -2.654 1.00 0.00 C ATOM 426 O VAL A 34 -2.108 0.836 -3.856 1.00 0.00 O ATOM 427 CB VAL A 34 -4.010 0.526 -1.488 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.519 -0.679 -0.701 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.208 1.165 -0.795 1.00 0.00 C ATOM 0 H VAL A 34 -3.733 2.803 -3.131 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.390 1.752 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.332 0.188 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.338 -1.386 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.707 -1.162 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.160 -0.354 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.994 0.420 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.904 1.545 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.584 1.988 -1.403 1.00 0.00 H new ATOM 439 N GLY A 35 -0.679 0.613 -2.129 1.00 0.00 N ATOM 440 CA GLY A 35 0.353 0.007 -2.940 1.00 0.00 C ATOM 441 C GLY A 35 1.356 -0.735 -2.085 1.00 0.00 C ATOM 442 O GLY A 35 1.220 -0.771 -0.861 1.00 0.00 O ATOM 0 H GLY A 35 -0.429 0.744 -1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.099 -0.681 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.864 0.777 -3.519 1.00 0.00 H new ATOM 446 N GLN A 36 2.341 -1.359 -2.714 1.00 0.00 N ATOM 447 CA GLN A 36 3.365 -2.063 -1.963 1.00 0.00 C ATOM 448 C GLN A 36 4.415 -1.055 -1.516 1.00 0.00 C ATOM 449 O GLN A 36 4.939 -0.292 -2.329 1.00 0.00 O ATOM 450 CB GLN A 36 3.997 -3.190 -2.790 1.00 0.00 C ATOM 451 CG GLN A 36 4.612 -2.738 -4.105 1.00 0.00 C ATOM 452 CD GLN A 36 5.616 -3.738 -4.655 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.745 -3.904 -5.861 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.339 -4.412 -3.772 1.00 0.00 N ATOM 0 H GLN A 36 2.451 -1.392 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 36 2.912 -2.534 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.768 -3.675 -2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.235 -3.941 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.820 -2.583 -4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.105 -1.777 -3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.206 -4.249 -2.774 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.028 -5.093 -4.091 1.00 0.00 H new ATOM 463 N CYS A 37 4.700 -1.027 -0.227 1.00 0.00 N ATOM 464 CA CYS A 37 5.660 -0.081 0.309 1.00 0.00 C ATOM 465 C CYS A 37 6.597 -0.755 1.300 1.00 0.00 C ATOM 466 O CYS A 37 6.339 -1.869 1.752 1.00 0.00 O ATOM 467 CB CYS A 37 4.911 1.069 0.987 1.00 0.00 C ATOM 468 SG CYS A 37 3.191 1.260 0.412 1.00 0.00 S ATOM 0 H CYS A 37 4.281 -1.647 0.466 1.00 0.00 H new ATOM 0 HA CYS A 37 6.265 0.308 -0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.909 0.905 2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.451 1.999 0.807 1.00 0.00 H new ATOM 473 N ALA A 38 7.690 -0.078 1.615 1.00 0.00 N ATOM 474 CA ALA A 38 8.672 -0.586 2.559 1.00 0.00 C ATOM 475 C ALA A 38 9.595 0.543 2.997 1.00 0.00 C ATOM 476 O ALA A 38 9.429 1.686 2.558 1.00 0.00 O ATOM 477 CB ALA A 38 9.471 -1.724 1.940 1.00 0.00 C ATOM 0 H ALA A 38 7.921 0.836 1.225 1.00 0.00 H new ATOM 0 HA ALA A 38 8.153 -0.977 3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.201 -2.091 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.796 -2.534 1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.989 -1.363 1.051 1.00 0.00 H new ATOM 483 N TRP A 39 10.550 0.230 3.862 1.00 0.00 N ATOM 484 CA TRP A 39 11.500 1.224 4.350 1.00 0.00 C ATOM 485 C TRP A 39 12.470 1.618 3.243 1.00 0.00 C ATOM 486 O TRP A 39 13.269 0.801 2.788 1.00 0.00 O ATOM 487 CB TRP A 39 12.283 0.687 5.553 1.00 0.00 C ATOM 488 CG TRP A 39 11.414 0.312 6.712 1.00 0.00 C ATOM 489 CD1 TRP A 39 11.071 -0.950 7.098 1.00 0.00 C ATOM 490 CD2 TRP A 39 10.771 1.205 7.630 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.259 -0.900 8.204 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.058 0.410 8.549 1.00 0.00 C ATOM 493 CE3 TRP A 39 10.729 2.595 7.767 1.00 0.00 C ATOM 494 CZ2 TRP A 39 9.316 0.963 9.590 1.00 0.00 C ATOM 495 CZ3 TRP A 39 9.990 3.141 8.798 1.00 0.00 C ATOM 496 CH2 TRP A 39 9.292 2.325 9.698 1.00 0.00 C ATOM 0 H TRP A 39 10.689 -0.706 4.242 1.00 0.00 H new ATOM 0 HA TRP A 39 10.936 2.102 4.664 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.857 -0.186 5.242 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.000 1.442 5.876 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.391 -1.856 6.606 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.869 -1.708 8.690 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.265 3.231 7.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.779 0.337 10.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 9.949 4.214 8.912 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.723 2.782 10.494 1.00 0.00 H new ATOM 507 N VAL A 40 12.389 2.863 2.803 1.00 0.00 N ATOM 508 CA VAL A 40 13.268 3.355 1.755 1.00 0.00 C ATOM 509 C VAL A 40 14.466 4.070 2.377 1.00 0.00 C ATOM 510 O VAL A 40 15.555 4.097 1.808 1.00 0.00 O ATOM 511 CB VAL A 40 12.520 4.290 0.774 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.087 5.579 1.458 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.376 4.583 -0.453 1.00 0.00 C ATOM 0 H VAL A 40 11.724 3.551 3.155 1.00 0.00 H new ATOM 0 HA VAL A 40 13.622 2.500 1.179 1.00 0.00 H new ATOM 0 HB VAL A 40 11.618 3.774 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.565 6.213 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.421 5.344 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.965 6.104 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.830 5.242 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.302 5.067 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.609 3.650 -0.966 1.00 0.00 H new ATOM 523 N ASP A 41 14.256 4.620 3.565 1.00 0.00 N ATOM 524 CA ASP A 41 15.305 5.326 4.288 1.00 0.00 C ATOM 525 C ASP A 41 15.117 5.114 5.784 1.00 0.00 C ATOM 526 O ASP A 41 14.255 4.341 6.202 1.00 0.00 O ATOM 527 CB ASP A 41 15.283 6.826 3.958 1.00 0.00 C ATOM 528 CG ASP A 41 16.654 7.483 4.064 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.184 7.608 5.191 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.203 7.887 3.021 1.00 0.00 O ATOM 0 H ASP A 41 13.360 4.590 4.052 1.00 0.00 H new ATOM 0 HA ASP A 41 16.273 4.928 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.898 6.964 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.592 7.330 4.634 1.00 0.00 H new ATOM 535 N THR A 42 15.909 5.816 6.576 1.00 0.00 N ATOM 536 CA THR A 42 15.853 5.716 8.025 1.00 0.00 C ATOM 537 C THR A 42 14.547 6.287 8.574 1.00 0.00 C ATOM 538 O THR A 42 14.417 7.495 8.768 1.00 0.00 O ATOM 539 CB THR A 42 17.041 6.466 8.650 1.00 0.00 C ATOM 540 OG1 THR A 42 18.073 6.632 7.664 1.00 0.00 O ATOM 541 CG2 THR A 42 17.599 5.713 9.849 1.00 0.00 C ATOM 0 H THR A 42 16.610 6.472 6.232 1.00 0.00 H new ATOM 0 HA THR A 42 15.903 4.659 8.287 1.00 0.00 H new ATOM 0 HB THR A 42 16.690 7.440 8.992 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.830 7.111 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.438 6.268 10.269 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.821 5.604 10.605 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.939 4.727 9.533 1.00 0.00 H new ATOM 549 N GLY A 43 13.576 5.412 8.795 1.00 0.00 N ATOM 550 CA GLY A 43 12.290 5.832 9.317 1.00 0.00 C ATOM 551 C GLY A 43 11.382 6.376 8.236 1.00 0.00 C ATOM 552 O GLY A 43 10.289 6.864 8.521 1.00 0.00 O ATOM 0 H GLY A 43 13.657 4.410 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.805 4.987 9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.442 6.596 10.080 1.00 0.00 H new ATOM 556 N VAL A 44 11.830 6.287 6.989 1.00 0.00 N ATOM 557 CA VAL A 44 11.055 6.787 5.863 1.00 0.00 C ATOM 558 C VAL A 44 10.501 5.631 5.038 1.00 0.00 C ATOM 559 O VAL A 44 11.246 4.746 4.612 1.00 0.00 O ATOM 560 CB VAL A 44 11.902 7.704 4.955 1.00 0.00 C ATOM 561 CG1 VAL A 44 11.032 8.384 3.906 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.649 8.738 5.784 1.00 0.00 C ATOM 0 H VAL A 44 12.726 5.873 6.734 1.00 0.00 H new ATOM 0 HA VAL A 44 10.230 7.371 6.272 1.00 0.00 H new ATOM 0 HB VAL A 44 12.634 7.084 4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.652 9.025 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.550 7.627 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.271 8.987 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.240 9.374 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.933 9.350 6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.309 8.232 6.488 1.00 0.00 H new ATOM 572 N LEU A 45 9.193 5.645 4.827 1.00 0.00 N ATOM 573 CA LEU A 45 8.525 4.610 4.050 1.00 0.00 C ATOM 574 C LEU A 45 8.156 5.151 2.676 1.00 0.00 C ATOM 575 O LEU A 45 7.960 6.355 2.515 1.00 0.00 O ATOM 576 CB LEU A 45 7.267 4.131 4.773 1.00 0.00 C ATOM 577 CG LEU A 45 7.521 3.337 6.051 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.420 3.596 7.066 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.616 1.852 5.742 1.00 0.00 C ATOM 0 H LEU A 45 8.569 6.367 5.186 1.00 0.00 H new ATOM 0 HA LEU A 45 9.205 3.766 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.654 4.999 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.686 3.513 4.089 1.00 0.00 H new ATOM 0 HG LEU A 45 8.469 3.665 6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.617 3.022 7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.392 4.658 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.460 3.294 6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.797 1.299 6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.682 1.513 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.437 1.677 5.047 1.00 0.00 H new ATOM 591 N ALA A 46 8.065 4.269 1.692 1.00 0.00 N ATOM 592 CA ALA A 46 7.721 4.674 0.337 1.00 0.00 C ATOM 593 C ALA A 46 7.018 3.545 -0.410 1.00 0.00 C ATOM 594 O ALA A 46 7.385 2.378 -0.265 1.00 0.00 O ATOM 595 CB ALA A 46 8.971 5.110 -0.405 1.00 0.00 C ATOM 0 H ALA A 46 8.225 3.268 1.806 1.00 0.00 H new ATOM 0 HA ALA A 46 7.031 5.516 0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.706 5.412 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.429 5.951 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.677 4.281 -0.446 1.00 0.00 H new ATOM 601 N CYS A 47 6.010 3.895 -1.204 1.00 0.00 N ATOM 602 CA CYS A 47 5.249 2.908 -1.971 1.00 0.00 C ATOM 603 C CYS A 47 5.669 2.913 -3.435 1.00 0.00 C ATOM 604 O CYS A 47 6.504 3.713 -3.848 1.00 0.00 O ATOM 605 CB CYS A 47 3.745 3.192 -1.879 1.00 0.00 C ATOM 606 SG CYS A 47 3.068 3.191 -0.190 1.00 0.00 S ATOM 0 H CYS A 47 5.699 4.858 -1.335 1.00 0.00 H new ATOM 0 HA CYS A 47 5.459 1.928 -1.543 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.544 4.162 -2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.212 2.446 -2.469 1.00 0.00 H new ATOM 611 N ASN A 48 5.087 2.010 -4.213 1.00 0.00 N ATOM 612 CA ASN A 48 5.383 1.916 -5.634 1.00 0.00 C ATOM 613 C ASN A 48 4.178 2.357 -6.457 1.00 0.00 C ATOM 614 O ASN A 48 3.119 1.733 -6.398 1.00 0.00 O ATOM 615 CB ASN A 48 5.777 0.490 -6.008 1.00 0.00 C ATOM 616 CG ASN A 48 6.275 0.393 -7.433 1.00 0.00 C ATOM 617 OD1 ASN A 48 5.569 -0.081 -8.322 1.00 0.00 O ATOM 618 ND2 ASN A 48 7.490 0.866 -7.660 1.00 0.00 N ATOM 0 H ASN A 48 4.404 1.329 -3.880 1.00 0.00 H new ATOM 0 HA ASN A 48 6.221 2.577 -5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.553 0.139 -5.328 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.918 -0.169 -5.879 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.877 0.847 -8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.040 1.250 -6.891 1.00 0.00 H new ATOM 625 N PRO A 49 4.322 3.442 -7.231 1.00 0.00 N ATOM 626 CA PRO A 49 3.241 3.981 -8.058 1.00 0.00 C ATOM 627 C PRO A 49 3.111 3.286 -9.412 1.00 0.00 C ATOM 628 O PRO A 49 2.240 3.627 -10.211 1.00 0.00 O ATOM 629 CB PRO A 49 3.663 5.433 -8.249 1.00 0.00 C ATOM 630 CG PRO A 49 5.153 5.388 -8.258 1.00 0.00 C ATOM 631 CD PRO A 49 5.554 4.248 -7.352 1.00 0.00 C ATOM 0 HA PRO A 49 2.266 3.845 -7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.272 5.841 -9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.289 6.065 -7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.530 5.231 -9.269 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.572 6.330 -7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.372 3.667 -7.779 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.892 4.609 -6.381 1.00 0.00 H new ATOM 639 N ALA A 50 3.965 2.308 -9.665 1.00 0.00 N ATOM 640 CA ALA A 50 3.928 1.587 -10.929 1.00 0.00 C ATOM 641 C ALA A 50 2.892 0.473 -10.881 1.00 0.00 C ATOM 642 O ALA A 50 2.210 0.201 -11.871 1.00 0.00 O ATOM 643 CB ALA A 50 5.301 1.027 -11.270 1.00 0.00 C ATOM 0 H ALA A 50 4.688 1.996 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 50 3.641 2.288 -11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.250 0.492 -12.218 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.017 1.845 -11.352 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.620 0.343 -10.484 1.00 0.00 H new ATOM 649 N ASP A 51 2.768 -0.155 -9.722 1.00 0.00 N ATOM 650 CA ASP A 51 1.818 -1.246 -9.540 1.00 0.00 C ATOM 651 C ASP A 51 0.840 -0.934 -8.415 1.00 0.00 C ATOM 652 O ASP A 51 0.451 -1.815 -7.649 1.00 0.00 O ATOM 653 CB ASP A 51 2.558 -2.550 -9.240 1.00 0.00 C ATOM 654 CG ASP A 51 2.003 -3.723 -10.023 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.766 -3.885 -10.078 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.804 -4.486 -10.596 1.00 0.00 O ATOM 0 H ASP A 51 3.314 0.071 -8.891 1.00 0.00 H new ATOM 0 HA ASP A 51 1.254 -1.361 -10.466 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.615 -2.427 -9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.492 -2.765 -8.173 1.00 0.00 H new ATOM 661 N PHE A 52 0.445 0.328 -8.313 1.00 0.00 N ATOM 662 CA PHE A 52 -0.490 0.743 -7.278 1.00 0.00 C ATOM 663 C PHE A 52 -1.907 0.772 -7.834 1.00 0.00 C ATOM 664 O PHE A 52 -2.104 0.831 -9.053 1.00 0.00 O ATOM 665 CB PHE A 52 -0.095 2.108 -6.693 1.00 0.00 C ATOM 666 CG PHE A 52 -0.755 3.296 -7.341 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.322 3.767 -8.568 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.805 3.947 -6.712 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.922 4.862 -9.157 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.410 5.042 -7.293 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.968 5.501 -8.518 1.00 0.00 C ATOM 0 H PHE A 52 0.756 1.078 -8.931 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.454 0.017 -6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.335 2.114 -5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.986 2.222 -6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.495 3.272 -9.071 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.154 3.592 -5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.575 5.219 -10.115 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.227 5.539 -6.791 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.439 6.358 -8.976 1.00 0.00 H new ATOM 681 N SER A 53 -2.888 0.729 -6.949 1.00 0.00 N ATOM 682 CA SER A 53 -4.276 0.743 -7.369 1.00 0.00 C ATOM 683 C SER A 53 -5.013 1.952 -6.801 1.00 0.00 C ATOM 684 O SER A 53 -5.000 2.193 -5.590 1.00 0.00 O ATOM 685 CB SER A 53 -4.965 -0.554 -6.940 1.00 0.00 C ATOM 686 OG SER A 53 -4.269 -1.683 -7.450 1.00 0.00 O ATOM 0 H SER A 53 -2.749 0.684 -5.940 1.00 0.00 H new ATOM 0 HA SER A 53 -4.303 0.818 -8.456 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.007 -0.607 -5.852 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.994 -0.562 -7.300 1.00 0.00 H new ATOM 0 HG SER A 53 -4.554 -2.488 -6.969 1.00 0.00 H new ATOM 692 N SER A 54 -5.642 2.716 -7.682 1.00 0.00 N ATOM 693 CA SER A 54 -6.394 3.886 -7.276 1.00 0.00 C ATOM 694 C SER A 54 -7.824 3.487 -6.933 1.00 0.00 C ATOM 695 O SER A 54 -8.680 3.377 -7.815 1.00 0.00 O ATOM 696 CB SER A 54 -6.394 4.924 -8.397 1.00 0.00 C ATOM 697 OG SER A 54 -5.128 4.982 -9.035 1.00 0.00 O ATOM 0 H SER A 54 -5.644 2.542 -8.687 1.00 0.00 H new ATOM 0 HA SER A 54 -5.925 4.322 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.163 4.675 -9.128 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.646 5.904 -7.991 1.00 0.00 H new ATOM 0 HG SER A 54 -4.422 5.027 -8.357 1.00 0.00 H new ATOM 703 N VAL A 55 -8.070 3.245 -5.655 1.00 0.00 N ATOM 704 CA VAL A 55 -9.389 2.846 -5.196 1.00 0.00 C ATOM 705 C VAL A 55 -10.038 3.973 -4.393 1.00 0.00 C ATOM 706 O VAL A 55 -9.362 4.709 -3.669 1.00 0.00 O ATOM 707 CB VAL A 55 -9.318 1.544 -4.356 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.591 1.769 -3.038 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.710 0.969 -4.117 1.00 0.00 C ATOM 0 H VAL A 55 -7.371 3.319 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.006 2.645 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.744 0.816 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.560 0.836 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.574 2.107 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.118 2.526 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.630 0.057 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.317 1.698 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.179 0.741 -5.074 1.00 0.00 H new ATOM 719 N THR A 56 -11.340 4.128 -4.545 1.00 0.00 N ATOM 720 CA THR A 56 -12.064 5.162 -3.831 1.00 0.00 C ATOM 721 C THR A 56 -13.207 4.543 -3.031 1.00 0.00 C ATOM 722 O THR A 56 -13.721 3.485 -3.396 1.00 0.00 O ATOM 723 CB THR A 56 -12.601 6.243 -4.798 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.051 7.385 -4.061 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.745 5.713 -5.659 1.00 0.00 C ATOM 0 H THR A 56 -11.917 3.551 -5.157 1.00 0.00 H new ATOM 0 HA THR A 56 -11.372 5.648 -3.143 1.00 0.00 H new ATOM 0 HB THR A 56 -11.781 6.527 -5.457 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.777 7.299 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.095 6.502 -6.325 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.394 4.868 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.564 5.390 -5.017 1.00 0.00 H new ATOM 733 N ALA A 57 -13.590 5.187 -1.935 1.00 0.00 N ATOM 734 CA ALA A 57 -14.668 4.679 -1.104 1.00 0.00 C ATOM 735 C ALA A 57 -16.005 4.896 -1.795 1.00 0.00 C ATOM 736 O ALA A 57 -16.365 6.026 -2.133 1.00 0.00 O ATOM 737 CB ALA A 57 -14.648 5.345 0.262 1.00 0.00 C ATOM 0 H ALA A 57 -13.171 6.057 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.525 3.608 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.463 4.952 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.697 5.140 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.770 6.422 0.144 1.00 0.00 H new ATOM 743 N ASP A 58 -16.735 3.811 -2.000 1.00 0.00 N ATOM 744 CA ASP A 58 -18.029 3.859 -2.672 1.00 0.00 C ATOM 745 C ASP A 58 -19.117 4.419 -1.758 1.00 0.00 C ATOM 746 O ASP A 58 -18.845 4.839 -0.631 1.00 0.00 O ATOM 747 CB ASP A 58 -18.421 2.460 -3.177 1.00 0.00 C ATOM 748 CG ASP A 58 -18.842 1.500 -2.071 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.451 1.703 -0.902 1.00 0.00 O ATOM 750 OD2 ASP A 58 -19.564 0.530 -2.373 1.00 0.00 O ATOM 0 H ASP A 58 -16.451 2.876 -1.708 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.935 4.531 -3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.239 2.558 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.577 2.030 -3.717 1.00 0.00 H new ATOM 755 N ALA A 59 -20.352 4.410 -2.250 1.00 0.00 N ATOM 756 CA ALA A 59 -21.498 4.922 -1.499 1.00 0.00 C ATOM 757 C ALA A 59 -21.778 4.102 -0.242 1.00 0.00 C ATOM 758 O ALA A 59 -22.566 4.507 0.614 1.00 0.00 O ATOM 759 CB ALA A 59 -22.733 4.940 -2.388 1.00 0.00 C ATOM 0 H ALA A 59 -20.588 4.050 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.253 5.936 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.583 5.322 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.552 5.583 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.950 3.928 -2.730 1.00 0.00 H new ATOM 765 N ASN A 60 -21.128 2.954 -0.132 1.00 0.00 N ATOM 766 CA ASN A 60 -21.312 2.082 1.016 1.00 0.00 C ATOM 767 C ASN A 60 -20.190 2.294 2.023 1.00 0.00 C ATOM 768 O ASN A 60 -20.172 1.677 3.090 1.00 0.00 O ATOM 769 CB ASN A 60 -21.353 0.614 0.578 1.00 0.00 C ATOM 770 CG ASN A 60 -22.470 0.327 -0.409 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.636 0.214 -0.035 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.118 0.193 -1.677 1.00 0.00 N ATOM 0 H ASN A 60 -20.467 2.604 -0.826 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.263 2.331 1.487 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.397 0.347 0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.478 -0.019 1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.825 -0.011 -2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.140 0.294 -1.948 1.00 0.00 H new ATOM 779 N GLY A 61 -19.250 3.166 1.671 1.00 0.00 N ATOM 780 CA GLY A 61 -18.134 3.458 2.549 1.00 0.00 C ATOM 781 C GLY A 61 -17.130 2.330 2.580 1.00 0.00 C ATOM 782 O GLY A 61 -16.568 2.013 3.631 1.00 0.00 O ATOM 0 H GLY A 61 -19.243 3.677 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.642 4.373 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.504 3.642 3.558 1.00 0.00 H new ATOM 786 N SER A 62 -16.907 1.721 1.428 1.00 0.00 N ATOM 787 CA SER A 62 -15.980 0.612 1.319 1.00 0.00 C ATOM 788 C SER A 62 -15.044 0.796 0.129 1.00 0.00 C ATOM 789 O SER A 62 -15.375 1.489 -0.837 1.00 0.00 O ATOM 790 CB SER A 62 -16.762 -0.696 1.187 1.00 0.00 C ATOM 791 OG SER A 62 -18.138 -0.438 0.941 1.00 0.00 O ATOM 0 H SER A 62 -17.359 1.979 0.551 1.00 0.00 H new ATOM 0 HA SER A 62 -15.368 0.577 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.348 -1.292 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.655 -1.283 2.099 1.00 0.00 H new ATOM 0 HG SER A 62 -18.225 0.189 0.193 1.00 0.00 H new ATOM 797 N ALA A 63 -13.874 0.183 0.215 1.00 0.00 N ATOM 798 CA ALA A 63 -12.882 0.265 -0.843 1.00 0.00 C ATOM 799 C ALA A 63 -12.118 -1.047 -0.947 1.00 0.00 C ATOM 800 O ALA A 63 -11.241 -1.334 -0.130 1.00 0.00 O ATOM 801 CB ALA A 63 -11.930 1.426 -0.592 1.00 0.00 C ATOM 0 H ALA A 63 -13.587 -0.381 1.015 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.392 0.444 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.194 1.473 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.493 2.359 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.420 1.279 0.360 1.00 0.00 H new ATOM 807 N SER A 64 -12.482 -1.856 -1.931 1.00 0.00 N ATOM 808 CA SER A 64 -11.827 -3.136 -2.150 1.00 0.00 C ATOM 809 C SER A 64 -11.033 -3.089 -3.450 1.00 0.00 C ATOM 810 O SER A 64 -11.555 -2.678 -4.488 1.00 0.00 O ATOM 811 CB SER A 64 -12.862 -4.264 -2.199 1.00 0.00 C ATOM 812 OG SER A 64 -12.254 -5.534 -2.033 1.00 0.00 O ATOM 0 H SER A 64 -13.230 -1.647 -2.592 1.00 0.00 H new ATOM 0 HA SER A 64 -11.145 -3.333 -1.323 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.606 -4.111 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.390 -4.234 -3.152 1.00 0.00 H new ATOM 0 HG SER A 64 -12.941 -6.232 -2.067 1.00 0.00 H new ATOM 818 N THR A 65 -9.775 -3.496 -3.384 1.00 0.00 N ATOM 819 CA THR A 65 -8.908 -3.490 -4.549 1.00 0.00 C ATOM 820 C THR A 65 -7.834 -4.573 -4.427 1.00 0.00 C ATOM 821 O THR A 65 -7.726 -5.242 -3.395 1.00 0.00 O ATOM 822 CB THR A 65 -8.249 -2.101 -4.739 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.689 -1.986 -6.055 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.165 -1.852 -3.692 1.00 0.00 C ATOM 0 H THR A 65 -9.331 -3.836 -2.531 1.00 0.00 H new ATOM 0 HA THR A 65 -9.520 -3.703 -5.425 1.00 0.00 H new ATOM 0 HB THR A 65 -9.027 -1.348 -4.613 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.994 -1.151 -6.468 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.722 -0.869 -3.853 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.605 -1.893 -2.696 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.393 -2.616 -3.779 1.00 0.00 H new ATOM 832 N SER A 66 -7.051 -4.748 -5.481 1.00 0.00 N ATOM 833 CA SER A 66 -6.001 -5.751 -5.498 1.00 0.00 C ATOM 834 C SER A 66 -4.652 -5.110 -5.829 1.00 0.00 C ATOM 835 O SER A 66 -4.569 -4.237 -6.695 1.00 0.00 O ATOM 836 CB SER A 66 -6.359 -6.831 -6.517 1.00 0.00 C ATOM 837 OG SER A 66 -7.677 -7.314 -6.295 1.00 0.00 O ATOM 0 H SER A 66 -7.125 -4.204 -6.340 1.00 0.00 H new ATOM 0 HA SER A 66 -5.915 -6.207 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.280 -6.427 -7.526 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.648 -7.654 -6.447 1.00 0.00 H new ATOM 0 HG SER A 66 -7.889 -8.004 -6.958 1.00 0.00 H new ATOM 843 N LEU A 67 -3.604 -5.530 -5.125 1.00 0.00 N ATOM 844 CA LEU A 67 -2.264 -4.983 -5.336 1.00 0.00 C ATOM 845 C LEU A 67 -1.268 -6.074 -5.701 1.00 0.00 C ATOM 846 O LEU A 67 -1.277 -7.149 -5.117 1.00 0.00 O ATOM 847 CB LEU A 67 -1.776 -4.265 -4.071 1.00 0.00 C ATOM 848 CG LEU A 67 -2.104 -2.771 -3.978 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.640 -2.045 -5.229 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.590 -2.554 -3.753 1.00 0.00 C ATOM 0 H LEU A 67 -3.656 -6.248 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.328 -4.276 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.206 -4.766 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.695 -4.384 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.570 -2.359 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.881 -0.985 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.562 -2.164 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.143 -2.464 -6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.796 -1.486 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.150 -2.984 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.892 -3.037 -2.823 1.00 0.00 H new ATOM 862 N THR A 68 -0.402 -5.794 -6.658 1.00 0.00 N ATOM 863 CA THR A 68 0.605 -6.759 -7.069 1.00 0.00 C ATOM 864 C THR A 68 1.941 -6.446 -6.401 1.00 0.00 C ATOM 865 O THR A 68 2.537 -5.396 -6.645 1.00 0.00 O ATOM 866 CB THR A 68 0.787 -6.752 -8.595 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.325 -6.093 -9.212 1.00 0.00 O ATOM 868 CG2 THR A 68 0.912 -8.167 -9.132 1.00 0.00 C ATOM 0 H THR A 68 -0.374 -4.909 -7.165 1.00 0.00 H new ATOM 0 HA THR A 68 0.264 -7.747 -6.761 1.00 0.00 H new ATOM 0 HB THR A 68 1.705 -6.214 -8.831 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.141 -5.133 -9.278 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.040 -8.136 -10.214 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.776 -8.653 -8.678 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.010 -8.729 -8.889 1.00 0.00 H new ATOM 876 N VAL A 69 2.405 -7.347 -5.549 1.00 0.00 N ATOM 877 CA VAL A 69 3.662 -7.139 -4.845 1.00 0.00 C ATOM 878 C VAL A 69 4.842 -7.726 -5.627 1.00 0.00 C ATOM 879 O VAL A 69 4.855 -8.909 -5.986 1.00 0.00 O ATOM 880 CB VAL A 69 3.616 -7.723 -3.407 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.321 -9.222 -3.417 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.913 -7.425 -2.666 1.00 0.00 C ATOM 0 H VAL A 69 1.934 -8.224 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 69 3.809 -6.062 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 69 2.798 -7.236 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.297 -9.595 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.356 -9.400 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.100 -9.742 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.862 -7.842 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.750 -7.873 -3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.057 -6.346 -2.604 1.00 0.00 H new ATOM 892 N ARG A 70 5.814 -6.876 -5.928 1.00 0.00 N ATOM 893 CA ARG A 70 7.005 -7.299 -6.652 1.00 0.00 C ATOM 894 C ARG A 70 8.155 -7.514 -5.672 1.00 0.00 C ATOM 895 O ARG A 70 8.064 -7.115 -4.509 1.00 0.00 O ATOM 896 CB ARG A 70 7.391 -6.256 -7.704 1.00 0.00 C ATOM 897 CG ARG A 70 6.235 -5.824 -8.597 1.00 0.00 C ATOM 898 CD ARG A 70 5.639 -7.001 -9.357 1.00 0.00 C ATOM 899 NE ARG A 70 4.482 -6.616 -10.162 1.00 0.00 N ATOM 900 CZ ARG A 70 3.932 -7.386 -11.099 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.405 -8.605 -11.330 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.887 -6.936 -11.786 1.00 0.00 N ATOM 0 H ARG A 70 5.801 -5.886 -5.681 1.00 0.00 H new ATOM 0 HA ARG A 70 6.793 -8.238 -7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.796 -5.378 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.188 -6.661 -8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.462 -5.354 -7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.584 -5.073 -9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.401 -7.435 -10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.344 -7.775 -8.649 1.00 0.00 H new ATOM 0 HE ARG A 70 4.069 -5.698 -9.996 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.194 -8.957 -10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.979 -9.190 -12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.512 -6.007 -11.594 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.460 -7.520 -12.505 1.00 0.00 H new ATOM 916 N ARG A 71 9.234 -8.138 -6.141 1.00 0.00 N ATOM 917 CA ARG A 71 10.389 -8.412 -5.291 1.00 0.00 C ATOM 918 C ARG A 71 11.158 -7.122 -4.983 1.00 0.00 C ATOM 919 O ARG A 71 11.555 -6.878 -3.846 1.00 0.00 O ATOM 920 CB ARG A 71 11.309 -9.432 -5.966 1.00 0.00 C ATOM 921 CG ARG A 71 12.238 -10.157 -5.003 1.00 0.00 C ATOM 922 CD ARG A 71 11.496 -11.183 -4.158 1.00 0.00 C ATOM 923 NE ARG A 71 10.933 -12.260 -4.971 1.00 0.00 N ATOM 924 CZ ARG A 71 10.669 -13.482 -4.512 1.00 0.00 C ATOM 925 NH1 ARG A 71 10.946 -13.803 -3.259 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.138 -14.391 -5.320 1.00 0.00 N ATOM 0 H ARG A 71 9.332 -8.462 -7.103 1.00 0.00 H new ATOM 0 HA ARG A 71 10.032 -8.828 -4.349 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.698 -10.168 -6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.909 -8.922 -6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.028 -10.654 -5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.721 -9.431 -4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.177 -11.605 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.696 -10.688 -3.607 1.00 0.00 H new ATOM 0 HE ARG A 71 10.730 -12.063 -5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.365 -13.112 -2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.741 -14.741 -2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.933 -14.153 -6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.935 -15.328 -4.971 1.00 0.00 H new ATOM 940 N SER A 72 11.369 -6.311 -6.008 1.00 0.00 N ATOM 941 CA SER A 72 12.069 -5.042 -5.867 1.00 0.00 C ATOM 942 C SER A 72 11.280 -3.950 -6.585 1.00 0.00 C ATOM 943 O SER A 72 10.678 -4.201 -7.634 1.00 0.00 O ATOM 944 CB SER A 72 13.482 -5.158 -6.443 1.00 0.00 C ATOM 945 OG SER A 72 14.084 -6.390 -6.069 1.00 0.00 O ATOM 0 H SER A 72 11.061 -6.512 -6.959 1.00 0.00 H new ATOM 0 HA SER A 72 12.152 -4.783 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.443 -5.083 -7.530 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.093 -4.328 -6.088 1.00 0.00 H new ATOM 0 HG SER A 72 14.651 -6.251 -5.282 1.00 0.00 H new ATOM 951 N PHE A 73 11.274 -2.747 -6.029 1.00 0.00 N ATOM 952 CA PHE A 73 10.520 -1.650 -6.626 1.00 0.00 C ATOM 953 C PHE A 73 11.099 -0.288 -6.252 1.00 0.00 C ATOM 954 O PHE A 73 11.970 -0.182 -5.393 1.00 0.00 O ATOM 955 CB PHE A 73 9.056 -1.724 -6.169 1.00 0.00 C ATOM 956 CG PHE A 73 8.871 -1.514 -4.686 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.998 -2.572 -3.801 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.570 -0.260 -4.182 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.829 -2.380 -2.443 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.400 -0.062 -2.826 1.00 0.00 C ATOM 961 CZ PHE A 73 8.531 -1.124 -1.955 1.00 0.00 C ATOM 0 H PHE A 73 11.776 -2.505 -5.175 1.00 0.00 H new ATOM 0 HA PHE A 73 10.585 -1.755 -7.709 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.478 -0.973 -6.708 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.648 -2.697 -6.443 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.232 -3.557 -4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.467 0.575 -4.859 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.930 -3.213 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.165 0.922 -2.448 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.401 -0.973 -0.894 1.00 0.00 H new ATOM 971 N GLU A 74 10.610 0.747 -6.919 1.00 0.00 N ATOM 972 CA GLU A 74 11.032 2.112 -6.649 1.00 0.00 C ATOM 973 C GLU A 74 10.144 2.704 -5.559 1.00 0.00 C ATOM 974 O GLU A 74 8.923 2.533 -5.584 1.00 0.00 O ATOM 975 CB GLU A 74 10.957 2.972 -7.916 1.00 0.00 C ATOM 976 CG GLU A 74 11.325 2.227 -9.189 1.00 0.00 C ATOM 977 CD GLU A 74 10.111 1.656 -9.888 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.563 0.638 -9.411 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.688 2.226 -10.914 1.00 0.00 O ATOM 0 H GLU A 74 9.913 0.664 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 74 12.069 2.100 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.946 3.366 -8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.622 3.828 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.847 2.903 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.017 1.420 -8.948 1.00 0.00 H new ATOM 986 N GLY A 75 10.756 3.390 -4.607 1.00 0.00 N ATOM 987 CA GLY A 75 10.007 3.972 -3.517 1.00 0.00 C ATOM 988 C GLY A 75 9.613 5.411 -3.783 1.00 0.00 C ATOM 989 O GLY A 75 10.464 6.256 -4.082 1.00 0.00 O ATOM 0 H GLY A 75 11.762 3.554 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.109 3.380 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.603 3.925 -2.606 1.00 0.00 H new ATOM 993 N PHE A 76 8.324 5.696 -3.656 1.00 0.00 N ATOM 994 CA PHE A 76 7.801 7.030 -3.890 1.00 0.00 C ATOM 995 C PHE A 76 7.047 7.520 -2.666 1.00 0.00 C ATOM 996 O PHE A 76 6.402 6.733 -1.973 1.00 0.00 O ATOM 997 CB PHE A 76 6.868 7.042 -5.101 1.00 0.00 C ATOM 998 CG PHE A 76 7.574 7.195 -6.419 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.429 6.209 -6.888 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.373 8.324 -7.197 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.067 6.347 -8.106 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.005 8.465 -8.416 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.853 7.477 -8.871 1.00 0.00 C ATOM 0 H PHE A 76 7.617 5.011 -3.389 1.00 0.00 H new ATOM 0 HA PHE A 76 8.643 7.694 -4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.295 6.115 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.153 7.857 -4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.598 5.323 -6.294 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.713 9.103 -6.845 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.732 5.573 -8.459 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.836 9.349 -9.013 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.349 7.587 -9.824 1.00 0.00 H new ATOM 1013 N LEU A 77 7.134 8.813 -2.399 1.00 0.00 N ATOM 1014 CA LEU A 77 6.445 9.395 -1.261 1.00 0.00 C ATOM 1015 C LEU A 77 5.001 9.714 -1.633 1.00 0.00 C ATOM 1016 O LEU A 77 4.649 9.745 -2.816 1.00 0.00 O ATOM 1017 CB LEU A 77 7.164 10.658 -0.790 1.00 0.00 C ATOM 1018 CG LEU A 77 8.644 10.480 -0.448 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.268 11.815 -0.083 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.817 9.481 0.688 1.00 0.00 C ATOM 0 H LEU A 77 7.674 9.477 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 77 6.447 8.674 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.077 11.417 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.649 11.043 0.090 1.00 0.00 H new ATOM 0 HG LEU A 77 9.155 10.088 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.321 11.671 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.179 12.501 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.752 12.233 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.877 9.369 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.292 9.841 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.406 8.516 0.390 1.00 0.00 H new ATOM 1032 N PHE A 78 4.181 9.977 -0.624 1.00 0.00 N ATOM 1033 CA PHE A 78 2.762 10.272 -0.825 1.00 0.00 C ATOM 1034 C PHE A 78 2.544 11.571 -1.604 1.00 0.00 C ATOM 1035 O PHE A 78 1.491 11.767 -2.214 1.00 0.00 O ATOM 1036 CB PHE A 78 2.049 10.363 0.527 1.00 0.00 C ATOM 1037 CG PHE A 78 1.005 9.302 0.734 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -0.225 9.392 0.107 1.00 0.00 C ATOM 1039 CD2 PHE A 78 1.256 8.214 1.556 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.187 8.419 0.293 1.00 0.00 C ATOM 1041 CE2 PHE A 78 0.298 7.238 1.748 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.927 7.340 1.115 1.00 0.00 C ATOM 0 H PHE A 78 4.475 9.993 0.353 1.00 0.00 H new ATOM 0 HA PHE A 78 2.344 9.456 -1.415 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.790 10.291 1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.580 11.343 0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.435 10.234 -0.536 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.212 8.129 2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.142 8.502 -0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.505 6.396 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.678 6.578 1.263 1.00 0.00 H new ATOM 1052 N ASP A 79 3.532 12.455 -1.588 1.00 0.00 N ATOM 1053 CA ASP A 79 3.413 13.727 -2.294 1.00 0.00 C ATOM 1054 C ASP A 79 3.675 13.558 -3.788 1.00 0.00 C ATOM 1055 O ASP A 79 3.151 14.319 -4.602 1.00 0.00 O ATOM 1056 CB ASP A 79 4.363 14.776 -1.704 1.00 0.00 C ATOM 1057 CG ASP A 79 5.824 14.440 -1.924 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.381 14.843 -2.966 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.415 13.773 -1.053 1.00 0.00 O ATOM 0 H ASP A 79 4.417 12.319 -1.100 1.00 0.00 H new ATOM 0 HA ASP A 79 2.389 14.077 -2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.147 15.746 -2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.174 14.869 -0.635 1.00 0.00 H new ATOM 1064 N GLY A 80 4.479 12.569 -4.155 1.00 0.00 N ATOM 1065 CA GLY A 80 4.763 12.351 -5.559 1.00 0.00 C ATOM 1066 C GLY A 80 6.245 12.256 -5.861 1.00 0.00 C ATOM 1067 O GLY A 80 6.637 11.753 -6.913 1.00 0.00 O ATOM 0 H GLY A 80 4.935 11.920 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.273 11.433 -5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.332 13.166 -6.141 1.00 0.00 H new ATOM 1071 N THR A 81 7.073 12.748 -4.949 1.00 0.00 N ATOM 1072 CA THR A 81 8.520 12.708 -5.136 1.00 0.00 C ATOM 1073 C THR A 81 9.082 11.336 -4.752 1.00 0.00 C ATOM 1074 O THR A 81 8.628 10.721 -3.786 1.00 0.00 O ATOM 1075 CB THR A 81 9.213 13.807 -4.303 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.498 15.042 -4.449 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.658 14.005 -4.739 1.00 0.00 C ATOM 0 H THR A 81 6.771 13.178 -4.075 1.00 0.00 H new ATOM 0 HA THR A 81 8.722 12.888 -6.192 1.00 0.00 H new ATOM 0 HB THR A 81 9.211 13.493 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.929 15.185 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.117 14.786 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.208 13.073 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.684 14.298 -5.789 1.00 0.00 H new ATOM 1085 N ARG A 82 10.046 10.847 -5.526 1.00 0.00 N ATOM 1086 CA ARG A 82 10.656 9.554 -5.244 1.00 0.00 C ATOM 1087 C ARG A 82 11.834 9.713 -4.290 1.00 0.00 C ATOM 1088 O ARG A 82 12.415 10.795 -4.175 1.00 0.00 O ATOM 1089 CB ARG A 82 11.097 8.850 -6.537 1.00 0.00 C ATOM 1090 CG ARG A 82 12.491 9.218 -7.022 1.00 0.00 C ATOM 1091 CD ARG A 82 12.464 10.394 -7.986 1.00 0.00 C ATOM 1092 NE ARG A 82 11.453 10.236 -9.030 1.00 0.00 N ATOM 1093 CZ ARG A 82 11.638 9.565 -10.172 1.00 0.00 C ATOM 1094 NH1 ARG A 82 12.783 8.936 -10.405 1.00 0.00 N ATOM 1095 NH2 ARG A 82 10.669 9.512 -11.077 1.00 0.00 N ATOM 0 H ARG A 82 10.419 11.323 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 82 9.904 8.928 -4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.056 7.772 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.380 9.085 -7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.120 9.464 -6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.944 8.357 -7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.268 11.311 -7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.445 10.504 -8.448 1.00 0.00 H new ATOM 0 HE ARG A 82 10.542 10.668 -8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.530 8.962 -9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.916 8.426 -11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.782 9.983 -10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.812 9.000 -11.947 1.00 0.00 H new ATOM 1109 N TRP A 83 12.175 8.638 -3.595 1.00 0.00 N ATOM 1110 CA TRP A 83 13.282 8.671 -2.653 1.00 0.00 C ATOM 1111 C TRP A 83 14.410 7.759 -3.118 1.00 0.00 C ATOM 1112 O TRP A 83 15.575 7.992 -2.804 1.00 0.00 O ATOM 1113 CB TRP A 83 12.799 8.259 -1.263 1.00 0.00 C ATOM 1114 CG TRP A 83 13.672 8.764 -0.159 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.721 8.112 0.416 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.569 10.029 0.507 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.275 8.890 1.401 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.588 10.072 1.475 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.720 11.129 0.374 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.773 11.172 2.312 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.905 12.219 1.206 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.927 12.234 2.160 1.00 0.00 C ATOM 0 H TRP A 83 11.703 7.736 -3.665 1.00 0.00 H new ATOM 0 HA TRP A 83 13.667 9.689 -2.603 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.785 8.630 -1.114 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.751 7.171 -1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.066 7.127 0.137 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.070 8.630 1.984 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.933 11.129 -0.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.557 11.184 3.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.249 13.072 1.117 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.050 13.103 2.790 1.00 0.00 H new ATOM 1133 N GLY A 84 14.058 6.732 -3.878 1.00 0.00 N ATOM 1134 CA GLY A 84 15.051 5.802 -4.370 1.00 0.00 C ATOM 1135 C GLY A 84 14.443 4.454 -4.683 1.00 0.00 C ATOM 1136 O GLY A 84 13.253 4.366 -4.993 1.00 0.00 O ATOM 0 H GLY A 84 13.100 6.527 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.518 6.208 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.839 5.683 -3.626 1.00 0.00 H new ATOM 1140 N THR A 85 15.242 3.401 -4.592 1.00 0.00 N ATOM 1141 CA THR A 85 14.765 2.055 -4.871 1.00 0.00 C ATOM 1142 C THR A 85 14.746 1.207 -3.606 1.00 0.00 C ATOM 1143 O THR A 85 15.658 1.284 -2.784 1.00 0.00 O ATOM 1144 CB THR A 85 15.632 1.354 -5.941 1.00 0.00 C ATOM 1145 OG1 THR A 85 17.008 1.750 -5.806 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.140 1.686 -7.344 1.00 0.00 C ATOM 0 H THR A 85 16.225 3.453 -4.327 1.00 0.00 H new ATOM 0 HA THR A 85 13.749 2.154 -5.253 1.00 0.00 H new ATOM 0 HB THR A 85 15.549 0.278 -5.788 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.547 1.298 -6.488 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.767 1.180 -8.079 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.108 1.352 -7.456 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.192 2.763 -7.502 1.00 0.00 H new ATOM 1154 N VAL A 86 13.703 0.406 -3.455 1.00 0.00 N ATOM 1155 CA VAL A 86 13.555 -0.464 -2.299 1.00 0.00 C ATOM 1156 C VAL A 86 13.612 -1.921 -2.740 1.00 0.00 C ATOM 1157 O VAL A 86 13.024 -2.292 -3.759 1.00 0.00 O ATOM 1158 CB VAL A 86 12.228 -0.212 -1.552 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.261 -0.845 -0.170 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.934 1.278 -1.453 1.00 0.00 C ATOM 0 H VAL A 86 12.938 0.341 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 86 14.375 -0.242 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 86 11.425 -0.678 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.316 -0.656 0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.412 -1.920 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.078 -0.414 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.994 1.429 -0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.740 1.773 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.857 1.701 -2.455 1.00 0.00 H new ATOM 1170 N ASP A 87 14.323 -2.740 -1.984 1.00 0.00 N ATOM 1171 CA ASP A 87 14.455 -4.146 -2.323 1.00 0.00 C ATOM 1172 C ASP A 87 13.861 -5.031 -1.242 1.00 0.00 C ATOM 1173 O ASP A 87 14.264 -4.970 -0.082 1.00 0.00 O ATOM 1174 CB ASP A 87 15.922 -4.514 -2.533 1.00 0.00 C ATOM 1175 CG ASP A 87 16.093 -5.963 -2.939 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.951 -6.266 -4.146 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.360 -6.810 -2.060 1.00 0.00 O ATOM 0 H ASP A 87 14.815 -2.458 -1.136 1.00 0.00 H new ATOM 0 HA ASP A 87 13.906 -4.311 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.351 -3.870 -3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.477 -4.327 -1.614 1.00 0.00 H new ATOM 1182 N CYS A 88 12.904 -5.856 -1.627 1.00 0.00 N ATOM 1183 CA CYS A 88 12.267 -6.768 -0.693 1.00 0.00 C ATOM 1184 C CYS A 88 12.742 -8.195 -0.952 1.00 0.00 C ATOM 1185 O CYS A 88 12.050 -9.168 -0.649 1.00 0.00 O ATOM 1186 CB CYS A 88 10.742 -6.672 -0.799 1.00 0.00 C ATOM 1187 SG CYS A 88 10.084 -5.010 -0.426 1.00 0.00 S ATOM 0 H CYS A 88 12.550 -5.913 -2.582 1.00 0.00 H new ATOM 0 HA CYS A 88 12.550 -6.487 0.321 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.438 -6.956 -1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.293 -7.393 -0.116 1.00 0.00 H new ATOM 1192 N THR A 89 13.934 -8.307 -1.524 1.00 0.00 N ATOM 1193 CA THR A 89 14.530 -9.602 -1.808 1.00 0.00 C ATOM 1194 C THR A 89 15.312 -10.072 -0.591 1.00 0.00 C ATOM 1195 O THR A 89 15.178 -11.216 -0.154 1.00 0.00 O ATOM 1196 CB THR A 89 15.473 -9.544 -3.027 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.905 -8.704 -4.042 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.715 -10.936 -3.590 1.00 0.00 C ATOM 0 H THR A 89 14.508 -7.511 -1.801 1.00 0.00 H new ATOM 0 HA THR A 89 13.725 -10.299 -2.039 1.00 0.00 H new ATOM 0 HB THR A 89 16.428 -9.130 -2.704 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.553 -8.015 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.383 -10.870 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.170 -11.564 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.766 -11.373 -3.901 1.00 0.00 H new ATOM 1206 N THR A 90 16.122 -9.172 -0.045 1.00 0.00 N ATOM 1207 CA THR A 90 16.911 -9.472 1.138 1.00 0.00 C ATOM 1208 C THR A 90 16.210 -8.932 2.386 1.00 0.00 C ATOM 1209 O THR A 90 16.450 -9.392 3.504 1.00 0.00 O ATOM 1210 CB THR A 90 18.342 -8.888 1.029 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.163 -9.373 2.098 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.324 -7.364 1.052 1.00 0.00 C ATOM 0 H THR A 90 16.248 -8.226 -0.406 1.00 0.00 H new ATOM 0 HA THR A 90 17.001 -10.555 1.217 1.00 0.00 H new ATOM 0 HB THR A 90 18.757 -9.214 0.075 1.00 0.00 H new ATOM 0 HG1 THR A 90 20.064 -8.997 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.344 -6.987 0.974 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.735 -6.994 0.213 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.880 -7.019 1.986 1.00 0.00 H new ATOM 1220 N ALA A 91 15.319 -7.968 2.176 1.00 0.00 N ATOM 1221 CA ALA A 91 14.572 -7.357 3.264 1.00 0.00 C ATOM 1222 C ALA A 91 13.099 -7.737 3.180 1.00 0.00 C ATOM 1223 O ALA A 91 12.697 -8.490 2.293 1.00 0.00 O ATOM 1224 CB ALA A 91 14.730 -5.848 3.221 1.00 0.00 C ATOM 0 H ALA A 91 15.097 -7.593 1.254 1.00 0.00 H new ATOM 0 HA ALA A 91 14.969 -7.726 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.167 -5.400 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.784 -5.590 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.352 -5.470 2.271 1.00 0.00 H new ATOM 1230 N ALA A 92 12.301 -7.214 4.100 1.00 0.00 N ATOM 1231 CA ALA A 92 10.877 -7.507 4.125 1.00 0.00 C ATOM 1232 C ALA A 92 10.087 -6.443 3.370 1.00 0.00 C ATOM 1233 O ALA A 92 10.589 -5.352 3.106 1.00 0.00 O ATOM 1234 CB ALA A 92 10.391 -7.621 5.562 1.00 0.00 C ATOM 0 H ALA A 92 12.616 -6.585 4.838 1.00 0.00 H new ATOM 0 HA ALA A 92 10.713 -8.461 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.323 -7.841 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.930 -8.424 6.066 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.571 -6.681 6.083 1.00 0.00 H new ATOM 1240 N CYS A 93 8.853 -6.774 3.020 1.00 0.00 N ATOM 1241 CA CYS A 93 7.977 -5.865 2.297 1.00 0.00 C ATOM 1242 C CYS A 93 6.661 -5.730 3.052 1.00 0.00 C ATOM 1243 O CYS A 93 6.322 -6.594 3.859 1.00 0.00 O ATOM 1244 CB CYS A 93 7.720 -6.412 0.890 1.00 0.00 C ATOM 1245 SG CYS A 93 8.064 -5.234 -0.456 1.00 0.00 S ATOM 0 H CYS A 93 8.431 -7.679 3.229 1.00 0.00 H new ATOM 0 HA CYS A 93 8.448 -4.885 2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.333 -7.301 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.679 -6.728 0.822 1.00 0.00 H new ATOM 1250 N GLN A 94 5.922 -4.656 2.817 1.00 0.00 N ATOM 1251 CA GLN A 94 4.650 -4.471 3.497 1.00 0.00 C ATOM 1252 C GLN A 94 3.632 -3.770 2.599 1.00 0.00 C ATOM 1253 O GLN A 94 3.965 -3.262 1.526 1.00 0.00 O ATOM 1254 CB GLN A 94 4.840 -3.706 4.814 1.00 0.00 C ATOM 1255 CG GLN A 94 5.232 -2.248 4.650 1.00 0.00 C ATOM 1256 CD GLN A 94 5.510 -1.583 5.982 1.00 0.00 C ATOM 1257 OE1 GLN A 94 6.649 -1.547 6.449 1.00 0.00 O ATOM 1258 NE2 GLN A 94 4.469 -1.060 6.609 1.00 0.00 N ATOM 0 H GLN A 94 6.176 -3.909 2.170 1.00 0.00 H new ATOM 0 HA GLN A 94 4.255 -5.459 3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.913 -3.757 5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.606 -4.210 5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.118 -2.179 4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.433 -1.713 4.137 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.541 -1.111 6.188 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.594 -0.606 7.514 1.00 0.00 H new ATOM 1267 N VAL A 95 2.386 -3.768 3.041 1.00 0.00 N ATOM 1268 CA VAL A 95 1.300 -3.148 2.298 1.00 0.00 C ATOM 1269 C VAL A 95 0.969 -1.775 2.872 1.00 0.00 C ATOM 1270 O VAL A 95 0.739 -1.643 4.076 1.00 0.00 O ATOM 1271 CB VAL A 95 0.029 -4.023 2.327 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.999 -3.528 1.316 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.375 -5.482 2.070 1.00 0.00 C ATOM 0 H VAL A 95 2.098 -4.194 3.922 1.00 0.00 H new ATOM 0 HA VAL A 95 1.635 -3.043 1.266 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.411 -3.944 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.885 -4.162 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.277 -2.501 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.572 -3.566 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.535 -6.082 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.846 -5.577 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.062 -5.834 2.839 1.00 0.00 H new ATOM 1283 N GLY A 96 0.954 -0.764 2.013 1.00 0.00 N ATOM 1284 CA GLY A 96 0.643 0.584 2.448 1.00 0.00 C ATOM 1285 C GLY A 96 -0.723 1.019 1.974 1.00 0.00 C ATOM 1286 O GLY A 96 -1.006 0.988 0.777 1.00 0.00 O ATOM 0 H GLY A 96 1.153 -0.855 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.685 0.635 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.397 1.273 2.068 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.576 1.413 2.910 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.928 1.830 2.580 1.00 0.00 C ATOM 1292 C LEU A 97 -3.348 3.025 3.427 1.00 0.00 C ATOM 1293 O LEU A 97 -3.460 2.917 4.648 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.909 0.669 2.800 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.310 -0.597 3.432 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.276 -0.484 4.951 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.093 -1.831 3.010 1.00 0.00 C ATOM 0 H LEU A 97 -1.353 1.452 3.905 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.946 2.123 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.723 1.020 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.348 0.401 1.839 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.285 -0.698 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.848 -1.393 5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.666 0.372 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.290 -0.351 5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.652 -2.716 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.129 -1.733 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.060 -1.930 1.925 1.00 0.00 H new ATOM 1309 N SER A 98 -3.561 4.166 2.787 1.00 0.00 N ATOM 1310 CA SER A 98 -3.976 5.377 3.487 1.00 0.00 C ATOM 1311 C SER A 98 -4.718 6.307 2.536 1.00 0.00 C ATOM 1312 O SER A 98 -4.741 6.077 1.329 1.00 0.00 O ATOM 1313 CB SER A 98 -2.762 6.096 4.086 1.00 0.00 C ATOM 1314 OG SER A 98 -2.141 5.306 5.089 1.00 0.00 O ATOM 0 H SER A 98 -3.453 4.280 1.779 1.00 0.00 H new ATOM 0 HA SER A 98 -4.646 5.093 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.043 6.319 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.074 7.050 4.512 1.00 0.00 H new ATOM 0 HG SER A 98 -2.607 4.447 5.164 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.341 7.338 3.088 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.073 8.309 2.283 1.00 0.00 C ATOM 1322 C ASP A 99 -5.130 9.400 1.782 1.00 0.00 C ATOM 1323 O ASP A 99 -3.919 9.314 1.979 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.207 8.928 3.105 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.744 10.087 3.965 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.862 9.885 4.830 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.258 11.211 3.777 1.00 0.00 O ATOM 0 H ASP A 99 -5.355 7.525 4.091 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.502 7.796 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.992 9.272 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.648 8.162 3.743 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.690 10.433 1.154 1.00 0.00 N ATOM 1333 CA ALA A 100 -4.895 11.539 0.621 1.00 0.00 C ATOM 1334 C ALA A 100 -4.102 12.248 1.720 1.00 0.00 C ATOM 1335 O ALA A 100 -3.006 12.760 1.476 1.00 0.00 O ATOM 1336 CB ALA A 100 -5.797 12.526 -0.101 1.00 0.00 C ATOM 0 H ALA A 100 -6.694 10.527 1.001 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.176 11.124 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.197 13.346 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.305 12.021 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.537 12.920 0.596 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.660 12.283 2.926 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.997 12.921 4.054 1.00 0.00 C ATOM 1344 C ALA A 101 -2.877 12.034 4.578 1.00 0.00 C ATOM 1345 O ALA A 101 -1.784 12.509 4.877 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.995 13.231 5.160 1.00 0.00 C ATOM 0 H ALA A 101 -5.569 11.877 3.146 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.565 13.862 3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.478 13.707 5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.764 13.902 4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.458 12.306 5.502 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.154 10.742 4.680 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.154 9.808 5.150 1.00 0.00 C ATOM 1354 C GLY A 102 -2.564 9.097 6.426 1.00 0.00 C ATOM 1355 O GLY A 102 -1.726 8.830 7.290 1.00 0.00 O ATOM 0 H GLY A 102 -4.055 10.325 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.962 9.068 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.219 10.341 5.321 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.853 8.804 6.555 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.361 8.106 7.732 1.00 0.00 C ATOM 1361 C ASN A 103 -5.324 7.007 7.318 1.00 0.00 C ATOM 1362 O ASN A 103 -5.802 6.985 6.179 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.068 9.066 8.694 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.145 10.130 9.252 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.406 9.886 10.205 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.197 11.323 8.675 1.00 0.00 N ATOM 0 H ASN A 103 -4.564 9.038 5.862 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.506 7.670 8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.897 9.547 8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.497 8.496 9.518 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.609 12.082 9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.825 11.481 7.887 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.615 6.105 8.245 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.525 5.017 7.963 1.00 0.00 C ATOM 1375 C GLY A 104 -6.089 3.724 8.622 1.00 0.00 C ATOM 1376 O GLY A 104 -5.530 3.751 9.723 1.00 0.00 O ATOM 0 H GLY A 104 -5.234 6.109 9.191 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.524 5.281 8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.590 4.870 6.885 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.327 2.574 7.972 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.953 1.264 8.518 1.00 0.00 C ATOM 1382 C PRO A 105 -4.444 1.112 8.687 1.00 0.00 C ATOM 1383 O PRO A 105 -3.659 1.716 7.956 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.487 0.267 7.482 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.646 1.055 6.226 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.979 2.457 6.653 1.00 0.00 C ATOM 0 HA PRO A 105 -6.364 1.112 9.516 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.795 -0.563 7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.437 -0.161 7.801 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.731 1.035 5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.437 0.639 5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.595 3.194 5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.056 2.612 6.721 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.049 0.306 9.663 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.642 0.070 9.940 1.00 0.00 C ATOM 1396 C GLU A 106 -2.032 -0.831 8.874 1.00 0.00 C ATOM 1397 O GLU A 106 -2.652 -1.807 8.446 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.481 -0.556 11.326 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.062 -0.495 11.864 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.924 -1.178 13.206 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.718 -2.407 13.230 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -1.024 -0.492 14.241 1.00 0.00 O ATOM 0 H GLU A 106 -4.688 -0.197 10.278 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.116 1.024 9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.147 -0.048 12.024 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.799 -1.598 11.283 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.385 -0.964 11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.756 0.547 11.957 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.819 -0.494 8.453 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.130 -1.265 7.434 1.00 0.00 C ATOM 1411 C GLY A 107 0.136 -2.697 7.859 1.00 0.00 C ATOM 1412 O GLY A 107 0.256 -2.986 9.052 1.00 0.00 O ATOM 0 H GLY A 107 -0.295 0.308 8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.726 -1.267 6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.817 -0.780 7.196 1.00 0.00 H new ATOM 1416 N VAL A 108 0.226 -3.594 6.884 1.00 0.00 N ATOM 1417 CA VAL A 108 0.466 -5.005 7.159 1.00 0.00 C ATOM 1418 C VAL A 108 1.785 -5.446 6.536 1.00 0.00 C ATOM 1419 O VAL A 108 2.038 -5.184 5.360 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.670 -5.899 6.606 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.527 -7.328 7.119 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.035 -5.329 6.968 1.00 0.00 C ATOM 0 H VAL A 108 0.136 -3.368 5.893 1.00 0.00 H new ATOM 0 HA VAL A 108 0.504 -5.120 8.242 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.590 -5.916 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.335 -7.941 6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.431 -7.736 6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.575 -7.330 8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.817 -5.975 6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.130 -5.273 8.052 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.137 -4.331 6.543 1.00 0.00 H new ATOM 1432 N ALA A 109 2.626 -6.096 7.326 1.00 0.00 N ATOM 1433 CA ALA A 109 3.910 -6.574 6.838 1.00 0.00 C ATOM 1434 C ALA A 109 3.772 -7.975 6.256 1.00 0.00 C ATOM 1435 O ALA A 109 3.065 -8.819 6.813 1.00 0.00 O ATOM 1436 CB ALA A 109 4.942 -6.560 7.957 1.00 0.00 C ATOM 0 H ALA A 109 2.442 -6.304 8.307 1.00 0.00 H new ATOM 0 HA ALA A 109 4.250 -5.905 6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.897 -6.921 7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.061 -5.543 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.608 -7.207 8.768 1.00 0.00 H new ATOM 1442 N ILE A 110 4.441 -8.222 5.140 1.00 0.00 N ATOM 1443 CA ILE A 110 4.386 -9.523 4.489 1.00 0.00 C ATOM 1444 C ILE A 110 5.794 -10.042 4.220 1.00 0.00 C ATOM 1445 O ILE A 110 6.771 -9.304 4.338 1.00 0.00 O ATOM 1446 CB ILE A 110 3.597 -9.472 3.159 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.108 -8.333 2.270 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.108 -9.315 3.433 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.396 -8.224 0.938 1.00 0.00 C ATOM 0 H ILE A 110 5.030 -7.537 4.665 1.00 0.00 H new ATOM 0 HA ILE A 110 3.866 -10.199 5.168 1.00 0.00 H new ATOM 0 HB ILE A 110 3.753 -10.411 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.999 -7.390 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.173 -8.476 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.566 -9.281 2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.755 -10.161 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.935 -8.391 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.815 -7.395 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.526 -9.151 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.334 -8.048 1.107 1.00 0.00 H new ATOM 1461 N SER A 111 5.900 -11.311 3.869 1.00 0.00 N ATOM 1462 CA SER A 111 7.192 -11.914 3.589 1.00 0.00 C ATOM 1463 C SER A 111 7.068 -12.956 2.489 1.00 0.00 C ATOM 1464 O SER A 111 6.024 -13.595 2.347 1.00 0.00 O ATOM 1465 CB SER A 111 7.762 -12.564 4.850 1.00 0.00 C ATOM 1466 OG SER A 111 7.628 -11.709 5.977 1.00 0.00 O ATOM 0 H SER A 111 5.107 -11.945 3.771 1.00 0.00 H new ATOM 0 HA SER A 111 7.869 -11.127 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.246 -13.505 5.041 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.814 -12.803 4.695 1.00 0.00 H new ATOM 0 HG SER A 111 7.999 -12.151 6.769 1.00 0.00 H new ATOM 1472 N PHE A 112 8.128 -13.117 1.716 1.00 0.00 N ATOM 1473 CA PHE A 112 8.142 -14.089 0.632 1.00 0.00 C ATOM 1474 C PHE A 112 8.721 -15.404 1.128 1.00 0.00 C ATOM 1475 O PHE A 112 9.306 -15.455 2.213 1.00 0.00 O ATOM 1476 CB PHE A 112 8.961 -13.571 -0.551 1.00 0.00 C ATOM 1477 CG PHE A 112 8.494 -12.239 -1.077 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.307 -12.131 -1.790 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.247 -11.098 -0.862 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.883 -10.907 -2.276 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.825 -9.873 -1.346 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.645 -9.777 -2.054 1.00 0.00 C ATOM 0 H PHE A 112 8.993 -12.587 1.818 1.00 0.00 H new ATOM 0 HA PHE A 112 7.117 -14.249 0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.005 -13.486 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.921 -14.304 -1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.708 -13.012 -1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.173 -11.165 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.958 -10.835 -2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.421 -8.990 -1.169 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.318 -8.820 -2.434 1.00 0.00 H new ATOM 1492 N ASN A 113 8.568 -16.464 0.349 1.00 0.00 N ATOM 1493 CA ASN A 113 9.087 -17.767 0.744 1.00 0.00 C ATOM 1494 C ASN A 113 10.498 -17.952 0.203 1.00 0.00 C ATOM 1495 O ASN A 113 11.356 -18.468 0.945 1.00 0.00 O ATOM 1496 CB ASN A 113 8.170 -18.908 0.270 1.00 0.00 C ATOM 1497 CG ASN A 113 7.985 -18.934 -1.235 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.800 -19.495 -1.968 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.898 -18.348 -1.707 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.754 -17.551 -0.952 1.00 0.00 O ATOM 0 H ASN A 113 8.093 -16.450 -0.553 1.00 0.00 H new ATOM 0 HA ASN A 113 9.117 -17.803 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.587 -19.861 0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.196 -18.806 0.748 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.712 -18.351 -2.710 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.246 -17.893 -1.068 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.189 5.896 4.393 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.716 7.121 4.001 1.00 20.00 C HETATM 1510 C4A FLN A 114 4.967 7.424 2.650 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.653 6.395 1.616 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.100 5.132 2.106 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.892 4.930 3.433 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.344 3.733 4.160 1.00 20.00 C HETATM 1515 C2' FLN A 114 2.163 3.837 4.904 1.00 20.00 C HETATM 1516 C3' FLN A 114 1.665 2.717 5.576 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.303 1.469 5.544 1.00 20.00 C HETATM 1518 C5' FLN A 114 3.482 1.413 4.788 1.00 20.00 C HETATM 1519 C6' FLN A 114 3.999 2.510 4.110 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.853 6.611 0.414 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.507 8.694 2.319 1.00 20.00 C HETATM 1522 C6 FLN A 114 5.780 9.622 3.338 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.513 9.280 4.682 1.00 20.00 C HETATM 1524 C8 FLN A 114 4.984 8.034 5.015 1.00 20.00 C HETATM 0 H8 FLN A 114 4.783 7.779 6.056 1.00 20.00 H new HETATM 0 H7 FLN A 114 5.724 10.002 5.471 1.00 20.00 H new HETATM 0 H6' FLN A 114 4.921 2.410 3.537 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.195 10.600 3.093 1.00 20.00 H new HETATM 0 H5' FLN A 114 4.018 0.466 4.729 1.00 20.00 H new HETATM 0 H5 FLN A 114 5.709 8.948 1.279 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.909 0.601 6.072 1.00 20.00 H new HETATM 0 H3' FLN A 114 0.743 2.818 6.148 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.852 4.343 1.397 1.00 20.00 H new HETATM 0 H2' FLN A 114 1.633 4.788 4.959 1.00 20.00 H new