USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 GLN :FLIP amide:sc= -2.31 F(o=-16!,f=-14) USER MOD Set 1.2: A 48 ASN : amide:sc= -11.8! C(o=-14!,f=-14!) USER MOD Single : A 4 THR OG1 : rot -61:sc= 0.244 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 87:sc= -2.93! USER MOD Single : A 11 SER OG : rot 40:sc= -3.81! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 93:sc= -0.577! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -11.1! C(o=-11!,f=-11!) USER MOD Single : A 30 THR OG1 : rot -160:sc= -3.13! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 100:sc= -2.55! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -70:sc= -6.19! USER MOD Single : A 60 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.7) USER MOD Single : A 62 SER OG : rot 162:sc= -2.18 USER MOD Single : A 64 SER OG : rot 49:sc= 0.621 USER MOD Single : A 65 THR OG1 : rot -89:sc= -3.26! 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 -29:sc= 0.252 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -138:sc= 0.373 USER MOD Single : A 89 THR OG1 : rot -39:sc= 0.232 USER MOD Single : A 90 THR OG1 : rot 17:sc= 0.542 USER MOD Single : A 94 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 98 SER OG : rot -9:sc= -0.417 USER MOD Single : A 103 ASN : amide:sc= -2.48! C(o=-2.5!,f=-4.9!) USER MOD Single : A 111 SER OG : rot 68:sc= 0.98 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -12.080 -3.108 10.131 1.00 0.00 N ATOM 22 CA PRO A 3 -11.704 -1.714 9.970 1.00 0.00 C ATOM 23 C PRO A 3 -10.756 -1.537 8.780 1.00 0.00 C ATOM 24 O PRO A 3 -9.709 -2.179 8.715 1.00 0.00 O ATOM 25 CB PRO A 3 -11.074 -1.318 11.294 1.00 0.00 C ATOM 26 CG PRO A 3 -10.699 -2.619 11.982 1.00 0.00 C ATOM 27 CD PRO A 3 -11.405 -3.753 11.256 1.00 0.00 C ATOM 0 HA PRO A 3 -12.556 -1.073 9.744 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.196 -0.692 11.137 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.772 -0.742 11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.619 -2.765 11.959 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.995 -2.595 13.031 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.696 -4.506 10.913 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.117 -4.259 11.908 1.00 0.00 H new ATOM 35 N THR A 4 -11.159 -0.661 7.868 1.00 0.00 N ATOM 36 CA THR A 4 -10.358 -0.393 6.687 1.00 0.00 C ATOM 37 C THR A 4 -9.981 -1.700 5.988 1.00 0.00 C ATOM 38 O THR A 4 -10.297 -2.783 6.478 1.00 0.00 O ATOM 39 CB THR A 4 -9.148 0.440 7.114 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.059 -0.475 7.050 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.208 0.845 8.588 1.00 0.00 C ATOM 0 H THR A 4 -12.028 -0.130 7.925 1.00 0.00 H new ATOM 0 HA THR A 4 -10.921 0.180 5.951 1.00 0.00 H new ATOM 0 HB THR A 4 -9.085 1.334 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.214 -1.212 7.677 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.326 1.434 8.840 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.104 1.439 8.766 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.236 -0.049 9.210 1.00 0.00 H new ATOM 49 N ALA A 5 -9.312 -1.555 4.855 1.00 0.00 N ATOM 50 CA ALA A 5 -8.888 -2.712 4.085 1.00 0.00 C ATOM 51 C ALA A 5 -7.539 -3.204 4.611 1.00 0.00 C ATOM 52 O ALA A 5 -6.631 -2.408 4.844 1.00 0.00 O ATOM 53 CB ALA A 5 -8.836 -2.345 2.599 1.00 0.00 C ATOM 0 H ALA A 5 -9.053 -0.655 4.451 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.602 -3.528 4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.518 -3.213 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.825 -2.031 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.127 -1.530 2.450 1.00 0.00 H new ATOM 59 N THR A 6 -7.448 -4.515 4.781 1.00 0.00 N ATOM 60 CA THR A 6 -6.224 -5.123 5.276 1.00 0.00 C ATOM 61 C THR A 6 -5.863 -6.352 4.439 1.00 0.00 C ATOM 62 O THR A 6 -6.747 -7.059 3.956 1.00 0.00 O ATOM 63 CB THR A 6 -6.417 -5.434 6.762 1.00 0.00 C ATOM 64 OG1 THR A 6 -7.808 -5.723 6.877 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.218 -4.204 7.648 1.00 0.00 C ATOM 0 H THR A 6 -8.202 -5.173 4.585 1.00 0.00 H new ATOM 0 HA THR A 6 -5.378 -4.443 5.180 1.00 0.00 H new ATOM 0 HB THR A 6 -5.719 -6.215 7.064 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.022 -5.938 7.809 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.366 -4.480 8.692 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.207 -3.819 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.939 -3.435 7.370 1.00 0.00 H new ATOM 73 N VAL A 7 -4.564 -6.569 4.295 1.00 0.00 N ATOM 74 CA VAL A 7 -4.075 -7.701 3.526 1.00 0.00 C ATOM 75 C VAL A 7 -4.345 -8.993 4.300 1.00 0.00 C ATOM 76 O VAL A 7 -3.894 -9.147 5.434 1.00 0.00 O ATOM 77 CB VAL A 7 -2.597 -7.505 3.188 1.00 0.00 C ATOM 78 CG1 VAL A 7 -1.902 -8.851 2.963 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.428 -6.591 1.972 1.00 0.00 C ATOM 0 H VAL A 7 -3.835 -5.980 4.698 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.605 -7.774 2.576 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.121 -7.020 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.852 -8.683 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.976 -9.455 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.383 -9.375 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.367 -6.469 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.927 -7.035 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.869 -5.617 2.185 1.00 0.00 H new ATOM 89 N THR A 8 -5.080 -9.888 3.657 1.00 0.00 N ATOM 90 CA THR A 8 -5.415 -11.162 4.272 1.00 0.00 C ATOM 91 C THR A 8 -4.265 -11.647 5.155 1.00 0.00 C ATOM 92 O THR A 8 -4.390 -11.681 6.378 1.00 0.00 O ATOM 93 CB THR A 8 -5.779 -12.143 3.155 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.198 -12.051 3.061 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.525 -13.600 3.552 1.00 0.00 C ATOM 0 H THR A 8 -5.453 -9.757 2.717 1.00 0.00 H new ATOM 0 HA THR A 8 -6.274 -11.068 4.936 1.00 0.00 H new ATOM 0 HB THR A 8 -5.205 -11.904 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.519 -12.654 2.358 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.799 -14.255 2.725 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.469 -13.734 3.787 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.126 -13.849 4.427 1.00 0.00 H new ATOM 103 N PRO A 9 -3.142 -12.020 4.485 1.00 0.00 N ATOM 104 CA PRO A 9 -1.969 -12.499 5.196 1.00 0.00 C ATOM 105 C PRO A 9 -1.227 -11.345 5.872 1.00 0.00 C ATOM 106 O PRO A 9 -1.831 -10.334 6.223 1.00 0.00 O ATOM 107 CB PRO A 9 -1.134 -13.209 4.145 1.00 0.00 C ATOM 108 CG PRO A 9 -1.635 -12.703 2.804 1.00 0.00 C ATOM 109 CD PRO A 9 -2.959 -11.992 3.038 1.00 0.00 C ATOM 0 HA PRO A 9 -2.220 -13.178 6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.074 -12.989 4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.247 -14.290 4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.910 -12.022 2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.765 -13.532 2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.932 -10.969 2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.777 -12.498 2.525 1.00 0.00 H new ATOM 117 N SER A 10 0.075 -11.537 6.034 1.00 0.00 N ATOM 118 CA SER A 10 0.907 -10.525 6.661 1.00 0.00 C ATOM 119 C SER A 10 1.624 -9.699 5.590 1.00 0.00 C ATOM 120 O SER A 10 1.961 -8.538 5.818 1.00 0.00 O ATOM 121 CB SER A 10 1.924 -11.159 7.611 1.00 0.00 C ATOM 122 OG SER A 10 2.891 -11.941 6.913 1.00 0.00 O ATOM 0 H SER A 10 0.573 -12.378 5.742 1.00 0.00 H new ATOM 0 HA SER A 10 0.263 -9.869 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.430 -10.376 8.176 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.403 -11.787 8.334 1.00 0.00 H new ATOM 0 HG SER A 10 3.631 -11.366 6.626 1.00 0.00 H new ATOM 128 N SER A 11 1.833 -10.330 4.445 1.00 0.00 N ATOM 129 CA SER A 11 2.505 -9.670 3.338 1.00 0.00 C ATOM 130 C SER A 11 3.856 -9.119 3.797 1.00 0.00 C ATOM 131 O SER A 11 4.105 -8.997 4.995 1.00 0.00 O ATOM 132 CB SER A 11 1.640 -8.546 2.764 1.00 0.00 C ATOM 133 OG SER A 11 0.926 -8.959 1.602 1.00 0.00 O ATOM 0 H SER A 11 1.549 -11.292 4.259 1.00 0.00 H new ATOM 0 HA SER A 11 2.671 -10.405 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.933 -8.210 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.272 -7.693 2.517 1.00 0.00 H new ATOM 0 HG SER A 11 0.598 -9.874 1.728 1.00 0.00 H new ATOM 139 N GLY A 12 4.693 -8.802 2.820 1.00 0.00 N ATOM 140 CA GLY A 12 6.013 -8.266 3.110 1.00 0.00 C ATOM 141 C GLY A 12 7.023 -9.391 3.336 1.00 0.00 C ATOM 142 O GLY A 12 8.169 -9.300 2.895 1.00 0.00 O ATOM 0 H GLY A 12 4.483 -8.906 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.343 -7.636 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.966 -7.632 3.995 1.00 0.00 H new ATOM 146 N LEU A 13 6.564 -10.428 4.021 1.00 0.00 N ATOM 147 CA LEU A 13 7.413 -11.571 4.310 1.00 0.00 C ATOM 148 C LEU A 13 7.829 -12.235 2.997 1.00 0.00 C ATOM 149 O LEU A 13 8.822 -12.962 2.952 1.00 0.00 O ATOM 150 CB LEU A 13 6.719 -12.522 5.287 1.00 0.00 C ATOM 151 CG LEU A 13 5.314 -12.984 4.890 1.00 0.00 C ATOM 152 CD1 LEU A 13 5.347 -13.776 3.581 1.00 0.00 C ATOM 153 CD2 LEU A 13 4.659 -13.776 6.023 1.00 0.00 C ATOM 0 H LEU A 13 5.614 -10.500 4.385 1.00 0.00 H new ATOM 0 HA LEU A 13 8.327 -11.250 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.348 -13.403 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.658 -12.032 6.259 1.00 0.00 H new ATOM 0 HG LEU A 13 4.699 -12.101 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.337 -14.092 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.746 -13.147 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.982 -14.654 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.662 -14.093 5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.264 -14.653 6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.583 -13.147 6.910 1.00 0.00 H new ATOM 165 N SER A 14 7.052 -11.962 1.960 1.00 0.00 N ATOM 166 CA SER A 14 7.328 -12.527 0.647 1.00 0.00 C ATOM 167 C SER A 14 6.916 -11.538 -0.443 1.00 0.00 C ATOM 168 O SER A 14 5.727 -11.287 -0.643 1.00 0.00 O ATOM 169 CB SER A 14 6.604 -13.860 0.458 1.00 0.00 C ATOM 170 OG SER A 14 7.410 -14.809 -0.236 1.00 0.00 O ATOM 0 H SER A 14 6.231 -11.358 2.000 1.00 0.00 H new ATOM 0 HA SER A 14 8.399 -12.714 0.572 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.326 -14.263 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.679 -13.696 -0.095 1.00 0.00 H new ATOM 0 HG SER A 14 6.914 -15.648 -0.336 1.00 0.00 H new ATOM 176 N ASP A 15 7.918 -11.001 -1.124 1.00 0.00 N ATOM 177 CA ASP A 15 7.672 -10.044 -2.189 1.00 0.00 C ATOM 178 C ASP A 15 7.022 -10.763 -3.373 1.00 0.00 C ATOM 179 O ASP A 15 7.507 -10.678 -4.500 1.00 0.00 O ATOM 180 CB ASP A 15 8.980 -9.419 -2.680 1.00 0.00 C ATOM 181 CG ASP A 15 10.063 -10.419 -3.086 1.00 0.00 C ATOM 182 OD1 ASP A 15 11.161 -10.343 -2.490 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.772 -11.237 -3.986 1.00 0.00 O ATOM 0 H ASP A 15 8.902 -11.211 -0.959 1.00 0.00 H new ATOM 0 HA ASP A 15 7.022 -9.262 -1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.760 -8.778 -3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.376 -8.777 -1.893 1.00 0.00 H new ATOM 189 N GLY A 16 5.931 -11.456 -3.078 1.00 0.00 N ATOM 190 CA GLY A 16 5.208 -12.189 -4.101 1.00 0.00 C ATOM 191 C GLY A 16 3.926 -12.803 -3.534 1.00 0.00 C ATOM 192 O GLY A 16 3.419 -13.790 -4.066 1.00 0.00 O ATOM 0 H GLY A 16 5.531 -11.524 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.961 -11.521 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.844 -12.976 -4.507 1.00 0.00 H new ATOM 196 N THR A 17 3.440 -12.194 -2.463 1.00 0.00 N ATOM 197 CA THR A 17 2.227 -12.670 -1.819 1.00 0.00 C ATOM 198 C THR A 17 1.001 -11.957 -2.395 1.00 0.00 C ATOM 199 O THR A 17 0.766 -10.786 -2.102 1.00 0.00 O ATOM 200 CB THR A 17 2.387 -12.478 -0.309 1.00 0.00 C ATOM 201 OG1 THR A 17 3.742 -12.840 -0.055 1.00 0.00 O ATOM 202 CG2 THR A 17 1.573 -13.490 0.499 1.00 0.00 C ATOM 0 H THR A 17 3.863 -11.376 -2.025 1.00 0.00 H new ATOM 0 HA THR A 17 2.067 -13.731 -2.012 1.00 0.00 H new ATOM 0 HB THR A 17 2.082 -11.467 -0.037 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.307 -12.040 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.722 -13.310 1.564 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.516 -13.382 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.901 -14.500 0.253 1.00 0.00 H new ATOM 210 N VAL A 18 0.256 -12.692 -3.207 1.00 0.00 N ATOM 211 CA VAL A 18 -0.939 -12.144 -3.825 1.00 0.00 C ATOM 212 C VAL A 18 -2.166 -12.557 -3.012 1.00 0.00 C ATOM 213 O VAL A 18 -2.452 -13.744 -2.870 1.00 0.00 O ATOM 214 CB VAL A 18 -1.017 -12.584 -5.289 1.00 0.00 C ATOM 215 CG1 VAL A 18 -0.769 -14.089 -5.424 1.00 0.00 C ATOM 216 CG2 VAL A 18 -2.360 -12.193 -5.908 1.00 0.00 C ATOM 0 H VAL A 18 0.457 -13.662 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.903 -11.055 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.231 -12.064 -5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.830 -14.375 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.222 -14.330 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.522 -14.634 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.389 -12.517 -6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.168 -12.672 -5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.481 -11.111 -5.862 1.00 0.00 H new ATOM 226 N VAL A 19 -2.858 -11.552 -2.495 1.00 0.00 N ATOM 227 CA VAL A 19 -4.050 -11.796 -1.698 1.00 0.00 C ATOM 228 C VAL A 19 -5.070 -10.685 -1.963 1.00 0.00 C ATOM 229 O VAL A 19 -4.973 -9.973 -2.959 1.00 0.00 O ATOM 230 CB VAL A 19 -3.671 -11.923 -0.221 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.918 -13.227 0.042 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.858 -10.714 0.244 1.00 0.00 C ATOM 0 H VAL A 19 -2.617 -10.568 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.517 -12.739 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.593 -11.947 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.661 -13.292 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.549 -14.073 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.006 -13.248 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.602 -10.831 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.944 -10.642 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.447 -9.807 0.112 1.00 0.00 H new ATOM 242 N LYS A 20 -6.024 -10.575 -1.049 1.00 0.00 N ATOM 243 CA LYS A 20 -7.062 -9.565 -1.170 1.00 0.00 C ATOM 244 C LYS A 20 -7.063 -8.690 0.085 1.00 0.00 C ATOM 245 O LYS A 20 -6.859 -9.186 1.191 1.00 0.00 O ATOM 246 CB LYS A 20 -8.413 -10.216 -1.467 1.00 0.00 C ATOM 247 CG LYS A 20 -9.220 -9.380 -2.461 1.00 0.00 C ATOM 248 CD LYS A 20 -10.669 -9.220 -1.993 1.00 0.00 C ATOM 249 CE LYS A 20 -11.522 -10.409 -2.442 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.466 -9.999 -3.504 1.00 0.00 N ATOM 0 H LYS A 20 -6.100 -11.168 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.859 -8.910 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.257 -11.216 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.977 -10.330 -0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.760 -8.398 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.201 -9.856 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.697 -9.136 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.085 -8.296 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.878 -11.208 -2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.074 -10.810 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.036 -10.818 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.093 -9.252 -3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.934 -9.638 -4.321 1.00 0.00 H new ATOM 264 N VAL A 21 -7.297 -7.403 -0.130 1.00 0.00 N ATOM 265 CA VAL A 21 -7.329 -6.454 0.970 1.00 0.00 C ATOM 266 C VAL A 21 -8.758 -5.935 1.149 1.00 0.00 C ATOM 267 O VAL A 21 -9.118 -4.900 0.593 1.00 0.00 O ATOM 268 CB VAL A 21 -6.311 -5.337 0.727 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.090 -4.512 1.995 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.992 -5.903 0.202 1.00 0.00 C ATOM 0 H VAL A 21 -7.466 -6.996 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.041 -6.939 1.903 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.717 -4.673 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.362 -3.725 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.033 -4.063 2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.716 -5.158 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.286 -5.089 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.579 -6.599 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.169 -6.425 -0.738 1.00 0.00 H new ATOM 280 N ALA A 22 -9.530 -6.678 1.929 1.00 0.00 N ATOM 281 CA ALA A 22 -10.909 -6.306 2.186 1.00 0.00 C ATOM 282 C ALA A 22 -10.962 -5.363 3.391 1.00 0.00 C ATOM 283 O ALA A 22 -10.253 -5.567 4.375 1.00 0.00 O ATOM 284 CB ALA A 22 -11.748 -7.568 2.400 1.00 0.00 C ATOM 0 H ALA A 22 -9.226 -7.535 2.391 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.328 -5.776 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.784 -7.288 2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.701 -8.192 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.358 -8.124 3.252 1.00 0.00 H new ATOM 290 N GLY A 23 -11.806 -4.348 3.270 1.00 0.00 N ATOM 291 CA GLY A 23 -11.960 -3.372 4.336 1.00 0.00 C ATOM 292 C GLY A 23 -13.394 -2.840 4.391 1.00 0.00 C ATOM 293 O GLY A 23 -14.029 -2.658 3.354 1.00 0.00 O ATOM 0 H GLY A 23 -12.390 -4.181 2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.701 -3.828 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.267 -2.545 4.179 1.00 0.00 H new ATOM 297 N ALA A 24 -13.857 -2.606 5.608 1.00 0.00 N ATOM 298 CA ALA A 24 -15.204 -2.099 5.811 1.00 0.00 C ATOM 299 C ALA A 24 -15.139 -0.801 6.620 1.00 0.00 C ATOM 300 O ALA A 24 -14.945 -0.832 7.834 1.00 0.00 O ATOM 301 CB ALA A 24 -16.056 -3.170 6.494 1.00 0.00 C ATOM 0 H ALA A 24 -13.324 -2.758 6.465 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.675 -1.869 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.066 -2.789 6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.094 -4.060 5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.616 -3.425 7.458 1.00 0.00 H new ATOM 307 N GLY A 25 -15.307 0.307 5.913 1.00 0.00 N ATOM 308 CA GLY A 25 -15.268 1.612 6.550 1.00 0.00 C ATOM 309 C GLY A 25 -14.266 2.534 5.853 1.00 0.00 C ATOM 310 O GLY A 25 -14.080 3.679 6.264 1.00 0.00 O ATOM 0 H GLY A 25 -15.470 0.328 4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.260 2.062 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.995 1.500 7.599 1.00 0.00 H new ATOM 314 N LEU A 26 -13.646 2.000 4.810 1.00 0.00 N ATOM 315 CA LEU A 26 -12.666 2.760 4.053 1.00 0.00 C ATOM 316 C LEU A 26 -13.391 3.738 3.127 1.00 0.00 C ATOM 317 O LEU A 26 -14.408 4.320 3.506 1.00 0.00 O ATOM 318 CB LEU A 26 -11.707 1.820 3.322 1.00 0.00 C ATOM 319 CG LEU A 26 -10.273 2.325 3.150 1.00 0.00 C ATOM 320 CD1 LEU A 26 -9.631 2.628 4.505 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.440 1.342 2.326 1.00 0.00 C ATOM 0 H LEU A 26 -13.804 1.051 4.472 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.045 3.354 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.675 0.874 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.118 1.610 2.335 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.306 3.262 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.612 2.985 4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.211 3.394 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.611 1.721 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.425 1.725 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.412 0.376 2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.889 1.223 1.340 1.00 0.00 H new ATOM 333 N GLN A 27 -12.842 3.889 1.931 1.00 0.00 N ATOM 334 CA GLN A 27 -13.423 4.788 0.947 1.00 0.00 C ATOM 335 C GLN A 27 -14.930 4.542 0.831 1.00 0.00 C ATOM 336 O GLN A 27 -15.368 3.724 0.022 1.00 0.00 O ATOM 337 CB GLN A 27 -12.737 4.634 -0.410 1.00 0.00 C ATOM 338 CG GLN A 27 -11.418 5.409 -0.449 1.00 0.00 C ATOM 339 CD GLN A 27 -10.654 5.257 0.868 1.00 0.00 C ATOM 340 OE1 GLN A 27 -11.057 5.746 1.911 1.00 0.00 O ATOM 341 NE2 GLN A 27 -9.531 4.550 0.762 1.00 0.00 N ATOM 0 H GLN A 27 -12.000 3.404 1.620 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.265 5.813 1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.549 3.579 -0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.398 4.994 -1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.804 5.047 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.617 6.464 -0.638 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.252 4.169 -0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.950 4.390 1.585 1.00 0.00 H new ATOM 350 N ALA A 28 -15.682 5.265 1.649 1.00 0.00 N ATOM 351 CA ALA A 28 -17.126 5.135 1.648 1.00 0.00 C ATOM 352 C ALA A 28 -17.665 5.477 0.257 1.00 0.00 C ATOM 353 O ALA A 28 -18.078 6.609 0.007 1.00 0.00 O ATOM 354 CB ALA A 28 -17.722 6.030 2.739 1.00 0.00 C ATOM 0 H ALA A 28 -15.316 5.943 2.317 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.417 4.109 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.808 5.932 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.332 5.728 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.451 7.068 2.546 1.00 0.00 H new ATOM 360 N GLY A 29 -17.642 4.479 -0.614 1.00 0.00 N ATOM 361 CA GLY A 29 -18.120 4.661 -1.973 1.00 0.00 C ATOM 362 C GLY A 29 -17.173 5.555 -2.774 1.00 0.00 C ATOM 363 O GLY A 29 -17.560 6.116 -3.798 1.00 0.00 O ATOM 0 H GLY A 29 -17.300 3.541 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.211 3.691 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.116 5.104 -1.955 1.00 0.00 H new ATOM 367 N THR A 30 -15.950 5.665 -2.276 1.00 0.00 N ATOM 368 CA THR A 30 -14.945 6.482 -2.932 1.00 0.00 C ATOM 369 C THR A 30 -14.129 5.640 -3.915 1.00 0.00 C ATOM 370 O THR A 30 -14.389 4.451 -4.082 1.00 0.00 O ATOM 371 CB THR A 30 -14.094 7.144 -1.847 1.00 0.00 C ATOM 372 OG1 THR A 30 -14.721 6.754 -0.627 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.215 8.671 -1.857 1.00 0.00 C ATOM 0 H THR A 30 -15.633 5.201 -1.425 1.00 0.00 H new ATOM 0 HA THR A 30 -15.404 7.268 -3.531 1.00 0.00 H new ATOM 0 HB THR A 30 -13.050 6.862 -1.983 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.453 7.367 0.089 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.591 9.091 -1.068 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.886 9.056 -2.822 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.254 8.955 -1.688 1.00 0.00 H new ATOM 381 N ALA A 31 -13.156 6.291 -4.537 1.00 0.00 N ATOM 382 CA ALA A 31 -12.302 5.616 -5.499 1.00 0.00 C ATOM 383 C ALA A 31 -10.891 6.201 -5.416 1.00 0.00 C ATOM 384 O ALA A 31 -10.625 7.271 -5.962 1.00 0.00 O ATOM 385 CB ALA A 31 -12.905 5.745 -6.899 1.00 0.00 C ATOM 0 H ALA A 31 -12.941 7.278 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.234 4.552 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.263 5.238 -7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.895 5.290 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.987 6.799 -7.164 1.00 0.00 H new ATOM 391 N TYR A 32 -10.022 5.473 -4.731 1.00 0.00 N ATOM 392 CA TYR A 32 -8.645 5.907 -4.570 1.00 0.00 C ATOM 393 C TYR A 32 -7.679 4.924 -5.238 1.00 0.00 C ATOM 394 O TYR A 32 -8.086 3.849 -5.672 1.00 0.00 O ATOM 395 CB TYR A 32 -8.378 5.918 -3.063 1.00 0.00 C ATOM 396 CG TYR A 32 -9.159 6.990 -2.301 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.873 7.948 -2.994 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.150 7.001 -0.921 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.608 8.956 -2.277 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.887 8.010 -0.205 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.579 8.938 -0.918 1.00 0.00 C ATOM 402 OH TYR A 32 -11.274 9.892 -0.240 1.00 0.00 O ATOM 0 H TYR A 32 -10.245 4.585 -4.281 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.496 6.885 -5.028 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.629 4.940 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.312 6.071 -2.894 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.880 7.940 -4.074 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.591 6.253 -0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.170 9.710 -2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.890 8.029 0.875 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.163 9.755 0.724 1.00 0.00 H new ATOM 412 N ASP A 33 -6.420 5.331 -5.299 1.00 0.00 N ATOM 413 CA ASP A 33 -5.393 4.501 -5.909 1.00 0.00 C ATOM 414 C ASP A 33 -4.765 3.608 -4.836 1.00 0.00 C ATOM 415 O ASP A 33 -4.196 4.103 -3.867 1.00 0.00 O ATOM 416 CB ASP A 33 -4.283 5.358 -6.519 1.00 0.00 C ATOM 417 CG ASP A 33 -4.312 5.460 -8.046 1.00 0.00 C ATOM 418 OD1 ASP A 33 -5.399 5.786 -8.572 1.00 0.00 O ATOM 419 OD2 ASP A 33 -3.247 5.212 -8.651 1.00 0.00 O ATOM 0 H ASP A 33 -6.087 6.224 -4.936 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.860 3.906 -6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.349 6.363 -6.101 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.320 4.949 -6.215 1.00 0.00 H new ATOM 425 N VAL A 34 -4.892 2.305 -5.049 1.00 0.00 N ATOM 426 CA VAL A 34 -4.344 1.338 -4.115 1.00 0.00 C ATOM 427 C VAL A 34 -2.845 1.178 -4.375 1.00 0.00 C ATOM 428 O VAL A 34 -2.400 1.221 -5.520 1.00 0.00 O ATOM 429 CB VAL A 34 -5.112 0.018 -4.216 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.240 -1.078 -4.831 1.00 0.00 C ATOM 431 CG2 VAL A 34 -5.649 -0.410 -2.848 1.00 0.00 C ATOM 0 H VAL A 34 -5.367 1.898 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.461 1.689 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.965 0.176 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.810 -2.005 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.929 -0.777 -5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.359 -1.234 -4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.191 -1.351 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.817 -0.542 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.322 0.357 -2.465 1.00 0.00 H new ATOM 441 N GLY A 35 -2.104 0.997 -3.289 1.00 0.00 N ATOM 442 CA GLY A 35 -0.665 0.829 -3.385 1.00 0.00 C ATOM 443 C GLY A 35 -0.015 0.877 -2.000 1.00 0.00 C ATOM 444 O GLY A 35 -0.584 1.432 -1.062 1.00 0.00 O ATOM 0 H GLY A 35 -2.475 0.963 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.437 -0.123 -3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.245 1.613 -4.016 1.00 0.00 H new ATOM 448 N GLN A 36 1.170 0.288 -1.918 1.00 0.00 N ATOM 449 CA GLN A 36 1.905 0.256 -0.665 1.00 0.00 C ATOM 450 C GLN A 36 2.875 1.436 -0.589 1.00 0.00 C ATOM 451 O GLN A 36 4.017 1.334 -1.035 1.00 0.00 O ATOM 452 CB GLN A 36 2.641 -1.074 -0.495 1.00 0.00 C ATOM 453 CG GLN A 36 1.962 -2.185 -1.297 1.00 0.00 C ATOM 454 CD GLN A 36 2.918 -2.772 -2.338 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.495 -1.865 -3.119 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 3.119 -3.973 -2.423 1.00 0.00 N flip ATOM 0 H GLN A 36 1.639 -0.171 -2.699 1.00 0.00 H new ATOM 0 HA GLN A 36 1.192 0.345 0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.675 -0.965 -0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.667 -1.347 0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.626 -2.972 -0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.076 -1.790 -1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.642 -4.616 -1.791 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.764 -4.334 -3.126 1.00 0.00 H new ATOM 465 N CYS A 37 2.386 2.528 -0.019 1.00 0.00 N ATOM 466 CA CYS A 37 3.198 3.725 0.120 1.00 0.00 C ATOM 467 C CYS A 37 3.604 3.861 1.589 1.00 0.00 C ATOM 468 O CYS A 37 2.983 3.261 2.466 1.00 0.00 O ATOM 469 CB CYS A 37 2.463 4.969 -0.384 1.00 0.00 C ATOM 470 SG CYS A 37 3.548 6.374 -0.828 1.00 0.00 S ATOM 0 H CYS A 37 1.439 2.609 0.351 1.00 0.00 H new ATOM 0 HA CYS A 37 4.091 3.635 -0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.871 4.695 -1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.764 5.297 0.385 1.00 0.00 H new ATOM 475 N ALA A 38 4.642 4.654 1.812 1.00 0.00 N ATOM 476 CA ALA A 38 5.137 4.876 3.160 1.00 0.00 C ATOM 477 C ALA A 38 6.536 5.493 3.088 1.00 0.00 C ATOM 478 O ALA A 38 7.129 5.574 2.015 1.00 0.00 O ATOM 479 CB ALA A 38 5.121 3.557 3.934 1.00 0.00 C ATOM 0 H ALA A 38 5.153 5.150 1.082 1.00 0.00 H new ATOM 0 HA ALA A 38 4.494 5.575 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.492 3.724 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.101 3.175 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.758 2.831 3.429 1.00 0.00 H new ATOM 485 N TRP A 39 7.024 5.910 4.248 1.00 0.00 N ATOM 486 CA TRP A 39 8.341 6.517 4.332 1.00 0.00 C ATOM 487 C TRP A 39 9.376 5.446 3.989 1.00 0.00 C ATOM 488 O TRP A 39 9.686 4.590 4.817 1.00 0.00 O ATOM 489 CB TRP A 39 8.567 7.152 5.705 1.00 0.00 C ATOM 490 CG TRP A 39 7.703 8.386 5.972 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.617 9.507 5.242 1.00 0.00 C ATOM 492 CD2 TRP A 39 6.797 8.580 7.078 1.00 0.00 C ATOM 493 NE1 TRP A 39 6.729 10.405 5.794 1.00 0.00 N ATOM 494 CE2 TRP A 39 6.213 9.823 6.947 1.00 0.00 C ATOM 495 CE3 TRP A 39 6.482 7.730 8.155 1.00 0.00 C ATOM 496 CZ2 TRP A 39 5.280 10.331 7.858 1.00 0.00 C ATOM 497 CZ3 TRP A 39 5.546 8.254 9.056 1.00 0.00 C ATOM 498 CH2 TRP A 39 4.951 9.503 8.939 1.00 0.00 C ATOM 0 H TRP A 39 6.530 5.839 5.138 1.00 0.00 H new ATOM 0 HA TRP A 39 8.436 7.334 3.617 1.00 0.00 H new ATOM 0 HB2 TRP A 39 8.366 6.407 6.475 1.00 0.00 H new ATOM 0 HB3 TRP A 39 9.617 7.430 5.796 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.174 9.684 4.334 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.494 11.326 5.425 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.926 6.753 8.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.838 11.308 7.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 5.267 7.643 9.902 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.237 9.835 9.679 1.00 0.00 H new ATOM 509 N VAL A 40 9.887 5.526 2.770 1.00 0.00 N ATOM 510 CA VAL A 40 10.881 4.574 2.309 1.00 0.00 C ATOM 511 C VAL A 40 12.278 5.085 2.671 1.00 0.00 C ATOM 512 O VAL A 40 13.059 4.374 3.301 1.00 0.00 O ATOM 513 CB VAL A 40 10.708 4.321 0.808 1.00 0.00 C ATOM 514 CG1 VAL A 40 9.229 4.211 0.441 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.401 5.409 -0.014 1.00 0.00 C ATOM 0 H VAL A 40 9.630 6.238 2.086 1.00 0.00 H new ATOM 0 HA VAL A 40 10.747 3.613 2.805 1.00 0.00 H new ATOM 0 HB VAL A 40 11.183 3.370 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.132 4.031 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.778 3.384 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.720 5.139 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.263 5.206 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.969 6.380 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.466 5.418 0.218 1.00 0.00 H new ATOM 525 N ASP A 41 12.548 6.315 2.257 1.00 0.00 N ATOM 526 CA ASP A 41 13.837 6.930 2.531 1.00 0.00 C ATOM 527 C ASP A 41 13.778 7.645 3.882 1.00 0.00 C ATOM 528 O ASP A 41 12.855 7.426 4.666 1.00 0.00 O ATOM 529 CB ASP A 41 14.190 7.965 1.462 1.00 0.00 C ATOM 530 CG ASP A 41 15.575 7.801 0.836 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.820 8.479 -0.185 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.357 7.001 1.391 1.00 0.00 O ATOM 0 H ASP A 41 11.897 6.902 1.735 1.00 0.00 H new ATOM 0 HA ASP A 41 14.593 6.145 2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.442 7.917 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.123 8.959 1.904 1.00 0.00 H new ATOM 538 N THR A 42 14.776 8.487 4.114 1.00 0.00 N ATOM 539 CA THR A 42 14.849 9.237 5.355 1.00 0.00 C ATOM 540 C THR A 42 13.722 10.268 5.425 1.00 0.00 C ATOM 541 O THR A 42 13.878 11.395 4.958 1.00 0.00 O ATOM 542 CB THR A 42 16.245 9.854 5.453 1.00 0.00 C ATOM 543 OG1 THR A 42 17.120 8.730 5.492 1.00 0.00 O ATOM 544 CG2 THR A 42 16.483 10.558 6.790 1.00 0.00 C ATOM 0 H THR A 42 15.540 8.665 3.462 1.00 0.00 H new ATOM 0 HA THR A 42 14.704 8.587 6.218 1.00 0.00 H new ATOM 0 HB THR A 42 16.384 10.566 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.048 9.040 5.554 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.489 10.978 6.806 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.754 11.358 6.915 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.376 9.840 7.603 1.00 0.00 H new ATOM 552 N GLY A 43 12.612 9.845 6.010 1.00 0.00 N ATOM 553 CA GLY A 43 11.458 10.719 6.146 1.00 0.00 C ATOM 554 C GLY A 43 10.876 11.077 4.777 1.00 0.00 C ATOM 555 O GLY A 43 10.095 12.019 4.657 1.00 0.00 O ATOM 0 H GLY A 43 12.486 8.909 6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.696 10.229 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.747 11.629 6.672 1.00 0.00 H new ATOM 559 N VAL A 44 11.282 10.305 3.778 1.00 0.00 N ATOM 560 CA VAL A 44 10.810 10.529 2.422 1.00 0.00 C ATOM 561 C VAL A 44 9.648 9.577 2.127 1.00 0.00 C ATOM 562 O VAL A 44 9.852 8.375 1.968 1.00 0.00 O ATOM 563 CB VAL A 44 11.968 10.380 1.435 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.555 10.828 0.033 1.00 0.00 C ATOM 565 CG2 VAL A 44 13.200 11.150 1.915 1.00 0.00 C ATOM 0 H VAL A 44 11.931 9.525 3.881 1.00 0.00 H new ATOM 0 HA VAL A 44 10.434 11.546 2.312 1.00 0.00 H new ATOM 0 HB VAL A 44 12.231 9.323 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.397 10.712 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.721 10.218 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.252 11.875 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.009 11.027 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.954 12.208 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.515 10.764 2.884 1.00 0.00 H new ATOM 575 N LEU A 45 8.456 10.152 2.065 1.00 0.00 N ATOM 576 CA LEU A 45 7.262 9.372 1.793 1.00 0.00 C ATOM 577 C LEU A 45 7.231 8.993 0.311 1.00 0.00 C ATOM 578 O LEU A 45 6.886 9.816 -0.535 1.00 0.00 O ATOM 579 CB LEU A 45 6.013 10.120 2.262 1.00 0.00 C ATOM 580 CG LEU A 45 5.107 9.367 3.238 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.162 10.326 3.965 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.346 8.245 2.526 1.00 0.00 C ATOM 0 H LEU A 45 8.292 11.150 2.199 1.00 0.00 H new ATOM 0 HA LEU A 45 7.279 8.441 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.327 11.051 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.424 10.389 1.385 1.00 0.00 H new ATOM 0 HG LEU A 45 5.737 8.901 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.530 9.763 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.745 11.057 4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.536 10.842 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.709 7.726 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.729 8.669 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.057 7.540 2.095 1.00 0.00 H new ATOM 594 N ALA A 46 7.597 7.748 0.042 1.00 0.00 N ATOM 595 CA ALA A 46 7.618 7.252 -1.323 1.00 0.00 C ATOM 596 C ALA A 46 6.649 6.074 -1.447 1.00 0.00 C ATOM 597 O ALA A 46 6.179 5.544 -0.441 1.00 0.00 O ATOM 598 CB ALA A 46 9.048 6.871 -1.708 1.00 0.00 C ATOM 0 H ALA A 46 7.881 7.068 0.747 1.00 0.00 H new ATOM 0 HA ALA A 46 7.289 8.026 -2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.062 6.499 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.691 7.748 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.411 6.094 -1.035 1.00 0.00 H new ATOM 604 N CYS A 47 6.376 5.701 -2.689 1.00 0.00 N ATOM 605 CA CYS A 47 5.472 4.596 -2.956 1.00 0.00 C ATOM 606 C CYS A 47 6.148 3.652 -3.952 1.00 0.00 C ATOM 607 O CYS A 47 6.873 4.095 -4.842 1.00 0.00 O ATOM 608 CB CYS A 47 4.116 5.086 -3.468 1.00 0.00 C ATOM 609 SG CYS A 47 3.627 6.748 -2.876 1.00 0.00 S ATOM 0 H CYS A 47 6.765 6.145 -3.521 1.00 0.00 H new ATOM 0 HA CYS A 47 5.266 4.060 -2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.137 5.095 -4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.350 4.370 -3.170 1.00 0.00 H new ATOM 614 N ASN A 48 5.890 2.365 -3.765 1.00 0.00 N ATOM 615 CA ASN A 48 6.467 1.354 -4.636 1.00 0.00 C ATOM 616 C ASN A 48 5.890 1.511 -6.044 1.00 0.00 C ATOM 617 O ASN A 48 4.938 2.259 -6.250 1.00 0.00 O ATOM 618 CB ASN A 48 6.130 -0.055 -4.142 1.00 0.00 C ATOM 619 CG ASN A 48 6.154 -0.121 -2.613 1.00 0.00 C ATOM 620 OD1 ASN A 48 5.446 -0.893 -1.989 1.00 0.00 O ATOM 621 ND2 ASN A 48 7.006 0.731 -2.050 1.00 0.00 N ATOM 0 H ASN A 48 5.291 2.000 -3.025 1.00 0.00 H new ATOM 0 HA ASN A 48 7.549 1.487 -4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.145 -0.346 -4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.845 -0.768 -4.552 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.097 0.766 -1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.569 1.350 -2.634 1.00 0.00 H new ATOM 628 N PRO A 49 6.509 0.771 -7.005 1.00 0.00 N ATOM 629 CA PRO A 49 6.068 0.821 -8.388 1.00 0.00 C ATOM 630 C PRO A 49 4.766 0.040 -8.577 1.00 0.00 C ATOM 631 O PRO A 49 4.122 0.141 -9.620 1.00 0.00 O ATOM 632 CB PRO A 49 7.225 0.249 -9.189 1.00 0.00 C ATOM 633 CG PRO A 49 8.078 -0.525 -8.200 1.00 0.00 C ATOM 634 CD PRO A 49 7.640 -0.129 -6.799 1.00 0.00 C ATOM 0 HA PRO A 49 5.833 1.833 -8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.864 -0.402 -9.985 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.801 1.043 -9.663 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.957 -1.598 -8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.134 -0.300 -8.348 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.350 -1.001 -6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.446 0.366 -6.257 1.00 0.00 H new ATOM 642 N ALA A 50 4.415 -0.720 -7.551 1.00 0.00 N ATOM 643 CA ALA A 50 3.201 -1.519 -7.590 1.00 0.00 C ATOM 644 C ALA A 50 2.146 -0.878 -6.685 1.00 0.00 C ATOM 645 O ALA A 50 1.161 -1.521 -6.326 1.00 0.00 O ATOM 646 CB ALA A 50 3.521 -2.958 -7.184 1.00 0.00 C ATOM 0 H ALA A 50 4.950 -0.800 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 50 2.795 -1.550 -8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.610 -3.556 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.252 -3.377 -7.875 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.929 -2.969 -6.173 1.00 0.00 H new ATOM 652 N ASP A 51 2.390 0.378 -6.344 1.00 0.00 N ATOM 653 CA ASP A 51 1.472 1.112 -5.486 1.00 0.00 C ATOM 654 C ASP A 51 0.418 1.803 -6.350 1.00 0.00 C ATOM 655 O ASP A 51 -0.371 2.604 -5.852 1.00 0.00 O ATOM 656 CB ASP A 51 2.209 2.187 -4.685 1.00 0.00 C ATOM 657 CG ASP A 51 1.373 3.420 -4.338 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.725 3.385 -3.268 1.00 0.00 O ATOM 659 OD2 ASP A 51 1.398 4.369 -5.149 1.00 0.00 O ATOM 0 H ASP A 51 3.209 0.907 -6.645 1.00 0.00 H new ATOM 0 HA ASP A 51 1.011 0.403 -4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.575 1.742 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.083 2.507 -5.253 1.00 0.00 H new ATOM 665 N PHE A 52 0.439 1.471 -7.633 1.00 0.00 N ATOM 666 CA PHE A 52 -0.506 2.051 -8.573 1.00 0.00 C ATOM 667 C PHE A 52 -1.539 1.016 -9.022 1.00 0.00 C ATOM 668 O PHE A 52 -1.325 0.309 -10.007 1.00 0.00 O ATOM 669 CB PHE A 52 0.297 2.515 -9.788 1.00 0.00 C ATOM 670 CG PHE A 52 1.740 2.910 -9.466 1.00 0.00 C ATOM 671 CD1 PHE A 52 2.010 3.667 -8.368 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.755 2.506 -10.277 1.00 0.00 C ATOM 673 CE1 PHE A 52 3.348 4.034 -8.069 1.00 0.00 C ATOM 674 CE2 PHE A 52 4.093 2.873 -9.978 1.00 0.00 C ATOM 675 CZ PHE A 52 4.362 3.630 -8.881 1.00 0.00 C ATOM 0 H PHE A 52 1.096 0.807 -8.044 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.040 2.876 -8.101 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.307 1.717 -10.531 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.210 3.367 -10.242 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.205 3.989 -7.723 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.542 1.905 -11.149 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.561 4.634 -7.197 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.898 2.551 -10.622 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.380 3.910 -8.654 1.00 0.00 H new ATOM 685 N SER A 53 -2.636 0.959 -8.282 1.00 0.00 N ATOM 686 CA SER A 53 -3.701 0.021 -8.592 1.00 0.00 C ATOM 687 C SER A 53 -5.047 0.586 -8.131 1.00 0.00 C ATOM 688 O SER A 53 -5.504 0.282 -7.031 1.00 0.00 O ATOM 689 CB SER A 53 -3.445 -1.340 -7.941 1.00 0.00 C ATOM 690 OG SER A 53 -4.637 -1.907 -7.402 1.00 0.00 O ATOM 0 H SER A 53 -2.810 1.548 -7.468 1.00 0.00 H new ATOM 0 HA SER A 53 -3.725 -0.123 -9.672 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.021 -2.021 -8.679 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.705 -1.229 -7.148 1.00 0.00 H new ATOM 0 HG SER A 53 -4.992 -2.575 -8.025 1.00 0.00 H new ATOM 696 N SER A 54 -5.639 1.396 -8.996 1.00 0.00 N ATOM 697 CA SER A 54 -6.921 2.006 -8.691 1.00 0.00 C ATOM 698 C SER A 54 -7.823 0.999 -7.972 1.00 0.00 C ATOM 699 O SER A 54 -7.683 -0.209 -8.161 1.00 0.00 O ATOM 700 CB SER A 54 -7.606 2.517 -9.962 1.00 0.00 C ATOM 701 OG SER A 54 -8.570 3.524 -9.677 1.00 0.00 O ATOM 0 H SER A 54 -5.254 1.644 -9.908 1.00 0.00 H new ATOM 0 HA SER A 54 -6.745 2.860 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.855 2.916 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.090 1.685 -10.473 1.00 0.00 H new ATOM 0 HG SER A 54 -8.984 3.826 -10.512 1.00 0.00 H new ATOM 707 N VAL A 55 -8.726 1.532 -7.165 1.00 0.00 N ATOM 708 CA VAL A 55 -9.649 0.694 -6.416 1.00 0.00 C ATOM 709 C VAL A 55 -10.743 1.571 -5.803 1.00 0.00 C ATOM 710 O VAL A 55 -10.488 2.714 -5.427 1.00 0.00 O ATOM 711 CB VAL A 55 -8.885 -0.126 -5.375 1.00 0.00 C ATOM 712 CG1 VAL A 55 -8.566 0.716 -4.140 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.664 -1.386 -4.992 1.00 0.00 C ATOM 0 H VAL A 55 -8.840 2.534 -7.012 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.138 -0.022 -7.077 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.940 -0.437 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.023 0.109 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.953 1.570 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.494 1.071 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.099 -1.952 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.630 -1.103 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.818 -2.002 -5.878 1.00 0.00 H new ATOM 723 N THR A 56 -11.936 1.001 -5.719 1.00 0.00 N ATOM 724 CA THR A 56 -13.068 1.715 -5.155 1.00 0.00 C ATOM 725 C THR A 56 -13.775 0.857 -4.106 1.00 0.00 C ATOM 726 O THR A 56 -13.763 -0.371 -4.192 1.00 0.00 O ATOM 727 CB THR A 56 -13.982 2.139 -6.311 1.00 0.00 C ATOM 728 OG1 THR A 56 -13.958 3.561 -6.268 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.448 1.782 -6.056 1.00 0.00 C ATOM 0 H THR A 56 -12.143 0.053 -6.032 1.00 0.00 H new ATOM 0 HA THR A 56 -12.745 2.613 -4.628 1.00 0.00 H new ATOM 0 HB THR A 56 -13.647 1.664 -7.233 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.439 3.872 -5.473 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.053 2.103 -6.904 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.543 0.704 -5.930 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.793 2.285 -5.153 1.00 0.00 H new ATOM 737 N ALA A 57 -14.373 1.533 -3.138 1.00 0.00 N ATOM 738 CA ALA A 57 -15.082 0.847 -2.072 1.00 0.00 C ATOM 739 C ALA A 57 -16.588 1.057 -2.249 1.00 0.00 C ATOM 740 O ALA A 57 -17.012 2.035 -2.863 1.00 0.00 O ATOM 741 CB ALA A 57 -14.578 1.347 -0.717 1.00 0.00 C ATOM 0 H ALA A 57 -14.381 2.551 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.892 -0.225 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.111 0.832 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.510 1.146 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.753 2.420 -0.637 1.00 0.00 H new ATOM 747 N ASP A 58 -17.352 0.125 -1.699 1.00 0.00 N ATOM 748 CA ASP A 58 -18.801 0.197 -1.787 1.00 0.00 C ATOM 749 C ASP A 58 -19.318 1.227 -0.780 1.00 0.00 C ATOM 750 O ASP A 58 -18.651 1.521 0.209 1.00 0.00 O ATOM 751 CB ASP A 58 -19.439 -1.153 -1.454 1.00 0.00 C ATOM 752 CG ASP A 58 -18.549 -2.372 -1.708 1.00 0.00 C ATOM 753 OD1 ASP A 58 -18.906 -3.452 -1.193 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.533 -2.192 -2.413 1.00 0.00 O ATOM 0 H ASP A 58 -16.995 -0.684 -1.191 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.065 0.479 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.733 -1.149 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.352 -1.260 -2.040 1.00 0.00 H new ATOM 760 N ALA A 59 -20.504 1.744 -1.069 1.00 0.00 N ATOM 761 CA ALA A 59 -21.120 2.733 -0.201 1.00 0.00 C ATOM 762 C ALA A 59 -20.934 2.312 1.258 1.00 0.00 C ATOM 763 O ALA A 59 -20.914 3.153 2.154 1.00 0.00 O ATOM 764 CB ALA A 59 -22.593 2.897 -0.578 1.00 0.00 C ATOM 0 H ALA A 59 -21.054 1.496 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.642 3.704 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.055 3.639 0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.669 3.226 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.107 1.943 -0.462 1.00 0.00 H new ATOM 770 N ASN A 60 -20.808 1.007 1.451 1.00 0.00 N ATOM 771 CA ASN A 60 -20.626 0.463 2.787 1.00 0.00 C ATOM 772 C ASN A 60 -19.135 0.455 3.131 1.00 0.00 C ATOM 773 O ASN A 60 -18.661 -0.438 3.835 1.00 0.00 O ATOM 774 CB ASN A 60 -21.138 -0.975 2.871 1.00 0.00 C ATOM 775 CG ASN A 60 -21.430 -1.371 4.320 1.00 0.00 C ATOM 776 OD1 ASN A 60 -20.949 -0.766 5.264 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.239 -2.419 4.441 1.00 0.00 N ATOM 0 H ASN A 60 -20.828 0.311 0.706 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.187 1.086 3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.044 -1.078 2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.398 -1.653 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.493 -2.763 5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.606 -2.879 3.608 1.00 0.00 H new ATOM 784 N GLY A 61 -18.435 1.456 2.619 1.00 0.00 N ATOM 785 CA GLY A 61 -17.009 1.577 2.862 1.00 0.00 C ATOM 786 C GLY A 61 -16.311 0.224 2.702 1.00 0.00 C ATOM 787 O GLY A 61 -15.364 -0.079 3.426 1.00 0.00 O ATOM 0 H GLY A 61 -18.831 2.193 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.578 2.298 2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.839 1.962 3.867 1.00 0.00 H new ATOM 791 N SER A 62 -16.807 -0.553 1.750 1.00 0.00 N ATOM 792 CA SER A 62 -16.242 -1.865 1.486 1.00 0.00 C ATOM 793 C SER A 62 -15.130 -1.757 0.441 1.00 0.00 C ATOM 794 O SER A 62 -15.397 -1.774 -0.760 1.00 0.00 O ATOM 795 CB SER A 62 -17.319 -2.844 1.015 1.00 0.00 C ATOM 796 OG SER A 62 -18.624 -2.278 1.094 1.00 0.00 O ATOM 0 H SER A 62 -17.594 -0.299 1.152 1.00 0.00 H new ATOM 0 HA SER A 62 -15.821 -2.248 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.114 -3.141 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.278 -3.748 1.622 1.00 0.00 H new ATOM 0 HG SER A 62 -19.241 -2.799 0.538 1.00 0.00 H new ATOM 802 N ALA A 63 -13.905 -1.645 0.935 1.00 0.00 N ATOM 803 CA ALA A 63 -12.752 -1.533 0.058 1.00 0.00 C ATOM 804 C ALA A 63 -12.109 -2.912 -0.112 1.00 0.00 C ATOM 805 O ALA A 63 -11.374 -3.370 0.761 1.00 0.00 O ATOM 806 CB ALA A 63 -11.776 -0.503 0.627 1.00 0.00 C ATOM 0 H ALA A 63 -13.686 -1.629 1.931 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.055 -1.186 -0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.911 -0.419 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.271 0.465 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.449 -0.820 1.617 1.00 0.00 H new ATOM 812 N SER A 64 -12.413 -3.534 -1.242 1.00 0.00 N ATOM 813 CA SER A 64 -11.875 -4.851 -1.536 1.00 0.00 C ATOM 814 C SER A 64 -10.815 -4.749 -2.635 1.00 0.00 C ATOM 815 O SER A 64 -11.100 -5.007 -3.803 1.00 0.00 O ATOM 816 CB SER A 64 -12.984 -5.818 -1.957 1.00 0.00 C ATOM 817 OG SER A 64 -13.695 -5.350 -3.100 1.00 0.00 O ATOM 0 H SER A 64 -13.024 -3.151 -1.963 1.00 0.00 H new ATOM 0 HA SER A 64 -11.414 -5.242 -0.629 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.551 -6.794 -2.174 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.679 -5.955 -1.129 1.00 0.00 H new ATOM 0 HG SER A 64 -13.058 -5.080 -3.794 1.00 0.00 H new ATOM 823 N THR A 65 -9.615 -4.372 -2.221 1.00 0.00 N ATOM 824 CA THR A 65 -8.510 -4.232 -3.156 1.00 0.00 C ATOM 825 C THR A 65 -7.541 -5.408 -3.016 1.00 0.00 C ATOM 826 O THR A 65 -6.956 -5.613 -1.953 1.00 0.00 O ATOM 827 CB THR A 65 -7.855 -2.873 -2.912 1.00 0.00 C ATOM 828 OG1 THR A 65 -6.802 -2.817 -3.872 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.133 -2.802 -1.564 1.00 0.00 C ATOM 0 H THR A 65 -9.383 -4.159 -1.251 1.00 0.00 H new ATOM 0 HA THR A 65 -8.859 -4.260 -4.188 1.00 0.00 H new ATOM 0 HB THR A 65 -8.614 -2.092 -2.958 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.988 -3.204 -3.488 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.686 -1.815 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.847 -2.979 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.352 -3.561 -1.529 1.00 0.00 H new ATOM 837 N SER A 66 -7.401 -6.150 -4.104 1.00 0.00 N ATOM 838 CA SER A 66 -6.514 -7.300 -4.117 1.00 0.00 C ATOM 839 C SER A 66 -5.304 -7.018 -5.010 1.00 0.00 C ATOM 840 O SER A 66 -5.437 -6.397 -6.064 1.00 0.00 O ATOM 841 CB SER A 66 -7.246 -8.556 -4.595 1.00 0.00 C ATOM 842 OG SER A 66 -6.858 -8.929 -5.916 1.00 0.00 O ATOM 0 H SER A 66 -7.887 -5.977 -4.984 1.00 0.00 H new ATOM 0 HA SER A 66 -6.171 -7.479 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.040 -9.379 -3.910 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.322 -8.381 -4.569 1.00 0.00 H new ATOM 0 HG SER A 66 -7.346 -9.736 -6.185 1.00 0.00 H new ATOM 848 N LEU A 67 -4.151 -7.486 -4.555 1.00 0.00 N ATOM 849 CA LEU A 67 -2.918 -7.292 -5.299 1.00 0.00 C ATOM 850 C LEU A 67 -1.816 -8.160 -4.688 1.00 0.00 C ATOM 851 O LEU A 67 -2.072 -8.939 -3.772 1.00 0.00 O ATOM 852 CB LEU A 67 -2.564 -5.806 -5.369 1.00 0.00 C ATOM 853 CG LEU A 67 -2.129 -5.282 -6.739 1.00 0.00 C ATOM 854 CD1 LEU A 67 -3.337 -5.061 -7.651 1.00 0.00 C ATOM 855 CD2 LEU A 67 -1.277 -4.019 -6.601 1.00 0.00 C ATOM 0 H LEU A 67 -4.045 -7.999 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.041 -7.616 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.430 -5.231 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.763 -5.610 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.504 -6.041 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.999 -4.688 -8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.865 -6.004 -7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.008 -4.333 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.982 -3.669 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.855 -3.243 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.386 -4.244 -6.015 1.00 0.00 H new ATOM 867 N THR A 68 -0.615 -7.995 -5.221 1.00 0.00 N ATOM 868 CA THR A 68 0.527 -8.754 -4.740 1.00 0.00 C ATOM 869 C THR A 68 1.469 -7.851 -3.939 1.00 0.00 C ATOM 870 O THR A 68 1.751 -6.724 -4.348 1.00 0.00 O ATOM 871 CB THR A 68 1.198 -9.413 -5.946 1.00 0.00 C ATOM 872 OG1 THR A 68 2.121 -10.334 -5.370 1.00 0.00 O ATOM 873 CG2 THR A 68 2.084 -8.441 -6.730 1.00 0.00 C ATOM 0 H THR A 68 -0.407 -7.347 -5.981 1.00 0.00 H new ATOM 0 HA THR A 68 0.218 -9.540 -4.052 1.00 0.00 H new ATOM 0 HB THR A 68 0.433 -9.821 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.599 -10.807 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.535 -8.961 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.479 -7.611 -7.096 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.869 -8.058 -6.078 1.00 0.00 H new ATOM 881 N VAL A 69 1.928 -8.381 -2.816 1.00 0.00 N ATOM 882 CA VAL A 69 2.831 -7.635 -1.953 1.00 0.00 C ATOM 883 C VAL A 69 4.275 -7.906 -2.379 1.00 0.00 C ATOM 884 O VAL A 69 4.873 -8.899 -1.963 1.00 0.00 O ATOM 885 CB VAL A 69 2.564 -7.986 -0.488 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.210 -9.322 -0.118 1.00 0.00 C ATOM 887 CG2 VAL A 69 3.046 -6.868 0.441 1.00 0.00 C ATOM 0 H VAL A 69 1.693 -9.316 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 69 2.658 -6.564 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 69 1.486 -8.088 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.005 -9.548 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.799 -10.112 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.287 -9.260 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.844 -7.143 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.118 -6.720 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.520 -5.944 0.202 1.00 0.00 H new ATOM 897 N ARG A 70 4.794 -7.010 -3.204 1.00 0.00 N ATOM 898 CA ARG A 70 6.157 -7.139 -3.690 1.00 0.00 C ATOM 899 C ARG A 70 7.111 -6.316 -2.826 1.00 0.00 C ATOM 900 O ARG A 70 7.683 -5.330 -3.288 1.00 0.00 O ATOM 901 CB ARG A 70 6.267 -6.674 -5.144 1.00 0.00 C ATOM 902 CG ARG A 70 5.668 -7.708 -6.099 1.00 0.00 C ATOM 903 CD ARG A 70 5.447 -7.108 -7.490 1.00 0.00 C ATOM 904 NE ARG A 70 6.164 -7.911 -8.505 1.00 0.00 N ATOM 905 CZ ARG A 70 7.480 -7.826 -8.738 1.00 0.00 C ATOM 906 NH1 ARG A 70 8.233 -6.975 -8.029 1.00 0.00 N ATOM 907 NH2 ARG A 70 8.045 -8.594 -9.680 1.00 0.00 N ATOM 0 H ARG A 70 4.295 -6.190 -3.549 1.00 0.00 H new ATOM 0 HA ARG A 70 6.431 -8.193 -3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.751 -5.721 -5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.314 -6.504 -5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.333 -8.569 -6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.720 -8.070 -5.701 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.382 -7.083 -7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.802 -6.078 -7.512 1.00 0.00 H new ATOM 0 HE ARG A 70 5.622 -8.571 -9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.804 -6.391 -7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.235 -6.911 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.473 -9.243 -10.220 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.047 -8.529 -9.857 1.00 0.00 H new ATOM 921 N ARG A 71 7.254 -6.751 -1.581 1.00 0.00 N ATOM 922 CA ARG A 71 8.131 -6.066 -0.645 1.00 0.00 C ATOM 923 C ARG A 71 9.296 -5.413 -1.390 1.00 0.00 C ATOM 924 O ARG A 71 9.715 -4.308 -1.048 1.00 0.00 O ATOM 925 CB ARG A 71 8.683 -7.035 0.402 1.00 0.00 C ATOM 926 CG ARG A 71 9.744 -6.358 1.271 1.00 0.00 C ATOM 927 CD ARG A 71 10.997 -7.228 1.387 1.00 0.00 C ATOM 928 NE ARG A 71 10.614 -8.652 1.507 1.00 0.00 N ATOM 929 CZ ARG A 71 11.489 -9.654 1.665 1.00 0.00 C ATOM 930 NH1 ARG A 71 12.803 -9.393 1.724 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.052 -10.916 1.764 1.00 0.00 N ATOM 0 H ARG A 71 6.778 -7.568 -1.200 1.00 0.00 H new ATOM 0 HA ARG A 71 7.543 -5.299 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.870 -7.398 1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.115 -7.904 -0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.007 -5.391 0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.337 -6.166 2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.631 -7.086 0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.581 -6.925 2.256 1.00 0.00 H new ATOM 0 HE ARG A 71 9.622 -8.885 1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.136 -8.432 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.470 -10.156 1.844 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.053 -11.115 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.719 -11.679 1.884 1.00 0.00 H new ATOM 945 N SER A 72 9.787 -6.123 -2.395 1.00 0.00 N ATOM 946 CA SER A 72 10.895 -5.626 -3.192 1.00 0.00 C ATOM 947 C SER A 72 10.369 -4.953 -4.461 1.00 0.00 C ATOM 948 O SER A 72 9.497 -5.497 -5.139 1.00 0.00 O ATOM 949 CB SER A 72 11.865 -6.754 -3.551 1.00 0.00 C ATOM 950 OG SER A 72 13.222 -6.386 -3.319 1.00 0.00 O ATOM 0 H SER A 72 9.437 -7.039 -2.676 1.00 0.00 H new ATOM 0 HA SER A 72 11.439 -4.891 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.624 -7.640 -2.963 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.736 -7.023 -4.600 1.00 0.00 H new ATOM 0 HG SER A 72 13.321 -5.417 -3.425 1.00 0.00 H new ATOM 956 N PHE A 73 10.920 -3.783 -4.746 1.00 0.00 N ATOM 957 CA PHE A 73 10.516 -3.031 -5.922 1.00 0.00 C ATOM 958 C PHE A 73 10.933 -1.564 -5.804 1.00 0.00 C ATOM 959 O PHE A 73 10.683 -0.924 -4.784 1.00 0.00 O ATOM 960 CB PHE A 73 8.990 -3.110 -6.001 1.00 0.00 C ATOM 961 CG PHE A 73 8.290 -3.016 -4.644 1.00 0.00 C ATOM 962 CD1 PHE A 73 8.986 -2.613 -3.546 1.00 0.00 C ATOM 963 CD2 PHE A 73 6.973 -3.334 -4.534 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.338 -2.526 -2.288 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.324 -3.247 -3.273 1.00 0.00 C ATOM 966 CZ PHE A 73 7.019 -2.845 -2.177 1.00 0.00 C ATOM 0 H PHE A 73 11.644 -3.337 -4.182 1.00 0.00 H new ATOM 0 HA PHE A 73 10.992 -3.446 -6.811 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.628 -2.306 -6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.709 -4.049 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.032 -2.359 -3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.420 -3.653 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.891 -2.206 -1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.278 -3.501 -3.186 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.526 -2.779 -1.219 1.00 0.00 H new ATOM 976 N GLU A 74 11.562 -1.075 -6.864 1.00 0.00 N ATOM 977 CA GLU A 74 12.015 0.306 -6.892 1.00 0.00 C ATOM 978 C GLU A 74 10.900 1.221 -7.400 1.00 0.00 C ATOM 979 O GLU A 74 10.604 1.242 -8.592 1.00 0.00 O ATOM 980 CB GLU A 74 13.275 0.449 -7.748 1.00 0.00 C ATOM 981 CG GLU A 74 13.887 1.844 -7.595 1.00 0.00 C ATOM 982 CD GLU A 74 15.117 2.005 -8.491 1.00 0.00 C ATOM 983 OE1 GLU A 74 15.129 1.359 -9.561 1.00 0.00 O ATOM 984 OE2 GLU A 74 16.016 2.772 -8.085 1.00 0.00 O ATOM 0 H GLU A 74 11.768 -1.609 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 74 12.268 0.607 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.005 -0.306 -7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.030 0.268 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.145 2.600 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.166 2.010 -6.555 1.00 0.00 H new ATOM 992 N GLY A 75 10.312 1.956 -6.468 1.00 0.00 N ATOM 993 CA GLY A 75 9.236 2.872 -6.805 1.00 0.00 C ATOM 994 C GLY A 75 9.764 4.297 -6.985 1.00 0.00 C ATOM 995 O GLY A 75 10.882 4.493 -7.462 1.00 0.00 O ATOM 0 H GLY A 75 10.561 1.936 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.748 2.543 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.481 2.857 -6.019 1.00 0.00 H new ATOM 999 N PHE A 76 8.936 5.255 -6.597 1.00 0.00 N ATOM 1000 CA PHE A 76 9.305 6.655 -6.710 1.00 0.00 C ATOM 1001 C PHE A 76 9.024 7.404 -5.404 1.00 0.00 C ATOM 1002 O PHE A 76 8.086 7.069 -4.683 1.00 0.00 O ATOM 1003 CB PHE A 76 8.448 7.257 -7.824 1.00 0.00 C ATOM 1004 CG PHE A 76 8.512 6.483 -9.144 1.00 0.00 C ATOM 1005 CD1 PHE A 76 7.935 5.258 -9.242 1.00 0.00 C ATOM 1006 CD2 PHE A 76 9.147 7.024 -10.217 1.00 0.00 C ATOM 1007 CE1 PHE A 76 7.995 4.540 -10.468 1.00 0.00 C ATOM 1008 CE2 PHE A 76 9.208 6.308 -11.443 1.00 0.00 C ATOM 1009 CZ PHE A 76 8.631 5.081 -11.542 1.00 0.00 C ATOM 0 H PHE A 76 8.010 5.089 -6.204 1.00 0.00 H new ATOM 0 HA PHE A 76 10.370 6.742 -6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.412 7.299 -7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.768 8.284 -8.000 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.430 4.829 -8.389 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.606 7.999 -10.138 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.536 3.566 -10.546 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.712 6.738 -12.296 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.678 4.536 -12.473 1.00 0.00 H new ATOM 1019 N LEU A 77 9.851 8.406 -5.144 1.00 0.00 N ATOM 1020 CA LEU A 77 9.702 9.204 -3.939 1.00 0.00 C ATOM 1021 C LEU A 77 8.823 10.418 -4.244 1.00 0.00 C ATOM 1022 O LEU A 77 8.446 10.643 -5.394 1.00 0.00 O ATOM 1023 CB LEU A 77 11.073 9.566 -3.364 1.00 0.00 C ATOM 1024 CG LEU A 77 12.134 8.464 -3.417 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.537 9.061 -3.553 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.022 7.535 -2.205 1.00 0.00 C ATOM 0 H LEU A 77 10.626 8.683 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 77 9.197 8.631 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.453 10.435 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.941 9.867 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 77 11.953 7.858 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.273 8.257 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.596 9.647 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.743 9.704 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.787 6.761 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.163 8.111 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.036 7.070 -2.193 1.00 0.00 H new ATOM 1038 N PHE A 78 8.524 11.170 -3.194 1.00 0.00 N ATOM 1039 CA PHE A 78 7.697 12.356 -3.336 1.00 0.00 C ATOM 1040 C PHE A 78 8.394 13.412 -4.196 1.00 0.00 C ATOM 1041 O PHE A 78 7.735 14.205 -4.867 1.00 0.00 O ATOM 1042 CB PHE A 78 7.482 12.920 -1.930 1.00 0.00 C ATOM 1043 CG PHE A 78 8.588 13.871 -1.465 1.00 0.00 C ATOM 1044 CD1 PHE A 78 9.844 13.394 -1.247 1.00 0.00 C ATOM 1045 CD2 PHE A 78 8.315 15.187 -1.266 1.00 0.00 C ATOM 1046 CE1 PHE A 78 10.871 14.275 -0.816 1.00 0.00 C ATOM 1047 CE2 PHE A 78 9.341 16.067 -0.835 1.00 0.00 C ATOM 1048 CZ PHE A 78 10.599 15.594 -0.617 1.00 0.00 C ATOM 0 H PHE A 78 8.840 10.981 -2.243 1.00 0.00 H new ATOM 0 HA PHE A 78 6.755 12.098 -3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.528 13.447 -1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.409 12.092 -1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.059 12.347 -1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.317 15.563 -1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.869 13.898 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 78 9.124 17.113 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 78 11.379 16.264 -0.287 1.00 0.00 H new ATOM 1058 N ASP A 79 9.718 13.389 -4.147 1.00 0.00 N ATOM 1059 CA ASP A 79 10.513 14.334 -4.911 1.00 0.00 C ATOM 1060 C ASP A 79 10.311 14.070 -6.407 1.00 0.00 C ATOM 1061 O ASP A 79 10.155 15.005 -7.189 1.00 0.00 O ATOM 1062 CB ASP A 79 12.003 14.181 -4.601 1.00 0.00 C ATOM 1063 CG ASP A 79 12.928 15.107 -5.394 1.00 0.00 C ATOM 1064 OD1 ASP A 79 13.369 16.113 -4.797 1.00 0.00 O ATOM 1065 OD2 ASP A 79 13.170 14.789 -6.578 1.00 0.00 O ATOM 0 H ASP A 79 10.260 12.729 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 79 10.192 15.340 -4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.158 14.362 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.295 13.149 -4.794 1.00 0.00 H new ATOM 1071 N GLY A 80 10.323 12.791 -6.755 1.00 0.00 N ATOM 1072 CA GLY A 80 10.144 12.392 -8.142 1.00 0.00 C ATOM 1073 C GLY A 80 11.165 11.324 -8.539 1.00 0.00 C ATOM 1074 O GLY A 80 11.113 10.794 -9.647 1.00 0.00 O ATOM 0 H GLY A 80 10.454 12.019 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.134 12.007 -8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.250 13.261 -8.791 1.00 0.00 H new ATOM 1078 N THR A 81 12.069 11.041 -7.613 1.00 0.00 N ATOM 1079 CA THR A 81 13.099 10.046 -7.854 1.00 0.00 C ATOM 1080 C THR A 81 12.476 8.656 -8.001 1.00 0.00 C ATOM 1081 O THR A 81 11.328 8.445 -7.617 1.00 0.00 O ATOM 1082 CB THR A 81 14.121 10.139 -6.720 1.00 0.00 C ATOM 1083 OG1 THR A 81 14.999 11.183 -7.125 1.00 0.00 O ATOM 1084 CG2 THR A 81 15.022 8.904 -6.640 1.00 0.00 C ATOM 0 H THR A 81 12.109 11.483 -6.695 1.00 0.00 H new ATOM 0 HA THR A 81 13.618 10.234 -8.794 1.00 0.00 H new ATOM 0 HB THR A 81 13.598 10.269 -5.772 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.692 11.310 -6.444 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.729 9.022 -5.819 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.411 8.018 -6.468 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.569 8.792 -7.576 1.00 0.00 H new ATOM 1092 N ARG A 82 13.262 7.745 -8.555 1.00 0.00 N ATOM 1093 CA ARG A 82 12.800 6.382 -8.757 1.00 0.00 C ATOM 1094 C ARG A 82 13.413 5.455 -7.705 1.00 0.00 C ATOM 1095 O ARG A 82 14.305 4.666 -8.013 1.00 0.00 O ATOM 1096 CB ARG A 82 13.173 5.875 -10.153 1.00 0.00 C ATOM 1097 CG ARG A 82 12.270 4.713 -10.573 1.00 0.00 C ATOM 1098 CD ARG A 82 13.049 3.679 -11.386 1.00 0.00 C ATOM 1099 NE ARG A 82 12.495 2.328 -11.149 1.00 0.00 N ATOM 1100 CZ ARG A 82 12.686 1.284 -11.967 1.00 0.00 C ATOM 1101 NH1 ARG A 82 13.418 1.430 -13.082 1.00 0.00 N ATOM 1102 NH2 ARG A 82 12.147 0.093 -11.672 1.00 0.00 N ATOM 0 H ARG A 82 14.215 7.924 -8.870 1.00 0.00 H new ATOM 0 HA ARG A 82 11.714 6.381 -8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.086 6.687 -10.874 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.214 5.553 -10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.845 4.240 -9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.436 5.091 -11.164 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.995 3.922 -12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.102 3.703 -11.107 1.00 0.00 H new ATOM 0 HE ARG A 82 11.933 2.182 -10.311 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.829 2.336 -13.307 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.563 0.635 -13.704 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.591 -0.019 -10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.293 -0.701 -12.295 1.00 0.00 H new ATOM 1116 N TRP A 83 12.908 5.580 -6.487 1.00 0.00 N ATOM 1117 CA TRP A 83 13.394 4.762 -5.388 1.00 0.00 C ATOM 1118 C TRP A 83 12.270 3.807 -4.977 1.00 0.00 C ATOM 1119 O TRP A 83 12.256 2.648 -5.387 1.00 0.00 O ATOM 1120 CB TRP A 83 13.889 5.635 -4.233 1.00 0.00 C ATOM 1121 CG TRP A 83 14.381 4.842 -3.021 1.00 0.00 C ATOM 1122 CD1 TRP A 83 13.666 4.059 -2.200 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.734 4.786 -2.522 1.00 0.00 C ATOM 1124 NE1 TRP A 83 14.457 3.506 -1.213 1.00 0.00 N ATOM 1125 CE2 TRP A 83 15.754 3.960 -1.416 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.906 5.410 -2.992 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 16.918 3.685 -0.687 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 18.057 5.125 -2.249 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.094 4.297 -1.135 1.00 0.00 C ATOM 0 H TRP A 83 12.167 6.235 -6.236 1.00 0.00 H new ATOM 0 HA TRP A 83 14.257 4.172 -5.697 1.00 0.00 H new ATOM 0 HB2 TRP A 83 14.699 6.270 -4.592 1.00 0.00 H new ATOM 0 HB3 TRP A 83 13.081 6.296 -3.918 1.00 0.00 H new ATOM 0 HD1 TRP A 83 12.605 3.883 -2.299 1.00 0.00 H new ATOM 0 HE1 TRP A 83 14.146 2.879 -0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.916 6.057 -3.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.908 3.035 0.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.983 5.582 -2.565 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.026 4.126 -0.617 1.00 0.00 H new ATOM 1140 N GLY A 84 11.357 4.331 -4.171 1.00 0.00 N ATOM 1141 CA GLY A 84 10.234 3.538 -3.701 1.00 0.00 C ATOM 1142 C GLY A 84 10.716 2.267 -3.002 1.00 0.00 C ATOM 1143 O GLY A 84 10.838 1.215 -3.630 1.00 0.00 O ATOM 0 H GLY A 84 11.372 5.293 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.630 4.129 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.593 3.274 -4.542 1.00 0.00 H new ATOM 1147 N THR A 85 10.976 2.402 -1.708 1.00 0.00 N ATOM 1148 CA THR A 85 11.442 1.275 -0.917 1.00 0.00 C ATOM 1149 C THR A 85 12.593 0.563 -1.627 1.00 0.00 C ATOM 1150 O THR A 85 13.752 0.719 -1.248 1.00 0.00 O ATOM 1151 CB THR A 85 10.243 0.366 -0.638 1.00 0.00 C ATOM 1152 OG1 THR A 85 9.712 0.855 0.589 1.00 0.00 O ATOM 1153 CG2 THR A 85 10.659 -1.070 -0.321 1.00 0.00 C ATOM 0 H THR A 85 10.873 3.274 -1.189 1.00 0.00 H new ATOM 0 HA THR A 85 11.848 1.604 0.039 1.00 0.00 H new ATOM 0 HB THR A 85 9.578 0.368 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.462 0.100 1.162 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.771 -1.673 -0.131 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.205 -1.486 -1.168 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.298 -1.077 0.562 1.00 0.00 H new ATOM 1161 N VAL A 86 12.232 -0.205 -2.646 1.00 0.00 N ATOM 1162 CA VAL A 86 13.221 -0.941 -3.413 1.00 0.00 C ATOM 1163 C VAL A 86 13.471 -2.296 -2.748 1.00 0.00 C ATOM 1164 O VAL A 86 13.612 -3.311 -3.429 1.00 0.00 O ATOM 1165 CB VAL A 86 14.495 -0.108 -3.566 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.341 -0.607 -4.738 1.00 0.00 C ATOM 1167 CG2 VAL A 86 14.162 1.378 -3.724 1.00 0.00 C ATOM 0 H VAL A 86 11.269 -0.333 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 86 12.853 -1.135 -4.421 1.00 0.00 H new ATOM 0 HB VAL A 86 15.083 -0.226 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.240 0.003 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 86 15.622 -1.646 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.764 -0.534 -5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.085 1.948 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.543 1.520 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.621 1.725 -2.844 1.00 0.00 H new ATOM 1177 N ASP A 87 13.520 -2.269 -1.424 1.00 0.00 N ATOM 1178 CA ASP A 87 13.751 -3.482 -0.657 1.00 0.00 C ATOM 1179 C ASP A 87 13.197 -3.302 0.755 1.00 0.00 C ATOM 1180 O ASP A 87 13.941 -2.994 1.684 1.00 0.00 O ATOM 1181 CB ASP A 87 15.245 -3.786 -0.544 1.00 0.00 C ATOM 1182 CG ASP A 87 15.603 -5.272 -0.501 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.785 -6.037 0.055 1.00 0.00 O ATOM 1184 OD2 ASP A 87 16.686 -5.612 -1.024 1.00 0.00 O ATOM 0 H ASP A 87 13.404 -1.426 -0.862 1.00 0.00 H new ATOM 0 HA ASP A 87 13.254 -4.305 -1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.758 -3.329 -1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.630 -3.309 0.357 1.00 0.00 H new ATOM 1190 N CYS A 88 11.891 -3.500 0.874 1.00 0.00 N ATOM 1191 CA CYS A 88 11.227 -3.364 2.160 1.00 0.00 C ATOM 1192 C CYS A 88 11.697 -4.501 3.067 1.00 0.00 C ATOM 1193 O CYS A 88 10.892 -5.314 3.518 1.00 0.00 O ATOM 1194 CB CYS A 88 9.705 -3.345 2.012 1.00 0.00 C ATOM 1195 SG CYS A 88 8.893 -1.823 2.624 1.00 0.00 S ATOM 0 H CYS A 88 11.276 -3.753 0.101 1.00 0.00 H new ATOM 0 HA CYS A 88 11.495 -2.408 2.610 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.455 -3.475 0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.291 -4.200 2.546 1.00 0.00 H new ATOM 1200 N THR A 89 13.001 -4.522 3.308 1.00 0.00 N ATOM 1201 CA THR A 89 13.588 -5.547 4.155 1.00 0.00 C ATOM 1202 C THR A 89 13.561 -5.111 5.621 1.00 0.00 C ATOM 1203 O THR A 89 13.863 -5.900 6.514 1.00 0.00 O ATOM 1204 CB THR A 89 14.997 -5.842 3.634 1.00 0.00 C ATOM 1205 OG1 THR A 89 15.430 -6.954 4.411 1.00 0.00 O ATOM 1206 CG2 THR A 89 15.991 -4.733 3.984 1.00 0.00 C ATOM 0 H THR A 89 13.666 -3.846 2.932 1.00 0.00 H new ATOM 0 HA THR A 89 13.010 -6.470 4.114 1.00 0.00 H new ATOM 0 HB THR A 89 14.965 -5.975 2.553 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.125 -6.845 5.336 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.975 -4.990 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.658 -3.794 3.542 1.00 0.00 H new ATOM 0 HG23 THR A 89 16.048 -4.624 5.067 1.00 0.00 H new ATOM 1214 N THR A 90 13.192 -3.853 5.823 1.00 0.00 N ATOM 1215 CA THR A 90 13.121 -3.302 7.165 1.00 0.00 C ATOM 1216 C THR A 90 12.049 -2.214 7.238 1.00 0.00 C ATOM 1217 O THR A 90 11.269 -2.168 8.188 1.00 0.00 O ATOM 1218 CB THR A 90 14.518 -2.804 7.545 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.214 -3.988 7.927 1.00 0.00 O ATOM 1220 CG2 THR A 90 14.508 -1.952 8.817 1.00 0.00 C ATOM 0 H THR A 90 12.940 -3.201 5.080 1.00 0.00 H new ATOM 0 HA THR A 90 12.821 -4.060 7.889 1.00 0.00 H new ATOM 0 HB THR A 90 14.935 -2.224 6.722 1.00 0.00 H new ATOM 0 HG1 THR A 90 14.730 -4.773 7.596 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.523 -1.624 9.043 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.870 -1.081 8.667 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.124 -2.544 9.648 1.00 0.00 H new ATOM 1228 N ALA A 91 12.041 -1.365 6.221 1.00 0.00 N ATOM 1229 CA ALA A 91 11.076 -0.280 6.156 1.00 0.00 C ATOM 1230 C ALA A 91 9.661 -0.860 6.163 1.00 0.00 C ATOM 1231 O ALA A 91 9.415 -1.916 5.581 1.00 0.00 O ATOM 1232 CB ALA A 91 11.349 0.574 4.916 1.00 0.00 C ATOM 0 H ALA A 91 12.688 -1.407 5.434 1.00 0.00 H new ATOM 0 HA ALA A 91 11.171 0.369 7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.625 1.387 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.356 0.987 4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.261 -0.044 4.022 1.00 0.00 H new ATOM 1238 N ALA A 92 8.766 -0.148 6.831 1.00 0.00 N ATOM 1239 CA ALA A 92 7.381 -0.579 6.923 1.00 0.00 C ATOM 1240 C ALA A 92 6.580 0.052 5.785 1.00 0.00 C ATOM 1241 O ALA A 92 6.370 1.264 5.764 1.00 0.00 O ATOM 1242 CB ALA A 92 6.825 -0.216 8.301 1.00 0.00 C ATOM 0 H ALA A 92 8.973 0.726 7.315 1.00 0.00 H new ATOM 0 HA ALA A 92 7.306 -1.661 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.786 -0.539 8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.412 -0.713 9.073 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.880 0.863 8.443 1.00 0.00 H new ATOM 1248 N CYS A 93 6.150 -0.798 4.863 1.00 0.00 N ATOM 1249 CA CYS A 93 5.375 -0.339 3.723 1.00 0.00 C ATOM 1250 C CYS A 93 3.891 -0.435 4.081 1.00 0.00 C ATOM 1251 O CYS A 93 3.422 -1.483 4.523 1.00 0.00 O ATOM 1252 CB CYS A 93 5.708 -1.130 2.455 1.00 0.00 C ATOM 1253 SG CYS A 93 7.043 -2.365 2.652 1.00 0.00 S ATOM 0 H CYS A 93 6.324 -1.803 4.883 1.00 0.00 H new ATOM 0 HA CYS A 93 5.629 0.698 3.502 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.807 -1.640 2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.993 -0.429 1.670 1.00 0.00 H new ATOM 1258 N GLN A 94 3.193 0.674 3.879 1.00 0.00 N ATOM 1259 CA GLN A 94 1.772 0.727 4.175 1.00 0.00 C ATOM 1260 C GLN A 94 0.954 0.449 2.912 1.00 0.00 C ATOM 1261 O GLN A 94 0.943 1.257 1.984 1.00 0.00 O ATOM 1262 CB GLN A 94 1.390 2.076 4.789 1.00 0.00 C ATOM 1263 CG GLN A 94 2.084 2.282 6.135 1.00 0.00 C ATOM 1264 CD GLN A 94 2.332 3.768 6.405 1.00 0.00 C ATOM 1265 OE1 GLN A 94 1.459 4.607 6.254 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.569 4.045 6.809 1.00 0.00 N ATOM 0 H GLN A 94 3.586 1.542 3.514 1.00 0.00 H new ATOM 0 HA GLN A 94 1.545 -0.047 4.908 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.665 2.881 4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.309 2.126 4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.471 1.862 6.932 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.032 1.744 6.145 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.251 3.294 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.835 5.008 7.013 1.00 0.00 H new ATOM 1275 N VAL A 95 0.292 -0.699 2.916 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.526 -1.093 1.782 1.00 0.00 C ATOM 1277 C VAL A 95 -1.940 -0.543 1.961 1.00 0.00 C ATOM 1278 O VAL A 95 -2.728 -1.081 2.742 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.493 -2.615 1.620 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -0.715 -3.015 0.158 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.818 -3.196 2.154 1.00 0.00 C ATOM 0 H VAL A 95 0.306 -1.368 3.686 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.129 -0.670 0.859 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.309 -3.033 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.687 -4.101 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.686 -2.649 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.070 -2.580 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.815 -4.279 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.656 -2.768 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.918 -2.956 3.212 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.224 0.524 1.228 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.531 1.155 1.297 1.00 0.00 C ATOM 1293 C GLY A 96 -3.817 1.964 0.030 1.00 0.00 C ATOM 1294 O GLY A 96 -2.963 2.068 -0.849 1.00 0.00 O ATOM 0 H GLY A 96 -1.570 0.968 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.300 0.394 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.578 1.808 2.168 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.021 2.515 -0.021 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.431 3.312 -1.165 1.00 0.00 C ATOM 1300 C LEU A 97 -5.497 4.785 -0.758 1.00 0.00 C ATOM 1301 O LEU A 97 -6.206 5.141 0.183 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.738 2.776 -1.751 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.747 2.220 -0.744 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.158 2.198 -1.335 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.313 0.841 -0.240 1.00 0.00 C ATOM 0 H LEU A 97 -5.726 2.425 0.711 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.695 3.235 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.218 3.579 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.497 1.989 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.772 2.886 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.855 1.798 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.456 3.212 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.170 1.568 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.047 0.467 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.242 0.152 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.341 0.921 0.246 1.00 0.00 H new ATOM 1317 N SER A 98 -4.748 5.600 -1.485 1.00 0.00 N ATOM 1318 CA SER A 98 -4.712 7.027 -1.211 1.00 0.00 C ATOM 1319 C SER A 98 -5.547 7.780 -2.248 1.00 0.00 C ATOM 1320 O SER A 98 -5.644 7.356 -3.400 1.00 0.00 O ATOM 1321 CB SER A 98 -3.274 7.552 -1.203 1.00 0.00 C ATOM 1322 OG SER A 98 -2.792 7.766 0.120 1.00 0.00 O ATOM 0 H SER A 98 -4.161 5.300 -2.264 1.00 0.00 H new ATOM 0 HA SER A 98 -5.136 7.195 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.625 6.841 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.226 8.486 -1.762 1.00 0.00 H new ATOM 0 HG SER A 98 -3.529 7.663 0.757 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.128 8.886 -1.805 1.00 0.00 N ATOM 1329 CA ASP A 99 -6.950 9.702 -2.683 1.00 0.00 C ATOM 1330 C ASP A 99 -6.277 9.808 -4.053 1.00 0.00 C ATOM 1331 O ASP A 99 -5.081 9.553 -4.182 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.115 11.117 -2.125 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.073 11.219 -0.599 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.325 10.180 0.046 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -6.785 12.333 -0.112 1.00 0.00 O ATOM 0 H ASP A 99 -6.046 9.236 -0.850 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.929 9.230 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.328 11.748 -2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.065 11.521 -2.475 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.074 10.189 -5.039 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.570 10.334 -6.395 1.00 0.00 C ATOM 1343 C ALA A 100 -5.601 11.517 -6.451 1.00 0.00 C ATOM 1344 O ALA A 100 -4.896 11.700 -7.441 1.00 0.00 O ATOM 1345 CB ALA A 100 -7.744 10.498 -7.362 1.00 0.00 C ATOM 0 H ALA A 100 -8.065 10.402 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.021 9.442 -6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.366 10.607 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.387 9.620 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.317 11.385 -7.091 1.00 0.00 H new ATOM 1351 N ALA A 101 -5.598 12.288 -5.375 1.00 0.00 N ATOM 1352 CA ALA A 101 -4.727 13.448 -5.288 1.00 0.00 C ATOM 1353 C ALA A 101 -3.369 13.021 -4.725 1.00 0.00 C ATOM 1354 O ALA A 101 -2.377 13.732 -4.884 1.00 0.00 O ATOM 1355 CB ALA A 101 -5.396 14.529 -4.435 1.00 0.00 C ATOM 0 H ALA A 101 -6.185 12.133 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.556 13.872 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.742 15.398 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.342 14.820 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.582 14.140 -3.434 1.00 0.00 H new ATOM 1361 N GLY A 102 -3.370 11.864 -4.080 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.151 11.335 -3.493 1.00 0.00 C ATOM 1363 C GLY A 102 -1.953 11.862 -2.071 1.00 0.00 C ATOM 1364 O GLY A 102 -0.856 12.287 -1.709 1.00 0.00 O ATOM 0 H GLY A 102 -4.195 11.278 -3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.193 10.246 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.296 11.613 -4.110 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.032 11.818 -1.301 1.00 0.00 N ATOM 1369 CA ASN A 103 -2.991 12.287 0.073 1.00 0.00 C ATOM 1370 C ASN A 103 -3.771 11.316 0.963 1.00 0.00 C ATOM 1371 O ASN A 103 -4.788 10.766 0.542 1.00 0.00 O ATOM 1372 CB ASN A 103 -3.633 13.669 0.204 1.00 0.00 C ATOM 1373 CG ASN A 103 -3.455 14.480 -1.081 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -4.403 14.812 -1.773 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -2.189 14.779 -1.360 1.00 0.00 N ATOM 0 H ASN A 103 -3.940 11.464 -1.604 1.00 0.00 H new ATOM 0 HA ASN A 103 -1.946 12.346 0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.695 13.561 0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.185 14.204 1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.965 15.318 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.443 14.470 -0.737 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.266 11.137 2.175 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.903 10.242 3.127 1.00 0.00 C ATOM 1384 C GLY A 104 -3.018 9.029 3.414 1.00 0.00 C ATOM 1385 O GLY A 104 -2.803 8.190 2.539 1.00 0.00 O ATOM 0 H GLY A 104 -2.423 11.596 2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.106 10.777 4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.864 9.911 2.734 1.00 0.00 H new ATOM 1389 N PRO A 105 -2.517 8.969 4.676 1.00 0.00 N ATOM 1390 CA PRO A 105 -1.660 7.870 5.090 1.00 0.00 C ATOM 1391 C PRO A 105 -2.474 6.596 5.317 1.00 0.00 C ATOM 1392 O PRO A 105 -2.473 6.040 6.414 1.00 0.00 O ATOM 1393 CB PRO A 105 -0.968 8.364 6.352 1.00 0.00 C ATOM 1394 CG PRO A 105 -1.804 9.531 6.855 1.00 0.00 C ATOM 1395 CD PRO A 105 -2.751 9.941 5.739 1.00 0.00 C ATOM 0 HA PRO A 105 -0.928 7.599 4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.910 7.574 7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.054 8.678 6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.364 9.244 7.745 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.163 10.366 7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.788 9.920 6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.546 10.956 5.399 1.00 0.00 H new ATOM 1403 N GLU A 106 -3.151 6.168 4.261 1.00 0.00 N ATOM 1404 CA GLU A 106 -3.969 4.968 4.331 1.00 0.00 C ATOM 1405 C GLU A 106 -3.137 3.738 3.960 1.00 0.00 C ATOM 1406 O GLU A 106 -2.249 3.816 3.113 1.00 0.00 O ATOM 1407 CB GLU A 106 -5.199 5.090 3.430 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.488 5.035 4.252 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.050 6.439 4.486 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -8.006 6.795 3.764 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -6.509 7.125 5.381 1.00 0.00 O ATOM 0 H GLU A 106 -3.150 6.631 3.352 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.321 4.850 5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.157 6.028 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.197 4.285 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.228 4.425 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.292 4.554 5.210 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.454 2.629 4.614 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.749 1.386 4.365 1.00 0.00 C ATOM 1421 C GLY A 107 -2.319 0.726 5.676 1.00 0.00 C ATOM 1422 O GLY A 107 -2.179 1.396 6.696 1.00 0.00 O ATOM 0 H GLY A 107 -4.191 2.568 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.391 0.706 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.872 1.579 3.746 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.124 -0.584 5.608 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.714 -1.342 6.776 1.00 0.00 C ATOM 1428 C VAL A 108 -0.217 -1.646 6.683 1.00 0.00 C ATOM 1429 O VAL A 108 0.301 -1.899 5.596 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.572 -2.600 6.912 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -1.984 -3.756 6.100 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.743 -2.992 8.382 1.00 0.00 C ATOM 0 H VAL A 108 -2.243 -1.139 4.760 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.871 -0.759 7.683 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.560 -2.377 6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.614 -4.638 6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.940 -3.476 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.979 -3.978 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.357 -3.890 8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.765 -3.187 8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.228 -2.179 8.921 1.00 0.00 H new ATOM 1442 N ALA A 109 0.436 -1.611 7.835 1.00 0.00 N ATOM 1443 CA ALA A 109 1.862 -1.881 7.897 1.00 0.00 C ATOM 1444 C ALA A 109 2.109 -3.361 7.601 1.00 0.00 C ATOM 1445 O ALA A 109 2.019 -4.200 8.495 1.00 0.00 O ATOM 1446 CB ALA A 109 2.402 -1.460 9.265 1.00 0.00 C ATOM 0 H ALA A 109 0.003 -1.399 8.734 1.00 0.00 H new ATOM 0 HA ALA A 109 2.396 -1.301 7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.472 -1.663 9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.228 -0.394 9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.892 -2.023 10.047 1.00 0.00 H new ATOM 1452 N ILE A 110 2.420 -3.638 6.343 1.00 0.00 N ATOM 1453 CA ILE A 110 2.681 -5.002 5.918 1.00 0.00 C ATOM 1454 C ILE A 110 4.101 -5.397 6.333 1.00 0.00 C ATOM 1455 O ILE A 110 4.944 -4.534 6.573 1.00 0.00 O ATOM 1456 CB ILE A 110 2.414 -5.158 4.420 1.00 0.00 C ATOM 1457 CG1 ILE A 110 1.109 -5.915 4.172 1.00 0.00 C ATOM 1458 CG2 ILE A 110 3.601 -5.817 3.716 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.104 -5.032 4.472 1.00 0.00 C ATOM 0 H ILE A 110 2.497 -2.939 5.604 1.00 0.00 H new ATOM 0 HA ILE A 110 1.998 -5.692 6.413 1.00 0.00 H new ATOM 0 HB ILE A 110 2.297 -4.164 3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.071 -6.251 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.077 -6.807 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.384 -5.916 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.491 -5.201 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.775 -6.804 4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.019 -5.595 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.076 -4.718 5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.083 -4.153 3.827 1.00 0.00 H new ATOM 1471 N SER A 111 4.320 -6.701 6.404 1.00 0.00 N ATOM 1472 CA SER A 111 5.621 -7.221 6.788 1.00 0.00 C ATOM 1473 C SER A 111 5.501 -8.694 7.179 1.00 0.00 C ATOM 1474 O SER A 111 5.850 -9.579 6.398 1.00 0.00 O ATOM 1475 CB SER A 111 6.220 -6.414 7.940 1.00 0.00 C ATOM 1476 OG SER A 111 7.172 -5.455 7.483 1.00 0.00 O ATOM 0 H SER A 111 3.618 -7.413 6.202 1.00 0.00 H new ATOM 0 HA SER A 111 6.290 -7.132 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.422 -5.904 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.699 -7.092 8.647 1.00 0.00 H new ATOM 0 HG SER A 111 6.713 -4.755 6.974 1.00 0.00 H new