USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=27 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 36 GLN : amide:sc= 2.11 K(o=-0.19,f=-9.7!) USER MOD Set 1.2: A 48 ASN : amide:sc= -2.3! C(o=-0.19!,f=-9.1!) USER MOD Set 2.1: A 14 SER OG : rot -122:sc= 0.443 USER MOD Set 2.2: A 113 ASN : amide:sc= 0.807 K(o=1.3,f=0.42) USER MOD Single : A 1 ALA N :NH3+ -104:sc= 0.102 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 54:sc= 1.24 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -153:sc= -1.34 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 107:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.429 K(o=-0.43,f=-0.93) USER MOD Single : A 30 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0351 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0823 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00283 K(o=-0.0028,f=-0.7) USER MOD Single : A 62 SER OG : rot 79:sc= 0.157 USER MOD Single : A 64 SER OG : rot 15:sc= 0.577 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -78:sc= 1.26 USER MOD Single : A 81 THR OG1 : rot 110:sc= 0.86 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 89 THR OG1 : rot 107:sc= 0.149 USER MOD Single : A 90 THR OG1 : rot -47:sc= 0.0662 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.158 F(o=-0.87,f=-0.16) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0561 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.457 4.995 15.514 1.00 0.00 N ATOM 2 CA ALA A 1 -17.853 3.644 15.051 1.00 0.00 C ATOM 3 C ALA A 1 -16.627 2.760 14.856 1.00 0.00 C ATOM 4 O ALA A 1 -15.493 3.237 14.909 1.00 0.00 O ATOM 5 CB ALA A 1 -18.636 3.734 13.750 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.658 5.086 16.530 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.440 5.135 15.348 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.995 5.714 14.989 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.488 3.198 15.816 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.918 2.733 13.425 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.534 4.331 13.906 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.017 4.203 12.985 1.00 0.00 H new ATOM 11 N ALA A 2 -16.860 1.475 14.620 1.00 0.00 N ATOM 12 CA ALA A 2 -15.783 0.524 14.411 1.00 0.00 C ATOM 13 C ALA A 2 -15.739 0.074 12.956 1.00 0.00 C ATOM 14 O ALA A 2 -16.674 -0.559 12.467 1.00 0.00 O ATOM 15 CB ALA A 2 -15.955 -0.674 15.333 1.00 0.00 C ATOM 0 H ALA A 2 -17.794 1.068 14.569 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.838 1.014 14.646 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.142 -1.380 15.167 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.940 -0.340 16.370 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.907 -1.161 15.123 1.00 0.00 H new ATOM 21 N PRO A 3 -14.657 0.401 12.242 1.00 0.00 N ATOM 22 CA PRO A 3 -14.499 0.031 10.836 1.00 0.00 C ATOM 23 C PRO A 3 -14.147 -1.448 10.650 1.00 0.00 C ATOM 24 O PRO A 3 -13.718 -2.121 11.590 1.00 0.00 O ATOM 25 CB PRO A 3 -13.348 0.924 10.371 1.00 0.00 C ATOM 26 CG PRO A 3 -12.532 1.153 11.597 1.00 0.00 C ATOM 27 CD PRO A 3 -13.502 1.169 12.748 1.00 0.00 C ATOM 0 HA PRO A 3 -15.421 0.167 10.271 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.762 0.441 9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.716 1.863 9.959 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.790 0.365 11.724 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.988 2.095 11.533 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.074 0.709 13.639 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.785 2.186 13.019 1.00 0.00 H new ATOM 35 N THR A 4 -14.334 -1.942 9.436 1.00 0.00 N ATOM 36 CA THR A 4 -14.046 -3.331 9.111 1.00 0.00 C ATOM 37 C THR A 4 -12.785 -3.439 8.257 1.00 0.00 C ATOM 38 O THR A 4 -12.811 -3.165 7.054 1.00 0.00 O ATOM 39 CB THR A 4 -15.223 -3.973 8.350 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.467 -3.581 8.949 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.114 -5.493 8.342 1.00 0.00 C ATOM 0 H THR A 4 -14.688 -1.395 8.651 1.00 0.00 H new ATOM 0 HA THR A 4 -13.892 -3.861 10.051 1.00 0.00 H new ATOM 0 HB THR A 4 -15.187 -3.622 7.319 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.210 -3.991 8.459 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.959 -5.915 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.184 -5.789 7.856 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.121 -5.864 9.367 1.00 0.00 H new ATOM 49 N ALA A 5 -11.686 -3.829 8.883 1.00 0.00 N ATOM 50 CA ALA A 5 -10.419 -3.974 8.181 1.00 0.00 C ATOM 51 C ALA A 5 -10.201 -5.425 7.758 1.00 0.00 C ATOM 52 O ALA A 5 -9.505 -6.187 8.429 1.00 0.00 O ATOM 53 CB ALA A 5 -9.273 -3.487 9.056 1.00 0.00 C ATOM 0 H ALA A 5 -11.645 -4.051 9.878 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.448 -3.361 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.331 -3.601 8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.425 -2.436 9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.241 -4.074 9.974 1.00 0.00 H new ATOM 59 N THR A 6 -10.809 -5.801 6.645 1.00 0.00 N ATOM 60 CA THR A 6 -10.701 -7.158 6.130 1.00 0.00 C ATOM 61 C THR A 6 -9.721 -7.234 4.960 1.00 0.00 C ATOM 62 O THR A 6 -10.119 -7.164 3.795 1.00 0.00 O ATOM 63 CB THR A 6 -12.078 -7.672 5.680 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.872 -6.570 5.223 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.795 -8.388 6.815 1.00 0.00 C ATOM 0 H THR A 6 -11.387 -5.181 6.077 1.00 0.00 H new ATOM 0 HA THR A 6 -10.324 -7.786 6.937 1.00 0.00 H new ATOM 0 HB THR A 6 -11.932 -8.385 4.869 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.380 -6.076 4.534 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.766 -8.740 6.467 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.197 -9.238 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.936 -7.699 7.648 1.00 0.00 H new ATOM 73 N VAL A 7 -8.441 -7.365 5.273 1.00 0.00 N ATOM 74 CA VAL A 7 -7.412 -7.444 4.243 1.00 0.00 C ATOM 75 C VAL A 7 -6.802 -8.839 4.192 1.00 0.00 C ATOM 76 O VAL A 7 -6.782 -9.556 5.193 1.00 0.00 O ATOM 77 CB VAL A 7 -6.290 -6.403 4.467 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.848 -4.991 4.400 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.577 -6.635 5.793 1.00 0.00 C ATOM 0 H VAL A 7 -8.089 -7.419 6.229 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.900 -7.225 3.293 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.558 -6.525 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.043 -4.274 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.295 -4.822 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.607 -4.863 5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.794 -5.887 5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.293 -6.554 6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.132 -7.630 5.798 1.00 0.00 H new ATOM 89 N THR A 8 -6.314 -9.224 3.024 1.00 0.00 N ATOM 90 CA THR A 8 -5.704 -10.532 2.845 1.00 0.00 C ATOM 91 C THR A 8 -4.189 -10.406 2.666 1.00 0.00 C ATOM 92 O THR A 8 -3.717 -9.979 1.610 1.00 0.00 O ATOM 93 CB THR A 8 -6.306 -11.264 1.628 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.743 -11.236 1.695 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.826 -12.706 1.573 1.00 0.00 C ATOM 0 H THR A 8 -6.329 -8.647 2.183 1.00 0.00 H new ATOM 0 HA THR A 8 -5.911 -11.114 3.743 1.00 0.00 H new ATOM 0 HB THR A 8 -5.975 -10.751 0.725 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.116 -11.702 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.263 -13.202 0.707 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.739 -12.725 1.492 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.131 -13.226 2.481 1.00 0.00 H new ATOM 103 N PRO A 9 -3.407 -10.747 3.705 1.00 0.00 N ATOM 104 CA PRO A 9 -1.944 -10.673 3.648 1.00 0.00 C ATOM 105 C PRO A 9 -1.337 -11.795 2.805 1.00 0.00 C ATOM 106 O PRO A 9 -1.885 -12.893 2.721 1.00 0.00 O ATOM 107 CB PRO A 9 -1.526 -10.818 5.114 1.00 0.00 C ATOM 108 CG PRO A 9 -2.624 -11.604 5.745 1.00 0.00 C ATOM 109 CD PRO A 9 -3.887 -11.229 5.016 1.00 0.00 C ATOM 0 HA PRO A 9 -1.600 -9.750 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.569 -11.332 5.204 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.411 -9.845 5.591 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.432 -12.674 5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.706 -11.374 6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.555 -12.083 4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.441 -10.456 5.548 1.00 0.00 H new ATOM 117 N SER A 10 -0.206 -11.509 2.177 1.00 0.00 N ATOM 118 CA SER A 10 0.483 -12.484 1.347 1.00 0.00 C ATOM 119 C SER A 10 1.726 -13.010 2.066 1.00 0.00 C ATOM 120 O SER A 10 2.827 -13.015 1.516 1.00 0.00 O ATOM 121 CB SER A 10 0.860 -11.838 0.014 1.00 0.00 C ATOM 122 OG SER A 10 -0.284 -11.280 -0.609 1.00 0.00 O ATOM 0 H SER A 10 0.257 -10.601 2.228 1.00 0.00 H new ATOM 0 HA SER A 10 -0.178 -13.330 1.156 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.607 -11.061 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.312 -12.582 -0.642 1.00 0.00 H new ATOM 0 HG SER A 10 -0.152 -11.263 -1.580 1.00 0.00 H new ATOM 128 N SER A 11 1.537 -13.457 3.297 1.00 0.00 N ATOM 129 CA SER A 11 2.634 -13.977 4.097 1.00 0.00 C ATOM 130 C SER A 11 3.020 -15.382 3.644 1.00 0.00 C ATOM 131 O SER A 11 2.171 -16.272 3.550 1.00 0.00 O ATOM 132 CB SER A 11 2.232 -13.984 5.571 1.00 0.00 C ATOM 133 OG SER A 11 1.593 -12.766 5.923 1.00 0.00 O ATOM 0 H SER A 11 0.631 -13.470 3.765 1.00 0.00 H new ATOM 0 HA SER A 11 3.503 -13.332 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.562 -14.821 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.115 -14.130 6.193 1.00 0.00 H new ATOM 0 HG SER A 11 1.342 -12.790 6.870 1.00 0.00 H new ATOM 139 N GLY A 12 4.298 -15.571 3.338 1.00 0.00 N ATOM 140 CA GLY A 12 4.778 -16.869 2.905 1.00 0.00 C ATOM 141 C GLY A 12 4.566 -17.091 1.423 1.00 0.00 C ATOM 142 O GLY A 12 4.751 -18.198 0.918 1.00 0.00 O ATOM 0 H GLY A 12 5.013 -14.845 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.840 -16.958 3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.264 -17.650 3.465 1.00 0.00 H new ATOM 146 N LEU A 13 4.184 -16.036 0.720 1.00 0.00 N ATOM 147 CA LEU A 13 3.942 -16.128 -0.710 1.00 0.00 C ATOM 148 C LEU A 13 5.102 -15.509 -1.475 1.00 0.00 C ATOM 149 O LEU A 13 5.863 -14.720 -0.920 1.00 0.00 O ATOM 150 CB LEU A 13 2.613 -15.457 -1.073 1.00 0.00 C ATOM 151 CG LEU A 13 1.393 -16.013 -0.328 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.111 -15.391 -0.847 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.330 -17.524 -0.458 1.00 0.00 C ATOM 0 H LEU A 13 4.035 -15.108 1.116 1.00 0.00 H new ATOM 0 HA LEU A 13 3.870 -17.178 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.692 -14.389 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.448 -15.564 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 13 1.499 -15.756 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.739 -15.802 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.146 -14.311 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.003 -15.612 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.458 -17.899 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.254 -17.796 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.233 -17.964 -0.034 1.00 0.00 H new ATOM 165 N SER A 14 5.242 -15.875 -2.738 1.00 0.00 N ATOM 166 CA SER A 14 6.333 -15.376 -3.565 1.00 0.00 C ATOM 167 C SER A 14 5.970 -14.039 -4.217 1.00 0.00 C ATOM 168 O SER A 14 4.882 -13.506 -3.994 1.00 0.00 O ATOM 169 CB SER A 14 6.676 -16.420 -4.629 1.00 0.00 C ATOM 170 OG SER A 14 6.254 -17.717 -4.224 1.00 0.00 O ATOM 0 H SER A 14 4.612 -16.519 -3.217 1.00 0.00 H new ATOM 0 HA SER A 14 7.203 -15.203 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.197 -16.155 -5.571 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.751 -16.423 -4.808 1.00 0.00 H new ATOM 0 HG SER A 14 7.025 -18.322 -4.209 1.00 0.00 H new ATOM 176 N ASP A 15 6.886 -13.495 -5.012 1.00 0.00 N ATOM 177 CA ASP A 15 6.654 -12.225 -5.688 1.00 0.00 C ATOM 178 C ASP A 15 5.651 -12.402 -6.823 1.00 0.00 C ATOM 179 O ASP A 15 5.564 -13.471 -7.431 1.00 0.00 O ATOM 180 CB ASP A 15 7.968 -11.651 -6.229 1.00 0.00 C ATOM 181 CG ASP A 15 8.512 -12.438 -7.403 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.036 -13.546 -7.185 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.422 -11.949 -8.549 1.00 0.00 O ATOM 0 H ASP A 15 7.796 -13.915 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 15 6.243 -11.523 -4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.809 -10.616 -6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.710 -11.638 -5.431 1.00 0.00 H new ATOM 188 N GLY A 16 4.888 -11.353 -7.090 1.00 0.00 N ATOM 189 CA GLY A 16 3.894 -11.406 -8.141 1.00 0.00 C ATOM 190 C GLY A 16 2.522 -11.733 -7.594 1.00 0.00 C ATOM 191 O GLY A 16 1.541 -11.779 -8.334 1.00 0.00 O ATOM 0 H GLY A 16 4.940 -10.463 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.861 -10.448 -8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.181 -12.157 -8.877 1.00 0.00 H new ATOM 195 N THR A 17 2.455 -11.954 -6.288 1.00 0.00 N ATOM 196 CA THR A 17 1.202 -12.283 -5.630 1.00 0.00 C ATOM 197 C THR A 17 0.275 -11.070 -5.579 1.00 0.00 C ATOM 198 O THR A 17 0.723 -9.932 -5.406 1.00 0.00 O ATOM 199 CB THR A 17 1.443 -12.815 -4.202 1.00 0.00 C ATOM 200 OG1 THR A 17 2.328 -13.940 -4.246 1.00 0.00 O ATOM 201 CG2 THR A 17 0.139 -13.227 -3.542 1.00 0.00 C ATOM 0 H THR A 17 3.259 -11.911 -5.662 1.00 0.00 H new ATOM 0 HA THR A 17 0.724 -13.067 -6.217 1.00 0.00 H new ATOM 0 HB THR A 17 1.890 -12.013 -3.615 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.209 -13.676 -3.908 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.341 -13.598 -2.537 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.527 -12.366 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.334 -14.013 -4.130 1.00 0.00 H new ATOM 209 N VAL A 18 -1.011 -11.322 -5.760 1.00 0.00 N ATOM 210 CA VAL A 18 -2.010 -10.274 -5.732 1.00 0.00 C ATOM 211 C VAL A 18 -2.618 -10.147 -4.339 1.00 0.00 C ATOM 212 O VAL A 18 -3.342 -11.035 -3.877 1.00 0.00 O ATOM 213 CB VAL A 18 -3.131 -10.548 -6.758 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.091 -9.375 -6.835 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.539 -10.855 -8.129 1.00 0.00 C ATOM 0 H VAL A 18 -1.387 -12.255 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.513 -9.340 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.692 -11.421 -6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.872 -9.591 -7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.543 -9.210 -5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.548 -8.480 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.344 -11.045 -8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.949 -10.004 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.900 -11.735 -8.061 1.00 0.00 H new ATOM 225 N VAL A 19 -2.298 -9.046 -3.673 1.00 0.00 N ATOM 226 CA VAL A 19 -2.800 -8.767 -2.335 1.00 0.00 C ATOM 227 C VAL A 19 -4.200 -8.172 -2.421 1.00 0.00 C ATOM 228 O VAL A 19 -4.429 -7.229 -3.179 1.00 0.00 O ATOM 229 CB VAL A 19 -1.881 -7.778 -1.579 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.306 -7.641 -0.123 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.426 -8.210 -1.679 1.00 0.00 C ATOM 0 H VAL A 19 -1.684 -8.322 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.822 -9.709 -1.788 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.979 -6.800 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.643 -6.940 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.330 -7.271 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.249 -8.614 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.202 -7.500 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.310 -9.202 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.126 -8.238 -2.727 1.00 0.00 H new ATOM 241 N LYS A 20 -5.126 -8.718 -1.653 1.00 0.00 N ATOM 242 CA LYS A 20 -6.499 -8.234 -1.662 1.00 0.00 C ATOM 243 C LYS A 20 -6.764 -7.332 -0.466 1.00 0.00 C ATOM 244 O LYS A 20 -6.597 -7.738 0.688 1.00 0.00 O ATOM 245 CB LYS A 20 -7.490 -9.402 -1.663 1.00 0.00 C ATOM 246 CG LYS A 20 -8.943 -8.964 -1.790 1.00 0.00 C ATOM 247 CD LYS A 20 -9.896 -10.132 -1.589 1.00 0.00 C ATOM 248 CE LYS A 20 -9.931 -11.043 -2.806 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.792 -12.234 -2.583 1.00 0.00 N ATOM 0 H LYS A 20 -4.955 -9.496 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.640 -7.655 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.248 -10.073 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.369 -9.972 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.156 -8.188 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.107 -8.524 -2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.590 -10.705 -0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.898 -9.754 -1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.299 -10.485 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.918 -11.367 -3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.789 -12.829 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.426 -12.781 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.764 -11.926 -2.379 1.00 0.00 H new ATOM 263 N VAL A 21 -7.165 -6.106 -0.750 1.00 0.00 N ATOM 264 CA VAL A 21 -7.472 -5.137 0.288 1.00 0.00 C ATOM 265 C VAL A 21 -8.957 -4.789 0.247 1.00 0.00 C ATOM 266 O VAL A 21 -9.465 -4.358 -0.788 1.00 0.00 O ATOM 267 CB VAL A 21 -6.633 -3.850 0.122 1.00 0.00 C ATOM 268 CG1 VAL A 21 -7.024 -2.806 1.159 1.00 0.00 C ATOM 269 CG2 VAL A 21 -5.149 -4.166 0.224 1.00 0.00 C ATOM 0 H VAL A 21 -7.287 -5.755 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.224 -5.584 1.251 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.837 -3.440 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.419 -1.910 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.078 -2.553 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.856 -3.206 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.573 -3.249 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.936 -4.604 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.873 -4.872 -0.559 1.00 0.00 H new ATOM 279 N ALA A 22 -9.655 -5.005 1.355 1.00 0.00 N ATOM 280 CA ALA A 22 -11.077 -4.701 1.431 1.00 0.00 C ATOM 281 C ALA A 22 -11.418 -4.027 2.752 1.00 0.00 C ATOM 282 O ALA A 22 -11.542 -4.682 3.788 1.00 0.00 O ATOM 283 CB ALA A 22 -11.897 -5.967 1.247 1.00 0.00 C ATOM 0 H ALA A 22 -9.259 -5.389 2.213 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.323 -4.008 0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.958 -5.725 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.678 -6.404 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.644 -6.682 2.030 1.00 0.00 H new ATOM 289 N GLY A 23 -11.561 -2.715 2.713 1.00 0.00 N ATOM 290 CA GLY A 23 -11.879 -1.974 3.912 1.00 0.00 C ATOM 291 C GLY A 23 -13.286 -1.416 3.886 1.00 0.00 C ATOM 292 O GLY A 23 -13.658 -0.705 2.955 1.00 0.00 O ATOM 0 H GLY A 23 -11.462 -2.148 1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.764 -2.624 4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.168 -1.156 4.030 1.00 0.00 H new ATOM 296 N ALA A 24 -14.073 -1.753 4.893 1.00 0.00 N ATOM 297 CA ALA A 24 -15.442 -1.272 4.991 1.00 0.00 C ATOM 298 C ALA A 24 -15.590 -0.394 6.223 1.00 0.00 C ATOM 299 O ALA A 24 -14.823 -0.521 7.176 1.00 0.00 O ATOM 300 CB ALA A 24 -16.421 -2.437 5.030 1.00 0.00 C ATOM 0 H ALA A 24 -13.786 -2.362 5.659 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.673 -0.676 4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.439 -2.054 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.320 -3.028 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.206 -3.064 5.895 1.00 0.00 H new ATOM 306 N GLY A 25 -16.565 0.499 6.203 1.00 0.00 N ATOM 307 CA GLY A 25 -16.768 1.388 7.326 1.00 0.00 C ATOM 308 C GLY A 25 -15.952 2.652 7.181 1.00 0.00 C ATOM 309 O GLY A 25 -15.611 3.309 8.167 1.00 0.00 O ATOM 0 H GLY A 25 -17.219 0.625 5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.825 1.642 7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.493 0.879 8.250 1.00 0.00 H new ATOM 313 N LEU A 26 -15.632 2.983 5.937 1.00 0.00 N ATOM 314 CA LEU A 26 -14.852 4.167 5.625 1.00 0.00 C ATOM 315 C LEU A 26 -15.775 5.308 5.228 1.00 0.00 C ATOM 316 O LEU A 26 -16.995 5.216 5.390 1.00 0.00 O ATOM 317 CB LEU A 26 -13.861 3.869 4.495 1.00 0.00 C ATOM 318 CG LEU A 26 -12.856 2.757 4.799 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.170 2.297 3.525 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.824 3.229 5.814 1.00 0.00 C ATOM 0 H LEU A 26 -15.906 2.438 5.120 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.289 4.461 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.422 3.598 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.312 4.782 4.262 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.399 1.914 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.458 1.506 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.916 1.918 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.642 3.137 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.118 2.423 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.287 4.089 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.326 3.513 6.739 1.00 0.00 H new ATOM 332 N GLN A 27 -15.203 6.372 4.692 1.00 0.00 N ATOM 333 CA GLN A 27 -15.985 7.523 4.288 1.00 0.00 C ATOM 334 C GLN A 27 -16.252 7.491 2.791 1.00 0.00 C ATOM 335 O GLN A 27 -15.326 7.594 1.989 1.00 0.00 O ATOM 336 CB GLN A 27 -15.270 8.818 4.669 1.00 0.00 C ATOM 337 CG GLN A 27 -16.216 9.993 4.843 1.00 0.00 C ATOM 338 CD GLN A 27 -17.338 9.700 5.821 1.00 0.00 C ATOM 339 OE1 GLN A 27 -17.172 8.933 6.773 1.00 0.00 O ATOM 340 NE2 GLN A 27 -18.492 10.300 5.583 1.00 0.00 N ATOM 0 H GLN A 27 -14.200 6.461 4.527 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.940 7.486 4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.719 8.662 5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.537 9.061 3.900 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.653 10.859 5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.642 10.257 3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.586 10.927 4.784 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.289 10.136 6.198 1.00 0.00 H new ATOM 349 N ALA A 28 -17.519 7.330 2.429 1.00 0.00 N ATOM 350 CA ALA A 28 -17.930 7.289 1.029 1.00 0.00 C ATOM 351 C ALA A 28 -17.502 8.558 0.300 1.00 0.00 C ATOM 352 O ALA A 28 -17.683 9.666 0.810 1.00 0.00 O ATOM 353 CB ALA A 28 -19.438 7.109 0.931 1.00 0.00 C ATOM 0 H ALA A 28 -18.287 7.225 3.092 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.440 6.440 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.734 7.080 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.725 6.176 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.937 7.943 1.425 1.00 0.00 H new ATOM 359 N GLY A 29 -16.924 8.392 -0.882 1.00 0.00 N ATOM 360 CA GLY A 29 -16.481 9.537 -1.652 1.00 0.00 C ATOM 361 C GLY A 29 -15.044 9.935 -1.352 1.00 0.00 C ATOM 362 O GLY A 29 -14.667 11.092 -1.536 1.00 0.00 O ATOM 0 H GLY A 29 -16.754 7.487 -1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.576 9.312 -2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.137 10.383 -1.446 1.00 0.00 H new ATOM 366 N THR A 30 -14.241 8.989 -0.886 1.00 0.00 N ATOM 367 CA THR A 30 -12.844 9.264 -0.575 1.00 0.00 C ATOM 368 C THR A 30 -11.928 8.278 -1.297 1.00 0.00 C ATOM 369 O THR A 30 -12.209 7.080 -1.338 1.00 0.00 O ATOM 370 CB THR A 30 -12.590 9.186 0.944 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.706 9.742 1.656 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.321 9.935 1.321 1.00 0.00 C ATOM 0 H THR A 30 -14.531 8.026 -0.715 1.00 0.00 H new ATOM 0 HA THR A 30 -12.622 10.275 -0.917 1.00 0.00 H new ATOM 0 HB THR A 30 -12.469 8.137 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.407 9.063 1.746 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.164 9.865 2.397 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.470 9.495 0.801 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.418 10.982 1.036 1.00 0.00 H new ATOM 380 N ALA A 31 -10.842 8.788 -1.868 1.00 0.00 N ATOM 381 CA ALA A 31 -9.888 7.955 -2.590 1.00 0.00 C ATOM 382 C ALA A 31 -8.735 7.531 -1.686 1.00 0.00 C ATOM 383 O ALA A 31 -8.089 8.364 -1.049 1.00 0.00 O ATOM 384 CB ALA A 31 -9.360 8.701 -3.805 1.00 0.00 C ATOM 0 H ALA A 31 -10.600 9.779 -1.844 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.404 7.054 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.648 8.071 -4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.189 8.952 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.864 9.616 -3.483 1.00 0.00 H new ATOM 390 N TYR A 32 -8.482 6.232 -1.632 1.00 0.00 N ATOM 391 CA TYR A 32 -7.416 5.685 -0.803 1.00 0.00 C ATOM 392 C TYR A 32 -6.273 5.156 -1.662 1.00 0.00 C ATOM 393 O TYR A 32 -6.492 4.407 -2.616 1.00 0.00 O ATOM 394 CB TYR A 32 -7.961 4.569 0.097 1.00 0.00 C ATOM 395 CG TYR A 32 -8.904 5.070 1.174 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.234 5.360 0.883 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.462 5.268 2.476 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.093 5.827 1.862 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.315 5.736 3.459 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.630 6.016 3.147 1.00 0.00 C ATOM 401 OH TYR A 32 -11.485 6.487 4.123 1.00 0.00 O ATOM 0 H TYR A 32 -9.005 5.531 -2.157 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.029 6.488 -0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.482 3.837 -0.520 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.125 4.052 0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.601 5.218 -0.123 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.433 5.053 2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.123 6.043 1.620 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.954 5.882 4.466 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.002 6.563 4.972 1.00 0.00 H new ATOM 411 N ASP A 33 -5.058 5.560 -1.319 1.00 0.00 N ATOM 412 CA ASP A 33 -3.860 5.133 -2.034 1.00 0.00 C ATOM 413 C ASP A 33 -3.280 3.901 -1.355 1.00 0.00 C ATOM 414 O ASP A 33 -2.933 3.939 -0.171 1.00 0.00 O ATOM 415 CB ASP A 33 -2.814 6.256 -2.061 1.00 0.00 C ATOM 416 CG ASP A 33 -2.898 7.115 -3.311 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.986 7.661 -3.592 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.866 7.267 -4.006 1.00 0.00 O ATOM 0 H ASP A 33 -4.873 6.191 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.130 4.893 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.945 6.888 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.818 5.819 -1.993 1.00 0.00 H new ATOM 423 N VAL A 34 -3.202 2.802 -2.094 1.00 0.00 N ATOM 424 CA VAL A 34 -2.676 1.558 -1.548 1.00 0.00 C ATOM 425 C VAL A 34 -1.566 0.999 -2.429 1.00 0.00 C ATOM 426 O VAL A 34 -1.771 0.754 -3.619 1.00 0.00 O ATOM 427 CB VAL A 34 -3.783 0.488 -1.409 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.297 -0.684 -0.572 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.050 1.085 -0.811 1.00 0.00 C ATOM 0 H VAL A 34 -3.495 2.747 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.277 1.793 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.022 0.122 -2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.092 -1.425 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.428 -1.137 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.022 -0.332 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.812 0.310 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.830 1.490 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.416 1.883 -1.457 1.00 0.00 H new ATOM 439 N GLY A 35 -0.387 0.819 -1.849 1.00 0.00 N ATOM 440 CA GLY A 35 0.727 0.262 -2.589 1.00 0.00 C ATOM 441 C GLY A 35 1.653 -0.527 -1.689 1.00 0.00 C ATOM 442 O GLY A 35 1.461 -0.550 -0.474 1.00 0.00 O ATOM 0 H GLY A 35 -0.182 1.050 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.351 -0.384 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.284 1.066 -3.070 1.00 0.00 H new ATOM 446 N GLN A 36 2.643 -1.193 -2.265 1.00 0.00 N ATOM 447 CA GLN A 36 3.584 -1.950 -1.464 1.00 0.00 C ATOM 448 C GLN A 36 4.690 -1.005 -1.018 1.00 0.00 C ATOM 449 O GLN A 36 5.324 -0.344 -1.839 1.00 0.00 O ATOM 450 CB GLN A 36 4.137 -3.163 -2.233 1.00 0.00 C ATOM 451 CG GLN A 36 5.293 -2.850 -3.172 1.00 0.00 C ATOM 452 CD GLN A 36 5.853 -4.083 -3.842 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.440 -4.446 -4.938 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.795 -4.739 -3.181 1.00 0.00 N ATOM 0 H GLN A 36 2.812 -1.223 -3.270 1.00 0.00 H new ATOM 0 HA GLN A 36 3.080 -2.360 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.465 -3.913 -1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.328 -3.608 -2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.956 -2.149 -3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.086 -2.354 -2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.109 -4.401 -2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.206 -5.582 -3.582 1.00 0.00 H new ATOM 463 N CYS A 37 4.892 -0.901 0.278 1.00 0.00 N ATOM 464 CA CYS A 37 5.892 0.003 0.807 1.00 0.00 C ATOM 465 C CYS A 37 6.924 -0.737 1.640 1.00 0.00 C ATOM 466 O CYS A 37 6.621 -1.746 2.277 1.00 0.00 O ATOM 467 CB CYS A 37 5.208 1.087 1.639 1.00 0.00 C ATOM 468 SG CYS A 37 3.566 1.562 1.004 1.00 0.00 S ATOM 0 H CYS A 37 4.379 -1.429 0.984 1.00 0.00 H new ATOM 0 HA CYS A 37 6.419 0.465 -0.028 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.104 0.735 2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.847 1.970 1.668 1.00 0.00 H new ATOM 473 N ALA A 38 8.146 -0.236 1.609 1.00 0.00 N ATOM 474 CA ALA A 38 9.237 -0.824 2.357 1.00 0.00 C ATOM 475 C ALA A 38 10.238 0.256 2.736 1.00 0.00 C ATOM 476 O ALA A 38 10.121 1.404 2.288 1.00 0.00 O ATOM 477 CB ALA A 38 9.910 -1.920 1.544 1.00 0.00 C ATOM 0 H ALA A 38 8.407 0.587 1.066 1.00 0.00 H new ATOM 0 HA ALA A 38 8.843 -1.274 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.728 -2.351 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.183 -2.697 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.302 -1.498 0.619 1.00 0.00 H new ATOM 483 N TRP A 39 11.203 -0.103 3.570 1.00 0.00 N ATOM 484 CA TRP A 39 12.226 0.832 4.012 1.00 0.00 C ATOM 485 C TRP A 39 13.169 1.178 2.867 1.00 0.00 C ATOM 486 O TRP A 39 14.059 0.399 2.523 1.00 0.00 O ATOM 487 CB TRP A 39 13.009 0.242 5.186 1.00 0.00 C ATOM 488 CG TRP A 39 12.484 0.662 6.525 1.00 0.00 C ATOM 489 CD1 TRP A 39 11.193 0.589 6.962 1.00 0.00 C ATOM 490 CD2 TRP A 39 13.243 1.217 7.603 1.00 0.00 C ATOM 491 NE1 TRP A 39 11.101 1.074 8.243 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.346 1.463 8.660 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.594 1.532 7.778 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.758 2.008 9.873 1.00 0.00 C ATOM 495 CZ3 TRP A 39 15.000 2.073 8.982 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.085 2.305 10.016 1.00 0.00 C ATOM 0 H TRP A 39 11.299 -1.042 3.956 1.00 0.00 H new ATOM 0 HA TRP A 39 11.737 1.749 4.341 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.984 -0.846 5.119 1.00 0.00 H new ATOM 0 HB3 TRP A 39 14.054 0.542 5.103 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.365 0.206 6.384 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.245 1.135 8.794 1.00 0.00 H new ATOM 0 HE3 TRP A 39 15.307 1.355 6.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.055 2.190 10.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 16.041 2.321 9.128 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.435 2.728 10.946 1.00 0.00 H new ATOM 507 N VAL A 40 12.959 2.343 2.275 1.00 0.00 N ATOM 508 CA VAL A 40 13.783 2.793 1.167 1.00 0.00 C ATOM 509 C VAL A 40 15.072 3.432 1.680 1.00 0.00 C ATOM 510 O VAL A 40 16.112 3.388 1.016 1.00 0.00 O ATOM 511 CB VAL A 40 13.019 3.788 0.257 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.593 5.029 1.027 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.859 4.174 -0.951 1.00 0.00 C ATOM 0 H VAL A 40 12.223 2.995 2.545 1.00 0.00 H new ATOM 0 HA VAL A 40 14.036 1.917 0.570 1.00 0.00 H new ATOM 0 HB VAL A 40 12.118 3.285 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.060 5.706 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.939 4.740 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.475 5.531 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.301 4.873 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.783 4.645 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.096 3.281 -1.530 1.00 0.00 H new ATOM 523 N ASP A 41 15.006 4.006 2.872 1.00 0.00 N ATOM 524 CA ASP A 41 16.163 4.650 3.475 1.00 0.00 C ATOM 525 C ASP A 41 16.040 4.647 4.990 1.00 0.00 C ATOM 526 O ASP A 41 15.103 4.067 5.538 1.00 0.00 O ATOM 527 CB ASP A 41 16.311 6.083 2.966 1.00 0.00 C ATOM 528 CG ASP A 41 17.759 6.478 2.762 1.00 0.00 C ATOM 529 OD1 ASP A 41 18.525 6.497 3.748 1.00 0.00 O ATOM 530 OD2 ASP A 41 18.140 6.769 1.606 1.00 0.00 O ATOM 0 H ASP A 41 14.161 4.039 3.442 1.00 0.00 H new ATOM 0 HA ASP A 41 17.052 4.087 3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.773 6.188 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.847 6.767 3.676 1.00 0.00 H new ATOM 535 N THR A 42 16.977 5.312 5.651 1.00 0.00 N ATOM 536 CA THR A 42 17.002 5.388 7.106 1.00 0.00 C ATOM 537 C THR A 42 15.748 6.071 7.661 1.00 0.00 C ATOM 538 O THR A 42 15.643 7.300 7.672 1.00 0.00 O ATOM 539 CB THR A 42 18.260 6.137 7.583 1.00 0.00 C ATOM 540 OG1 THR A 42 19.372 5.802 6.734 1.00 0.00 O ATOM 541 CG2 THR A 42 18.593 5.776 9.023 1.00 0.00 C ATOM 0 H THR A 42 17.740 5.813 5.196 1.00 0.00 H new ATOM 0 HA THR A 42 17.024 4.366 7.485 1.00 0.00 H new ATOM 0 HB THR A 42 18.064 7.208 7.531 1.00 0.00 H new ATOM 0 HG1 THR A 42 20.171 6.281 7.038 1.00 0.00 H new ATOM 0 HG21 THR A 42 19.485 6.318 9.337 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.758 6.048 9.669 1.00 0.00 H new ATOM 0 HG23 THR A 42 18.775 4.704 9.097 1.00 0.00 H new ATOM 549 N GLY A 43 14.787 5.257 8.091 1.00 0.00 N ATOM 550 CA GLY A 43 13.553 5.776 8.649 1.00 0.00 C ATOM 551 C GLY A 43 12.624 6.325 7.583 1.00 0.00 C ATOM 552 O GLY A 43 11.665 7.033 7.891 1.00 0.00 O ATOM 0 H GLY A 43 14.844 4.239 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.044 4.984 9.198 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.784 6.563 9.366 1.00 0.00 H new ATOM 556 N VAL A 44 12.900 5.997 6.327 1.00 0.00 N ATOM 557 CA VAL A 44 12.088 6.480 5.220 1.00 0.00 C ATOM 558 C VAL A 44 11.366 5.330 4.524 1.00 0.00 C ATOM 559 O VAL A 44 11.985 4.335 4.143 1.00 0.00 O ATOM 560 CB VAL A 44 12.938 7.245 4.181 1.00 0.00 C ATOM 561 CG1 VAL A 44 12.046 7.977 3.191 1.00 0.00 C ATOM 562 CG2 VAL A 44 13.884 8.217 4.866 1.00 0.00 C ATOM 0 H VAL A 44 13.679 5.399 6.051 1.00 0.00 H new ATOM 0 HA VAL A 44 11.353 7.163 5.646 1.00 0.00 H new ATOM 0 HB VAL A 44 13.536 6.517 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.665 8.509 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.415 7.258 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.418 8.690 3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.472 8.744 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 44 13.308 8.938 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.552 7.668 5.530 1.00 0.00 H new ATOM 572 N LEU A 45 10.057 5.471 4.375 1.00 0.00 N ATOM 573 CA LEU A 45 9.241 4.462 3.714 1.00 0.00 C ATOM 574 C LEU A 45 8.823 4.958 2.335 1.00 0.00 C ATOM 575 O LEU A 45 8.686 6.161 2.121 1.00 0.00 O ATOM 576 CB LEU A 45 8.003 4.140 4.556 1.00 0.00 C ATOM 577 CG LEU A 45 8.258 3.229 5.757 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.170 3.402 6.807 1.00 0.00 C ATOM 579 CD2 LEU A 45 8.333 1.779 5.304 1.00 0.00 C ATOM 0 H LEU A 45 9.533 6.281 4.706 1.00 0.00 H new ATOM 0 HA LEU A 45 9.830 3.551 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.572 5.075 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.258 3.670 3.914 1.00 0.00 H new ATOM 0 HG LEU A 45 9.211 3.508 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.372 2.744 7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.155 4.437 7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.202 3.149 6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.515 1.137 6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.392 1.496 4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.146 1.663 4.588 1.00 0.00 H new ATOM 591 N ALA A 46 8.634 4.035 1.402 1.00 0.00 N ATOM 592 CA ALA A 46 8.233 4.389 0.049 1.00 0.00 C ATOM 593 C ALA A 46 7.485 3.238 -0.612 1.00 0.00 C ATOM 594 O ALA A 46 7.803 2.073 -0.367 1.00 0.00 O ATOM 595 CB ALA A 46 9.452 4.765 -0.776 1.00 0.00 C ATOM 0 H ALA A 46 8.752 3.034 1.558 1.00 0.00 H new ATOM 0 HA ALA A 46 7.563 5.247 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.140 5.028 -1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.953 5.617 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.139 3.920 -0.817 1.00 0.00 H new ATOM 601 N CYS A 47 6.497 3.562 -1.440 1.00 0.00 N ATOM 602 CA CYS A 47 5.708 2.541 -2.131 1.00 0.00 C ATOM 603 C CYS A 47 5.864 2.647 -3.643 1.00 0.00 C ATOM 604 O CYS A 47 6.339 3.666 -4.156 1.00 0.00 O ATOM 605 CB CYS A 47 4.224 2.659 -1.766 1.00 0.00 C ATOM 606 SG CYS A 47 3.913 3.247 -0.074 1.00 0.00 S ATOM 0 H CYS A 47 6.222 4.521 -1.650 1.00 0.00 H new ATOM 0 HA CYS A 47 6.084 1.571 -1.807 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.742 3.339 -2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.753 1.684 -1.892 1.00 0.00 H new ATOM 611 N ASN A 48 5.439 1.597 -4.342 1.00 0.00 N ATOM 612 CA ASN A 48 5.513 1.528 -5.802 1.00 0.00 C ATOM 613 C ASN A 48 4.424 2.383 -6.452 1.00 0.00 C ATOM 614 O ASN A 48 3.237 2.122 -6.295 1.00 0.00 O ATOM 615 CB ASN A 48 5.409 0.065 -6.276 1.00 0.00 C ATOM 616 CG ASN A 48 4.186 -0.684 -5.743 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.564 -0.292 -4.755 1.00 0.00 O ATOM 618 ND2 ASN A 48 3.855 -1.795 -6.381 1.00 0.00 N ATOM 0 H ASN A 48 5.032 0.767 -3.912 1.00 0.00 H new ATOM 0 HA ASN A 48 6.479 1.927 -6.111 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.384 0.049 -7.366 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.309 -0.469 -5.970 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.065 -2.353 -6.057 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.390 -2.093 -7.197 1.00 0.00 H new ATOM 625 N PRO A 49 4.821 3.424 -7.200 1.00 0.00 N ATOM 626 CA PRO A 49 3.880 4.334 -7.859 1.00 0.00 C ATOM 627 C PRO A 49 3.397 3.842 -9.227 1.00 0.00 C ATOM 628 O PRO A 49 2.409 4.347 -9.757 1.00 0.00 O ATOM 629 CB PRO A 49 4.715 5.599 -8.021 1.00 0.00 C ATOM 630 CG PRO A 49 6.103 5.099 -8.238 1.00 0.00 C ATOM 631 CD PRO A 49 6.223 3.816 -7.453 1.00 0.00 C ATOM 0 HA PRO A 49 2.963 4.452 -7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.371 6.197 -8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.654 6.232 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.292 4.925 -9.297 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.836 5.831 -7.900 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.757 3.051 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.770 3.966 -6.522 1.00 0.00 H new ATOM 639 N ALA A 50 4.085 2.862 -9.796 1.00 0.00 N ATOM 640 CA ALA A 50 3.715 2.348 -11.108 1.00 0.00 C ATOM 641 C ALA A 50 3.089 0.964 -11.026 1.00 0.00 C ATOM 642 O ALA A 50 2.800 0.343 -12.052 1.00 0.00 O ATOM 643 CB ALA A 50 4.931 2.312 -12.013 1.00 0.00 C ATOM 0 H ALA A 50 4.896 2.410 -9.374 1.00 0.00 H new ATOM 0 HA ALA A 50 2.966 3.023 -11.523 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.645 1.926 -12.992 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.333 3.319 -12.123 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.691 1.664 -11.576 1.00 0.00 H new ATOM 649 N ASP A 51 2.870 0.482 -9.815 1.00 0.00 N ATOM 650 CA ASP A 51 2.281 -0.841 -9.628 1.00 0.00 C ATOM 651 C ASP A 51 1.300 -0.837 -8.472 1.00 0.00 C ATOM 652 O ASP A 51 1.027 -1.876 -7.872 1.00 0.00 O ATOM 653 CB ASP A 51 3.369 -1.888 -9.384 1.00 0.00 C ATOM 654 CG ASP A 51 3.682 -2.711 -10.615 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.795 -3.455 -11.088 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.826 -2.628 -11.109 1.00 0.00 O ATOM 0 H ASP A 51 3.087 0.978 -8.951 1.00 0.00 H new ATOM 0 HA ASP A 51 1.743 -1.099 -10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.277 -1.389 -9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.053 -2.552 -8.580 1.00 0.00 H new ATOM 661 N PHE A 52 0.772 0.333 -8.159 1.00 0.00 N ATOM 662 CA PHE A 52 -0.180 0.458 -7.074 1.00 0.00 C ATOM 663 C PHE A 52 -1.577 0.685 -7.640 1.00 0.00 C ATOM 664 O PHE A 52 -1.738 0.863 -8.850 1.00 0.00 O ATOM 665 CB PHE A 52 0.229 1.589 -6.115 1.00 0.00 C ATOM 666 CG PHE A 52 -0.393 2.929 -6.422 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.055 3.694 -7.488 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.429 3.416 -5.639 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.522 4.919 -7.768 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.009 4.638 -5.917 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.554 5.389 -6.981 1.00 0.00 C ATOM 0 H PHE A 52 0.987 1.206 -8.640 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.188 -0.467 -6.498 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.042 1.302 -5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.314 1.693 -6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.862 3.330 -8.106 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.786 2.833 -4.803 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.166 5.507 -8.601 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.818 5.005 -5.302 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.006 6.346 -7.198 1.00 0.00 H new ATOM 681 N SER A 53 -2.580 0.667 -6.780 1.00 0.00 N ATOM 682 CA SER A 53 -3.951 0.870 -7.216 1.00 0.00 C ATOM 683 C SER A 53 -4.734 1.688 -6.197 1.00 0.00 C ATOM 684 O SER A 53 -4.880 1.285 -5.041 1.00 0.00 O ATOM 685 CB SER A 53 -4.628 -0.481 -7.453 1.00 0.00 C ATOM 686 OG SER A 53 -3.904 -1.234 -8.411 1.00 0.00 O ATOM 0 H SER A 53 -2.472 0.514 -5.777 1.00 0.00 H new ATOM 0 HA SER A 53 -3.936 1.429 -8.152 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.688 -1.034 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.650 -0.327 -7.799 1.00 0.00 H new ATOM 0 HG SER A 53 -4.347 -2.097 -8.552 1.00 0.00 H new ATOM 692 N SER A 54 -5.210 2.847 -6.626 1.00 0.00 N ATOM 693 CA SER A 54 -5.989 3.721 -5.769 1.00 0.00 C ATOM 694 C SER A 54 -7.462 3.342 -5.861 1.00 0.00 C ATOM 695 O SER A 54 -8.001 3.176 -6.959 1.00 0.00 O ATOM 696 CB SER A 54 -5.776 5.181 -6.176 1.00 0.00 C ATOM 697 OG SER A 54 -5.317 5.274 -7.519 1.00 0.00 O ATOM 0 H SER A 54 -5.068 3.204 -7.571 1.00 0.00 H new ATOM 0 HA SER A 54 -5.662 3.605 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.710 5.732 -6.068 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.052 5.647 -5.507 1.00 0.00 H new ATOM 0 HG SER A 54 -5.190 6.216 -7.757 1.00 0.00 H new ATOM 703 N VAL A 55 -8.107 3.193 -4.716 1.00 0.00 N ATOM 704 CA VAL A 55 -9.509 2.808 -4.679 1.00 0.00 C ATOM 705 C VAL A 55 -10.354 3.859 -3.968 1.00 0.00 C ATOM 706 O VAL A 55 -9.970 4.375 -2.919 1.00 0.00 O ATOM 707 CB VAL A 55 -9.692 1.438 -3.986 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.020 1.416 -2.621 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.166 1.080 -3.863 1.00 0.00 C ATOM 0 H VAL A 55 -7.682 3.333 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.848 2.729 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.210 0.687 -4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.166 0.440 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.953 1.606 -2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.459 2.187 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.266 0.112 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.677 1.840 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.613 1.031 -4.856 1.00 0.00 H new ATOM 719 N THR A 56 -11.493 4.185 -4.553 1.00 0.00 N ATOM 720 CA THR A 56 -12.399 5.153 -3.963 1.00 0.00 C ATOM 721 C THR A 56 -13.491 4.421 -3.179 1.00 0.00 C ATOM 722 O THR A 56 -13.973 3.365 -3.598 1.00 0.00 O ATOM 723 CB THR A 56 -13.024 6.085 -5.037 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.635 7.228 -4.418 1.00 0.00 O ATOM 725 CG2 THR A 56 -14.058 5.356 -5.882 1.00 0.00 C ATOM 0 H THR A 56 -11.813 3.792 -5.438 1.00 0.00 H new ATOM 0 HA THR A 56 -11.829 5.786 -3.283 1.00 0.00 H new ATOM 0 HB THR A 56 -12.215 6.411 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.022 7.806 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.472 6.041 -6.621 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.585 4.516 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.858 4.988 -5.240 1.00 0.00 H new ATOM 733 N ALA A 57 -13.845 4.955 -2.022 1.00 0.00 N ATOM 734 CA ALA A 57 -14.872 4.346 -1.192 1.00 0.00 C ATOM 735 C ALA A 57 -16.237 4.497 -1.851 1.00 0.00 C ATOM 736 O ALA A 57 -16.648 5.612 -2.185 1.00 0.00 O ATOM 737 CB ALA A 57 -14.868 4.967 0.195 1.00 0.00 C ATOM 0 H ALA A 57 -13.438 5.807 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.657 3.282 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.642 4.501 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.895 4.810 0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.064 6.036 0.115 1.00 0.00 H new ATOM 743 N ASP A 58 -16.931 3.377 -2.034 1.00 0.00 N ATOM 744 CA ASP A 58 -18.247 3.384 -2.669 1.00 0.00 C ATOM 745 C ASP A 58 -19.298 4.016 -1.760 1.00 0.00 C ATOM 746 O ASP A 58 -18.992 4.434 -0.644 1.00 0.00 O ATOM 747 CB ASP A 58 -18.670 1.961 -3.079 1.00 0.00 C ATOM 748 CG ASP A 58 -18.760 0.971 -1.925 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.882 1.391 -0.756 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.719 -0.248 -2.191 1.00 0.00 O ATOM 0 H ASP A 58 -16.605 2.453 -1.752 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.173 3.992 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.640 2.012 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.958 1.581 -3.812 1.00 0.00 H new ATOM 755 N ALA A 59 -20.541 4.061 -2.235 1.00 0.00 N ATOM 756 CA ALA A 59 -21.641 4.661 -1.478 1.00 0.00 C ATOM 757 C ALA A 59 -21.907 3.912 -0.175 1.00 0.00 C ATOM 758 O ALA A 59 -22.496 4.461 0.761 1.00 0.00 O ATOM 759 CB ALA A 59 -22.901 4.705 -2.330 1.00 0.00 C ATOM 0 H ALA A 59 -20.814 3.688 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.348 5.678 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.712 5.153 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.715 5.301 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.179 3.692 -2.621 1.00 0.00 H new ATOM 765 N ASN A 60 -21.458 2.667 -0.110 1.00 0.00 N ATOM 766 CA ASN A 60 -21.646 1.845 1.079 1.00 0.00 C ATOM 767 C ASN A 60 -20.562 2.159 2.101 1.00 0.00 C ATOM 768 O ASN A 60 -20.675 1.814 3.276 1.00 0.00 O ATOM 769 CB ASN A 60 -21.608 0.354 0.722 1.00 0.00 C ATOM 770 CG ASN A 60 -22.801 -0.085 -0.106 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.914 0.405 0.072 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.574 -1.012 -1.027 1.00 0.00 N ATOM 0 H ASN A 60 -20.959 2.202 -0.869 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.623 2.073 1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.692 0.141 0.172 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.573 -0.233 1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.337 -1.342 -1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.636 -1.395 -1.145 1.00 0.00 H new ATOM 779 N GLY A 61 -19.519 2.837 1.641 1.00 0.00 N ATOM 780 CA GLY A 61 -18.416 3.193 2.507 1.00 0.00 C ATOM 781 C GLY A 61 -17.372 2.099 2.549 1.00 0.00 C ATOM 782 O GLY A 61 -16.724 1.881 3.573 1.00 0.00 O ATOM 0 H GLY A 61 -19.419 3.148 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.961 4.119 2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.788 3.382 3.514 1.00 0.00 H new ATOM 786 N SER A 62 -17.224 1.403 1.431 1.00 0.00 N ATOM 787 CA SER A 62 -16.262 0.315 1.328 1.00 0.00 C ATOM 788 C SER A 62 -15.292 0.545 0.169 1.00 0.00 C ATOM 789 O SER A 62 -15.665 1.071 -0.882 1.00 0.00 O ATOM 790 CB SER A 62 -17.003 -1.014 1.149 1.00 0.00 C ATOM 791 OG SER A 62 -18.405 -0.801 1.136 1.00 0.00 O ATOM 0 H SER A 62 -17.760 1.573 0.580 1.00 0.00 H new ATOM 0 HA SER A 62 -15.679 0.280 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.692 -1.488 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.740 -1.696 1.958 1.00 0.00 H new ATOM 0 HG SER A 62 -18.678 -0.476 0.253 1.00 0.00 H new ATOM 797 N ALA A 63 -14.044 0.159 0.379 1.00 0.00 N ATOM 798 CA ALA A 63 -13.008 0.307 -0.626 1.00 0.00 C ATOM 799 C ALA A 63 -12.227 -0.994 -0.776 1.00 0.00 C ATOM 800 O ALA A 63 -11.594 -1.458 0.174 1.00 0.00 O ATOM 801 CB ALA A 63 -12.078 1.453 -0.254 1.00 0.00 C ATOM 0 H ALA A 63 -13.723 -0.265 1.249 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.475 0.538 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.304 1.555 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.649 2.379 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.614 1.246 0.710 1.00 0.00 H new ATOM 807 N SER A 64 -12.292 -1.593 -1.956 1.00 0.00 N ATOM 808 CA SER A 64 -11.583 -2.838 -2.213 1.00 0.00 C ATOM 809 C SER A 64 -10.716 -2.718 -3.462 1.00 0.00 C ATOM 810 O SER A 64 -11.120 -2.108 -4.456 1.00 0.00 O ATOM 811 CB SER A 64 -12.575 -3.996 -2.363 1.00 0.00 C ATOM 812 OG SER A 64 -11.955 -5.243 -2.080 1.00 0.00 O ATOM 0 H SER A 64 -12.827 -1.238 -2.749 1.00 0.00 H new ATOM 0 HA SER A 64 -10.933 -3.043 -1.363 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.419 -3.845 -1.690 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.974 -4.007 -3.377 1.00 0.00 H new ATOM 0 HG SER A 64 -11.101 -5.088 -1.625 1.00 0.00 H new ATOM 818 N THR A 65 -9.522 -3.292 -3.405 1.00 0.00 N ATOM 819 CA THR A 65 -8.606 -3.243 -4.526 1.00 0.00 C ATOM 820 C THR A 65 -7.593 -4.387 -4.443 1.00 0.00 C ATOM 821 O THR A 65 -7.503 -5.082 -3.424 1.00 0.00 O ATOM 822 CB THR A 65 -7.879 -1.880 -4.585 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.388 -1.634 -5.907 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.731 -1.812 -3.586 1.00 0.00 C ATOM 0 H THR A 65 -9.169 -3.796 -2.592 1.00 0.00 H new ATOM 0 HA THR A 65 -9.185 -3.359 -5.442 1.00 0.00 H new ATOM 0 HB THR A 65 -8.604 -1.110 -4.319 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.932 -0.767 -5.930 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.244 -0.839 -3.657 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.118 -1.951 -2.577 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.008 -2.597 -3.809 1.00 0.00 H new ATOM 832 N SER A 66 -6.848 -4.581 -5.519 1.00 0.00 N ATOM 833 CA SER A 66 -5.848 -5.630 -5.589 1.00 0.00 C ATOM 834 C SER A 66 -4.466 -5.029 -5.865 1.00 0.00 C ATOM 835 O SER A 66 -4.305 -4.200 -6.766 1.00 0.00 O ATOM 836 CB SER A 66 -6.234 -6.632 -6.679 1.00 0.00 C ATOM 837 OG SER A 66 -7.610 -6.983 -6.582 1.00 0.00 O ATOM 0 H SER A 66 -6.920 -4.017 -6.366 1.00 0.00 H new ATOM 0 HA SER A 66 -5.803 -6.151 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.032 -6.203 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.619 -7.527 -6.590 1.00 0.00 H new ATOM 0 HG SER A 66 -7.835 -7.623 -7.289 1.00 0.00 H new ATOM 843 N LEU A 67 -3.478 -5.441 -5.082 1.00 0.00 N ATOM 844 CA LEU A 67 -2.120 -4.936 -5.226 1.00 0.00 C ATOM 845 C LEU A 67 -1.158 -6.035 -5.650 1.00 0.00 C ATOM 846 O LEU A 67 -1.264 -7.171 -5.199 1.00 0.00 O ATOM 847 CB LEU A 67 -1.647 -4.329 -3.902 1.00 0.00 C ATOM 848 CG LEU A 67 -1.598 -2.800 -3.866 1.00 0.00 C ATOM 849 CD1 LEU A 67 -0.616 -2.275 -4.897 1.00 0.00 C ATOM 850 CD2 LEU A 67 -2.984 -2.212 -4.099 1.00 0.00 C ATOM 0 H LEU A 67 -3.593 -6.128 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.130 -4.172 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.307 -4.674 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.652 -4.714 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.258 -2.491 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.594 -1.186 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.379 -2.666 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.926 -2.596 -5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.927 -1.124 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.355 -2.530 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.663 -2.561 -3.321 1.00 0.00 H new ATOM 862 N THR A 68 -0.221 -5.696 -6.518 1.00 0.00 N ATOM 863 CA THR A 68 0.765 -6.654 -6.987 1.00 0.00 C ATOM 864 C THR A 68 2.090 -6.437 -6.262 1.00 0.00 C ATOM 865 O THR A 68 2.778 -5.440 -6.495 1.00 0.00 O ATOM 866 CB THR A 68 0.988 -6.525 -8.505 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.232 -6.130 -9.148 1.00 0.00 O ATOM 868 CG2 THR A 68 1.470 -7.840 -9.094 1.00 0.00 C ATOM 0 H THR A 68 -0.122 -4.761 -6.914 1.00 0.00 H new ATOM 0 HA THR A 68 0.387 -7.654 -6.775 1.00 0.00 H new ATOM 0 HB THR A 68 1.752 -5.766 -8.674 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.082 -6.048 -10.113 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.621 -7.724 -10.167 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.411 -8.126 -8.624 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.725 -8.614 -8.914 1.00 0.00 H new ATOM 876 N VAL A 69 2.435 -7.356 -5.368 1.00 0.00 N ATOM 877 CA VAL A 69 3.676 -7.245 -4.613 1.00 0.00 C ATOM 878 C VAL A 69 4.853 -7.821 -5.407 1.00 0.00 C ATOM 879 O VAL A 69 4.885 -9.006 -5.742 1.00 0.00 O ATOM 880 CB VAL A 69 3.566 -7.921 -3.218 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.133 -9.375 -3.329 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.882 -7.810 -2.463 1.00 0.00 C ATOM 0 H VAL A 69 1.877 -8.181 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 69 3.861 -6.184 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 69 2.796 -7.391 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.068 -9.812 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.158 -9.428 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.863 -9.928 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.784 -8.289 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.671 -8.302 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.135 -6.759 -2.326 1.00 0.00 H new ATOM 892 N ARG A 70 5.806 -6.962 -5.728 1.00 0.00 N ATOM 893 CA ARG A 70 6.980 -7.361 -6.480 1.00 0.00 C ATOM 894 C ARG A 70 8.193 -7.415 -5.559 1.00 0.00 C ATOM 895 O ARG A 70 8.137 -6.939 -4.422 1.00 0.00 O ATOM 896 CB ARG A 70 7.242 -6.370 -7.616 1.00 0.00 C ATOM 897 CG ARG A 70 5.981 -5.836 -8.279 1.00 0.00 C ATOM 898 CD ARG A 70 6.310 -5.057 -9.539 1.00 0.00 C ATOM 899 NE ARG A 70 6.900 -5.911 -10.562 1.00 0.00 N ATOM 900 CZ ARG A 70 6.702 -5.758 -11.871 1.00 0.00 C ATOM 901 NH1 ARG A 70 5.933 -4.780 -12.329 1.00 0.00 N ATOM 902 NH2 ARG A 70 7.271 -6.594 -12.724 1.00 0.00 N ATOM 0 H ARG A 70 5.787 -5.974 -5.475 1.00 0.00 H new ATOM 0 HA ARG A 70 6.804 -8.350 -6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.817 -5.531 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.859 -6.856 -8.372 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.317 -6.665 -8.524 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.444 -5.193 -7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.403 -4.596 -9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.000 -4.249 -9.297 1.00 0.00 H new ATOM 0 HE ARG A 70 7.503 -6.675 -10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.486 -4.135 -11.677 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.789 -4.672 -13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.859 -7.353 -12.379 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.122 -6.480 -13.727 1.00 0.00 H new ATOM 916 N ARG A 71 9.280 -7.993 -6.048 1.00 0.00 N ATOM 917 CA ARG A 71 10.507 -8.093 -5.269 1.00 0.00 C ATOM 918 C ARG A 71 11.246 -6.756 -5.300 1.00 0.00 C ATOM 919 O ARG A 71 11.720 -6.266 -4.276 1.00 0.00 O ATOM 920 CB ARG A 71 11.402 -9.202 -5.824 1.00 0.00 C ATOM 921 CG ARG A 71 12.388 -9.760 -4.811 1.00 0.00 C ATOM 922 CD ARG A 71 11.768 -10.880 -3.984 1.00 0.00 C ATOM 923 NE ARG A 71 11.327 -12.005 -4.809 1.00 0.00 N ATOM 924 CZ ARG A 71 11.217 -13.263 -4.364 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.534 -13.568 -3.109 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.784 -14.219 -5.174 1.00 0.00 N ATOM 0 H ARG A 71 9.338 -8.400 -6.981 1.00 0.00 H new ATOM 0 HA ARG A 71 10.252 -8.338 -4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.774 -10.014 -6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.955 -8.815 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.270 -10.135 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.723 -8.961 -4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.495 -11.233 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.918 -10.488 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 71 11.089 -11.819 -5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.865 -12.840 -2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.447 -14.530 -2.780 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.534 -13.997 -6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.701 -15.177 -4.834 1.00 0.00 H new ATOM 940 N SER A 72 11.329 -6.175 -6.484 1.00 0.00 N ATOM 941 CA SER A 72 11.988 -4.892 -6.671 1.00 0.00 C ATOM 942 C SER A 72 10.979 -3.881 -7.217 1.00 0.00 C ATOM 943 O SER A 72 10.188 -4.212 -8.103 1.00 0.00 O ATOM 944 CB SER A 72 13.170 -5.035 -7.635 1.00 0.00 C ATOM 945 OG SER A 72 13.967 -6.170 -7.306 1.00 0.00 O ATOM 0 H SER A 72 10.944 -6.576 -7.339 1.00 0.00 H new ATOM 0 HA SER A 72 12.370 -4.541 -5.712 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.801 -5.130 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.783 -4.134 -7.600 1.00 0.00 H new ATOM 0 HG SER A 72 14.536 -5.958 -6.537 1.00 0.00 H new ATOM 951 N PHE A 73 10.994 -2.661 -6.686 1.00 0.00 N ATOM 952 CA PHE A 73 10.051 -1.635 -7.123 1.00 0.00 C ATOM 953 C PHE A 73 10.581 -0.232 -6.848 1.00 0.00 C ATOM 954 O PHE A 73 11.502 -0.047 -6.054 1.00 0.00 O ATOM 955 CB PHE A 73 8.699 -1.830 -6.421 1.00 0.00 C ATOM 956 CG PHE A 73 8.759 -1.674 -4.921 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.255 -2.695 -4.118 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.323 -0.507 -4.313 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.310 -2.551 -2.744 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.376 -0.360 -2.941 1.00 0.00 C ATOM 961 CZ PHE A 73 8.870 -1.382 -2.156 1.00 0.00 C ATOM 0 H PHE A 73 11.643 -2.360 -5.959 1.00 0.00 H new ATOM 0 HA PHE A 73 9.921 -1.739 -8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.985 -1.111 -6.823 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.318 -2.823 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.601 -3.611 -4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.937 0.298 -4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.697 -3.352 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.031 0.555 -2.482 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.912 -1.267 -1.083 1.00 0.00 H new ATOM 971 N GLU A 74 10.001 0.746 -7.526 1.00 0.00 N ATOM 972 CA GLU A 74 10.390 2.138 -7.362 1.00 0.00 C ATOM 973 C GLU A 74 9.751 2.702 -6.102 1.00 0.00 C ATOM 974 O GLU A 74 8.576 2.456 -5.836 1.00 0.00 O ATOM 975 CB GLU A 74 9.961 2.966 -8.581 1.00 0.00 C ATOM 976 CG GLU A 74 9.996 2.199 -9.892 1.00 0.00 C ATOM 977 CD GLU A 74 8.672 1.532 -10.212 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.430 0.403 -9.725 1.00 0.00 O ATOM 979 OE2 GLU A 74 7.866 2.134 -10.946 1.00 0.00 O ATOM 0 H GLU A 74 9.251 0.599 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 74 11.475 2.190 -7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.950 3.339 -8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.612 3.836 -8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.260 2.880 -10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.778 1.442 -9.845 1.00 0.00 H new ATOM 986 N GLY A 75 10.519 3.451 -5.329 1.00 0.00 N ATOM 987 CA GLY A 75 9.996 4.017 -4.105 1.00 0.00 C ATOM 988 C GLY A 75 9.679 5.490 -4.237 1.00 0.00 C ATOM 989 O GLY A 75 10.517 6.272 -4.694 1.00 0.00 O ATOM 0 H GLY A 75 11.494 3.677 -5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.093 3.479 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.721 3.875 -3.304 1.00 0.00 H new ATOM 993 N PHE A 76 8.476 5.873 -3.825 1.00 0.00 N ATOM 994 CA PHE A 76 8.043 7.262 -3.895 1.00 0.00 C ATOM 995 C PHE A 76 7.449 7.679 -2.559 1.00 0.00 C ATOM 996 O PHE A 76 6.845 6.855 -1.865 1.00 0.00 O ATOM 997 CB PHE A 76 7.011 7.454 -5.015 1.00 0.00 C ATOM 998 CG PHE A 76 7.595 7.908 -6.326 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.528 7.132 -6.993 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.195 9.105 -6.895 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.058 7.546 -8.199 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.721 9.525 -8.101 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.652 8.742 -8.756 1.00 0.00 C ATOM 0 H PHE A 76 7.780 5.236 -3.437 1.00 0.00 H new ATOM 0 HA PHE A 76 8.907 7.888 -4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.484 6.513 -5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.270 8.184 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.845 6.192 -6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.463 9.718 -6.390 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.790 6.935 -8.706 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.405 10.464 -8.531 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.061 9.065 -9.702 1.00 0.00 H new ATOM 1013 N LEU A 77 7.625 8.940 -2.201 1.00 0.00 N ATOM 1014 CA LEU A 77 7.110 9.454 -0.942 1.00 0.00 C ATOM 1015 C LEU A 77 5.605 9.699 -1.032 1.00 0.00 C ATOM 1016 O LEU A 77 5.012 9.587 -2.109 1.00 0.00 O ATOM 1017 CB LEU A 77 7.851 10.736 -0.546 1.00 0.00 C ATOM 1018 CG LEU A 77 9.369 10.593 -0.439 1.00 0.00 C ATOM 1019 CD1 LEU A 77 10.013 11.943 -0.182 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.746 9.600 0.650 1.00 0.00 C ATOM 0 H LEU A 77 8.122 9.629 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 77 7.282 8.706 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.624 11.511 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.464 11.081 0.413 1.00 0.00 H new ATOM 0 HG LEU A 77 9.743 10.208 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.094 11.822 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.778 12.620 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.630 12.357 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.831 9.516 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.359 9.946 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.318 8.625 0.417 1.00 0.00 H new ATOM 1032 N PHE A 78 4.993 10.042 0.096 1.00 0.00 N ATOM 1033 CA PHE A 78 3.556 10.269 0.148 1.00 0.00 C ATOM 1034 C PHE A 78 3.183 11.612 -0.468 1.00 0.00 C ATOM 1035 O PHE A 78 2.085 11.779 -0.998 1.00 0.00 O ATOM 1036 CB PHE A 78 3.063 10.199 1.592 1.00 0.00 C ATOM 1037 CG PHE A 78 1.646 9.723 1.718 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.335 8.388 1.527 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.625 10.610 2.023 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.030 7.944 1.638 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.681 10.170 2.135 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.979 8.837 1.941 1.00 0.00 C ATOM 0 H PHE A 78 5.472 10.169 0.988 1.00 0.00 H new ATOM 0 HA PHE A 78 3.072 9.485 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.714 9.532 2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.148 11.187 2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.120 7.685 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.852 11.655 2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.200 6.900 1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.468 10.870 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.999 8.493 2.026 1.00 0.00 H new ATOM 1052 N ASP A 79 4.103 12.559 -0.409 1.00 0.00 N ATOM 1053 CA ASP A 79 3.868 13.889 -0.956 1.00 0.00 C ATOM 1054 C ASP A 79 3.991 13.886 -2.480 1.00 0.00 C ATOM 1055 O ASP A 79 3.417 14.743 -3.156 1.00 0.00 O ATOM 1056 CB ASP A 79 4.843 14.902 -0.345 1.00 0.00 C ATOM 1057 CG ASP A 79 6.222 14.846 -0.970 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.785 13.740 -1.097 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.758 15.911 -1.326 1.00 0.00 O ATOM 0 H ASP A 79 5.023 12.434 0.013 1.00 0.00 H new ATOM 0 HA ASP A 79 2.851 14.183 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.437 15.906 -0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.927 14.717 0.726 1.00 0.00 H new ATOM 1064 N GLY A 80 4.730 12.920 -3.014 1.00 0.00 N ATOM 1065 CA GLY A 80 4.906 12.823 -4.450 1.00 0.00 C ATOM 1066 C GLY A 80 6.366 12.848 -4.855 1.00 0.00 C ATOM 1067 O GLY A 80 6.702 12.560 -6.002 1.00 0.00 O ATOM 0 H GLY A 80 5.212 12.200 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.448 11.901 -4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.383 13.648 -4.934 1.00 0.00 H new ATOM 1071 N THR A 81 7.241 13.191 -3.918 1.00 0.00 N ATOM 1072 CA THR A 81 8.669 13.250 -4.194 1.00 0.00 C ATOM 1073 C THR A 81 9.258 11.842 -4.273 1.00 0.00 C ATOM 1074 O THR A 81 8.831 10.942 -3.552 1.00 0.00 O ATOM 1075 CB THR A 81 9.398 14.069 -3.107 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.738 15.329 -2.935 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.855 14.311 -3.475 1.00 0.00 C ATOM 0 H THR A 81 6.986 13.432 -2.960 1.00 0.00 H new ATOM 0 HA THR A 81 8.810 13.743 -5.156 1.00 0.00 H new ATOM 0 HB THR A 81 9.371 13.498 -2.179 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.285 15.345 -2.066 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.338 14.890 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.366 13.355 -3.587 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.906 14.862 -4.414 1.00 0.00 H new ATOM 1085 N ARG A 82 10.214 11.642 -5.168 1.00 0.00 N ATOM 1086 CA ARG A 82 10.847 10.337 -5.317 1.00 0.00 C ATOM 1087 C ARG A 82 12.093 10.254 -4.445 1.00 0.00 C ATOM 1088 O ARG A 82 12.721 11.272 -4.151 1.00 0.00 O ATOM 1089 CB ARG A 82 11.196 10.067 -6.780 1.00 0.00 C ATOM 1090 CG ARG A 82 12.088 11.119 -7.419 1.00 0.00 C ATOM 1091 CD ARG A 82 12.293 10.838 -8.898 1.00 0.00 C ATOM 1092 NE ARG A 82 13.040 9.603 -9.124 1.00 0.00 N ATOM 1093 CZ ARG A 82 12.767 8.724 -10.088 1.00 0.00 C ATOM 1094 NH1 ARG A 82 11.767 8.940 -10.936 1.00 0.00 N ATOM 1095 NH2 ARG A 82 13.505 7.630 -10.203 1.00 0.00 N ATOM 0 H ARG A 82 10.568 12.361 -5.799 1.00 0.00 H new ATOM 0 HA ARG A 82 10.142 9.572 -4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.691 9.098 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.272 9.995 -7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.641 12.105 -7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.053 11.138 -6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.323 10.770 -9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.826 11.672 -9.355 1.00 0.00 H new ATOM 0 HE ARG A 82 13.823 9.400 -8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.201 9.784 -10.852 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.566 8.262 -11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.276 7.465 -9.556 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.302 6.953 -10.938 1.00 0.00 H new ATOM 1109 N TRP A 83 12.452 9.046 -4.035 1.00 0.00 N ATOM 1110 CA TRP A 83 13.616 8.854 -3.180 1.00 0.00 C ATOM 1111 C TRP A 83 14.621 7.900 -3.820 1.00 0.00 C ATOM 1112 O TRP A 83 15.781 8.253 -4.029 1.00 0.00 O ATOM 1113 CB TRP A 83 13.185 8.316 -1.814 1.00 0.00 C ATOM 1114 CG TRP A 83 14.212 8.516 -0.741 1.00 0.00 C ATOM 1115 CD1 TRP A 83 15.314 7.748 -0.506 1.00 0.00 C ATOM 1116 CD2 TRP A 83 14.226 9.552 0.250 1.00 0.00 C ATOM 1117 NE1 TRP A 83 16.014 8.245 0.564 1.00 0.00 N ATOM 1118 CE2 TRP A 83 15.365 9.351 1.047 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.385 10.631 0.538 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 15.685 10.186 2.114 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.703 11.460 1.597 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.846 11.234 2.374 1.00 0.00 C ATOM 0 H TRP A 83 11.957 8.188 -4.279 1.00 0.00 H new ATOM 0 HA TRP A 83 14.100 9.822 -3.050 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.259 8.807 -1.515 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.968 7.252 -1.904 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.595 6.876 -1.078 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.878 7.854 0.939 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.502 10.814 -0.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.565 10.012 2.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.060 12.296 1.829 1.00 0.00 H new ATOM 0 HH2 TRP A 83 15.069 11.900 3.194 1.00 0.00 H new ATOM 1133 N GLY A 84 14.175 6.688 -4.117 1.00 0.00 N ATOM 1134 CA GLY A 84 15.046 5.702 -4.722 1.00 0.00 C ATOM 1135 C GLY A 84 14.356 4.367 -4.876 1.00 0.00 C ATOM 1136 O GLY A 84 13.246 4.181 -4.373 1.00 0.00 O ATOM 0 H GLY A 84 13.221 6.369 -3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.374 6.057 -5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.940 5.581 -4.110 1.00 0.00 H new ATOM 1140 N THR A 85 14.993 3.451 -5.582 1.00 0.00 N ATOM 1141 CA THR A 85 14.433 2.128 -5.796 1.00 0.00 C ATOM 1142 C THR A 85 14.506 1.289 -4.521 1.00 0.00 C ATOM 1143 O THR A 85 15.498 1.334 -3.787 1.00 0.00 O ATOM 1144 CB THR A 85 15.181 1.409 -6.931 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.980 2.356 -7.651 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.212 0.732 -7.889 1.00 0.00 C ATOM 0 H THR A 85 15.903 3.599 -6.019 1.00 0.00 H new ATOM 0 HA THR A 85 13.386 2.248 -6.073 1.00 0.00 H new ATOM 0 HB THR A 85 15.816 0.642 -6.489 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.458 1.898 -8.373 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.772 0.233 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.617 -0.002 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.552 1.480 -8.328 1.00 0.00 H new ATOM 1154 N VAL A 86 13.452 0.532 -4.261 1.00 0.00 N ATOM 1155 CA VAL A 86 13.387 -0.315 -3.083 1.00 0.00 C ATOM 1156 C VAL A 86 13.422 -1.779 -3.504 1.00 0.00 C ATOM 1157 O VAL A 86 13.030 -2.118 -4.623 1.00 0.00 O ATOM 1158 CB VAL A 86 12.110 -0.054 -2.253 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.349 -0.366 -0.783 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.630 1.376 -2.420 1.00 0.00 C ATOM 0 H VAL A 86 12.624 0.488 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 86 14.248 -0.078 -2.458 1.00 0.00 H new ATOM 0 HB VAL A 86 11.330 -0.718 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.437 -0.175 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.631 -1.413 -0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.151 0.267 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.730 1.530 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.408 2.062 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.407 1.564 -3.470 1.00 0.00 H new ATOM 1170 N ASP A 87 13.893 -2.639 -2.617 1.00 0.00 N ATOM 1171 CA ASP A 87 13.986 -4.059 -2.912 1.00 0.00 C ATOM 1172 C ASP A 87 13.663 -4.886 -1.671 1.00 0.00 C ATOM 1173 O ASP A 87 14.109 -4.562 -0.569 1.00 0.00 O ATOM 1174 CB ASP A 87 15.390 -4.389 -3.418 1.00 0.00 C ATOM 1175 CG ASP A 87 15.541 -5.844 -3.775 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.197 -6.219 -4.912 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.011 -6.623 -2.920 1.00 0.00 O ATOM 0 H ASP A 87 14.217 -2.379 -1.686 1.00 0.00 H new ATOM 0 HA ASP A 87 13.260 -4.307 -3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.612 -3.778 -4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.121 -4.127 -2.653 1.00 0.00 H new ATOM 1182 N CYS A 88 12.894 -5.953 -1.858 1.00 0.00 N ATOM 1183 CA CYS A 88 12.501 -6.824 -0.755 1.00 0.00 C ATOM 1184 C CYS A 88 12.997 -8.258 -0.964 1.00 0.00 C ATOM 1185 O CYS A 88 12.313 -9.219 -0.612 1.00 0.00 O ATOM 1186 CB CYS A 88 10.973 -6.814 -0.584 1.00 0.00 C ATOM 1187 SG CYS A 88 10.344 -5.496 0.514 1.00 0.00 S ATOM 0 H CYS A 88 12.529 -6.237 -2.767 1.00 0.00 H new ATOM 0 HA CYS A 88 12.966 -6.438 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.511 -6.704 -1.565 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.658 -7.780 -0.189 1.00 0.00 H new ATOM 1192 N THR A 89 14.188 -8.409 -1.538 1.00 0.00 N ATOM 1193 CA THR A 89 14.757 -9.736 -1.761 1.00 0.00 C ATOM 1194 C THR A 89 15.293 -10.316 -0.448 1.00 0.00 C ATOM 1195 O THR A 89 15.328 -11.530 -0.258 1.00 0.00 O ATOM 1196 CB THR A 89 15.886 -9.707 -2.818 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.457 -8.969 -3.972 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.283 -11.116 -3.244 1.00 0.00 C ATOM 0 H THR A 89 14.774 -7.636 -1.855 1.00 0.00 H new ATOM 0 HA THR A 89 13.957 -10.372 -2.139 1.00 0.00 H new ATOM 0 HB THR A 89 16.752 -9.223 -2.367 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.915 -8.103 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.078 -11.061 -3.987 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.636 -11.673 -2.376 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.419 -11.623 -3.674 1.00 0.00 H new ATOM 1206 N THR A 90 15.706 -9.439 0.457 1.00 0.00 N ATOM 1207 CA THR A 90 16.219 -9.861 1.751 1.00 0.00 C ATOM 1208 C THR A 90 15.530 -9.067 2.862 1.00 0.00 C ATOM 1209 O THR A 90 15.898 -9.148 4.037 1.00 0.00 O ATOM 1210 CB THR A 90 17.758 -9.687 1.838 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.296 -10.502 2.891 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.144 -8.232 2.070 1.00 0.00 C ATOM 0 H THR A 90 15.695 -8.429 0.317 1.00 0.00 H new ATOM 0 HA THR A 90 16.001 -10.922 1.874 1.00 0.00 H new ATOM 0 HB THR A 90 18.177 -10.004 0.883 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.756 -10.389 3.701 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.229 -8.148 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.775 -7.622 1.246 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.705 -7.884 3.005 1.00 0.00 H new ATOM 1220 N ALA A 91 14.504 -8.316 2.477 1.00 0.00 N ATOM 1221 CA ALA A 91 13.755 -7.496 3.416 1.00 0.00 C ATOM 1222 C ALA A 91 12.268 -7.782 3.303 1.00 0.00 C ATOM 1223 O ALA A 91 11.823 -8.430 2.353 1.00 0.00 O ATOM 1224 CB ALA A 91 14.033 -6.019 3.172 1.00 0.00 C ATOM 0 H ALA A 91 14.172 -8.260 1.514 1.00 0.00 H new ATOM 0 HA ALA A 91 14.078 -7.746 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.465 -5.419 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.097 -5.823 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.736 -5.756 2.157 1.00 0.00 H new ATOM 1230 N ALA A 92 11.502 -7.311 4.273 1.00 0.00 N ATOM 1231 CA ALA A 92 10.066 -7.520 4.274 1.00 0.00 C ATOM 1232 C ALA A 92 9.337 -6.299 3.724 1.00 0.00 C ATOM 1233 O ALA A 92 9.698 -5.159 4.019 1.00 0.00 O ATOM 1234 CB ALA A 92 9.579 -7.846 5.676 1.00 0.00 C ATOM 0 H ALA A 92 11.853 -6.781 5.071 1.00 0.00 H new ATOM 0 HA ALA A 92 9.845 -8.366 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.500 -8.000 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.070 -8.753 6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.818 -7.019 6.345 1.00 0.00 H new ATOM 1240 N CYS A 93 8.318 -6.550 2.917 1.00 0.00 N ATOM 1241 CA CYS A 93 7.518 -5.484 2.326 1.00 0.00 C ATOM 1242 C CYS A 93 6.178 -5.406 3.052 1.00 0.00 C ATOM 1243 O CYS A 93 5.640 -6.429 3.468 1.00 0.00 O ATOM 1244 CB CYS A 93 7.296 -5.746 0.826 1.00 0.00 C ATOM 1245 SG CYS A 93 8.541 -4.994 -0.283 1.00 0.00 S ATOM 0 H CYS A 93 8.022 -7.490 2.654 1.00 0.00 H new ATOM 0 HA CYS A 93 8.046 -4.536 2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.286 -6.823 0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.311 -5.371 0.549 1.00 0.00 H new ATOM 1250 N GLN A 94 5.647 -4.206 3.234 1.00 0.00 N ATOM 1251 CA GLN A 94 4.370 -4.056 3.916 1.00 0.00 C ATOM 1252 C GLN A 94 3.351 -3.345 3.035 1.00 0.00 C ATOM 1253 O GLN A 94 3.707 -2.580 2.140 1.00 0.00 O ATOM 1254 CB GLN A 94 4.539 -3.310 5.246 1.00 0.00 C ATOM 1255 CG GLN A 94 5.163 -1.933 5.110 1.00 0.00 C ATOM 1256 CD GLN A 94 5.350 -1.239 6.444 1.00 0.00 C ATOM 1257 OE1 GLN A 94 4.438 -1.475 7.375 1.00 0.00 O flip ATOM 1258 NE2 GLN A 94 6.303 -0.489 6.634 1.00 0.00 N flip ATOM 0 H GLN A 94 6.073 -3.333 2.924 1.00 0.00 H new ATOM 0 HA GLN A 94 3.995 -5.057 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.563 -3.209 5.720 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.156 -3.913 5.912 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.130 -2.024 4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.533 -1.315 4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.985 -0.333 5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.413 -0.022 7.534 1.00 0.00 H new ATOM 1267 N VAL A 95 2.083 -3.621 3.288 1.00 0.00 N ATOM 1268 CA VAL A 95 1.002 -3.012 2.532 1.00 0.00 C ATOM 1269 C VAL A 95 0.701 -1.615 3.062 1.00 0.00 C ATOM 1270 O VAL A 95 0.236 -1.460 4.192 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.281 -3.868 2.596 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.350 -3.314 1.665 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.025 -5.319 2.256 1.00 0.00 C ATOM 0 H VAL A 95 1.776 -4.267 4.015 1.00 0.00 H new ATOM 0 HA VAL A 95 1.327 -2.947 1.494 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.665 -3.827 3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.244 -3.934 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.595 -2.293 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.978 -3.317 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.892 -5.906 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.438 -5.377 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.749 -5.715 2.968 1.00 0.00 H new ATOM 1283 N GLY A 96 0.992 -0.607 2.253 1.00 0.00 N ATOM 1284 CA GLY A 96 0.741 0.758 2.649 1.00 0.00 C ATOM 1285 C GLY A 96 -0.584 1.256 2.123 1.00 0.00 C ATOM 1286 O GLY A 96 -0.765 1.409 0.914 1.00 0.00 O ATOM 0 H GLY A 96 1.400 -0.714 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.751 0.829 3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.543 1.398 2.280 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.512 1.504 3.029 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.837 1.975 2.663 1.00 0.00 C ATOM 1292 C LEU A 97 -3.206 3.218 3.463 1.00 0.00 C ATOM 1293 O LEU A 97 -3.261 3.181 4.691 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.883 0.871 2.889 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.388 -0.376 3.636 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.205 -0.091 5.120 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.352 -1.534 3.431 1.00 0.00 C ATOM 0 H LEU A 97 -1.371 1.386 4.032 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.825 2.234 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.718 1.297 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.271 0.560 1.919 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.417 -0.652 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.854 -0.992 5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.473 0.706 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.157 0.218 5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.987 -2.410 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.336 -1.260 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.425 -1.763 2.368 1.00 0.00 H new ATOM 1309 N SER A 98 -3.427 4.326 2.771 1.00 0.00 N ATOM 1310 CA SER A 98 -3.794 5.576 3.425 1.00 0.00 C ATOM 1311 C SER A 98 -4.605 6.457 2.481 1.00 0.00 C ATOM 1312 O SER A 98 -4.506 6.329 1.260 1.00 0.00 O ATOM 1313 CB SER A 98 -2.544 6.318 3.899 1.00 0.00 C ATOM 1314 OG SER A 98 -1.821 5.541 4.837 1.00 0.00 O ATOM 0 H SER A 98 -3.359 4.386 1.755 1.00 0.00 H new ATOM 0 HA SER A 98 -4.410 5.341 4.293 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.908 6.549 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.829 7.268 4.351 1.00 0.00 H new ATOM 0 HG SER A 98 -1.025 6.034 5.126 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.418 7.333 3.052 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.243 8.240 2.263 1.00 0.00 C ATOM 1322 C ASP A 99 -5.435 9.463 1.842 1.00 0.00 C ATOM 1323 O ASP A 99 -4.224 9.512 2.052 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.473 8.670 3.067 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.186 9.823 4.009 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.410 9.640 4.973 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.727 10.923 3.784 1.00 0.00 O ATOM 0 H ASP A 99 -5.525 7.436 4.061 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.575 7.717 1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.268 8.958 2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.841 7.820 3.642 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.113 10.447 1.257 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.460 11.671 0.812 1.00 0.00 C ATOM 1334 C ALA A 100 -4.803 12.400 1.983 1.00 0.00 C ATOM 1335 O ALA A 100 -3.739 13.001 1.826 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.454 12.582 0.109 1.00 0.00 C ATOM 0 H ALA A 100 -7.117 10.418 1.081 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.679 11.396 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.948 13.491 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.869 12.068 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.259 12.841 0.796 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.438 12.349 3.153 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.896 12.994 4.344 1.00 0.00 C ATOM 1344 C ALA A 101 -3.670 12.240 4.843 1.00 0.00 C ATOM 1345 O ALA A 101 -2.718 12.840 5.343 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.946 13.082 5.441 1.00 0.00 C ATOM 0 H ALA A 101 -6.326 11.869 3.300 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.600 14.008 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.516 13.567 6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.796 13.664 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.279 12.079 5.708 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.703 10.920 4.706 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.581 10.105 5.126 1.00 0.00 C ATOM 1354 C GLY A 102 -2.898 9.204 6.300 1.00 0.00 C ATOM 1355 O GLY A 102 -1.997 8.812 7.045 1.00 0.00 O ATOM 0 H GLY A 102 -4.487 10.400 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.252 9.493 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.748 10.756 5.392 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.169 8.870 6.477 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.577 8.002 7.576 1.00 0.00 C ATOM 1361 C ASN A 103 -5.376 6.818 7.046 1.00 0.00 C ATOM 1362 O ASN A 103 -5.567 6.680 5.834 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.419 8.772 8.599 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.715 9.996 9.153 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.918 9.900 10.087 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.028 11.158 8.600 1.00 0.00 N ATOM 0 H ASN A 103 -4.932 9.184 5.878 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.675 7.638 8.069 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.355 9.079 8.132 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.677 8.106 9.422 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.604 12.018 8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.693 11.192 7.828 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.838 5.966 7.951 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.611 4.810 7.552 1.00 0.00 C ATOM 1375 C GLY A 104 -6.212 3.570 8.327 1.00 0.00 C ATOM 1376 O GLY A 104 -5.904 3.660 9.516 1.00 0.00 O ATOM 0 H GLY A 104 -5.690 6.056 8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.671 5.010 7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.474 4.632 6.485 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.210 2.398 7.681 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.831 1.139 8.323 1.00 0.00 C ATOM 1382 C PRO A 105 -4.327 1.058 8.556 1.00 0.00 C ATOM 1383 O PRO A 105 -3.553 1.817 7.966 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.281 0.059 7.326 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.067 0.778 6.275 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.581 2.196 6.281 1.00 0.00 C ATOM 0 HA PRO A 105 -6.289 1.029 9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.423 -0.454 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.889 -0.700 7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.918 0.320 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.135 0.732 6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.732 2.337 5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.357 2.892 5.962 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.916 0.139 9.415 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.505 -0.036 9.728 1.00 0.00 C ATOM 1396 C GLU A 106 -1.794 -0.860 8.658 1.00 0.00 C ATOM 1397 O GLU A 106 -2.415 -1.662 7.958 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.343 -0.707 11.087 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.285 0.274 12.243 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.867 -0.382 13.540 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.990 -1.272 13.503 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -2.402 -0.008 14.605 1.00 0.00 O ATOM 0 H GLU A 106 -4.540 -0.499 9.909 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.048 0.953 9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.174 -1.394 11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.432 -1.305 11.082 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.584 1.073 12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.264 0.736 12.372 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.486 -0.660 8.548 1.00 0.00 N ATOM 1410 CA GLY A 107 0.299 -1.376 7.566 1.00 0.00 C ATOM 1411 C GLY A 107 0.545 -2.818 7.960 1.00 0.00 C ATOM 1412 O GLY A 107 0.974 -3.103 9.080 1.00 0.00 O ATOM 0 H GLY A 107 0.046 -0.010 9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.214 -1.348 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.256 -0.871 7.432 1.00 0.00 H new ATOM 1416 N VAL A 108 0.268 -3.725 7.038 1.00 0.00 N ATOM 1417 CA VAL A 108 0.464 -5.146 7.274 1.00 0.00 C ATOM 1418 C VAL A 108 1.736 -5.612 6.572 1.00 0.00 C ATOM 1419 O VAL A 108 1.852 -5.503 5.350 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.744 -5.970 6.772 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.503 -7.461 6.955 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.016 -5.545 7.491 1.00 0.00 C ATOM 0 H VAL A 108 -0.096 -3.500 6.112 1.00 0.00 H new ATOM 0 HA VAL A 108 0.558 -5.304 8.348 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.865 -5.775 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.368 -8.016 6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.381 -7.759 6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.348 -7.678 8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.856 -6.136 7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.899 -5.706 8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.206 -4.488 7.301 1.00 0.00 H new ATOM 1432 N ALA A 109 2.691 -6.110 7.344 1.00 0.00 N ATOM 1433 CA ALA A 109 3.955 -6.574 6.788 1.00 0.00 C ATOM 1434 C ALA A 109 3.858 -8.024 6.328 1.00 0.00 C ATOM 1435 O ALA A 109 3.261 -8.865 7.007 1.00 0.00 O ATOM 1436 CB ALA A 109 5.066 -6.417 7.811 1.00 0.00 C ATOM 0 H ALA A 109 2.615 -6.203 8.357 1.00 0.00 H new ATOM 0 HA ALA A 109 4.186 -5.962 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.006 -6.767 7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.161 -5.367 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.829 -7.004 8.698 1.00 0.00 H new ATOM 1442 N ILE A 110 4.445 -8.303 5.171 1.00 0.00 N ATOM 1443 CA ILE A 110 4.444 -9.640 4.597 1.00 0.00 C ATOM 1444 C ILE A 110 5.857 -10.026 4.173 1.00 0.00 C ATOM 1445 O ILE A 110 6.687 -9.160 3.884 1.00 0.00 O ATOM 1446 CB ILE A 110 3.495 -9.743 3.379 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.905 -8.750 2.282 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.055 -9.509 3.811 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.983 -8.752 1.079 1.00 0.00 C ATOM 0 H ILE A 110 4.934 -7.609 4.606 1.00 0.00 H new ATOM 0 HA ILE A 110 4.085 -10.326 5.364 1.00 0.00 H new ATOM 0 HB ILE A 110 3.572 -10.749 2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.932 -7.746 2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.917 -8.984 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.398 -9.584 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.770 -10.259 4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.964 -8.516 4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.337 -8.026 0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.974 -9.745 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.974 -8.487 1.394 1.00 0.00 H new ATOM 1461 N SER A 111 6.138 -11.318 4.156 1.00 0.00 N ATOM 1462 CA SER A 111 7.454 -11.804 3.770 1.00 0.00 C ATOM 1463 C SER A 111 7.328 -12.951 2.774 1.00 0.00 C ATOM 1464 O SER A 111 6.371 -13.728 2.829 1.00 0.00 O ATOM 1465 CB SER A 111 8.232 -12.252 5.008 1.00 0.00 C ATOM 1466 OG SER A 111 8.160 -11.268 6.030 1.00 0.00 O ATOM 0 H SER A 111 5.473 -12.050 4.405 1.00 0.00 H new ATOM 0 HA SER A 111 8.000 -10.992 3.289 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.828 -13.195 5.376 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.274 -12.433 4.743 1.00 0.00 H new ATOM 0 HG SER A 111 8.662 -11.573 6.814 1.00 0.00 H new ATOM 1472 N PHE A 112 8.296 -13.047 1.871 1.00 0.00 N ATOM 1473 CA PHE A 112 8.293 -14.087 0.848 1.00 0.00 C ATOM 1474 C PHE A 112 8.776 -15.418 1.423 1.00 0.00 C ATOM 1475 O PHE A 112 9.312 -15.467 2.535 1.00 0.00 O ATOM 1476 CB PHE A 112 9.176 -13.673 -0.335 1.00 0.00 C ATOM 1477 CG PHE A 112 8.773 -12.369 -0.966 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.567 -12.251 -1.636 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.603 -11.266 -0.892 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.197 -11.057 -2.221 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.240 -10.068 -1.474 1.00 0.00 C ATOM 1482 CZ PHE A 112 8.033 -9.963 -2.141 1.00 0.00 C ATOM 0 H PHE A 112 9.096 -12.416 1.826 1.00 0.00 H new ATOM 0 HA PHE A 112 7.269 -14.215 0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.209 -13.598 0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 112 9.145 -14.457 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.908 -13.104 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.547 -11.342 -0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.254 -10.979 -2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.898 -9.214 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.746 -9.027 -2.598 1.00 0.00 H new ATOM 1492 N ASN A 113 8.571 -16.492 0.670 1.00 0.00 N ATOM 1493 CA ASN A 113 8.986 -17.820 1.103 1.00 0.00 C ATOM 1494 C ASN A 113 10.382 -18.133 0.584 1.00 0.00 C ATOM 1495 O ASN A 113 11.036 -19.040 1.137 1.00 0.00 O ATOM 1496 CB ASN A 113 7.998 -18.898 0.627 1.00 0.00 C ATOM 1497 CG ASN A 113 7.798 -18.912 -0.880 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.633 -19.414 -1.632 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.670 -18.387 -1.330 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.820 -17.464 -0.373 1.00 0.00 O ATOM 0 H ASN A 113 8.119 -16.469 -0.244 1.00 0.00 H new ATOM 0 HA ASN A 113 8.998 -17.825 2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.357 -19.876 0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.035 -18.737 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.469 -18.390 -2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.001 -17.979 -0.677 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.706 6.041 4.563 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.446 7.154 4.186 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.796 7.395 2.847 1.00 20.00 C HETATM 1511 C4 FLN A 114 5.355 6.424 1.808 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.575 5.281 2.278 1.00 20.00 C HETATM 1513 C2 FLN A 114 4.283 5.129 3.598 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.515 4.050 4.315 1.00 20.00 C HETATM 1515 C2' FLN A 114 2.142 4.192 4.545 1.00 20.00 C HETATM 1516 C3' FLN A 114 1.445 3.186 5.217 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.062 2.013 5.682 1.00 20.00 C HETATM 1518 C5' FLN A 114 3.435 1.915 5.428 1.00 20.00 C HETATM 1519 C6' FLN A 114 4.156 2.902 4.764 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.631 6.594 0.614 1.00 20.00 O HETATM 1521 C5 FLN A 114 6.556 8.549 2.530 1.00 20.00 C HETATM 1522 C6 FLN A 114 6.944 9.431 3.553 1.00 20.00 C HETATM 1523 C7 FLN A 114 6.572 9.156 4.886 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.826 8.021 5.206 1.00 20.00 C HETATM 0 H8 FLN A 114 5.545 7.817 6.239 1.00 20.00 H new HETATM 0 H7 FLN A 114 6.872 9.841 5.679 1.00 20.00 H new HETATM 0 H6' FLN A 114 5.225 2.775 4.596 1.00 20.00 H new HETATM 0 H6 FLN A 114 7.528 10.321 3.318 1.00 20.00 H new HETATM 0 H5' FLN A 114 3.964 1.024 5.766 1.00 20.00 H new HETATM 0 H5 FLN A 114 6.838 8.751 1.497 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.509 1.232 6.205 1.00 20.00 H new HETATM 0 H3' FLN A 114 0.376 3.316 5.388 1.00 20.00 H new HETATM 0 H3 FLN A 114 4.222 4.540 1.561 1.00 20.00 H new HETATM 0 H2' FLN A 114 1.619 5.084 4.201 1.00 20.00 H new