USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=28 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= -0.521 F(o=-6.2!,f=-1.4) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -2.32 F(o=-4.1!,f=-1.4) USER MOD Set 1.3: A 85 THR OG1 : rot -124:sc= 1.43 USER MOD Single : A 4 THR OG1 : rot -74:sc= 0.529 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 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc=-0.00671 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 54:sc= 0.681 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -14.3! C(o=-14!,f=-21!) USER MOD Single : A 30 THR OG1 : rot 107:sc= 0.937 USER MOD Single : A 32 TYR OH : rot -89:sc= 1.03 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -68:sc= -1.29 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -125:sc= -6.19! USER MOD Single : A 60 ASN : amide:sc= -0.33 K(o=-0.33,f=-1.7!) USER MOD Single : A 62 SER OG : rot 180:sc= -1.04 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 90:sc= -2.32! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 72 SER OG : rot 26:sc= 0.456 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -22:sc= 0.0974 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 94 GLN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -2.72 F(o=-3.6!,f=-2.7) USER MOD Single : A 111 SER OG : rot -103:sc= 0.0826 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -10.085 -1.961 11.060 1.00 0.00 N ATOM 22 CA PRO A 3 -10.910 -1.901 9.863 1.00 0.00 C ATOM 23 C PRO A 3 -10.103 -1.386 8.668 1.00 0.00 C ATOM 24 O PRO A 3 -8.880 -1.512 8.639 1.00 0.00 O ATOM 25 CB PRO A 3 -12.072 -0.996 10.229 1.00 0.00 C ATOM 26 CG PRO A 3 -11.622 -0.213 11.453 1.00 0.00 C ATOM 27 CD PRO A 3 -10.377 -0.889 12.005 1.00 0.00 C ATOM 0 HA PRO A 3 -11.271 -2.881 9.551 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.319 -0.326 9.406 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.967 -1.579 10.446 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.408 0.822 11.187 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.411 -0.193 12.205 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.545 -0.188 12.077 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.551 -1.281 13.007 1.00 0.00 H new ATOM 35 N THR A 4 -10.822 -0.815 7.713 1.00 0.00 N ATOM 36 CA THR A 4 -10.190 -0.279 6.519 1.00 0.00 C ATOM 37 C THR A 4 -9.602 -1.409 5.673 1.00 0.00 C ATOM 38 O THR A 4 -9.942 -2.575 5.868 1.00 0.00 O ATOM 39 CB THR A 4 -9.151 0.754 6.959 1.00 0.00 C ATOM 40 OG1 THR A 4 -7.956 -0.003 7.121 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.431 1.310 8.356 1.00 0.00 C ATOM 0 H THR A 4 -11.836 -0.712 7.742 1.00 0.00 H new ATOM 0 HA THR A 4 -10.916 0.220 5.877 1.00 0.00 H new ATOM 0 HB THR A 4 -9.129 1.573 6.240 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.016 -0.537 7.940 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.664 2.038 8.618 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.408 1.793 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.421 0.496 9.080 1.00 0.00 H new ATOM 49 N ALA A 5 -8.732 -1.025 4.752 1.00 0.00 N ATOM 50 CA ALA A 5 -8.096 -1.993 3.874 1.00 0.00 C ATOM 51 C ALA A 5 -6.965 -2.693 4.633 1.00 0.00 C ATOM 52 O ALA A 5 -6.080 -2.039 5.178 1.00 0.00 O ATOM 53 CB ALA A 5 -7.599 -1.287 2.610 1.00 0.00 C ATOM 0 H ALA A 5 -8.452 -0.057 4.594 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.809 -2.756 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.122 -2.013 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.442 -0.828 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.878 -0.516 2.883 1.00 0.00 H new ATOM 59 N THR A 6 -7.032 -4.017 4.638 1.00 0.00 N ATOM 60 CA THR A 6 -6.027 -4.814 5.318 1.00 0.00 C ATOM 61 C THR A 6 -5.579 -5.978 4.433 1.00 0.00 C ATOM 62 O THR A 6 -6.384 -6.552 3.700 1.00 0.00 O ATOM 63 CB THR A 6 -6.607 -5.263 6.661 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.000 -5.414 6.404 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.542 -4.161 7.723 1.00 0.00 C ATOM 0 H THR A 6 -7.767 -4.557 4.182 1.00 0.00 H new ATOM 0 HA THR A 6 -5.128 -4.230 5.514 1.00 0.00 H new ATOM 0 HB THR A 6 -6.068 -6.142 7.014 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.454 -5.705 7.222 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.966 -4.530 8.657 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.503 -3.873 7.885 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.110 -3.295 7.384 1.00 0.00 H new ATOM 73 N VAL A 7 -4.295 -6.292 4.525 1.00 0.00 N ATOM 74 CA VAL A 7 -3.730 -7.376 3.742 1.00 0.00 C ATOM 75 C VAL A 7 -3.971 -8.703 4.466 1.00 0.00 C ATOM 76 O VAL A 7 -3.601 -8.855 5.629 1.00 0.00 O ATOM 77 CB VAL A 7 -2.250 -7.107 3.464 1.00 0.00 C ATOM 78 CG1 VAL A 7 -1.470 -8.415 3.331 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.075 -6.235 2.220 1.00 0.00 C ATOM 0 H VAL A 7 -3.629 -5.813 5.131 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.222 -7.441 2.771 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.844 -6.561 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.421 -8.195 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.553 -8.984 4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.879 -9.000 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.014 -6.059 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.506 -6.742 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.581 -5.281 2.370 1.00 0.00 H new ATOM 89 N THR A 8 -4.589 -9.630 3.749 1.00 0.00 N ATOM 90 CA THR A 8 -4.884 -10.936 4.307 1.00 0.00 C ATOM 91 C THR A 8 -3.847 -11.308 5.372 1.00 0.00 C ATOM 92 O THR A 8 -4.163 -11.354 6.559 1.00 0.00 O ATOM 93 CB THR A 8 -4.956 -11.940 3.154 1.00 0.00 C ATOM 94 OG1 THR A 8 -6.340 -11.989 2.824 1.00 0.00 O ATOM 95 CG2 THR A 8 -4.627 -13.367 3.597 1.00 0.00 C ATOM 0 H THR A 8 -4.894 -9.501 2.784 1.00 0.00 H new ATOM 0 HA THR A 8 -5.846 -10.938 4.819 1.00 0.00 H new ATOM 0 HB THR A 8 -4.266 -11.638 2.366 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.478 -12.616 2.083 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.693 -14.038 2.741 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.617 -13.397 4.005 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.337 -13.683 4.361 1.00 0.00 H new ATOM 103 N PRO A 9 -2.601 -11.569 4.893 1.00 0.00 N ATOM 104 CA PRO A 9 -1.518 -11.932 5.790 1.00 0.00 C ATOM 105 C PRO A 9 -1.007 -10.712 6.557 1.00 0.00 C ATOM 106 O PRO A 9 -1.699 -9.699 6.654 1.00 0.00 O ATOM 107 CB PRO A 9 -0.460 -12.558 4.896 1.00 0.00 C ATOM 108 CG PRO A 9 -0.787 -12.102 3.482 1.00 0.00 C ATOM 109 CD PRO A 9 -2.193 -11.523 3.493 1.00 0.00 C ATOM 0 HA PRO A 9 -1.831 -12.632 6.565 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.539 -12.236 5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.479 -13.645 4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.069 -11.354 3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.724 -12.939 2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.204 -10.502 3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.866 -12.106 2.865 1.00 0.00 H new ATOM 117 N SER A 10 0.202 -10.846 7.083 1.00 0.00 N ATOM 118 CA SER A 10 0.814 -9.767 7.839 1.00 0.00 C ATOM 119 C SER A 10 2.336 -9.806 7.667 1.00 0.00 C ATOM 120 O SER A 10 2.910 -8.948 7.001 1.00 0.00 O ATOM 121 CB SER A 10 0.444 -9.853 9.319 1.00 0.00 C ATOM 122 OG SER A 10 0.420 -8.569 9.939 1.00 0.00 O ATOM 0 H SER A 10 0.774 -11.686 7.000 1.00 0.00 H new ATOM 0 HA SER A 10 0.435 -8.820 7.453 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.534 -10.323 9.421 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.161 -10.492 9.835 1.00 0.00 H new ATOM 0 HG SER A 10 0.178 -8.666 10.884 1.00 0.00 H new ATOM 128 N SER A 11 2.942 -10.811 8.283 1.00 0.00 N ATOM 129 CA SER A 11 4.384 -10.971 8.208 1.00 0.00 C ATOM 130 C SER A 11 4.729 -12.216 7.385 1.00 0.00 C ATOM 131 O SER A 11 3.958 -13.173 7.347 1.00 0.00 O ATOM 132 CB SER A 11 5.000 -11.073 9.605 1.00 0.00 C ATOM 133 OG SER A 11 6.334 -11.573 9.564 1.00 0.00 O ATOM 0 H SER A 11 2.461 -11.521 8.835 1.00 0.00 H new ATOM 0 HA SER A 11 4.801 -10.091 7.719 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.995 -10.090 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.387 -11.727 10.225 1.00 0.00 H new ATOM 0 HG SER A 11 6.693 -11.622 10.475 1.00 0.00 H new ATOM 139 N GLY A 12 5.888 -12.160 6.746 1.00 0.00 N ATOM 140 CA GLY A 12 6.344 -13.267 5.925 1.00 0.00 C ATOM 141 C GLY A 12 5.888 -13.103 4.475 1.00 0.00 C ATOM 142 O GLY A 12 5.531 -14.078 3.817 1.00 0.00 O ATOM 0 H GLY A 12 6.525 -11.364 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.432 -13.327 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.959 -14.204 6.327 1.00 0.00 H new ATOM 146 N LEU A 13 5.912 -11.859 4.019 1.00 0.00 N ATOM 147 CA LEU A 13 5.505 -11.552 2.658 1.00 0.00 C ATOM 148 C LEU A 13 6.723 -11.633 1.736 1.00 0.00 C ATOM 149 O LEU A 13 7.854 -11.432 2.176 1.00 0.00 O ATOM 150 CB LEU A 13 4.782 -10.205 2.607 1.00 0.00 C ATOM 151 CG LEU A 13 3.653 -10.010 3.622 1.00 0.00 C ATOM 152 CD1 LEU A 13 2.559 -9.102 3.058 1.00 0.00 C ATOM 153 CD2 LEU A 13 3.099 -11.356 4.089 1.00 0.00 C ATOM 0 H LEU A 13 6.207 -11.052 4.568 1.00 0.00 H new ATOM 0 HA LEU A 13 4.785 -12.288 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.518 -9.415 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.371 -10.074 1.606 1.00 0.00 H new ATOM 0 HG LEU A 13 4.064 -9.510 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.769 -8.980 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.984 -8.128 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.143 -9.550 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.298 -11.190 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.708 -11.905 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.895 -11.934 4.558 1.00 0.00 H new ATOM 165 N SER A 14 6.450 -11.924 0.472 1.00 0.00 N ATOM 166 CA SER A 14 7.510 -12.033 -0.516 1.00 0.00 C ATOM 167 C SER A 14 7.280 -11.025 -1.642 1.00 0.00 C ATOM 168 O SER A 14 6.148 -10.615 -1.891 1.00 0.00 O ATOM 169 CB SER A 14 7.593 -13.453 -1.082 1.00 0.00 C ATOM 170 OG SER A 14 8.834 -13.696 -1.734 1.00 0.00 O ATOM 0 H SER A 14 5.511 -12.087 0.110 1.00 0.00 H new ATOM 0 HA SER A 14 8.458 -11.811 -0.026 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.461 -14.173 -0.275 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.776 -13.611 -1.787 1.00 0.00 H new ATOM 0 HG SER A 14 8.848 -14.613 -2.080 1.00 0.00 H new ATOM 176 N ASP A 15 8.373 -10.655 -2.295 1.00 0.00 N ATOM 177 CA ASP A 15 8.304 -9.702 -3.389 1.00 0.00 C ATOM 178 C ASP A 15 7.364 -10.239 -4.471 1.00 0.00 C ATOM 179 O ASP A 15 7.817 -10.785 -5.477 1.00 0.00 O ATOM 180 CB ASP A 15 9.681 -9.490 -4.021 1.00 0.00 C ATOM 181 CG ASP A 15 9.658 -8.991 -5.469 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.787 -8.145 -5.764 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.513 -9.467 -6.246 1.00 0.00 O ATOM 0 H ASP A 15 9.311 -10.998 -2.087 1.00 0.00 H new ATOM 0 HA ASP A 15 7.941 -8.755 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.236 -8.774 -3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.229 -10.431 -3.985 1.00 0.00 H new ATOM 189 N GLY A 16 6.074 -10.069 -4.225 1.00 0.00 N ATOM 190 CA GLY A 16 5.067 -10.531 -5.167 1.00 0.00 C ATOM 191 C GLY A 16 4.073 -11.475 -4.487 1.00 0.00 C ATOM 192 O GLY A 16 3.640 -12.461 -5.082 1.00 0.00 O ATOM 0 H GLY A 16 5.702 -9.619 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.535 -9.676 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.550 -11.043 -5.999 1.00 0.00 H new ATOM 196 N THR A 17 3.741 -11.140 -3.248 1.00 0.00 N ATOM 197 CA THR A 17 2.807 -11.946 -2.482 1.00 0.00 C ATOM 198 C THR A 17 1.371 -11.471 -2.720 1.00 0.00 C ATOM 199 O THR A 17 0.986 -10.397 -2.264 1.00 0.00 O ATOM 200 CB THR A 17 3.228 -11.888 -1.011 1.00 0.00 C ATOM 201 OG1 THR A 17 4.529 -12.466 -1.001 1.00 0.00 O ATOM 202 CG2 THR A 17 2.399 -12.821 -0.127 1.00 0.00 C ATOM 0 H THR A 17 4.102 -10.322 -2.757 1.00 0.00 H new ATOM 0 HA THR A 17 2.830 -12.988 -2.802 1.00 0.00 H new ATOM 0 HB THR A 17 3.134 -10.865 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.097 -12.003 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.739 -12.741 0.906 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.348 -12.539 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.519 -13.849 -0.470 1.00 0.00 H new ATOM 210 N VAL A 18 0.622 -12.295 -3.436 1.00 0.00 N ATOM 211 CA VAL A 18 -0.762 -11.975 -3.741 1.00 0.00 C ATOM 212 C VAL A 18 -1.612 -12.155 -2.483 1.00 0.00 C ATOM 213 O VAL A 18 -1.644 -13.238 -1.899 1.00 0.00 O ATOM 214 CB VAL A 18 -1.249 -12.822 -4.920 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.447 -12.167 -5.608 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.117 -13.079 -5.915 1.00 0.00 C ATOM 0 H VAL A 18 0.947 -13.185 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.854 -10.933 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.575 -13.786 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.773 -12.789 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.263 -12.061 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.160 -11.183 -5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.490 -13.683 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.254 -12.128 -6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.693 -13.610 -5.415 1.00 0.00 H new ATOM 226 N VAL A 19 -2.285 -11.078 -2.101 1.00 0.00 N ATOM 227 CA VAL A 19 -3.134 -11.105 -0.923 1.00 0.00 C ATOM 228 C VAL A 19 -4.412 -10.312 -1.203 1.00 0.00 C ATOM 229 O VAL A 19 -4.448 -9.488 -2.117 1.00 0.00 O ATOM 230 CB VAL A 19 -2.361 -10.584 0.290 1.00 0.00 C ATOM 231 CG1 VAL A 19 -1.156 -11.477 0.597 1.00 0.00 C ATOM 232 CG2 VAL A 19 -1.930 -9.131 0.083 1.00 0.00 C ATOM 0 H VAL A 19 -2.259 -10.182 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.431 -12.127 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.028 -10.615 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.624 -11.085 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.498 -12.490 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.487 -11.493 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.383 -8.785 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.288 -9.063 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.812 -8.507 -0.063 1.00 0.00 H new ATOM 242 N LYS A 20 -5.429 -10.586 -0.399 1.00 0.00 N ATOM 243 CA LYS A 20 -6.705 -9.908 -0.549 1.00 0.00 C ATOM 244 C LYS A 20 -6.765 -8.722 0.417 1.00 0.00 C ATOM 245 O LYS A 20 -6.580 -8.888 1.621 1.00 0.00 O ATOM 246 CB LYS A 20 -7.859 -10.897 -0.380 1.00 0.00 C ATOM 247 CG LYS A 20 -8.101 -11.683 -1.671 1.00 0.00 C ATOM 248 CD LYS A 20 -8.462 -13.140 -1.366 1.00 0.00 C ATOM 249 CE LYS A 20 -9.970 -13.298 -1.159 1.00 0.00 C ATOM 250 NZ LYS A 20 -10.298 -13.294 0.284 1.00 0.00 N ATOM 0 H LYS A 20 -5.395 -11.268 0.358 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.806 -9.504 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.635 -11.587 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.766 -10.360 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.905 -11.217 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.208 -11.649 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.135 -13.779 -2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.932 -13.471 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.499 -12.487 -1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.310 -14.229 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.325 -13.402 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.808 -14.082 0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.992 -12.395 0.707 1.00 0.00 H new ATOM 264 N VAL A 21 -7.021 -7.551 -0.151 1.00 0.00 N ATOM 265 CA VAL A 21 -7.107 -6.339 0.647 1.00 0.00 C ATOM 266 C VAL A 21 -8.578 -6.017 0.918 1.00 0.00 C ATOM 267 O VAL A 21 -9.266 -5.466 0.060 1.00 0.00 O ATOM 268 CB VAL A 21 -6.365 -5.200 -0.055 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.394 -3.925 0.790 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.928 -5.605 -0.388 1.00 0.00 C ATOM 0 H VAL A 21 -7.171 -7.417 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.622 -6.480 1.613 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.880 -4.992 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.860 -3.131 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.428 -3.620 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.915 -4.114 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.423 -4.778 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.398 -5.853 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.938 -6.473 -1.047 1.00 0.00 H new ATOM 280 N ALA A 22 -9.016 -6.373 2.117 1.00 0.00 N ATOM 281 CA ALA A 22 -10.391 -6.128 2.515 1.00 0.00 C ATOM 282 C ALA A 22 -10.494 -4.746 3.158 1.00 0.00 C ATOM 283 O ALA A 22 -9.875 -4.489 4.191 1.00 0.00 O ATOM 284 CB ALA A 22 -10.859 -7.244 3.453 1.00 0.00 C ATOM 0 H ALA A 22 -8.442 -6.829 2.826 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.048 -6.136 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.891 -7.060 3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.796 -8.203 2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.224 -7.265 4.338 1.00 0.00 H new ATOM 290 N GLY A 23 -11.280 -3.887 2.523 1.00 0.00 N ATOM 291 CA GLY A 23 -11.471 -2.535 3.022 1.00 0.00 C ATOM 292 C GLY A 23 -12.897 -2.339 3.540 1.00 0.00 C ATOM 293 O GLY A 23 -13.858 -2.761 2.899 1.00 0.00 O ATOM 0 H GLY A 23 -11.792 -4.102 1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.759 -2.335 3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.267 -1.818 2.227 1.00 0.00 H new ATOM 297 N ALA A 24 -12.989 -1.697 4.696 1.00 0.00 N ATOM 298 CA ALA A 24 -14.282 -1.439 5.309 1.00 0.00 C ATOM 299 C ALA A 24 -14.293 -0.024 5.888 1.00 0.00 C ATOM 300 O ALA A 24 -13.458 0.316 6.725 1.00 0.00 O ATOM 301 CB ALA A 24 -14.567 -2.506 6.366 1.00 0.00 C ATOM 0 H ALA A 24 -12.189 -1.348 5.224 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.078 -1.496 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.536 -2.313 6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.578 -3.490 5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.791 -2.477 7.131 1.00 0.00 H new ATOM 307 N GLY A 25 -15.249 0.766 5.420 1.00 0.00 N ATOM 308 CA GLY A 25 -15.380 2.137 5.882 1.00 0.00 C ATOM 309 C GLY A 25 -14.152 2.967 5.496 1.00 0.00 C ATOM 310 O GLY A 25 -13.875 3.996 6.109 1.00 0.00 O ATOM 0 H GLY A 25 -15.940 0.482 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.276 2.585 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.506 2.149 6.965 1.00 0.00 H new ATOM 314 N LEU A 26 -13.451 2.484 4.480 1.00 0.00 N ATOM 315 CA LEU A 26 -12.259 3.169 4.004 1.00 0.00 C ATOM 316 C LEU A 26 -12.664 4.244 2.995 1.00 0.00 C ATOM 317 O LEU A 26 -13.060 5.344 3.378 1.00 0.00 O ATOM 318 CB LEU A 26 -11.246 2.161 3.456 1.00 0.00 C ATOM 319 CG LEU A 26 -9.895 2.736 3.025 1.00 0.00 C ATOM 320 CD1 LEU A 26 -9.189 3.418 4.198 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.023 1.658 2.378 1.00 0.00 C ATOM 0 H LEU A 26 -13.684 1.629 3.974 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.756 3.677 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.069 1.402 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.693 1.655 2.600 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.074 3.501 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.232 3.818 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.810 4.231 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.021 2.692 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.068 2.092 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.849 0.854 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.530 1.259 1.499 1.00 0.00 H new ATOM 333 N GLN A 27 -12.548 3.890 1.722 1.00 0.00 N ATOM 334 CA GLN A 27 -12.897 4.813 0.654 1.00 0.00 C ATOM 335 C GLN A 27 -14.258 5.455 0.932 1.00 0.00 C ATOM 336 O GLN A 27 -14.570 6.515 0.388 1.00 0.00 O ATOM 337 CB GLN A 27 -12.889 4.108 -0.702 1.00 0.00 C ATOM 338 CG GLN A 27 -11.526 4.246 -1.385 1.00 0.00 C ATOM 339 CD GLN A 27 -10.390 4.090 -0.374 1.00 0.00 C ATOM 340 OE1 GLN A 27 -9.941 2.998 -0.068 1.00 0.00 O ATOM 341 NE2 GLN A 27 -9.948 5.242 0.125 1.00 0.00 N ATOM 0 H GLN A 27 -12.218 2.978 1.407 1.00 0.00 H new ATOM 0 HA GLN A 27 -12.146 5.602 0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.127 3.053 -0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.664 4.532 -1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.429 3.492 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.455 5.219 -1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.368 6.122 -0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.189 5.245 0.806 1.00 0.00 H new ATOM 350 N ALA A 28 -15.031 4.788 1.775 1.00 0.00 N ATOM 351 CA ALA A 28 -16.351 5.281 2.131 1.00 0.00 C ATOM 352 C ALA A 28 -17.292 5.109 0.936 1.00 0.00 C ATOM 353 O ALA A 28 -18.446 5.535 0.984 1.00 0.00 O ATOM 354 CB ALA A 28 -16.247 6.738 2.585 1.00 0.00 C ATOM 0 H ALA A 28 -14.769 3.910 2.222 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.763 4.710 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.237 7.107 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -15.590 6.803 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.840 7.343 1.775 1.00 0.00 H new ATOM 360 N GLY A 29 -16.767 4.483 -0.105 1.00 0.00 N ATOM 361 CA GLY A 29 -17.546 4.247 -1.309 1.00 0.00 C ATOM 362 C GLY A 29 -16.979 5.036 -2.491 1.00 0.00 C ATOM 363 O GLY A 29 -17.545 5.018 -3.583 1.00 0.00 O ATOM 0 H GLY A 29 -15.810 4.131 -0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.546 3.183 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.583 4.536 -1.138 1.00 0.00 H new ATOM 367 N THR A 30 -15.870 5.712 -2.233 1.00 0.00 N ATOM 368 CA THR A 30 -15.221 6.506 -3.262 1.00 0.00 C ATOM 369 C THR A 30 -14.270 5.636 -4.087 1.00 0.00 C ATOM 370 O THR A 30 -14.382 4.410 -4.081 1.00 0.00 O ATOM 371 CB THR A 30 -14.526 7.686 -2.581 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.287 7.901 -1.396 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.685 8.991 -3.365 1.00 0.00 C ATOM 0 H THR A 30 -15.404 5.726 -1.326 1.00 0.00 H new ATOM 0 HA THR A 30 -15.947 6.903 -3.971 1.00 0.00 H new ATOM 0 HB THR A 30 -13.466 7.461 -2.459 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.779 7.585 -0.619 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.173 9.797 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.251 8.874 -4.358 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.744 9.233 -3.458 1.00 0.00 H new ATOM 381 N ALA A 31 -13.356 6.303 -4.777 1.00 0.00 N ATOM 382 CA ALA A 31 -12.389 5.604 -5.604 1.00 0.00 C ATOM 383 C ALA A 31 -10.982 6.119 -5.281 1.00 0.00 C ATOM 384 O ALA A 31 -10.676 7.288 -5.516 1.00 0.00 O ATOM 385 CB ALA A 31 -12.749 5.788 -7.080 1.00 0.00 C ATOM 0 H ALA A 31 -13.265 7.319 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.408 4.535 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.022 5.263 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.744 5.383 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.737 6.849 -7.328 1.00 0.00 H new ATOM 391 N TYR A 32 -10.167 5.222 -4.745 1.00 0.00 N ATOM 392 CA TYR A 32 -8.803 5.572 -4.388 1.00 0.00 C ATOM 393 C TYR A 32 -7.802 4.653 -5.087 1.00 0.00 C ATOM 394 O TYR A 32 -8.169 3.591 -5.591 1.00 0.00 O ATOM 395 CB TYR A 32 -8.698 5.365 -2.877 1.00 0.00 C ATOM 396 CG TYR A 32 -9.122 6.582 -2.051 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.335 7.192 -2.293 1.00 0.00 C ATOM 398 CD2 TYR A 32 -8.287 7.072 -1.066 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.734 8.337 -1.515 1.00 0.00 C ATOM 400 CE2 TYR A 32 -8.686 8.219 -0.288 1.00 0.00 C ATOM 401 CZ TYR A 32 -9.890 8.794 -0.553 1.00 0.00 C ATOM 402 OH TYR A 32 -10.267 9.875 0.181 1.00 0.00 O ATOM 0 H TYR A 32 -10.425 4.255 -4.550 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.578 6.596 -4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.316 4.513 -2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.668 5.109 -2.626 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.986 6.811 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.336 6.596 -0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.683 8.821 -1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.044 8.612 0.487 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.964 10.694 -0.264 1.00 0.00 H new ATOM 412 N ASP A 33 -6.550 5.089 -5.096 1.00 0.00 N ATOM 413 CA ASP A 33 -5.491 4.318 -5.725 1.00 0.00 C ATOM 414 C ASP A 33 -4.870 3.376 -4.692 1.00 0.00 C ATOM 415 O ASP A 33 -4.319 3.826 -3.688 1.00 0.00 O ATOM 416 CB ASP A 33 -4.385 5.231 -6.257 1.00 0.00 C ATOM 417 CG ASP A 33 -3.635 4.697 -7.478 1.00 0.00 C ATOM 418 OD1 ASP A 33 -4.293 4.565 -8.534 1.00 0.00 O ATOM 419 OD2 ASP A 33 -2.424 4.430 -7.330 1.00 0.00 O ATOM 0 H ASP A 33 -6.245 5.968 -4.677 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.927 3.760 -6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.823 6.196 -6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.666 5.409 -5.457 1.00 0.00 H new ATOM 425 N VAL A 34 -4.978 2.087 -4.974 1.00 0.00 N ATOM 426 CA VAL A 34 -4.434 1.075 -4.082 1.00 0.00 C ATOM 427 C VAL A 34 -2.929 0.942 -4.327 1.00 0.00 C ATOM 428 O VAL A 34 -2.489 0.869 -5.474 1.00 0.00 O ATOM 429 CB VAL A 34 -5.188 -0.241 -4.260 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.559 -1.352 -3.416 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.672 -0.075 -3.926 1.00 0.00 C ATOM 0 H VAL A 34 -5.435 1.718 -5.808 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.569 1.371 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.111 -0.530 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.115 -2.278 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.523 -1.499 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.590 -1.071 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.184 -1.028 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.778 0.250 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.113 0.671 -4.587 1.00 0.00 H new ATOM 441 N GLY A 35 -2.183 0.913 -3.234 1.00 0.00 N ATOM 442 CA GLY A 35 -0.738 0.789 -3.317 1.00 0.00 C ATOM 443 C GLY A 35 -0.099 0.874 -1.928 1.00 0.00 C ATOM 444 O GLY A 35 -0.665 1.476 -1.016 1.00 0.00 O ATOM 0 H GLY A 35 -2.552 0.973 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.477 -0.161 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.338 1.578 -3.954 1.00 0.00 H new ATOM 448 N GLN A 36 1.070 0.261 -1.812 1.00 0.00 N ATOM 449 CA GLN A 36 1.791 0.260 -0.550 1.00 0.00 C ATOM 450 C GLN A 36 2.770 1.434 -0.497 1.00 0.00 C ATOM 451 O GLN A 36 3.858 1.366 -1.067 1.00 0.00 O ATOM 452 CB GLN A 36 2.515 -1.070 -0.335 1.00 0.00 C ATOM 453 CG GLN A 36 3.696 -1.212 -1.299 1.00 0.00 C ATOM 454 CD GLN A 36 3.727 -2.609 -1.924 1.00 0.00 C ATOM 455 OE1 GLN A 36 4.107 -2.624 -3.198 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 3.426 -3.609 -1.290 1.00 0.00 N flip ATOM 0 H GLN A 36 1.535 -0.238 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 36 1.070 0.378 0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.870 -1.133 0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.819 -1.896 -0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.622 -0.460 -2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.629 -1.027 -0.767 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.143 -3.528 -0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.458 -4.525 -1.737 1.00 0.00 H new ATOM 465 N CYS A 37 2.350 2.482 0.193 1.00 0.00 N ATOM 466 CA CYS A 37 3.175 3.671 0.329 1.00 0.00 C ATOM 467 C CYS A 37 3.742 3.702 1.749 1.00 0.00 C ATOM 468 O CYS A 37 3.144 3.148 2.672 1.00 0.00 O ATOM 469 CB CYS A 37 2.395 4.943 -0.003 1.00 0.00 C ATOM 470 SG CYS A 37 3.420 6.341 -0.591 1.00 0.00 S ATOM 0 H CYS A 37 1.447 2.534 0.665 1.00 0.00 H new ATOM 0 HA CYS A 37 3.995 3.631 -0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.653 4.709 -0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.849 5.260 0.886 1.00 0.00 H new ATOM 475 N ALA A 38 4.886 4.355 1.882 1.00 0.00 N ATOM 476 CA ALA A 38 5.541 4.467 3.175 1.00 0.00 C ATOM 477 C ALA A 38 6.854 5.234 3.012 1.00 0.00 C ATOM 478 O ALA A 38 7.295 5.488 1.892 1.00 0.00 O ATOM 479 CB ALA A 38 5.750 3.071 3.763 1.00 0.00 C ATOM 0 H ALA A 38 5.378 4.813 1.115 1.00 0.00 H new ATOM 0 HA ALA A 38 4.918 5.025 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.241 3.154 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.785 2.580 3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.373 2.482 3.090 1.00 0.00 H new ATOM 485 N TRP A 39 7.444 5.582 4.147 1.00 0.00 N ATOM 486 CA TRP A 39 8.698 6.316 4.145 1.00 0.00 C ATOM 487 C TRP A 39 9.822 5.327 3.832 1.00 0.00 C ATOM 488 O TRP A 39 10.090 4.417 4.616 1.00 0.00 O ATOM 489 CB TRP A 39 8.903 7.053 5.469 1.00 0.00 C ATOM 490 CG TRP A 39 8.936 6.137 6.695 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.903 5.554 7.316 1.00 0.00 C ATOM 492 CD2 TRP A 39 10.109 5.721 7.425 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.322 4.795 8.390 1.00 0.00 N ATOM 494 CE2 TRP A 39 9.707 4.900 8.458 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.465 6.029 7.220 1.00 0.00 C ATOM 496 CZ2 TRP A 39 10.597 4.318 9.367 1.00 0.00 C ATOM 497 CZ3 TRP A 39 12.345 5.440 8.136 1.00 0.00 C ATOM 498 CH2 TRP A 39 11.955 4.609 9.182 1.00 0.00 C ATOM 0 H TRP A 39 7.076 5.369 5.074 1.00 0.00 H new ATOM 0 HA TRP A 39 8.691 7.091 3.378 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.838 7.612 5.421 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.102 7.782 5.595 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.872 5.664 7.015 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.726 4.256 9.018 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.802 6.670 6.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.256 3.679 10.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.399 5.645 8.023 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.695 4.191 9.848 1.00 0.00 H new ATOM 509 N VAL A 40 10.450 5.537 2.683 1.00 0.00 N ATOM 510 CA VAL A 40 11.541 4.677 2.256 1.00 0.00 C ATOM 511 C VAL A 40 12.873 5.307 2.665 1.00 0.00 C ATOM 512 O VAL A 40 13.717 4.647 3.268 1.00 0.00 O ATOM 513 CB VAL A 40 11.438 4.413 0.753 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.832 5.655 -0.049 1.00 0.00 C ATOM 515 CG2 VAL A 40 12.289 3.207 0.349 1.00 0.00 C ATOM 0 H VAL A 40 10.223 6.291 2.035 1.00 0.00 H new ATOM 0 HA VAL A 40 11.479 3.706 2.748 1.00 0.00 H new ATOM 0 HB VAL A 40 10.398 4.181 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.750 5.441 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.167 6.480 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.860 5.930 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.198 3.041 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.333 3.398 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.943 2.322 0.884 1.00 0.00 H new ATOM 525 N ASP A 41 13.019 6.579 2.322 1.00 0.00 N ATOM 526 CA ASP A 41 14.235 7.305 2.645 1.00 0.00 C ATOM 527 C ASP A 41 14.165 7.787 4.095 1.00 0.00 C ATOM 528 O ASP A 41 13.410 7.241 4.901 1.00 0.00 O ATOM 529 CB ASP A 41 14.397 8.532 1.747 1.00 0.00 C ATOM 530 CG ASP A 41 15.795 8.717 1.150 1.00 0.00 C ATOM 531 OD1 ASP A 41 16.746 8.175 1.756 1.00 0.00 O ATOM 532 OD2 ASP A 41 15.882 9.395 0.103 1.00 0.00 O ATOM 0 H ASP A 41 12.316 7.125 1.824 1.00 0.00 H new ATOM 0 HA ASP A 41 15.080 6.633 2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.676 8.465 0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.144 9.422 2.324 1.00 0.00 H new ATOM 538 N THR A 42 14.962 8.805 4.387 1.00 0.00 N ATOM 539 CA THR A 42 15.001 9.367 5.726 1.00 0.00 C ATOM 540 C THR A 42 13.873 10.381 5.912 1.00 0.00 C ATOM 541 O THR A 42 14.079 11.581 5.738 1.00 0.00 O ATOM 542 CB THR A 42 16.395 9.955 5.952 1.00 0.00 C ATOM 543 OG1 THR A 42 17.187 8.836 6.340 1.00 0.00 O ATOM 544 CG2 THR A 42 16.447 10.886 7.165 1.00 0.00 C ATOM 0 H THR A 42 15.586 9.255 3.718 1.00 0.00 H new ATOM 0 HA THR A 42 14.831 8.601 6.482 1.00 0.00 H new ATOM 0 HB THR A 42 16.707 10.500 5.061 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.108 9.128 6.505 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.458 11.276 7.281 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.753 11.714 7.018 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.167 10.332 8.061 1.00 0.00 H new ATOM 552 N GLY A 43 12.703 9.863 6.262 1.00 0.00 N ATOM 553 CA GLY A 43 11.543 10.711 6.472 1.00 0.00 C ATOM 554 C GLY A 43 10.922 11.133 5.138 1.00 0.00 C ATOM 555 O GLY A 43 10.168 12.102 5.079 1.00 0.00 O ATOM 0 H GLY A 43 12.535 8.867 6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.803 10.179 7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.833 11.596 7.038 1.00 0.00 H new ATOM 559 N VAL A 44 11.264 10.383 4.102 1.00 0.00 N ATOM 560 CA VAL A 44 10.750 10.666 2.770 1.00 0.00 C ATOM 561 C VAL A 44 9.668 9.643 2.420 1.00 0.00 C ATOM 562 O VAL A 44 9.956 8.457 2.267 1.00 0.00 O ATOM 563 CB VAL A 44 11.898 10.693 1.761 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.420 11.206 0.401 1.00 0.00 C ATOM 565 CG2 VAL A 44 13.067 11.531 2.282 1.00 0.00 C ATOM 0 H VAL A 44 11.890 9.580 4.156 1.00 0.00 H new ATOM 0 HA VAL A 44 10.287 11.652 2.739 1.00 0.00 H new ATOM 0 HB VAL A 44 12.252 9.670 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.256 11.215 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.636 10.552 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.028 12.217 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.870 11.533 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.732 12.553 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.433 11.104 3.216 1.00 0.00 H new ATOM 575 N LEU A 45 8.446 10.140 2.302 1.00 0.00 N ATOM 576 CA LEU A 45 7.320 9.283 1.970 1.00 0.00 C ATOM 577 C LEU A 45 7.418 8.864 0.502 1.00 0.00 C ATOM 578 O LEU A 45 7.180 9.671 -0.396 1.00 0.00 O ATOM 579 CB LEU A 45 6.000 9.972 2.325 1.00 0.00 C ATOM 580 CG LEU A 45 4.794 9.052 2.519 1.00 0.00 C ATOM 581 CD1 LEU A 45 5.210 7.581 2.457 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.052 9.385 3.815 1.00 0.00 C ATOM 0 H LEU A 45 8.211 11.124 2.430 1.00 0.00 H new ATOM 0 HA LEU A 45 7.348 8.370 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.147 10.544 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.763 10.687 1.537 1.00 0.00 H new ATOM 0 HG LEU A 45 4.098 9.224 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.333 6.949 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.657 7.370 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.936 7.375 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.199 8.716 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.726 9.260 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.702 10.417 3.779 1.00 0.00 H new ATOM 594 N ALA A 46 7.768 7.602 0.302 1.00 0.00 N ATOM 595 CA ALA A 46 7.901 7.065 -1.042 1.00 0.00 C ATOM 596 C ALA A 46 6.890 5.935 -1.236 1.00 0.00 C ATOM 597 O ALA A 46 6.601 5.188 -0.303 1.00 0.00 O ATOM 598 CB ALA A 46 9.343 6.605 -1.267 1.00 0.00 C ATOM 0 H ALA A 46 7.964 6.935 1.049 1.00 0.00 H new ATOM 0 HA ALA A 46 7.684 7.831 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.443 6.202 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.018 7.452 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.596 5.833 -0.541 1.00 0.00 H new ATOM 604 N CYS A 47 6.380 5.844 -2.456 1.00 0.00 N ATOM 605 CA CYS A 47 5.407 4.817 -2.787 1.00 0.00 C ATOM 606 C CYS A 47 6.089 3.780 -3.680 1.00 0.00 C ATOM 607 O CYS A 47 7.071 4.085 -4.354 1.00 0.00 O ATOM 608 CB CYS A 47 4.159 5.409 -3.446 1.00 0.00 C ATOM 609 SG CYS A 47 3.394 6.796 -2.531 1.00 0.00 S ATOM 0 H CYS A 47 6.623 6.465 -3.228 1.00 0.00 H new ATOM 0 HA CYS A 47 5.058 4.335 -1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.422 5.753 -4.446 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.418 4.618 -3.565 1.00 0.00 H new ATOM 614 N ASN A 48 5.540 2.572 -3.659 1.00 0.00 N ATOM 615 CA ASN A 48 6.081 1.490 -4.460 1.00 0.00 C ATOM 616 C ASN A 48 5.614 1.649 -5.909 1.00 0.00 C ATOM 617 O ASN A 48 4.670 2.388 -6.183 1.00 0.00 O ATOM 618 CB ASN A 48 5.593 0.131 -3.952 1.00 0.00 C ATOM 619 CG ASN A 48 6.348 -0.285 -2.689 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.813 0.736 -1.974 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 6.498 -1.457 -2.383 1.00 0.00 N flip ATOM 0 H ASN A 48 4.726 2.321 -3.099 1.00 0.00 H new ATOM 0 HA ASN A 48 7.168 1.532 -4.392 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.525 0.180 -3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.731 -0.622 -4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.115 -2.192 -2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.006 -1.701 -1.533 1.00 0.00 H new ATOM 628 N PRO A 49 6.315 0.924 -6.821 1.00 0.00 N ATOM 629 CA PRO A 49 5.981 0.978 -8.234 1.00 0.00 C ATOM 630 C PRO A 49 4.709 0.181 -8.528 1.00 0.00 C ATOM 631 O PRO A 49 4.093 0.352 -9.580 1.00 0.00 O ATOM 632 CB PRO A 49 7.205 0.426 -8.949 1.00 0.00 C ATOM 633 CG PRO A 49 7.988 -0.343 -7.898 1.00 0.00 C ATOM 634 CD PRO A 49 7.439 0.038 -6.533 1.00 0.00 C ATOM 0 HA PRO A 49 5.758 1.989 -8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.915 -0.225 -9.774 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.806 1.231 -9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.893 -1.416 -8.061 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.049 -0.104 -7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.117 -0.842 -5.976 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.194 0.540 -5.928 1.00 0.00 H new ATOM 642 N ALA A 50 4.351 -0.673 -7.581 1.00 0.00 N ATOM 643 CA ALA A 50 3.162 -1.497 -7.724 1.00 0.00 C ATOM 644 C ALA A 50 2.058 -0.951 -6.818 1.00 0.00 C ATOM 645 O ALA A 50 1.082 -1.645 -6.538 1.00 0.00 O ATOM 646 CB ALA A 50 3.511 -2.953 -7.409 1.00 0.00 C ATOM 0 H ALA A 50 4.864 -0.813 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 50 2.792 -1.465 -8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.620 -3.572 -7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.279 -3.301 -8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.882 -3.025 -6.387 1.00 0.00 H new ATOM 652 N ASP A 51 2.247 0.286 -6.387 1.00 0.00 N ATOM 653 CA ASP A 51 1.278 0.933 -5.518 1.00 0.00 C ATOM 654 C ASP A 51 0.212 1.621 -6.374 1.00 0.00 C ATOM 655 O ASP A 51 -0.589 2.403 -5.864 1.00 0.00 O ATOM 656 CB ASP A 51 1.944 2.000 -4.645 1.00 0.00 C ATOM 657 CG ASP A 51 1.247 3.359 -4.641 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.582 3.654 -3.624 1.00 0.00 O ATOM 659 OD2 ASP A 51 1.390 4.076 -5.657 1.00 0.00 O ATOM 0 H ASP A 51 3.057 0.859 -6.623 1.00 0.00 H new ATOM 0 HA ASP A 51 0.837 0.169 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.993 1.631 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.971 2.136 -4.984 1.00 0.00 H new ATOM 665 N PHE A 52 0.237 1.304 -7.660 1.00 0.00 N ATOM 666 CA PHE A 52 -0.717 1.881 -8.591 1.00 0.00 C ATOM 667 C PHE A 52 -1.804 0.870 -8.960 1.00 0.00 C ATOM 668 O PHE A 52 -1.650 0.107 -9.912 1.00 0.00 O ATOM 669 CB PHE A 52 0.061 2.259 -9.853 1.00 0.00 C ATOM 670 CG PHE A 52 1.469 2.790 -9.580 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.674 3.690 -8.582 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.515 2.361 -10.334 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.983 4.183 -8.327 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.823 2.853 -10.081 1.00 0.00 C ATOM 675 CZ PHE A 52 4.029 3.754 -9.084 1.00 0.00 C ATOM 0 H PHE A 52 0.903 0.655 -8.079 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.202 2.746 -8.138 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.133 1.384 -10.499 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.501 3.015 -10.401 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.843 4.031 -7.983 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.352 1.645 -11.126 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.147 4.897 -7.533 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.654 2.511 -10.681 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.023 4.129 -8.893 1.00 0.00 H new ATOM 685 N SER A 53 -2.881 0.898 -8.186 1.00 0.00 N ATOM 686 CA SER A 53 -3.994 -0.008 -8.420 1.00 0.00 C ATOM 687 C SER A 53 -5.315 0.698 -8.111 1.00 0.00 C ATOM 688 O SER A 53 -5.886 0.510 -7.038 1.00 0.00 O ATOM 689 CB SER A 53 -3.858 -1.276 -7.575 1.00 0.00 C ATOM 690 OG SER A 53 -5.073 -2.018 -7.525 1.00 0.00 O ATOM 0 H SER A 53 -3.006 1.533 -7.398 1.00 0.00 H new ATOM 0 HA SER A 53 -3.983 -0.301 -9.470 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.067 -1.903 -7.987 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.556 -1.006 -6.563 1.00 0.00 H new ATOM 0 HG SER A 53 -5.745 -1.512 -7.021 1.00 0.00 H new ATOM 696 N SER A 54 -5.762 1.494 -9.071 1.00 0.00 N ATOM 697 CA SER A 54 -7.007 2.229 -8.913 1.00 0.00 C ATOM 698 C SER A 54 -8.141 1.265 -8.554 1.00 0.00 C ATOM 699 O SER A 54 -8.495 0.395 -9.345 1.00 0.00 O ATOM 700 CB SER A 54 -7.354 3.002 -10.187 1.00 0.00 C ATOM 701 OG SER A 54 -7.699 4.357 -9.911 1.00 0.00 O ATOM 0 H SER A 54 -5.286 1.647 -9.960 1.00 0.00 H new ATOM 0 HA SER A 54 -6.880 2.949 -8.105 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.505 2.976 -10.870 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.185 2.512 -10.694 1.00 0.00 H new ATOM 0 HG SER A 54 -7.912 4.818 -10.749 1.00 0.00 H new ATOM 707 N VAL A 55 -8.675 1.455 -7.355 1.00 0.00 N ATOM 708 CA VAL A 55 -9.763 0.616 -6.881 1.00 0.00 C ATOM 709 C VAL A 55 -10.826 1.492 -6.215 1.00 0.00 C ATOM 710 O VAL A 55 -10.556 2.636 -5.854 1.00 0.00 O ATOM 711 CB VAL A 55 -9.215 -0.470 -5.950 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.528 -0.145 -4.487 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.758 -1.846 -6.336 1.00 0.00 C ATOM 0 H VAL A 55 -8.375 2.176 -6.699 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.242 0.103 -7.715 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.131 -0.495 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.129 -0.931 -3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.071 0.808 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.608 -0.080 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.354 -2.599 -5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.846 -1.841 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.462 -2.080 -7.359 1.00 0.00 H new ATOM 723 N THR A 56 -12.013 0.921 -6.075 1.00 0.00 N ATOM 724 CA THR A 56 -13.119 1.637 -5.461 1.00 0.00 C ATOM 725 C THR A 56 -13.805 0.758 -4.411 1.00 0.00 C ATOM 726 O THR A 56 -13.791 -0.466 -4.519 1.00 0.00 O ATOM 727 CB THR A 56 -14.060 2.101 -6.575 1.00 0.00 C ATOM 728 OG1 THR A 56 -13.821 3.503 -6.669 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.533 1.998 -6.176 1.00 0.00 C ATOM 0 H THR A 56 -12.233 -0.028 -6.376 1.00 0.00 H new ATOM 0 HA THR A 56 -12.770 2.519 -4.924 1.00 0.00 H new ATOM 0 HB THR A 56 -13.885 1.506 -7.471 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.668 3.987 -6.569 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.158 2.339 -7.001 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.775 0.961 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.717 2.620 -5.300 1.00 0.00 H new ATOM 737 N ALA A 57 -14.389 1.419 -3.424 1.00 0.00 N ATOM 738 CA ALA A 57 -15.080 0.715 -2.357 1.00 0.00 C ATOM 739 C ALA A 57 -16.589 0.905 -2.520 1.00 0.00 C ATOM 740 O ALA A 57 -17.035 1.873 -3.134 1.00 0.00 O ATOM 741 CB ALA A 57 -14.572 1.214 -1.004 1.00 0.00 C ATOM 0 H ALA A 57 -14.398 2.435 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.876 -0.354 -2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.090 0.686 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.501 1.029 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.762 2.284 -0.916 1.00 0.00 H new ATOM 747 N ASP A 58 -17.335 -0.036 -1.959 1.00 0.00 N ATOM 748 CA ASP A 58 -18.786 0.015 -2.035 1.00 0.00 C ATOM 749 C ASP A 58 -19.294 1.194 -1.201 1.00 0.00 C ATOM 750 O ASP A 58 -18.604 1.661 -0.298 1.00 0.00 O ATOM 751 CB ASP A 58 -19.412 -1.266 -1.477 1.00 0.00 C ATOM 752 CG ASP A 58 -18.569 -2.530 -1.657 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.575 -2.444 -2.409 1.00 0.00 O ATOM 754 OD2 ASP A 58 -18.937 -3.550 -1.037 1.00 0.00 O ATOM 0 H ASP A 58 -16.962 -0.838 -1.450 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.066 0.126 -3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.605 -1.125 -0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.378 -1.420 -1.958 1.00 0.00 H new ATOM 760 N ALA A 59 -20.497 1.637 -1.534 1.00 0.00 N ATOM 761 CA ALA A 59 -21.106 2.750 -0.827 1.00 0.00 C ATOM 762 C ALA A 59 -20.816 2.618 0.669 1.00 0.00 C ATOM 763 O ALA A 59 -20.731 3.619 1.379 1.00 0.00 O ATOM 764 CB ALA A 59 -22.605 2.789 -1.130 1.00 0.00 C ATOM 0 H ALA A 59 -21.066 1.245 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.682 3.696 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.062 3.624 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.756 2.914 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.066 1.857 -0.805 1.00 0.00 H new ATOM 770 N ASN A 60 -20.674 1.375 1.104 1.00 0.00 N ATOM 771 CA ASN A 60 -20.395 1.100 2.503 1.00 0.00 C ATOM 772 C ASN A 60 -18.882 1.102 2.728 1.00 0.00 C ATOM 773 O ASN A 60 -18.367 0.314 3.520 1.00 0.00 O ATOM 774 CB ASN A 60 -20.931 -0.274 2.911 1.00 0.00 C ATOM 775 CG ASN A 60 -21.752 -0.183 4.199 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.336 0.840 4.523 1.00 0.00 O ATOM 777 ND2 ASN A 60 -21.764 -1.303 4.914 1.00 0.00 N ATOM 0 H ASN A 60 -20.747 0.547 0.513 1.00 0.00 H new ATOM 0 HA ASN A 60 -20.882 1.870 3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.549 -0.680 2.110 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.100 -0.965 3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.283 -1.343 5.791 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.254 -2.123 4.586 1.00 0.00 H new ATOM 784 N GLY A 61 -18.213 1.998 2.019 1.00 0.00 N ATOM 785 CA GLY A 61 -16.768 2.114 2.130 1.00 0.00 C ATOM 786 C GLY A 61 -16.111 0.732 2.209 1.00 0.00 C ATOM 787 O GLY A 61 -15.142 0.544 2.939 1.00 0.00 O ATOM 0 H GLY A 61 -18.644 2.651 1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.376 2.658 1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.513 2.693 3.018 1.00 0.00 H new ATOM 791 N SER A 62 -16.668 -0.195 1.444 1.00 0.00 N ATOM 792 CA SER A 62 -16.149 -1.553 1.417 1.00 0.00 C ATOM 793 C SER A 62 -15.265 -1.750 0.183 1.00 0.00 C ATOM 794 O SER A 62 -15.768 -1.968 -0.916 1.00 0.00 O ATOM 795 CB SER A 62 -17.287 -2.576 1.425 1.00 0.00 C ATOM 796 OG SER A 62 -18.500 -2.024 1.927 1.00 0.00 O ATOM 0 H SER A 62 -17.473 -0.033 0.839 1.00 0.00 H new ATOM 0 HA SER A 62 -15.549 -1.710 2.314 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.449 -2.945 0.412 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.999 -3.433 2.035 1.00 0.00 H new ATOM 0 HG SER A 62 -19.201 -2.709 1.914 1.00 0.00 H new ATOM 802 N ALA A 63 -13.963 -1.666 0.411 1.00 0.00 N ATOM 803 CA ALA A 63 -13.003 -1.832 -0.668 1.00 0.00 C ATOM 804 C ALA A 63 -12.333 -3.202 -0.542 1.00 0.00 C ATOM 805 O ALA A 63 -11.195 -3.300 -0.084 1.00 0.00 O ATOM 806 CB ALA A 63 -11.993 -0.683 -0.634 1.00 0.00 C ATOM 0 H ALA A 63 -13.550 -1.485 1.326 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.503 -1.797 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.273 -0.807 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.516 0.265 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.469 -0.687 0.322 1.00 0.00 H new ATOM 812 N SER A 64 -13.067 -4.224 -0.955 1.00 0.00 N ATOM 813 CA SER A 64 -12.558 -5.583 -0.896 1.00 0.00 C ATOM 814 C SER A 64 -11.826 -5.927 -2.194 1.00 0.00 C ATOM 815 O SER A 64 -12.325 -6.703 -3.005 1.00 0.00 O ATOM 816 CB SER A 64 -13.688 -6.583 -0.642 1.00 0.00 C ATOM 817 OG SER A 64 -14.572 -6.142 0.383 1.00 0.00 O ATOM 0 H SER A 64 -14.011 -4.138 -1.332 1.00 0.00 H new ATOM 0 HA SER A 64 -11.856 -5.649 -0.064 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.250 -6.737 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.263 -7.547 -0.363 1.00 0.00 H new ATOM 0 HG SER A 64 -15.280 -6.807 0.513 1.00 0.00 H new ATOM 823 N THR A 65 -10.653 -5.330 -2.349 1.00 0.00 N ATOM 824 CA THR A 65 -9.847 -5.563 -3.536 1.00 0.00 C ATOM 825 C THR A 65 -8.602 -6.378 -3.182 1.00 0.00 C ATOM 826 O THR A 65 -8.170 -6.393 -2.031 1.00 0.00 O ATOM 827 CB THR A 65 -9.526 -4.206 -4.164 1.00 0.00 C ATOM 828 OG1 THR A 65 -9.204 -4.516 -5.517 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.240 -3.591 -3.607 1.00 0.00 C ATOM 0 H THR A 65 -10.242 -4.686 -1.673 1.00 0.00 H new ATOM 0 HA THR A 65 -10.389 -6.157 -4.272 1.00 0.00 H new ATOM 0 HB THR A 65 -10.358 -3.523 -3.994 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.018 -4.487 -6.062 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.059 -2.629 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.342 -3.447 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.402 -4.259 -3.806 1.00 0.00 H new ATOM 837 N SER A 66 -8.057 -7.038 -4.194 1.00 0.00 N ATOM 838 CA SER A 66 -6.871 -7.853 -4.005 1.00 0.00 C ATOM 839 C SER A 66 -5.717 -7.300 -4.846 1.00 0.00 C ATOM 840 O SER A 66 -5.934 -6.792 -5.945 1.00 0.00 O ATOM 841 CB SER A 66 -7.140 -9.312 -4.373 1.00 0.00 C ATOM 842 OG SER A 66 -7.059 -9.537 -5.776 1.00 0.00 O ATOM 0 H SER A 66 -8.417 -7.024 -5.148 1.00 0.00 H new ATOM 0 HA SER A 66 -6.597 -7.817 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.421 -9.952 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.130 -9.598 -4.018 1.00 0.00 H new ATOM 0 HG SER A 66 -7.236 -10.482 -5.967 1.00 0.00 H new ATOM 848 N LEU A 67 -4.517 -7.419 -4.295 1.00 0.00 N ATOM 849 CA LEU A 67 -3.329 -6.937 -4.980 1.00 0.00 C ATOM 850 C LEU A 67 -2.134 -7.816 -4.600 1.00 0.00 C ATOM 851 O LEU A 67 -2.256 -8.705 -3.757 1.00 0.00 O ATOM 852 CB LEU A 67 -3.114 -5.450 -4.698 1.00 0.00 C ATOM 853 CG LEU A 67 -3.044 -4.536 -5.923 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.771 -4.797 -6.730 1.00 0.00 C ATOM 855 CD2 LEU A 67 -4.304 -4.673 -6.781 1.00 0.00 C ATOM 0 H LEU A 67 -4.342 -7.842 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.453 -7.017 -6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.923 -5.102 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.189 -5.338 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.000 -3.503 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.746 -4.134 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.899 -4.609 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.760 -5.834 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.229 -4.013 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.403 -5.704 -7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.178 -4.399 -6.190 1.00 0.00 H new ATOM 867 N THR A 68 -1.009 -7.535 -5.237 1.00 0.00 N ATOM 868 CA THR A 68 0.206 -8.288 -4.976 1.00 0.00 C ATOM 869 C THR A 68 1.177 -7.459 -4.134 1.00 0.00 C ATOM 870 O THR A 68 1.459 -6.307 -4.461 1.00 0.00 O ATOM 871 CB THR A 68 0.790 -8.726 -6.322 1.00 0.00 C ATOM 872 OG1 THR A 68 -0.101 -9.742 -6.772 1.00 0.00 O ATOM 873 CG2 THR A 68 2.133 -9.446 -6.172 1.00 0.00 C ATOM 0 H THR A 68 -0.912 -6.796 -5.934 1.00 0.00 H new ATOM 0 HA THR A 68 -0.002 -9.183 -4.389 1.00 0.00 H new ATOM 0 HB THR A 68 0.916 -7.854 -6.964 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.202 -10.081 -7.640 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.503 -9.735 -7.156 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.852 -8.780 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.002 -10.337 -5.558 1.00 0.00 H new ATOM 881 N VAL A 69 1.663 -8.077 -3.068 1.00 0.00 N ATOM 882 CA VAL A 69 2.595 -7.410 -2.176 1.00 0.00 C ATOM 883 C VAL A 69 4.022 -7.620 -2.687 1.00 0.00 C ATOM 884 O VAL A 69 4.662 -8.617 -2.358 1.00 0.00 O ATOM 885 CB VAL A 69 2.396 -7.906 -0.742 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.203 -7.065 0.248 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.912 -7.921 -0.368 1.00 0.00 C ATOM 0 H VAL A 69 1.428 -9.033 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 69 2.407 -6.336 -2.163 1.00 0.00 H new ATOM 0 HB VAL A 69 2.766 -8.930 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.043 -7.440 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.263 -7.129 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.880 -6.026 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.798 -8.277 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.506 -6.912 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.373 -8.584 -1.045 1.00 0.00 H new ATOM 897 N ARG A 70 4.477 -6.664 -3.485 1.00 0.00 N ATOM 898 CA ARG A 70 5.815 -6.733 -4.044 1.00 0.00 C ATOM 899 C ARG A 70 6.828 -6.120 -3.076 1.00 0.00 C ATOM 900 O ARG A 70 7.320 -5.016 -3.301 1.00 0.00 O ATOM 901 CB ARG A 70 5.891 -5.993 -5.383 1.00 0.00 C ATOM 902 CG ARG A 70 5.129 -6.752 -6.470 1.00 0.00 C ATOM 903 CD ARG A 70 6.091 -7.363 -7.490 1.00 0.00 C ATOM 904 NE ARG A 70 5.511 -7.280 -8.849 1.00 0.00 N ATOM 905 CZ ARG A 70 5.988 -7.942 -9.912 1.00 0.00 C ATOM 906 NH1 ARG A 70 7.058 -8.739 -9.780 1.00 0.00 N ATOM 907 NH2 ARG A 70 5.397 -7.805 -11.107 1.00 0.00 N ATOM 0 H ARG A 70 3.943 -5.839 -3.757 1.00 0.00 H new ATOM 0 HA ARG A 70 6.052 -7.785 -4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.475 -4.991 -5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.933 -5.875 -5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.528 -7.539 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.439 -6.076 -6.975 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.046 -6.838 -7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.291 -8.404 -7.235 1.00 0.00 H new ATOM 0 HE ARG A 70 4.697 -6.681 -8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.509 -8.841 -8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.421 -9.243 -10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.584 -7.197 -11.207 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.760 -8.309 -11.916 1.00 0.00 H new ATOM 921 N ARG A 71 7.110 -6.864 -2.016 1.00 0.00 N ATOM 922 CA ARG A 71 8.056 -6.409 -1.010 1.00 0.00 C ATOM 923 C ARG A 71 9.248 -5.717 -1.677 1.00 0.00 C ATOM 924 O ARG A 71 9.745 -4.711 -1.176 1.00 0.00 O ATOM 925 CB ARG A 71 8.564 -7.577 -0.162 1.00 0.00 C ATOM 926 CG ARG A 71 9.707 -7.134 0.753 1.00 0.00 C ATOM 927 CD ARG A 71 10.963 -7.966 0.501 1.00 0.00 C ATOM 928 NE ARG A 71 10.650 -9.408 0.619 1.00 0.00 N ATOM 929 CZ ARG A 71 11.574 -10.370 0.741 1.00 0.00 C ATOM 930 NH1 ARG A 71 12.875 -10.052 0.759 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.198 -11.653 0.841 1.00 0.00 N ATOM 0 H ARG A 71 6.700 -7.779 -1.832 1.00 0.00 H new ATOM 0 HA ARG A 71 7.536 -5.703 -0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.747 -7.977 0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.906 -8.382 -0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.925 -6.079 0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.403 -7.234 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.357 -7.752 -0.492 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.738 -7.694 1.217 1.00 0.00 H new ATOM 0 HE ARG A 71 9.669 -9.687 0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.163 -9.077 0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.578 -10.785 0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.208 -11.897 0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.902 -12.385 0.934 1.00 0.00 H new ATOM 945 N SER A 72 9.667 -6.285 -2.798 1.00 0.00 N ATOM 946 CA SER A 72 10.792 -5.735 -3.540 1.00 0.00 C ATOM 947 C SER A 72 10.287 -4.992 -4.779 1.00 0.00 C ATOM 948 O SER A 72 9.445 -5.504 -5.514 1.00 0.00 O ATOM 949 CB SER A 72 11.777 -6.833 -3.942 1.00 0.00 C ATOM 950 OG SER A 72 12.989 -6.299 -4.463 1.00 0.00 O ATOM 0 H SER A 72 9.250 -7.119 -3.211 1.00 0.00 H new ATOM 0 HA SER A 72 11.319 -5.033 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.999 -7.456 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.315 -7.479 -4.689 1.00 0.00 H new ATOM 0 HG SER A 72 13.135 -5.402 -4.097 1.00 0.00 H new ATOM 956 N PHE A 73 10.825 -3.797 -4.972 1.00 0.00 N ATOM 957 CA PHE A 73 10.440 -2.979 -6.109 1.00 0.00 C ATOM 958 C PHE A 73 10.795 -1.509 -5.872 1.00 0.00 C ATOM 959 O PHE A 73 10.427 -0.935 -4.848 1.00 0.00 O ATOM 960 CB PHE A 73 8.923 -3.109 -6.261 1.00 0.00 C ATOM 961 CG PHE A 73 8.488 -3.942 -7.467 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.309 -4.910 -7.957 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.280 -3.714 -8.050 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.903 -5.685 -9.075 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.875 -4.490 -9.169 1.00 0.00 C ATOM 966 CZ PHE A 73 7.695 -5.458 -9.659 1.00 0.00 C ATOM 0 H PHE A 73 11.524 -3.376 -4.360 1.00 0.00 H new ATOM 0 HA PHE A 73 10.967 -3.312 -7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.515 -3.558 -5.356 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.490 -2.112 -6.346 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.269 -5.089 -7.496 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.630 -2.944 -7.662 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.553 -6.455 -9.462 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.915 -4.311 -9.631 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.388 -6.046 -10.511 1.00 0.00 H new ATOM 976 N GLU A 74 11.504 -0.942 -6.838 1.00 0.00 N ATOM 977 CA GLU A 74 11.911 0.450 -6.747 1.00 0.00 C ATOM 978 C GLU A 74 10.769 1.367 -7.187 1.00 0.00 C ATOM 979 O GLU A 74 10.464 1.460 -8.375 1.00 0.00 O ATOM 980 CB GLU A 74 13.171 0.708 -7.575 1.00 0.00 C ATOM 981 CG GLU A 74 13.734 2.102 -7.298 1.00 0.00 C ATOM 982 CD GLU A 74 14.975 2.374 -8.153 1.00 0.00 C ATOM 983 OE1 GLU A 74 16.043 2.606 -7.546 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.826 2.342 -9.393 1.00 0.00 O ATOM 0 H GLU A 74 11.806 -1.421 -7.686 1.00 0.00 H new ATOM 0 HA GLU A 74 12.148 0.671 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.924 -0.045 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.940 0.610 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.973 2.853 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.989 2.192 -6.242 1.00 0.00 H new ATOM 992 N GLY A 75 10.168 2.023 -6.205 1.00 0.00 N ATOM 993 CA GLY A 75 9.065 2.931 -6.477 1.00 0.00 C ATOM 994 C GLY A 75 9.565 4.366 -6.648 1.00 0.00 C ATOM 995 O GLY A 75 10.629 4.592 -7.223 1.00 0.00 O ATOM 0 H GLY A 75 10.423 1.944 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.543 2.614 -7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.344 2.888 -5.660 1.00 0.00 H new ATOM 999 N PHE A 76 8.775 5.299 -6.136 1.00 0.00 N ATOM 1000 CA PHE A 76 9.124 6.705 -6.226 1.00 0.00 C ATOM 1001 C PHE A 76 9.026 7.382 -4.858 1.00 0.00 C ATOM 1002 O PHE A 76 8.244 6.962 -4.007 1.00 0.00 O ATOM 1003 CB PHE A 76 8.118 7.356 -7.177 1.00 0.00 C ATOM 1004 CG PHE A 76 8.011 6.668 -8.538 1.00 0.00 C ATOM 1005 CD1 PHE A 76 7.420 5.447 -8.638 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.509 7.274 -9.650 1.00 0.00 C ATOM 1007 CE1 PHE A 76 7.320 4.806 -9.902 1.00 0.00 C ATOM 1008 CE2 PHE A 76 8.409 6.635 -10.912 1.00 0.00 C ATOM 1009 CZ PHE A 76 7.818 5.414 -11.012 1.00 0.00 C ATOM 0 H PHE A 76 7.895 5.108 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 76 10.148 6.812 -6.582 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.136 7.358 -6.704 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.400 8.398 -7.330 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.026 4.964 -7.756 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.981 8.242 -9.571 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.849 3.837 -9.981 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.802 7.118 -11.794 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.744 4.927 -11.973 1.00 0.00 H new ATOM 1019 N LEU A 77 9.833 8.421 -4.687 1.00 0.00 N ATOM 1020 CA LEU A 77 9.847 9.160 -3.437 1.00 0.00 C ATOM 1021 C LEU A 77 8.836 10.305 -3.514 1.00 0.00 C ATOM 1022 O LEU A 77 8.200 10.505 -4.548 1.00 0.00 O ATOM 1023 CB LEU A 77 11.269 9.616 -3.102 1.00 0.00 C ATOM 1024 CG LEU A 77 12.214 8.535 -2.571 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.552 8.565 -3.313 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.395 8.661 -1.057 1.00 0.00 C ATOM 0 H LEU A 77 10.481 8.767 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 77 9.539 8.519 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.711 10.048 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.208 10.413 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 77 11.762 7.562 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.205 7.787 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.383 8.390 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.022 9.539 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.071 7.881 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.815 9.639 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.429 8.553 -0.565 1.00 0.00 H new ATOM 1038 N PHE A 78 8.719 11.023 -2.409 1.00 0.00 N ATOM 1039 CA PHE A 78 7.795 12.143 -2.339 1.00 0.00 C ATOM 1040 C PHE A 78 8.197 13.248 -3.317 1.00 0.00 C ATOM 1041 O PHE A 78 7.348 14.003 -3.788 1.00 0.00 O ATOM 1042 CB PHE A 78 7.865 12.692 -0.911 1.00 0.00 C ATOM 1043 CG PHE A 78 6.906 13.855 -0.643 1.00 0.00 C ATOM 1044 CD1 PHE A 78 7.116 15.059 -1.237 1.00 0.00 C ATOM 1045 CD2 PHE A 78 5.844 13.683 0.188 1.00 0.00 C ATOM 1046 CE1 PHE A 78 6.226 16.139 -0.990 1.00 0.00 C ATOM 1047 CE2 PHE A 78 4.956 14.761 0.436 1.00 0.00 C ATOM 1048 CZ PHE A 78 5.166 15.967 -0.158 1.00 0.00 C ATOM 0 H PHE A 78 9.248 10.852 -1.554 1.00 0.00 H new ATOM 0 HA PHE A 78 6.790 11.812 -2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.646 11.885 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.884 13.021 -0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.960 15.195 -1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.676 12.726 0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.392 17.095 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.113 14.624 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.490 16.788 0.032 1.00 0.00 H new ATOM 1058 N ASP A 79 9.492 13.308 -3.591 1.00 0.00 N ATOM 1059 CA ASP A 79 10.016 14.309 -4.506 1.00 0.00 C ATOM 1060 C ASP A 79 9.639 13.931 -5.941 1.00 0.00 C ATOM 1061 O ASP A 79 8.940 14.680 -6.620 1.00 0.00 O ATOM 1062 CB ASP A 79 11.542 14.385 -4.424 1.00 0.00 C ATOM 1063 CG ASP A 79 12.112 15.793 -4.243 1.00 0.00 C ATOM 1064 OD1 ASP A 79 12.048 16.561 -5.226 1.00 0.00 O ATOM 1065 OD2 ASP A 79 12.597 16.068 -3.124 1.00 0.00 O ATOM 0 H ASP A 79 10.193 12.681 -3.196 1.00 0.00 H new ATOM 0 HA ASP A 79 9.591 15.274 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.877 13.764 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.961 13.954 -5.333 1.00 0.00 H new ATOM 1071 N GLY A 80 10.117 12.767 -6.357 1.00 0.00 N ATOM 1072 CA GLY A 80 9.839 12.282 -7.697 1.00 0.00 C ATOM 1073 C GLY A 80 10.785 11.139 -8.075 1.00 0.00 C ATOM 1074 O GLY A 80 10.440 10.284 -8.889 1.00 0.00 O ATOM 0 H GLY A 80 10.695 12.147 -5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.806 11.938 -7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.945 13.098 -8.412 1.00 0.00 H new ATOM 1078 N THR A 81 11.960 11.160 -7.462 1.00 0.00 N ATOM 1079 CA THR A 81 12.959 10.137 -7.723 1.00 0.00 C ATOM 1080 C THR A 81 12.303 8.755 -7.780 1.00 0.00 C ATOM 1081 O THR A 81 11.220 8.555 -7.230 1.00 0.00 O ATOM 1082 CB THR A 81 14.043 10.251 -6.650 1.00 0.00 C ATOM 1083 OG1 THR A 81 15.032 11.086 -7.243 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.769 8.925 -6.409 1.00 0.00 C ATOM 0 H THR A 81 12.242 11.869 -6.785 1.00 0.00 H new ATOM 0 HA THR A 81 13.428 10.280 -8.696 1.00 0.00 H new ATOM 0 HB THR A 81 13.596 10.595 -5.717 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.772 11.214 -6.614 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.528 9.061 -5.639 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.052 8.172 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.245 8.597 -7.333 1.00 0.00 H new ATOM 1092 N ARG A 82 12.986 7.839 -8.452 1.00 0.00 N ATOM 1093 CA ARG A 82 12.483 6.483 -8.587 1.00 0.00 C ATOM 1094 C ARG A 82 13.152 5.564 -7.563 1.00 0.00 C ATOM 1095 O ARG A 82 14.054 4.799 -7.903 1.00 0.00 O ATOM 1096 CB ARG A 82 12.742 5.938 -9.994 1.00 0.00 C ATOM 1097 CG ARG A 82 11.485 6.045 -10.862 1.00 0.00 C ATOM 1098 CD ARG A 82 11.594 5.145 -12.096 1.00 0.00 C ATOM 1099 NE ARG A 82 11.168 3.769 -11.758 1.00 0.00 N ATOM 1100 CZ ARG A 82 12.012 2.780 -11.432 1.00 0.00 C ATOM 1101 NH1 ARG A 82 13.332 3.012 -11.395 1.00 0.00 N ATOM 1102 NH2 ARG A 82 11.537 1.563 -11.139 1.00 0.00 N ATOM 0 H ARG A 82 13.882 8.010 -8.908 1.00 0.00 H new ATOM 0 HA ARG A 82 11.408 6.509 -8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.558 6.492 -10.458 1.00 0.00 H new ATOM 0 HB3 ARG A 82 13.059 4.897 -9.932 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.610 5.763 -10.277 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.340 7.080 -11.173 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.973 5.540 -12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.621 5.137 -12.461 1.00 0.00 H new ATOM 0 HE ARG A 82 10.170 3.560 -11.774 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.693 3.940 -11.615 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.975 2.260 -11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.532 1.388 -11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.180 0.811 -10.891 1.00 0.00 H new ATOM 1116 N TRP A 83 12.683 5.668 -6.328 1.00 0.00 N ATOM 1117 CA TRP A 83 13.225 4.855 -5.251 1.00 0.00 C ATOM 1118 C TRP A 83 12.136 3.876 -4.806 1.00 0.00 C ATOM 1119 O TRP A 83 12.107 2.729 -5.250 1.00 0.00 O ATOM 1120 CB TRP A 83 13.742 5.733 -4.110 1.00 0.00 C ATOM 1121 CG TRP A 83 14.406 4.950 -2.974 1.00 0.00 C ATOM 1122 CD1 TRP A 83 13.921 3.891 -2.310 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.702 5.207 -2.395 1.00 0.00 C ATOM 1124 NE1 TRP A 83 14.806 3.450 -1.348 1.00 0.00 N ATOM 1125 CE2 TRP A 83 15.924 4.275 -1.402 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.655 6.194 -2.700 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.093 4.241 -0.632 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.819 6.145 -1.923 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.057 5.214 -0.919 1.00 0.00 C ATOM 0 H TRP A 83 11.934 6.302 -6.049 1.00 0.00 H new ATOM 0 HA TRP A 83 14.088 4.284 -5.593 1.00 0.00 H new ATOM 0 HB2 TRP A 83 14.459 6.449 -4.512 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.911 6.309 -3.703 1.00 0.00 H new ATOM 0 HD1 TRP A 83 12.959 3.440 -2.504 1.00 0.00 H new ATOM 0 HE1 TRP A 83 14.666 2.663 -0.714 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.502 6.932 -3.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 17.243 3.503 0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.585 6.882 -2.117 1.00 0.00 H new ATOM 0 HH2 TRP A 83 18.982 5.241 -0.363 1.00 0.00 H new ATOM 1140 N GLY A 84 11.267 4.365 -3.934 1.00 0.00 N ATOM 1141 CA GLY A 84 10.178 3.547 -3.423 1.00 0.00 C ATOM 1142 C GLY A 84 10.710 2.251 -2.803 1.00 0.00 C ATOM 1143 O GLY A 84 11.515 1.551 -3.417 1.00 0.00 O ATOM 0 H GLY A 84 11.294 5.317 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.616 4.108 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.486 3.311 -4.231 1.00 0.00 H new ATOM 1147 N THR A 85 10.241 1.975 -1.597 1.00 0.00 N ATOM 1148 CA THR A 85 10.659 0.778 -0.886 1.00 0.00 C ATOM 1149 C THR A 85 11.919 0.191 -1.528 1.00 0.00 C ATOM 1150 O THR A 85 13.031 0.441 -1.062 1.00 0.00 O ATOM 1151 CB THR A 85 9.479 -0.196 -0.866 1.00 0.00 C ATOM 1152 OG1 THR A 85 8.677 0.254 0.221 1.00 0.00 O ATOM 1153 CG2 THR A 85 9.895 -1.613 -0.464 1.00 0.00 C ATOM 0 H THR A 85 9.575 2.560 -1.092 1.00 0.00 H new ATOM 0 HA THR A 85 10.931 1.004 0.145 1.00 0.00 H new ATOM 0 HB THR A 85 9.013 -0.222 -1.851 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.539 -0.483 0.853 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.020 -2.263 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.630 -1.992 -1.174 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.331 -1.595 0.535 1.00 0.00 H new ATOM 1161 N VAL A 86 11.705 -0.577 -2.585 1.00 0.00 N ATOM 1162 CA VAL A 86 12.808 -1.199 -3.295 1.00 0.00 C ATOM 1163 C VAL A 86 13.116 -2.557 -2.657 1.00 0.00 C ATOM 1164 O VAL A 86 13.390 -3.527 -3.358 1.00 0.00 O ATOM 1165 CB VAL A 86 14.017 -0.259 -3.313 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.071 -0.701 -2.295 1.00 0.00 C ATOM 1167 CG2 VAL A 86 14.615 -0.164 -4.717 1.00 0.00 C ATOM 0 H VAL A 86 10.782 -0.783 -2.967 1.00 0.00 H new ATOM 0 HA VAL A 86 12.539 -1.380 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 86 13.674 0.735 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.919 -0.017 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.637 -0.693 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.409 -1.709 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.472 0.509 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.936 -1.153 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.864 0.220 -5.407 1.00 0.00 H new ATOM 1177 N ASP A 87 13.064 -2.578 -1.333 1.00 0.00 N ATOM 1178 CA ASP A 87 13.335 -3.799 -0.593 1.00 0.00 C ATOM 1179 C ASP A 87 12.723 -3.688 0.804 1.00 0.00 C ATOM 1180 O ASP A 87 13.383 -3.238 1.741 1.00 0.00 O ATOM 1181 CB ASP A 87 14.841 -4.024 -0.434 1.00 0.00 C ATOM 1182 CG ASP A 87 15.255 -5.481 -0.222 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.675 -6.344 -0.916 1.00 0.00 O ATOM 1184 OD2 ASP A 87 16.144 -5.699 0.630 1.00 0.00 O ATOM 0 H ASP A 87 12.838 -1.769 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 87 12.903 -4.633 -1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.346 -3.643 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.195 -3.434 0.412 1.00 0.00 H new ATOM 1190 N CYS A 88 11.471 -4.105 0.904 1.00 0.00 N ATOM 1191 CA CYS A 88 10.763 -4.060 2.171 1.00 0.00 C ATOM 1192 C CYS A 88 11.387 -5.095 3.108 1.00 0.00 C ATOM 1193 O CYS A 88 10.719 -6.037 3.532 1.00 0.00 O ATOM 1194 CB CYS A 88 9.260 -4.286 1.989 1.00 0.00 C ATOM 1195 SG CYS A 88 8.191 -3.196 2.998 1.00 0.00 S ATOM 0 H CYS A 88 10.927 -4.477 0.126 1.00 0.00 H new ATOM 0 HA CYS A 88 10.863 -3.068 2.610 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.010 -4.144 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.031 -5.323 2.233 1.00 0.00 H new ATOM 1200 N THR A 89 12.661 -4.888 3.403 1.00 0.00 N ATOM 1201 CA THR A 89 13.383 -5.791 4.282 1.00 0.00 C ATOM 1202 C THR A 89 13.561 -5.162 5.663 1.00 0.00 C ATOM 1203 O THR A 89 13.952 -5.842 6.614 1.00 0.00 O ATOM 1204 CB THR A 89 14.706 -6.153 3.603 1.00 0.00 C ATOM 1205 OG1 THR A 89 15.241 -7.191 4.419 1.00 0.00 O ATOM 1206 CG2 THR A 89 15.743 -5.031 3.700 1.00 0.00 C ATOM 0 H THR A 89 13.213 -4.107 3.048 1.00 0.00 H new ATOM 0 HA THR A 89 12.824 -6.712 4.450 1.00 0.00 H new ATOM 0 HB THR A 89 14.523 -6.387 2.554 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.849 -7.137 5.316 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.662 -5.341 3.202 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.354 -4.134 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.952 -4.819 4.748 1.00 0.00 H new ATOM 1214 N THR A 90 13.269 -3.872 5.736 1.00 0.00 N ATOM 1215 CA THR A 90 13.390 -3.143 6.986 1.00 0.00 C ATOM 1216 C THR A 90 12.269 -2.111 7.113 1.00 0.00 C ATOM 1217 O THR A 90 11.653 -1.985 8.171 1.00 0.00 O ATOM 1218 CB THR A 90 14.792 -2.531 7.041 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.659 -3.656 7.143 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.039 -1.750 8.333 1.00 0.00 C ATOM 0 H THR A 90 12.948 -3.312 4.947 1.00 0.00 H new ATOM 0 HA THR A 90 13.275 -3.805 7.844 1.00 0.00 H new ATOM 0 HB THR A 90 14.934 -1.871 6.185 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.589 -3.350 7.182 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.048 -1.337 8.321 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.315 -0.939 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.930 -2.417 9.188 1.00 0.00 H new ATOM 1228 N ALA A 91 12.038 -1.397 6.021 1.00 0.00 N ATOM 1229 CA ALA A 91 11.003 -0.378 5.998 1.00 0.00 C ATOM 1230 C ALA A 91 9.631 -1.054 5.935 1.00 0.00 C ATOM 1231 O ALA A 91 9.449 -2.031 5.208 1.00 0.00 O ATOM 1232 CB ALA A 91 11.243 0.566 4.819 1.00 0.00 C ATOM 0 H ALA A 91 12.550 -1.504 5.146 1.00 0.00 H new ATOM 0 HA ALA A 91 11.034 0.222 6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.467 1.331 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.218 1.041 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.216 -0.000 3.888 1.00 0.00 H new ATOM 1238 N ALA A 92 8.702 -0.506 6.705 1.00 0.00 N ATOM 1239 CA ALA A 92 7.352 -1.044 6.746 1.00 0.00 C ATOM 1240 C ALA A 92 6.503 -0.360 5.675 1.00 0.00 C ATOM 1241 O ALA A 92 6.167 0.819 5.801 1.00 0.00 O ATOM 1242 CB ALA A 92 6.773 -0.864 8.151 1.00 0.00 C ATOM 0 H ALA A 92 8.857 0.304 7.305 1.00 0.00 H new ATOM 0 HA ALA A 92 7.358 -2.112 6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.761 -1.267 8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.396 -1.393 8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.749 0.197 8.401 1.00 0.00 H new ATOM 1248 N CYS A 93 6.180 -1.124 4.642 1.00 0.00 N ATOM 1249 CA CYS A 93 5.376 -0.605 3.549 1.00 0.00 C ATOM 1250 C CYS A 93 3.901 -0.701 3.948 1.00 0.00 C ATOM 1251 O CYS A 93 3.413 -1.781 4.279 1.00 0.00 O ATOM 1252 CB CYS A 93 5.660 -1.343 2.237 1.00 0.00 C ATOM 1253 SG CYS A 93 7.408 -1.827 1.994 1.00 0.00 S ATOM 0 H CYS A 93 6.461 -2.099 4.539 1.00 0.00 H new ATOM 0 HA CYS A 93 5.636 0.438 3.368 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.041 -2.239 2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.354 -0.708 1.405 1.00 0.00 H new ATOM 1258 N GLN A 94 3.235 0.442 3.906 1.00 0.00 N ATOM 1259 CA GLN A 94 1.827 0.502 4.259 1.00 0.00 C ATOM 1260 C GLN A 94 0.958 0.288 3.019 1.00 0.00 C ATOM 1261 O GLN A 94 0.921 1.136 2.129 1.00 0.00 O ATOM 1262 CB GLN A 94 1.490 1.828 4.943 1.00 0.00 C ATOM 1263 CG GLN A 94 2.148 1.918 6.322 1.00 0.00 C ATOM 1264 CD GLN A 94 2.324 3.376 6.750 1.00 0.00 C ATOM 1265 OE1 GLN A 94 1.764 3.832 7.734 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.130 4.079 5.961 1.00 0.00 N ATOM 0 H GLN A 94 3.644 1.335 3.633 1.00 0.00 H new ATOM 0 HA GLN A 94 1.616 -0.299 4.968 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.826 2.658 4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.409 1.924 5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.538 1.391 7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.118 1.422 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.567 3.635 5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.312 5.062 6.164 1.00 0.00 H new ATOM 1275 N VAL A 95 0.281 -0.850 2.999 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.586 -1.186 1.881 1.00 0.00 C ATOM 1277 C VAL A 95 -1.975 -0.595 2.123 1.00 0.00 C ATOM 1278 O VAL A 95 -2.693 -1.031 3.023 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.609 -2.701 1.676 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.166 -3.059 0.295 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.783 -3.304 1.878 1.00 0.00 C ATOM 0 H VAL A 95 0.315 -1.552 3.739 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.205 -0.751 0.957 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.272 -3.130 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.172 -4.142 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.183 -2.678 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.540 -2.611 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.738 -4.382 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.477 -2.865 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.127 -3.094 2.891 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.314 0.391 1.307 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.606 1.049 1.420 1.00 0.00 C ATOM 1293 C GLY A 96 -3.955 1.800 0.134 1.00 0.00 C ATOM 1294 O GLY A 96 -3.115 1.935 -0.758 1.00 0.00 O ATOM 0 H GLY A 96 -1.716 0.752 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.377 0.309 1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.591 1.745 2.259 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.192 2.269 0.075 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.660 3.004 -1.085 1.00 0.00 C ATOM 1300 C LEU A 97 -5.755 4.491 -0.739 1.00 0.00 C ATOM 1301 O LEU A 97 -6.527 4.881 0.136 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.971 2.408 -1.603 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.628 1.355 -0.709 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -8.975 0.910 -1.283 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -6.685 0.171 -0.476 1.00 0.00 C ATOM 0 H LEU A 97 -5.885 2.153 0.814 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.948 2.913 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.681 3.221 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.783 1.961 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.827 1.807 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.420 0.161 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.641 1.770 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.825 0.482 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.175 -0.564 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.435 -0.288 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.773 0.522 0.008 1.00 0.00 H new ATOM 1317 N SER A 98 -4.960 5.283 -1.445 1.00 0.00 N ATOM 1318 CA SER A 98 -4.945 6.718 -1.223 1.00 0.00 C ATOM 1319 C SER A 98 -5.691 7.431 -2.354 1.00 0.00 C ATOM 1320 O SER A 98 -5.683 6.969 -3.495 1.00 0.00 O ATOM 1321 CB SER A 98 -3.512 7.243 -1.119 1.00 0.00 C ATOM 1322 OG SER A 98 -2.989 7.625 -2.388 1.00 0.00 O ATOM 0 H SER A 98 -4.322 4.957 -2.171 1.00 0.00 H new ATOM 0 HA SER A 98 -5.449 6.924 -0.278 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.488 8.099 -0.445 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.875 6.474 -0.681 1.00 0.00 H new ATOM 0 HG SER A 98 -2.073 7.956 -2.278 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.316 8.544 -1.999 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.065 9.323 -2.969 1.00 0.00 C ATOM 1330 C ASP A 99 -6.247 9.454 -4.254 1.00 0.00 C ATOM 1331 O ASP A 99 -5.041 9.206 -4.253 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.349 10.732 -2.444 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.608 10.821 -0.938 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -6.776 10.273 -0.186 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -8.634 11.435 -0.575 1.00 0.00 O ATOM 0 H ASP A 99 -6.319 8.925 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.009 8.810 -3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.502 11.373 -2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.215 11.132 -2.971 1.00 0.00 H new ATOM 1341 N ALA A 100 -6.930 9.842 -5.320 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.281 10.007 -6.609 1.00 0.00 C ATOM 1343 C ALA A 100 -5.575 11.365 -6.648 1.00 0.00 C ATOM 1344 O ALA A 100 -5.011 11.744 -7.673 1.00 0.00 O ATOM 1345 CB ALA A 100 -7.316 9.856 -7.725 1.00 0.00 C ATOM 0 H ALA A 100 -7.929 10.047 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.525 9.237 -6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.829 9.980 -8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.768 8.866 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.090 10.615 -7.609 1.00 0.00 H new ATOM 1351 N ALA A 101 -5.632 12.058 -5.520 1.00 0.00 N ATOM 1352 CA ALA A 101 -5.006 13.365 -5.414 1.00 0.00 C ATOM 1353 C ALA A 101 -3.599 13.206 -4.836 1.00 0.00 C ATOM 1354 O ALA A 101 -2.761 14.096 -4.978 1.00 0.00 O ATOM 1355 CB ALA A 101 -5.885 14.285 -4.564 1.00 0.00 C ATOM 0 H ALA A 101 -6.102 11.739 -4.672 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.909 13.825 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.415 15.265 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.864 14.388 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.003 13.857 -3.568 1.00 0.00 H new ATOM 1361 N GLY A 102 -3.382 12.065 -4.197 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.090 11.779 -3.594 1.00 0.00 C ATOM 1363 C GLY A 102 -2.044 12.251 -2.141 1.00 0.00 C ATOM 1364 O GLY A 102 -1.133 12.979 -1.750 1.00 0.00 O ATOM 0 H GLY A 102 -4.078 11.328 -4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.894 10.708 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.302 12.271 -4.164 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.040 11.820 -1.380 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.124 12.190 0.023 1.00 0.00 C ATOM 1370 C ASN A 103 -3.815 11.070 0.801 1.00 0.00 C ATOM 1371 O ASN A 103 -4.447 10.196 0.208 1.00 0.00 O ATOM 1372 CB ASN A 103 -3.945 13.469 0.205 1.00 0.00 C ATOM 1373 CG ASN A 103 -5.406 13.244 -0.186 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -5.639 13.363 -1.491 1.00 0.00 O flip ATOM 1375 ND2 ASN A 103 -6.263 12.980 0.639 1.00 0.00 N flip ATOM 0 H ASN A 103 -3.795 11.218 -1.708 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.111 12.355 0.390 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.889 13.796 1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.521 14.267 -0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.015 12.904 1.625 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.228 12.835 0.343 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.672 11.130 2.117 1.00 0.00 N ATOM 1383 CA GLY A 104 -4.275 10.131 2.982 1.00 0.00 C ATOM 1384 C GLY A 104 -3.273 9.028 3.325 1.00 0.00 C ATOM 1385 O GLY A 104 -2.985 8.165 2.497 1.00 0.00 O ATOM 0 H GLY A 104 -3.147 11.856 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.629 10.604 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.146 9.697 2.491 1.00 0.00 H new ATOM 1389 N PRO A 105 -2.757 9.091 4.582 1.00 0.00 N ATOM 1390 CA PRO A 105 -1.793 8.107 5.044 1.00 0.00 C ATOM 1391 C PRO A 105 -2.476 6.774 5.357 1.00 0.00 C ATOM 1392 O PRO A 105 -2.285 6.212 6.434 1.00 0.00 O ATOM 1393 CB PRO A 105 -1.140 8.739 6.263 1.00 0.00 C ATOM 1394 CG PRO A 105 -2.078 9.847 6.712 1.00 0.00 C ATOM 1395 CD PRO A 105 -3.074 10.098 5.590 1.00 0.00 C ATOM 0 HA PRO A 105 -1.046 7.864 4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.997 8.004 7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.156 9.137 6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.597 9.560 7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.517 10.755 6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.101 9.997 5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.972 11.106 5.188 1.00 0.00 H new ATOM 1403 N GLU A 106 -3.260 6.308 4.395 1.00 0.00 N ATOM 1404 CA GLU A 106 -3.973 5.052 4.555 1.00 0.00 C ATOM 1405 C GLU A 106 -3.125 3.890 4.033 1.00 0.00 C ATOM 1406 O GLU A 106 -2.669 3.913 2.891 1.00 0.00 O ATOM 1407 CB GLU A 106 -5.330 5.100 3.848 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.462 5.328 4.853 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.466 6.352 4.322 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.825 7.254 5.111 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -7.851 6.211 3.141 1.00 0.00 O ATOM 0 H GLU A 106 -3.417 6.777 3.503 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.157 4.893 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.330 5.899 3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.498 4.167 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.970 4.385 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.049 5.675 5.800 1.00 0.00 H new ATOM 1419 N GLY A 107 -2.938 2.903 4.896 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.154 1.733 4.538 1.00 0.00 C ATOM 1421 C GLY A 107 -1.640 1.015 5.787 1.00 0.00 C ATOM 1422 O GLY A 107 -1.331 1.652 6.794 1.00 0.00 O ATOM 0 H GLY A 107 -3.316 2.889 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.763 1.050 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.312 2.032 3.914 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.564 -0.304 5.684 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.091 -1.117 6.791 1.00 0.00 C ATOM 1428 C VAL A 108 0.325 -1.608 6.490 1.00 0.00 C ATOM 1429 O VAL A 108 0.581 -2.160 5.419 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.077 -2.257 7.060 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -1.883 -3.396 6.057 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -1.949 -2.765 8.496 1.00 0.00 C ATOM 0 H VAL A 108 -1.823 -0.830 4.849 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.040 -0.526 7.706 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.086 -1.865 6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.595 -4.193 6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.047 -3.023 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.868 -3.785 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.660 -3.574 8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.936 -3.132 8.663 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.159 -1.951 9.190 1.00 0.00 H new ATOM 1442 N ALA A 109 1.208 -1.393 7.455 1.00 0.00 N ATOM 1443 CA ALA A 109 2.594 -1.809 7.307 1.00 0.00 C ATOM 1444 C ALA A 109 2.657 -3.334 7.213 1.00 0.00 C ATOM 1445 O ALA A 109 2.930 -4.010 8.204 1.00 0.00 O ATOM 1446 CB ALA A 109 3.419 -1.260 8.474 1.00 0.00 C ATOM 0 H ALA A 109 0.991 -0.937 8.341 1.00 0.00 H new ATOM 0 HA ALA A 109 3.021 -1.405 6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.458 -1.571 8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.365 -0.171 8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.022 -1.646 9.413 1.00 0.00 H new ATOM 1452 N ILE A 110 2.401 -3.832 6.013 1.00 0.00 N ATOM 1453 CA ILE A 110 2.425 -5.266 5.777 1.00 0.00 C ATOM 1454 C ILE A 110 3.702 -5.631 5.016 1.00 0.00 C ATOM 1455 O ILE A 110 4.133 -4.896 4.128 1.00 0.00 O ATOM 1456 CB ILE A 110 1.142 -5.715 5.074 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.490 -6.882 5.818 1.00 0.00 C ATOM 1458 CG2 ILE A 110 1.409 -6.048 3.605 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.463 -6.378 6.903 1.00 0.00 C ATOM 0 H ILE A 110 2.176 -3.268 5.193 1.00 0.00 H new ATOM 0 HA ILE A 110 2.450 -5.807 6.723 1.00 0.00 H new ATOM 0 HB ILE A 110 0.434 -4.886 5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.056 -7.508 5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.261 -7.507 6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.481 -6.364 3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.795 -5.165 3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.142 -6.853 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.913 -7.228 7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.090 -5.772 7.621 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.247 -5.774 6.447 1.00 0.00 H new ATOM 1471 N SER A 111 4.272 -6.765 5.393 1.00 0.00 N ATOM 1472 CA SER A 111 5.491 -7.238 4.758 1.00 0.00 C ATOM 1473 C SER A 111 6.318 -8.052 5.755 1.00 0.00 C ATOM 1474 O SER A 111 6.646 -9.210 5.495 1.00 0.00 O ATOM 1475 CB SER A 111 6.317 -6.071 4.213 1.00 0.00 C ATOM 1476 OG SER A 111 6.296 -4.946 5.091 1.00 0.00 O ATOM 0 H SER A 111 3.913 -7.371 6.131 1.00 0.00 H new ATOM 0 HA SER A 111 5.214 -7.875 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.347 -6.395 4.063 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.930 -5.777 3.237 1.00 0.00 H new ATOM 0 HG SER A 111 5.686 -4.266 4.737 1.00 0.00 H new