USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 46 GLN : amide:sc= -1.92 K(o=-1.8,f=-3.9) USER MOD Set 1.2: A 76 TYR OH : rot -39:sc= 0.143 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0293 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.679 USER MOD Single : A 26 HIS : no HE2:sc= -9.7! C(o=-9.7!,f=-14!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 110:sc= -0.046 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 63 THR OG1 : rot 55:sc= 0.485 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -54:sc= -1.38! USER MOD Single : A 92 SER OG : rot 178:sc= -1.53 USER MOD Single : A 93 ASN : amide:sc= -1.31! C(o=-1.3!,f=-6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.39!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 4.578 16.762 -4.958 1.00 0.00 N ATOM 67 CA LEU A 8 4.021 15.773 -4.051 1.00 0.00 C ATOM 68 C LEU A 8 5.078 14.707 -3.755 1.00 0.00 C ATOM 69 O LEU A 8 5.514 13.993 -4.656 1.00 0.00 O ATOM 70 CB LEU A 8 2.716 15.205 -4.612 1.00 0.00 C ATOM 71 CG LEU A 8 2.009 14.163 -3.743 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.475 14.794 -2.456 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.910 13.448 -4.530 1.00 0.00 C ATOM 0 HA LEU A 8 3.757 16.235 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.028 16.032 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.926 14.757 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 8 2.739 13.408 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.977 14.032 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.303 15.219 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.764 15.582 -2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.423 12.713 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.174 14.176 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.348 12.945 -5.392 1.00 0.00 H new ATOM 85 N SER A 9 5.460 14.634 -2.488 1.00 0.00 N ATOM 86 CA SER A 9 6.458 13.668 -2.062 1.00 0.00 C ATOM 87 C SER A 9 5.793 12.319 -1.779 1.00 0.00 C ATOM 88 O SER A 9 4.605 12.263 -1.463 1.00 0.00 O ATOM 89 CB SER A 9 7.207 14.160 -0.822 1.00 0.00 C ATOM 90 OG SER A 9 6.465 13.936 0.374 1.00 0.00 O ATOM 0 H SER A 9 5.096 15.228 -1.743 1.00 0.00 H new ATOM 0 HA SER A 9 7.183 13.548 -2.867 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.168 13.650 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.417 15.225 -0.924 1.00 0.00 H new ATOM 0 HG SER A 9 6.978 14.262 1.143 1.00 0.00 H new ATOM 96 N PRO A 10 6.609 11.239 -1.906 1.00 0.00 N ATOM 97 CA PRO A 10 6.112 9.894 -1.669 1.00 0.00 C ATOM 98 C PRO A 10 5.939 9.630 -0.171 1.00 0.00 C ATOM 99 O PRO A 10 6.449 10.382 0.658 1.00 0.00 O ATOM 100 CB PRO A 10 7.134 8.976 -2.319 1.00 0.00 C ATOM 101 CG PRO A 10 8.394 9.810 -2.489 1.00 0.00 C ATOM 102 CD PRO A 10 8.020 11.268 -2.279 1.00 0.00 C ATOM 0 HA PRO A 10 5.122 9.730 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.325 8.102 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.775 8.610 -3.281 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.154 9.504 -1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.817 9.664 -3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.627 11.724 -1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.178 11.852 -3.186 1.00 0.00 H new ATOM 110 N PRO A 11 5.198 8.532 0.137 1.00 0.00 N ATOM 111 CA PRO A 11 4.951 8.160 1.520 1.00 0.00 C ATOM 112 C PRO A 11 6.198 7.538 2.151 1.00 0.00 C ATOM 113 O PRO A 11 7.225 7.391 1.490 1.00 0.00 O ATOM 114 CB PRO A 11 3.772 7.202 1.465 1.00 0.00 C ATOM 115 CG PRO A 11 3.700 6.712 0.028 1.00 0.00 C ATOM 116 CD PRO A 11 4.577 7.620 -0.819 1.00 0.00 C ATOM 0 HA PRO A 11 4.721 9.018 2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.912 6.370 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.848 7.703 1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.042 5.679 -0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.671 6.732 -0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.327 7.049 -1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.988 8.162 -1.558 1.00 0.00 H new ATOM 124 N ARG A 12 6.067 7.191 3.423 1.00 0.00 N ATOM 125 CA ARG A 12 7.171 6.588 4.151 1.00 0.00 C ATOM 126 C ARG A 12 6.641 5.642 5.231 1.00 0.00 C ATOM 127 O ARG A 12 5.435 5.569 5.459 1.00 0.00 O ATOM 128 CB ARG A 12 8.048 7.657 4.805 1.00 0.00 C ATOM 129 CG ARG A 12 7.816 9.026 4.162 1.00 0.00 C ATOM 130 CD ARG A 12 8.707 10.092 4.804 1.00 0.00 C ATOM 131 NE ARG A 12 8.592 11.364 4.057 1.00 0.00 N ATOM 132 CZ ARG A 12 9.245 12.488 4.382 1.00 0.00 C ATOM 133 NH1 ARG A 12 10.064 12.504 5.443 1.00 0.00 N ATOM 134 NH2 ARG A 12 9.080 13.596 3.647 1.00 0.00 N ATOM 0 H ARG A 12 5.214 7.316 3.968 1.00 0.00 H new ATOM 0 HA ARG A 12 7.773 6.028 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.828 7.710 5.871 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.098 7.380 4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.023 8.969 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.769 9.309 4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.416 10.243 5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.744 9.756 4.809 1.00 0.00 H new ATOM 0 HE ARG A 12 7.977 11.387 3.244 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.190 11.661 6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.561 13.359 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.457 13.584 2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.577 14.451 3.895 1.00 0.00 H new ATOM 148 N GLY A 13 7.569 4.942 5.866 1.00 0.00 N ATOM 149 CA GLY A 13 7.211 4.004 6.917 1.00 0.00 C ATOM 150 C GLY A 13 6.081 3.078 6.462 1.00 0.00 C ATOM 151 O GLY A 13 5.072 2.939 7.152 1.00 0.00 O ATOM 0 H GLY A 13 8.569 5.005 5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.083 3.411 7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.902 4.551 7.808 1.00 0.00 H new ATOM 155 N LEU A 14 6.288 2.468 5.304 1.00 0.00 N ATOM 156 CA LEU A 14 5.300 1.559 4.750 1.00 0.00 C ATOM 157 C LEU A 14 5.594 0.137 5.231 1.00 0.00 C ATOM 158 O LEU A 14 6.651 -0.418 4.931 1.00 0.00 O ATOM 159 CB LEU A 14 5.243 1.693 3.227 1.00 0.00 C ATOM 160 CG LEU A 14 3.869 1.488 2.586 1.00 0.00 C ATOM 161 CD1 LEU A 14 3.996 0.794 1.228 1.00 0.00 C ATOM 162 CD2 LEU A 14 2.931 0.732 3.530 1.00 0.00 C ATOM 0 H LEU A 14 7.126 2.586 4.734 1.00 0.00 H new ATOM 0 HA LEU A 14 4.303 1.817 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.604 2.685 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.936 0.972 2.793 1.00 0.00 H new ATOM 0 HG LEU A 14 3.426 2.468 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.005 0.660 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.604 1.406 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.469 -0.179 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.961 0.600 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.357 -0.244 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.805 1.301 4.451 1.00 0.00 H new ATOM 174 N VAL A 15 4.641 -0.413 5.970 1.00 0.00 N ATOM 175 CA VAL A 15 4.785 -1.760 6.495 1.00 0.00 C ATOM 176 C VAL A 15 3.553 -2.584 6.119 1.00 0.00 C ATOM 177 O VAL A 15 2.556 -2.038 5.650 1.00 0.00 O ATOM 178 CB VAL A 15 5.032 -1.709 8.005 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.528 -1.618 8.313 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.269 -0.549 8.646 1.00 0.00 C ATOM 0 H VAL A 15 3.766 0.050 6.217 1.00 0.00 H new ATOM 0 HA VAL A 15 5.652 -2.251 6.053 1.00 0.00 H new ATOM 0 HB VAL A 15 4.657 -2.637 8.437 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.676 -1.583 9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.037 -2.491 7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.938 -0.715 7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.462 -0.535 9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.600 0.392 8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.201 -0.675 8.471 1.00 0.00 H new ATOM 190 N ALA A 16 3.662 -3.886 6.338 1.00 0.00 N ATOM 191 CA ALA A 16 2.568 -4.791 6.028 1.00 0.00 C ATOM 192 C ALA A 16 2.547 -5.929 7.051 1.00 0.00 C ATOM 193 O ALA A 16 3.511 -6.683 7.166 1.00 0.00 O ATOM 194 CB ALA A 16 2.719 -5.301 4.593 1.00 0.00 C ATOM 0 H ALA A 16 4.491 -4.336 6.726 1.00 0.00 H new ATOM 0 HA ALA A 16 1.611 -4.272 6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.899 -5.980 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.699 -4.457 3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.667 -5.829 4.493 1.00 0.00 H new ATOM 200 N VAL A 17 1.436 -6.015 7.769 1.00 0.00 N ATOM 201 CA VAL A 17 1.276 -7.047 8.779 1.00 0.00 C ATOM 202 C VAL A 17 0.072 -7.921 8.423 1.00 0.00 C ATOM 203 O VAL A 17 -1.073 -7.505 8.592 1.00 0.00 O ATOM 204 CB VAL A 17 1.163 -6.410 10.165 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.295 -5.150 10.120 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.623 -7.412 11.187 1.00 0.00 C ATOM 0 H VAL A 17 0.638 -5.387 7.671 1.00 0.00 H new ATOM 0 HA VAL A 17 2.152 -7.695 8.804 1.00 0.00 H new ATOM 0 HB VAL A 17 2.164 -6.116 10.481 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.231 -4.717 11.118 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.740 -4.426 9.438 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.705 -5.409 9.772 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.553 -6.933 12.164 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.365 -7.751 10.877 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.297 -8.267 11.250 1.00 0.00 H new ATOM 216 N ARG A 18 0.372 -9.116 7.936 1.00 0.00 N ATOM 217 CA ARG A 18 -0.672 -10.052 7.555 1.00 0.00 C ATOM 218 C ARG A 18 -1.449 -10.513 8.789 1.00 0.00 C ATOM 219 O ARG A 18 -0.862 -10.746 9.845 1.00 0.00 O ATOM 220 CB ARG A 18 -0.084 -11.274 6.845 1.00 0.00 C ATOM 221 CG ARG A 18 -0.860 -11.591 5.565 1.00 0.00 C ATOM 222 CD ARG A 18 -2.065 -12.485 5.862 1.00 0.00 C ATOM 223 NE ARG A 18 -1.607 -13.815 6.324 1.00 0.00 N ATOM 224 CZ ARG A 18 -2.390 -14.901 6.379 1.00 0.00 C ATOM 225 NH1 ARG A 18 -3.673 -14.823 6.001 1.00 0.00 N ATOM 226 NH2 ARG A 18 -1.888 -16.066 6.811 1.00 0.00 N ATOM 0 H ARG A 18 1.323 -9.458 7.797 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.345 -9.536 6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.963 -11.090 6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.110 -12.135 7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.196 -10.664 5.100 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.203 -12.086 4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.692 -12.022 6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.678 -12.593 4.967 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.635 -13.911 6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.054 -13.936 5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.268 -15.650 6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.911 -16.125 7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.483 -16.893 6.853 1.00 0.00 H new ATOM 240 N THR A 19 -2.757 -10.631 8.616 1.00 0.00 N ATOM 241 CA THR A 19 -3.620 -11.060 9.704 1.00 0.00 C ATOM 242 C THR A 19 -4.724 -11.979 9.177 1.00 0.00 C ATOM 243 O THR A 19 -4.769 -12.283 7.986 1.00 0.00 O ATOM 244 CB THR A 19 -4.154 -9.809 10.405 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.428 -9.592 9.804 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.356 -8.553 10.050 1.00 0.00 C ATOM 0 H THR A 19 -3.240 -10.437 7.739 1.00 0.00 H new ATOM 0 HA THR A 19 -3.070 -11.651 10.436 1.00 0.00 H new ATOM 0 HB THR A 19 -4.131 -9.960 11.484 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.846 -8.800 10.201 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.776 -7.695 10.574 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.316 -8.686 10.348 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.406 -8.382 8.975 1.00 0.00 H new ATOM 254 N PRO A 20 -5.611 -12.408 10.115 1.00 0.00 N ATOM 255 CA PRO A 20 -6.711 -13.287 9.758 1.00 0.00 C ATOM 256 C PRO A 20 -7.810 -12.518 9.021 1.00 0.00 C ATOM 257 O PRO A 20 -8.837 -13.090 8.659 1.00 0.00 O ATOM 258 CB PRO A 20 -7.183 -13.881 11.075 1.00 0.00 C ATOM 259 CG PRO A 20 -6.642 -12.967 12.163 1.00 0.00 C ATOM 260 CD PRO A 20 -5.589 -12.069 11.535 1.00 0.00 C ATOM 0 HA PRO A 20 -6.413 -14.074 9.065 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.271 -13.931 11.113 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.812 -14.898 11.200 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.445 -12.370 12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.210 -13.553 12.974 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.821 -11.016 11.694 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.606 -12.248 11.970 1.00 0.00 H new ATOM 268 N ARG A 21 -7.557 -11.233 8.822 1.00 0.00 N ATOM 269 CA ARG A 21 -8.511 -10.379 8.135 1.00 0.00 C ATOM 270 C ARG A 21 -7.814 -9.586 7.029 1.00 0.00 C ATOM 271 O ARG A 21 -8.333 -8.571 6.566 1.00 0.00 O ATOM 272 CB ARG A 21 -9.179 -9.406 9.108 1.00 0.00 C ATOM 273 CG ARG A 21 -9.375 -10.051 10.482 1.00 0.00 C ATOM 274 CD ARG A 21 -10.689 -9.595 11.120 1.00 0.00 C ATOM 275 NE ARG A 21 -10.701 -9.943 12.558 1.00 0.00 N ATOM 276 CZ ARG A 21 -11.714 -9.665 13.390 1.00 0.00 C ATOM 277 NH1 ARG A 21 -12.803 -9.033 12.932 1.00 0.00 N ATOM 278 NH2 ARG A 21 -11.638 -10.019 14.680 1.00 0.00 N ATOM 0 H ARG A 21 -6.704 -10.762 9.125 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.276 -11.021 7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.568 -8.509 9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.144 -9.092 8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.373 -11.136 10.382 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.541 -9.789 11.133 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.808 -8.519 10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.531 -10.069 10.616 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.887 -10.425 12.940 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.861 -8.763 11.950 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.574 -8.821 13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.809 -10.500 15.029 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.409 -9.807 15.313 1.00 0.00 H new ATOM 292 N GLY A 22 -6.648 -10.078 6.637 1.00 0.00 N ATOM 293 CA GLY A 22 -5.874 -9.427 5.593 1.00 0.00 C ATOM 294 C GLY A 22 -4.509 -8.980 6.121 1.00 0.00 C ATOM 295 O GLY A 22 -3.892 -9.676 6.926 1.00 0.00 O ATOM 0 H GLY A 22 -6.220 -10.920 7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.738 -10.112 4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.422 -8.564 5.214 1.00 0.00 H new ATOM 299 N VAL A 23 -4.077 -7.821 5.646 1.00 0.00 N ATOM 300 CA VAL A 23 -2.797 -7.272 6.060 1.00 0.00 C ATOM 301 C VAL A 23 -2.963 -5.785 6.379 1.00 0.00 C ATOM 302 O VAL A 23 -3.476 -5.024 5.560 1.00 0.00 O ATOM 303 CB VAL A 23 -1.742 -7.539 4.984 1.00 0.00 C ATOM 304 CG1 VAL A 23 -2.316 -7.313 3.584 1.00 0.00 C ATOM 305 CG2 VAL A 23 -0.498 -6.677 5.212 1.00 0.00 C ATOM 0 H VAL A 23 -4.591 -7.247 4.978 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.447 -7.761 6.969 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.445 -8.585 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.545 -7.510 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.157 -7.987 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.655 -6.281 3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.237 -6.885 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.774 -5.623 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.069 -6.908 6.187 1.00 0.00 H new ATOM 315 N LEU A 24 -2.521 -5.416 7.572 1.00 0.00 N ATOM 316 CA LEU A 24 -2.615 -4.034 8.010 1.00 0.00 C ATOM 317 C LEU A 24 -1.369 -3.273 7.552 1.00 0.00 C ATOM 318 O LEU A 24 -0.305 -3.395 8.156 1.00 0.00 O ATOM 319 CB LEU A 24 -2.856 -3.965 9.519 1.00 0.00 C ATOM 320 CG LEU A 24 -3.286 -2.603 10.068 1.00 0.00 C ATOM 321 CD1 LEU A 24 -3.923 -1.747 8.972 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.210 -2.766 11.277 1.00 0.00 C ATOM 0 H LEU A 24 -2.097 -6.050 8.249 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.475 -3.547 7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.621 -4.697 9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.940 -4.267 10.027 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.396 -2.077 10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.220 -0.784 9.388 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.203 -1.589 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.801 -2.257 8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.501 -1.783 11.648 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.101 -3.321 10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.687 -3.310 12.064 1.00 0.00 H new ATOM 334 N LEU A 25 -1.543 -2.504 6.487 1.00 0.00 N ATOM 335 CA LEU A 25 -0.446 -1.723 5.940 1.00 0.00 C ATOM 336 C LEU A 25 -0.418 -0.349 6.614 1.00 0.00 C ATOM 337 O LEU A 25 -1.421 0.364 6.619 1.00 0.00 O ATOM 338 CB LEU A 25 -0.543 -1.658 4.415 1.00 0.00 C ATOM 339 CG LEU A 25 -0.875 -2.973 3.707 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.631 -2.718 2.402 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.387 -3.809 3.484 1.00 0.00 C ATOM 0 H LEU A 25 -2.427 -2.405 5.988 1.00 0.00 H new ATOM 0 HA LEU A 25 0.508 -2.204 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.304 -0.924 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.406 -1.288 4.026 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.535 -3.551 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.854 -3.669 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.562 -2.193 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.016 -2.110 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.123 -4.738 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.091 -3.249 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.847 -4.036 4.445 1.00 0.00 H new ATOM 353 N HIS A 26 0.740 -0.020 7.166 1.00 0.00 N ATOM 354 CA HIS A 26 0.912 1.256 7.840 1.00 0.00 C ATOM 355 C HIS A 26 1.960 2.090 7.102 1.00 0.00 C ATOM 356 O HIS A 26 3.100 1.659 6.939 1.00 0.00 O ATOM 357 CB HIS A 26 1.253 1.047 9.317 1.00 0.00 C ATOM 358 CG HIS A 26 0.824 -0.294 9.863 1.00 0.00 C ATOM 359 ND1 HIS A 26 1.541 -0.971 10.834 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.254 -1.074 9.565 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.914 -2.108 11.100 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.198 -2.170 10.312 1.00 0.00 N ATOM 0 H HIS A 26 1.569 -0.615 7.161 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.025 1.813 7.818 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.330 1.154 9.449 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.780 1.835 9.903 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.405 -0.650 11.271 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.023 -0.840 8.844 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.228 -2.854 11.815 1.00 0.00 H new ATOM 370 N TRP A 27 1.536 3.271 6.674 1.00 0.00 N ATOM 371 CA TRP A 27 2.424 4.169 5.956 1.00 0.00 C ATOM 372 C TRP A 27 2.381 5.531 6.653 1.00 0.00 C ATOM 373 O TRP A 27 1.614 5.728 7.594 1.00 0.00 O ATOM 374 CB TRP A 27 2.049 4.243 4.475 1.00 0.00 C ATOM 375 CG TRP A 27 0.653 4.813 4.214 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.308 6.091 4.007 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.580 4.066 4.140 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.051 6.223 3.806 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.608 4.952 3.889 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.819 2.688 4.280 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -2.945 4.558 3.757 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.160 2.310 4.145 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.207 3.189 3.893 1.00 0.00 C ATOM 0 H TRP A 27 0.590 3.626 6.811 1.00 0.00 H new ATOM 0 HA TRP A 27 3.449 3.798 5.978 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.784 4.857 3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.108 3.243 4.045 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.006 6.915 3.998 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.554 7.093 3.629 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.030 1.977 4.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.732 5.271 3.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.398 1.261 4.244 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.217 2.818 3.803 1.00 0.00 H new ATOM 394 N ASP A 28 3.215 6.437 6.163 1.00 0.00 N ATOM 395 CA ASP A 28 3.283 7.774 6.726 1.00 0.00 C ATOM 396 C ASP A 28 2.883 8.794 5.658 1.00 0.00 C ATOM 397 O ASP A 28 3.133 8.586 4.472 1.00 0.00 O ATOM 398 CB ASP A 28 4.703 8.106 7.188 1.00 0.00 C ATOM 399 CG ASP A 28 4.891 8.171 8.705 1.00 0.00 C ATOM 400 OD1 ASP A 28 4.621 9.256 9.265 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.299 7.134 9.271 1.00 0.00 O ATOM 0 H ASP A 28 3.849 6.271 5.382 1.00 0.00 H new ATOM 0 HA ASP A 28 2.607 7.814 7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.385 7.357 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.993 9.065 6.760 1.00 0.00 H new ATOM 406 N PRO A 29 2.252 9.903 6.129 1.00 0.00 N ATOM 407 CA PRO A 29 1.815 10.955 5.227 1.00 0.00 C ATOM 408 C PRO A 29 3.001 11.792 4.746 1.00 0.00 C ATOM 409 O PRO A 29 3.933 12.049 5.506 1.00 0.00 O ATOM 410 CB PRO A 29 0.803 11.761 6.025 1.00 0.00 C ATOM 411 CG PRO A 29 1.053 11.418 7.484 1.00 0.00 C ATOM 412 CD PRO A 29 1.939 10.183 7.527 1.00 0.00 C ATOM 0 HA PRO A 29 1.364 10.567 4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.928 12.829 5.848 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.216 11.507 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.535 12.252 7.995 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.111 11.230 7.999 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.844 10.365 8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.425 9.343 7.994 1.00 0.00 H new ATOM 420 N PRO A 30 2.926 12.206 3.453 1.00 0.00 N ATOM 421 CA PRO A 30 3.982 13.009 2.861 1.00 0.00 C ATOM 422 C PRO A 30 3.919 14.453 3.363 1.00 0.00 C ATOM 423 O PRO A 30 2.999 15.194 3.020 1.00 0.00 O ATOM 424 CB PRO A 30 3.772 12.892 1.360 1.00 0.00 C ATOM 425 CG PRO A 30 2.341 12.414 1.176 1.00 0.00 C ATOM 426 CD PRO A 30 1.837 11.921 2.523 1.00 0.00 C ATOM 0 HA PRO A 30 4.978 12.664 3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.930 13.852 0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.479 12.188 0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.712 13.224 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.298 11.614 0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.922 12.435 2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.609 10.855 2.495 1.00 0.00 H new ATOM 434 N GLU A 31 4.910 14.810 4.167 1.00 0.00 N ATOM 435 CA GLU A 31 4.979 16.153 4.719 1.00 0.00 C ATOM 436 C GLU A 31 5.002 17.189 3.594 1.00 0.00 C ATOM 437 O GLU A 31 4.567 18.324 3.782 1.00 0.00 O ATOM 438 CB GLU A 31 6.196 16.308 5.632 1.00 0.00 C ATOM 439 CG GLU A 31 6.232 17.700 6.267 1.00 0.00 C ATOM 440 CD GLU A 31 5.429 17.730 7.569 1.00 0.00 C ATOM 441 OE1 GLU A 31 5.864 17.046 8.520 1.00 0.00 O ATOM 442 OE2 GLU A 31 4.398 18.436 7.583 1.00 0.00 O ATOM 0 H GLU A 31 5.672 14.193 4.449 1.00 0.00 H new ATOM 0 HA GLU A 31 4.088 16.322 5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.168 15.549 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.108 16.142 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.265 17.986 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.827 18.433 5.569 1.00 0.00 H new ATOM 449 N LEU A 32 5.513 16.761 2.449 1.00 0.00 N ATOM 450 CA LEU A 32 5.598 17.638 1.293 1.00 0.00 C ATOM 451 C LEU A 32 4.388 17.400 0.388 1.00 0.00 C ATOM 452 O LEU A 32 4.306 16.375 -0.288 1.00 0.00 O ATOM 453 CB LEU A 32 6.942 17.460 0.584 1.00 0.00 C ATOM 454 CG LEU A 32 8.104 18.292 1.130 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.232 18.399 0.102 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.622 19.667 1.598 1.00 0.00 C ATOM 0 H LEU A 32 5.872 15.819 2.297 1.00 0.00 H new ATOM 0 HA LEU A 32 5.563 18.682 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.220 16.407 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.810 17.705 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 32 8.511 17.780 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.045 18.995 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.600 17.402 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.856 18.876 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.468 20.238 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.174 20.200 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.880 19.543 2.387 1.00 0.00 H new ATOM 468 N VAL A 33 3.479 18.364 0.403 1.00 0.00 N ATOM 469 CA VAL A 33 2.277 18.272 -0.409 1.00 0.00 C ATOM 470 C VAL A 33 2.107 19.565 -1.209 1.00 0.00 C ATOM 471 O VAL A 33 2.394 20.651 -0.708 1.00 0.00 O ATOM 472 CB VAL A 33 1.070 17.954 0.477 1.00 0.00 C ATOM 473 CG1 VAL A 33 -0.042 17.284 -0.332 1.00 0.00 C ATOM 474 CG2 VAL A 33 1.479 17.087 1.670 1.00 0.00 C ATOM 0 H VAL A 33 3.551 19.213 0.964 1.00 0.00 H new ATOM 0 HA VAL A 33 2.362 17.455 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 33 0.681 18.896 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.888 17.069 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.362 17.951 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.330 16.354 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.603 16.876 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.905 16.150 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.221 17.617 2.267 1.00 0.00 H new ATOM 484 N PRO A 34 1.629 19.400 -2.471 1.00 0.00 N ATOM 485 CA PRO A 34 1.417 20.541 -3.346 1.00 0.00 C ATOM 486 C PRO A 34 0.167 21.322 -2.936 1.00 0.00 C ATOM 487 O PRO A 34 -0.019 22.466 -3.349 1.00 0.00 O ATOM 488 CB PRO A 34 1.319 19.953 -4.744 1.00 0.00 C ATOM 489 CG PRO A 34 1.014 18.476 -4.554 1.00 0.00 C ATOM 490 CD PRO A 34 1.278 18.129 -3.097 1.00 0.00 C ATOM 0 HA PRO A 34 2.227 21.269 -3.291 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.534 20.443 -5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.251 20.092 -5.293 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.023 18.264 -4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.639 17.870 -5.210 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.398 17.687 -2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.087 17.404 -3.003 1.00 0.00 H new ATOM 498 N LYS A 35 -0.659 20.672 -2.130 1.00 0.00 N ATOM 499 CA LYS A 35 -1.887 21.290 -1.660 1.00 0.00 C ATOM 500 C LYS A 35 -2.682 20.275 -0.835 1.00 0.00 C ATOM 501 O LYS A 35 -2.505 20.182 0.379 1.00 0.00 O ATOM 502 CB LYS A 35 -2.674 21.879 -2.833 1.00 0.00 C ATOM 503 CG LYS A 35 -4.144 22.080 -2.462 1.00 0.00 C ATOM 504 CD LYS A 35 -4.638 23.459 -2.902 1.00 0.00 C ATOM 505 CE LYS A 35 -6.162 23.551 -2.809 1.00 0.00 C ATOM 506 NZ LYS A 35 -6.567 24.829 -2.181 1.00 0.00 N ATOM 0 H LYS A 35 -0.502 19.723 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.662 22.130 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.236 22.833 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.600 21.215 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.750 21.306 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.269 21.972 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.185 24.228 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.320 23.653 -3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.598 23.474 -3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.548 22.714 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.604 24.875 -2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.166 24.887 -1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.215 25.623 -2.753 1.00 0.00 H new ATOM 520 N ARG A 36 -3.540 19.540 -1.527 1.00 0.00 N ATOM 521 CA ARG A 36 -4.362 18.536 -0.874 1.00 0.00 C ATOM 522 C ARG A 36 -4.118 17.162 -1.500 1.00 0.00 C ATOM 523 O ARG A 36 -3.890 17.056 -2.705 1.00 0.00 O ATOM 524 CB ARG A 36 -5.848 18.883 -0.984 1.00 0.00 C ATOM 525 CG ARG A 36 -6.720 17.668 -0.662 1.00 0.00 C ATOM 526 CD ARG A 36 -6.727 17.381 0.841 1.00 0.00 C ATOM 527 NE ARG A 36 -7.451 16.120 1.113 1.00 0.00 N ATOM 528 CZ ARG A 36 -7.897 15.755 2.322 1.00 0.00 C ATOM 529 NH1 ARG A 36 -7.695 16.553 3.379 1.00 0.00 N ATOM 530 NH2 ARG A 36 -8.545 14.592 2.475 1.00 0.00 N ATOM 0 H ARG A 36 -3.684 19.620 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.084 18.514 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.086 19.698 -0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.069 19.237 -1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.739 17.845 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.348 16.796 -1.201 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.704 17.309 1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.202 18.205 1.374 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.621 15.489 0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.202 17.438 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.035 16.275 4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.699 13.984 1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.884 14.315 3.396 1.00 0.00 H new ATOM 544 N LEU A 37 -4.174 16.143 -0.655 1.00 0.00 N ATOM 545 CA LEU A 37 -3.962 14.779 -1.111 1.00 0.00 C ATOM 546 C LEU A 37 -5.258 14.244 -1.723 1.00 0.00 C ATOM 547 O LEU A 37 -6.324 14.347 -1.117 1.00 0.00 O ATOM 548 CB LEU A 37 -3.415 13.914 0.026 1.00 0.00 C ATOM 549 CG LEU A 37 -2.228 13.015 -0.328 1.00 0.00 C ATOM 550 CD1 LEU A 37 -1.028 13.312 0.573 1.00 0.00 C ATOM 551 CD2 LEU A 37 -2.626 11.538 -0.284 1.00 0.00 C ATOM 0 H LEU A 37 -4.363 16.234 0.343 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.204 14.751 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.118 14.570 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.223 13.285 0.399 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.925 13.236 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.198 12.660 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.728 14.352 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.302 13.136 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.764 10.921 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.970 11.284 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.428 11.356 -1.000 1.00 0.00 H new ATOM 563 N ASP A 38 -5.124 13.684 -2.916 1.00 0.00 N ATOM 564 CA ASP A 38 -6.271 13.132 -3.617 1.00 0.00 C ATOM 565 C ASP A 38 -6.485 11.683 -3.174 1.00 0.00 C ATOM 566 O ASP A 38 -7.608 11.182 -3.198 1.00 0.00 O ATOM 567 CB ASP A 38 -6.046 13.136 -5.130 1.00 0.00 C ATOM 568 CG ASP A 38 -7.309 13.338 -5.971 1.00 0.00 C ATOM 569 OD1 ASP A 38 -8.191 14.087 -5.498 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.363 12.739 -7.066 1.00 0.00 O ATOM 0 H ASP A 38 -4.238 13.601 -3.415 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.139 13.747 -3.380 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.335 13.925 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.584 12.191 -5.416 1.00 0.00 H new ATOM 575 N GLY A 39 -5.389 11.050 -2.782 1.00 0.00 N ATOM 576 CA GLY A 39 -5.442 9.668 -2.335 1.00 0.00 C ATOM 577 C GLY A 39 -4.196 8.899 -2.780 1.00 0.00 C ATOM 578 O GLY A 39 -3.409 9.398 -3.583 1.00 0.00 O ATOM 0 H GLY A 39 -4.459 11.469 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.524 9.636 -1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.334 9.186 -2.736 1.00 0.00 H new ATOM 582 N TYR A 40 -4.057 7.698 -2.240 1.00 0.00 N ATOM 583 CA TYR A 40 -2.921 6.855 -2.572 1.00 0.00 C ATOM 584 C TYR A 40 -3.355 5.655 -3.415 1.00 0.00 C ATOM 585 O TYR A 40 -4.544 5.471 -3.673 1.00 0.00 O ATOM 586 CB TYR A 40 -2.365 6.351 -1.238 1.00 0.00 C ATOM 587 CG TYR A 40 -1.961 7.466 -0.271 1.00 0.00 C ATOM 588 CD1 TYR A 40 -2.923 8.114 0.477 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.634 7.824 -0.148 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.543 9.163 1.387 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.253 8.874 0.762 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.227 9.491 1.485 1.00 0.00 C ATOM 593 OH TYR A 40 -0.867 10.482 2.344 1.00 0.00 O ATOM 0 H TYR A 40 -4.712 7.288 -1.574 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.184 7.415 -3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.115 5.722 -0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.497 5.721 -1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.962 7.834 0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.119 7.317 -0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.286 9.678 1.978 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.782 9.165 0.868 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.380 10.097 3.102 1.00 0.00 H new ATOM 603 N VAL A 41 -2.369 4.870 -3.822 1.00 0.00 N ATOM 604 CA VAL A 41 -2.635 3.693 -4.631 1.00 0.00 C ATOM 605 C VAL A 41 -1.875 2.498 -4.051 1.00 0.00 C ATOM 606 O VAL A 41 -0.656 2.407 -4.189 1.00 0.00 O ATOM 607 CB VAL A 41 -2.282 3.973 -6.094 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.321 2.687 -6.922 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.209 5.036 -6.687 1.00 0.00 C ATOM 0 H VAL A 41 -1.384 5.026 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.696 3.446 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.264 4.361 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.067 2.913 -7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.602 1.973 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.322 2.257 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.937 5.217 -7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.241 4.688 -6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.110 5.962 -6.120 1.00 0.00 H new ATOM 619 N LEU A 42 -2.626 1.612 -3.415 1.00 0.00 N ATOM 620 CA LEU A 42 -2.039 0.427 -2.814 1.00 0.00 C ATOM 621 C LEU A 42 -1.818 -0.633 -3.895 1.00 0.00 C ATOM 622 O LEU A 42 -2.777 -1.184 -4.434 1.00 0.00 O ATOM 623 CB LEU A 42 -2.894 -0.060 -1.642 1.00 0.00 C ATOM 624 CG LEU A 42 -2.209 -1.014 -0.662 1.00 0.00 C ATOM 625 CD1 LEU A 42 -2.888 -2.385 -0.667 1.00 0.00 C ATOM 626 CD2 LEU A 42 -0.710 -1.116 -0.953 1.00 0.00 C ATOM 0 H LEU A 42 -3.637 1.691 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.062 0.660 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.243 0.811 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.777 -0.557 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.315 -0.605 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.382 -3.044 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.932 -2.275 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.834 -2.814 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.247 -1.800 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.561 -1.489 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.253 -0.131 -0.858 1.00 0.00 H new ATOM 638 N GLU A 43 -0.549 -0.886 -4.180 1.00 0.00 N ATOM 639 CA GLU A 43 -0.190 -1.870 -5.187 1.00 0.00 C ATOM 640 C GLU A 43 0.527 -3.056 -4.539 1.00 0.00 C ATOM 641 O GLU A 43 1.591 -2.893 -3.943 1.00 0.00 O ATOM 642 CB GLU A 43 0.671 -1.242 -6.285 1.00 0.00 C ATOM 643 CG GLU A 43 -0.099 -1.156 -7.604 1.00 0.00 C ATOM 644 CD GLU A 43 -0.566 0.276 -7.874 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.001 1.188 -7.234 1.00 0.00 O ATOM 646 OE2 GLU A 43 -1.481 0.426 -8.713 1.00 0.00 O ATOM 0 H GLU A 43 0.243 -0.427 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.105 -2.235 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.987 -0.245 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.576 -1.834 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.536 -1.496 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.960 -1.823 -7.571 1.00 0.00 H new ATOM 653 N GLY A 44 -0.084 -4.224 -4.677 1.00 0.00 N ATOM 654 CA GLY A 44 0.482 -5.436 -4.113 1.00 0.00 C ATOM 655 C GLY A 44 0.774 -6.466 -5.206 1.00 0.00 C ATOM 656 O GLY A 44 0.446 -6.249 -6.372 1.00 0.00 O ATOM 0 H GLY A 44 -0.966 -4.356 -5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.401 -5.197 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.209 -5.860 -3.385 1.00 0.00 H new ATOM 660 N ARG A 45 1.386 -7.565 -4.792 1.00 0.00 N ATOM 661 CA ARG A 45 1.726 -8.629 -5.722 1.00 0.00 C ATOM 662 C ARG A 45 2.440 -9.767 -4.989 1.00 0.00 C ATOM 663 O ARG A 45 3.071 -9.545 -3.956 1.00 0.00 O ATOM 664 CB ARG A 45 2.625 -8.112 -6.846 1.00 0.00 C ATOM 665 CG ARG A 45 3.952 -7.591 -6.291 1.00 0.00 C ATOM 666 CD ARG A 45 4.995 -7.452 -7.402 1.00 0.00 C ATOM 667 NE ARG A 45 6.343 -7.292 -6.814 1.00 0.00 N ATOM 668 CZ ARG A 45 7.481 -7.339 -7.520 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.440 -7.542 -8.844 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.660 -7.183 -6.903 1.00 0.00 N ATOM 0 H ARG A 45 1.656 -7.742 -3.824 1.00 0.00 H new ATOM 0 HA ARG A 45 0.797 -8.999 -6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.815 -8.912 -7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.115 -7.315 -7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.795 -6.625 -5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.321 -8.271 -5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.972 -8.331 -8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.758 -6.592 -8.029 1.00 0.00 H new ATOM 0 HE ARG A 45 6.410 -7.136 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.543 -7.661 -9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.306 -7.578 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.692 -7.028 -5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.526 -7.219 -7.441 1.00 0.00 H new ATOM 684 N GLN A 46 2.317 -10.960 -5.552 1.00 0.00 N ATOM 685 CA GLN A 46 2.943 -12.132 -4.965 1.00 0.00 C ATOM 686 C GLN A 46 3.981 -12.716 -5.925 1.00 0.00 C ATOM 687 O GLN A 46 3.878 -12.541 -7.138 1.00 0.00 O ATOM 688 CB GLN A 46 1.895 -13.181 -4.586 1.00 0.00 C ATOM 689 CG GLN A 46 1.688 -14.184 -5.722 1.00 0.00 C ATOM 690 CD GLN A 46 0.356 -14.921 -5.567 1.00 0.00 C ATOM 691 OE1 GLN A 46 -0.713 -14.334 -5.587 1.00 0.00 O ATOM 692 NE2 GLN A 46 0.480 -16.236 -5.411 1.00 0.00 N ATOM 0 H GLN A 46 1.793 -11.140 -6.408 1.00 0.00 H new ATOM 0 HA GLN A 46 3.453 -11.828 -4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.211 -13.707 -3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.950 -12.689 -4.354 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.711 -13.664 -6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.507 -14.903 -5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.406 -16.664 -5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.351 -16.817 -5.299 1.00 0.00 H new ATOM 736 N GLY A 50 2.634 -9.590 -11.411 1.00 0.00 N ATOM 737 CA GLY A 50 2.254 -8.306 -11.976 1.00 0.00 C ATOM 738 C GLY A 50 1.704 -7.373 -10.895 1.00 0.00 C ATOM 739 O GLY A 50 0.704 -7.686 -10.250 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.118 -7.845 -12.454 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.502 -8.454 -12.751 1.00 0.00 H new ATOM 743 N TRP A 51 2.380 -6.246 -10.731 1.00 0.00 N ATOM 744 CA TRP A 51 1.970 -5.265 -9.740 1.00 0.00 C ATOM 745 C TRP A 51 0.472 -5.011 -9.917 1.00 0.00 C ATOM 746 O TRP A 51 0.034 -4.580 -10.983 1.00 0.00 O ATOM 747 CB TRP A 51 2.810 -3.991 -9.850 1.00 0.00 C ATOM 748 CG TRP A 51 4.128 -4.046 -9.076 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.375 -4.012 -9.566 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.281 -4.147 -7.644 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.316 -4.083 -8.559 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.630 -4.167 -7.353 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.312 -4.218 -6.628 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.132 -4.259 -6.050 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.829 -4.309 -5.331 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.184 -4.331 -5.021 1.00 0.00 C ATOM 0 H TRP A 51 3.209 -5.990 -11.267 1.00 0.00 H new ATOM 0 HA TRP A 51 2.142 -5.641 -8.731 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.026 -3.800 -10.901 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.222 -3.148 -9.487 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.613 -3.938 -10.617 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.329 -4.075 -8.678 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.252 -4.203 -6.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.193 -4.274 -5.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.126 -4.366 -4.513 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.504 -4.403 -3.992 1.00 0.00 H new ATOM 767 N GLU A 52 -0.272 -5.288 -8.857 1.00 0.00 N ATOM 768 CA GLU A 52 -1.712 -5.095 -8.882 1.00 0.00 C ATOM 769 C GLU A 52 -2.124 -4.036 -7.856 1.00 0.00 C ATOM 770 O GLU A 52 -1.631 -4.035 -6.729 1.00 0.00 O ATOM 771 CB GLU A 52 -2.447 -6.413 -8.634 1.00 0.00 C ATOM 772 CG GLU A 52 -2.958 -6.494 -7.194 1.00 0.00 C ATOM 773 CD GLU A 52 -3.456 -7.903 -6.867 1.00 0.00 C ATOM 774 OE1 GLU A 52 -2.696 -8.854 -7.154 1.00 0.00 O ATOM 775 OE2 GLU A 52 -4.584 -7.998 -6.338 1.00 0.00 O ATOM 0 H GLU A 52 0.095 -5.645 -7.975 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.994 -4.741 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.284 -6.502 -9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.778 -7.250 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.160 -6.218 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.766 -5.776 -7.050 1.00 0.00 H new ATOM 782 N VAL A 53 -3.022 -3.161 -8.284 1.00 0.00 N ATOM 783 CA VAL A 53 -3.505 -2.100 -7.417 1.00 0.00 C ATOM 784 C VAL A 53 -4.651 -2.634 -6.555 1.00 0.00 C ATOM 785 O VAL A 53 -5.746 -2.881 -7.056 1.00 0.00 O ATOM 786 CB VAL A 53 -3.903 -0.882 -8.252 1.00 0.00 C ATOM 787 CG1 VAL A 53 -3.395 -1.014 -9.690 1.00 0.00 C ATOM 788 CG2 VAL A 53 -5.417 -0.668 -8.223 1.00 0.00 C ATOM 0 H VAL A 53 -3.428 -3.165 -9.220 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.716 -1.770 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.433 -0.004 -7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.691 -0.135 -10.263 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.308 -1.095 -9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.824 -1.906 -10.147 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.673 0.204 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.917 -1.548 -8.629 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.742 -0.508 -7.195 1.00 0.00 H new ATOM 798 N LEU A 54 -4.358 -2.796 -5.273 1.00 0.00 N ATOM 799 CA LEU A 54 -5.351 -3.296 -4.336 1.00 0.00 C ATOM 800 C LEU A 54 -6.449 -2.246 -4.154 1.00 0.00 C ATOM 801 O LEU A 54 -7.621 -2.588 -4.010 1.00 0.00 O ATOM 802 CB LEU A 54 -4.684 -3.722 -3.026 1.00 0.00 C ATOM 803 CG LEU A 54 -3.651 -4.845 -3.134 1.00 0.00 C ATOM 804 CD1 LEU A 54 -3.172 -5.284 -1.749 1.00 0.00 C ATOM 805 CD2 LEU A 54 -4.199 -6.018 -3.950 1.00 0.00 C ATOM 0 H LEU A 54 -3.448 -2.590 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.829 -4.193 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.199 -2.850 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.462 -4.037 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.782 -4.460 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.438 -6.083 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.715 -4.437 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.021 -5.645 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.445 -6.802 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.093 -6.411 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.450 -5.677 -4.954 1.00 0.00 H new ATOM 817 N ASP A 55 -6.029 -0.989 -4.168 1.00 0.00 N ATOM 818 CA ASP A 55 -6.963 0.113 -4.006 1.00 0.00 C ATOM 819 C ASP A 55 -6.403 1.355 -4.701 1.00 0.00 C ATOM 820 O ASP A 55 -5.444 1.959 -4.224 1.00 0.00 O ATOM 821 CB ASP A 55 -7.166 0.450 -2.528 1.00 0.00 C ATOM 822 CG ASP A 55 -8.532 1.047 -2.183 1.00 0.00 C ATOM 823 OD1 ASP A 55 -9.125 1.668 -3.091 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.952 0.868 -1.019 1.00 0.00 O ATOM 0 H ASP A 55 -5.056 -0.709 -4.289 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.916 -0.186 -4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.024 -0.457 -1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.391 1.153 -2.221 1.00 0.00 H new ATOM 829 N PRO A 56 -7.043 1.710 -5.848 1.00 0.00 N ATOM 830 CA PRO A 56 -6.619 2.869 -6.614 1.00 0.00 C ATOM 831 C PRO A 56 -7.054 4.167 -5.930 1.00 0.00 C ATOM 832 O PRO A 56 -6.410 5.203 -6.089 1.00 0.00 O ATOM 833 CB PRO A 56 -7.244 2.684 -7.987 1.00 0.00 C ATOM 834 CG PRO A 56 -8.366 1.676 -7.801 1.00 0.00 C ATOM 835 CD PRO A 56 -8.182 1.018 -6.444 1.00 0.00 C ATOM 0 HA PRO A 56 -5.535 2.947 -6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.628 3.629 -8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.509 2.322 -8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.336 2.170 -7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.343 0.928 -8.594 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.075 1.123 -5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.988 -0.050 -6.545 1.00 0.00 H new ATOM 843 N ALA A 57 -8.143 4.068 -5.182 1.00 0.00 N ATOM 844 CA ALA A 57 -8.671 5.221 -4.473 1.00 0.00 C ATOM 845 C ALA A 57 -8.553 4.985 -2.966 1.00 0.00 C ATOM 846 O ALA A 57 -9.323 4.217 -2.392 1.00 0.00 O ATOM 847 CB ALA A 57 -10.115 5.473 -4.912 1.00 0.00 C ATOM 0 H ALA A 57 -8.674 3.207 -5.052 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.096 6.116 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.511 6.338 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.141 5.663 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.723 4.597 -4.684 1.00 0.00 H new ATOM 853 N VAL A 58 -7.583 5.661 -2.368 1.00 0.00 N ATOM 854 CA VAL A 58 -7.354 5.535 -0.938 1.00 0.00 C ATOM 855 C VAL A 58 -7.395 6.923 -0.295 1.00 0.00 C ATOM 856 O VAL A 58 -6.721 7.844 -0.754 1.00 0.00 O ATOM 857 CB VAL A 58 -6.039 4.796 -0.682 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.708 4.768 0.811 1.00 0.00 C ATOM 859 CG2 VAL A 58 -6.084 3.380 -1.260 1.00 0.00 C ATOM 0 H VAL A 58 -6.946 6.298 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.141 4.939 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.244 5.341 -1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.769 4.237 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.613 5.789 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.506 4.258 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.137 2.877 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.895 2.822 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.252 3.431 -2.336 1.00 0.00 H new ATOM 869 N ALA A 59 -8.193 7.029 0.757 1.00 0.00 N ATOM 870 CA ALA A 59 -8.331 8.289 1.468 1.00 0.00 C ATOM 871 C ALA A 59 -6.969 8.983 1.535 1.00 0.00 C ATOM 872 O ALA A 59 -5.969 8.362 1.893 1.00 0.00 O ATOM 873 CB ALA A 59 -8.923 8.030 2.855 1.00 0.00 C ATOM 0 H ALA A 59 -8.751 6.263 1.134 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.015 8.955 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.027 8.975 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.902 7.563 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.262 7.368 3.415 1.00 0.00 H new ATOM 879 N GLY A 60 -6.974 10.261 1.186 1.00 0.00 N ATOM 880 CA GLY A 60 -5.752 11.046 1.202 1.00 0.00 C ATOM 881 C GLY A 60 -5.322 11.362 2.636 1.00 0.00 C ATOM 882 O GLY A 60 -4.287 11.989 2.854 1.00 0.00 O ATOM 0 H GLY A 60 -7.806 10.772 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.958 10.500 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.905 11.974 0.651 1.00 0.00 H new ATOM 886 N THR A 61 -6.140 10.913 3.577 1.00 0.00 N ATOM 887 CA THR A 61 -5.857 11.140 4.984 1.00 0.00 C ATOM 888 C THR A 61 -5.490 9.825 5.674 1.00 0.00 C ATOM 889 O THR A 61 -4.755 9.821 6.661 1.00 0.00 O ATOM 890 CB THR A 61 -7.072 11.833 5.605 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.165 10.980 5.273 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.409 13.155 4.914 1.00 0.00 C ATOM 0 H THR A 61 -6.998 10.393 3.393 1.00 0.00 H new ATOM 0 HA THR A 61 -4.992 11.791 5.113 1.00 0.00 H new ATOM 0 HB THR A 61 -6.885 12.014 6.663 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.994 11.353 5.639 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.278 13.605 5.393 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.560 13.834 4.993 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.630 12.970 3.863 1.00 0.00 H new ATOM 900 N GLU A 62 -6.017 8.740 5.127 1.00 0.00 N ATOM 901 CA GLU A 62 -5.754 7.421 5.676 1.00 0.00 C ATOM 902 C GLU A 62 -4.251 7.219 5.875 1.00 0.00 C ATOM 903 O GLU A 62 -3.442 7.793 5.147 1.00 0.00 O ATOM 904 CB GLU A 62 -6.341 6.327 4.782 1.00 0.00 C ATOM 905 CG GLU A 62 -7.794 6.031 5.159 1.00 0.00 C ATOM 906 CD GLU A 62 -7.892 4.767 6.016 1.00 0.00 C ATOM 907 OE1 GLU A 62 -7.398 3.720 5.542 1.00 0.00 O ATOM 908 OE2 GLU A 62 -8.458 4.875 7.125 1.00 0.00 O ATOM 0 H GLU A 62 -6.626 8.747 4.308 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.242 7.350 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.289 6.638 3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.745 5.419 4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.212 6.877 5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.390 5.909 4.255 1.00 0.00 H new ATOM 915 N THR A 63 -3.921 6.401 6.864 1.00 0.00 N ATOM 916 CA THR A 63 -2.529 6.116 7.168 1.00 0.00 C ATOM 917 C THR A 63 -2.285 4.606 7.185 1.00 0.00 C ATOM 918 O THR A 63 -1.155 4.158 7.371 1.00 0.00 O ATOM 919 CB THR A 63 -2.184 6.803 8.491 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.423 6.845 9.194 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.810 8.275 8.307 1.00 0.00 C ATOM 0 H THR A 63 -4.594 5.926 7.465 1.00 0.00 H new ATOM 0 HA THR A 63 -1.867 6.511 6.398 1.00 0.00 H new ATOM 0 HB THR A 63 -1.358 6.276 8.969 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.794 5.940 9.258 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.574 8.714 9.276 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.941 8.351 7.653 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.648 8.810 7.860 1.00 0.00 H new ATOM 929 N GLU A 64 -3.364 3.862 6.988 1.00 0.00 N ATOM 930 CA GLU A 64 -3.281 2.412 6.979 1.00 0.00 C ATOM 931 C GLU A 64 -4.364 1.824 6.072 1.00 0.00 C ATOM 932 O GLU A 64 -5.280 2.531 5.654 1.00 0.00 O ATOM 933 CB GLU A 64 -3.388 1.847 8.397 1.00 0.00 C ATOM 934 CG GLU A 64 -2.347 2.483 9.320 1.00 0.00 C ATOM 935 CD GLU A 64 -2.814 3.856 9.809 1.00 0.00 C ATOM 936 OE1 GLU A 64 -4.005 4.163 9.587 1.00 0.00 O ATOM 937 OE2 GLU A 64 -1.968 4.568 10.392 1.00 0.00 O ATOM 0 H GLU A 64 -4.300 4.237 6.833 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.307 2.126 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.388 2.029 8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.247 0.766 8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.166 1.831 10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.400 2.584 8.790 1.00 0.00 H new ATOM 944 N LEU A 65 -4.223 0.537 5.793 1.00 0.00 N ATOM 945 CA LEU A 65 -5.178 -0.154 4.943 1.00 0.00 C ATOM 946 C LEU A 65 -5.123 -1.654 5.236 1.00 0.00 C ATOM 947 O LEU A 65 -4.056 -2.197 5.516 1.00 0.00 O ATOM 948 CB LEU A 65 -4.937 0.195 3.473 1.00 0.00 C ATOM 949 CG LEU A 65 -5.670 -0.673 2.448 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.106 -0.185 2.243 1.00 0.00 C ATOM 951 CD2 LEU A 65 -4.894 -0.740 1.131 1.00 0.00 C ATOM 0 H LEU A 65 -3.462 -0.046 6.140 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.193 0.177 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.228 1.233 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.867 0.130 3.276 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.728 -1.689 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.605 -0.819 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.645 -0.232 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.093 0.844 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.437 -1.363 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.783 0.264 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.908 -1.169 1.311 1.00 0.00 H new ATOM 963 N LEU A 66 -6.287 -2.283 5.160 1.00 0.00 N ATOM 964 CA LEU A 66 -6.385 -3.710 5.414 1.00 0.00 C ATOM 965 C LEU A 66 -6.724 -4.433 4.109 1.00 0.00 C ATOM 966 O LEU A 66 -7.692 -4.085 3.435 1.00 0.00 O ATOM 967 CB LEU A 66 -7.377 -3.987 6.545 1.00 0.00 C ATOM 968 CG LEU A 66 -7.548 -5.454 6.944 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.460 -5.885 7.930 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.953 -5.714 7.491 1.00 0.00 C ATOM 0 H LEU A 66 -7.170 -1.830 4.926 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.428 -4.102 5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.060 -3.427 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.351 -3.595 6.251 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.433 -6.066 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.605 -6.932 8.197 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.481 -5.761 7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.518 -5.270 8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.047 -6.764 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.122 -5.091 8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.692 -5.472 6.727 1.00 0.00 H new ATOM 982 N VAL A 67 -5.906 -5.427 3.791 1.00 0.00 N ATOM 983 CA VAL A 67 -6.107 -6.202 2.578 1.00 0.00 C ATOM 984 C VAL A 67 -6.380 -7.661 2.950 1.00 0.00 C ATOM 985 O VAL A 67 -5.455 -8.408 3.266 1.00 0.00 O ATOM 986 CB VAL A 67 -4.904 -6.037 1.647 1.00 0.00 C ATOM 987 CG1 VAL A 67 -5.008 -6.979 0.446 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.758 -4.584 1.193 1.00 0.00 C ATOM 0 H VAL A 67 -5.104 -5.713 4.352 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.977 -5.838 2.031 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.008 -6.305 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.141 -6.842 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.041 -8.011 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.916 -6.756 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.896 -4.494 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.658 -4.277 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.617 -3.943 2.063 1.00 0.00 H new ATOM 998 N PRO A 68 -7.687 -8.032 2.899 1.00 0.00 N ATOM 999 CA PRO A 68 -8.093 -9.388 3.227 1.00 0.00 C ATOM 1000 C PRO A 68 -7.738 -10.356 2.096 1.00 0.00 C ATOM 1001 O PRO A 68 -7.813 -11.571 2.267 1.00 0.00 O ATOM 1002 CB PRO A 68 -9.589 -9.300 3.485 1.00 0.00 C ATOM 1003 CG PRO A 68 -10.046 -8.000 2.843 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.809 -7.175 2.529 1.00 0.00 C ATOM 0 HA PRO A 68 -7.574 -9.782 4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.111 -10.154 3.053 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.802 -9.304 4.554 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.611 -8.202 1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.708 -7.454 3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.770 -6.906 1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.800 -6.244 3.096 1.00 0.00 H new ATOM 1012 N GLY A 69 -7.359 -9.779 0.964 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.993 -10.575 -0.195 1.00 0.00 C ATOM 1014 C GLY A 69 -5.868 -11.555 0.146 1.00 0.00 C ATOM 1015 O GLY A 69 -6.079 -12.515 0.886 1.00 0.00 O ATOM 0 H GLY A 69 -7.298 -8.770 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.863 -11.125 -0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.676 -9.919 -1.006 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.697 -11.278 -0.408 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.539 -12.123 -0.172 1.00 0.00 C ATOM 1021 C LEU A 70 -3.945 -13.590 -0.318 1.00 0.00 C ATOM 1022 O LEU A 70 -5.089 -13.891 -0.656 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.901 -11.792 1.179 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.404 -10.355 1.352 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -3.516 -9.350 1.046 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -1.810 -10.145 2.746 1.00 0.00 C ATOM 0 H LEU A 70 -4.525 -10.480 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.768 -11.930 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.629 -12.000 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.060 -12.468 1.337 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.605 -10.181 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.137 -8.337 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.853 -9.482 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.352 -9.515 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.464 -9.116 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.572 -10.345 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.970 -10.825 2.890 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.986 -14.466 -0.055 1.00 0.00 N ATOM 1039 CA ILE A 71 -3.230 -15.895 -0.153 1.00 0.00 C ATOM 1040 C ILE A 71 -2.399 -16.623 0.906 1.00 0.00 C ATOM 1041 O ILE A 71 -2.124 -16.072 1.971 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.974 -16.386 -1.579 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.214 -15.267 -2.595 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.810 -17.630 -1.888 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -3.186 -15.811 -4.025 1.00 0.00 C ATOM 0 H ILE A 71 -2.039 -14.213 0.226 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.277 -16.118 0.053 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.926 -16.674 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.177 -14.794 -2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.452 -14.497 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.610 -17.959 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.548 -18.427 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.869 -17.392 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.359 -14.996 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.214 -16.261 -4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.965 -16.564 -4.143 1.00 0.00 H new ATOM 1057 N LYS A 72 -2.023 -17.850 0.577 1.00 0.00 N ATOM 1058 CA LYS A 72 -1.230 -18.659 1.486 1.00 0.00 C ATOM 1059 C LYS A 72 -0.094 -19.327 0.709 1.00 0.00 C ATOM 1060 O LYS A 72 -0.297 -19.806 -0.406 1.00 0.00 O ATOM 1061 CB LYS A 72 -2.121 -19.646 2.242 1.00 0.00 C ATOM 1062 CG LYS A 72 -2.970 -20.472 1.272 1.00 0.00 C ATOM 1063 CD LYS A 72 -4.432 -20.513 1.722 1.00 0.00 C ATOM 1064 CE LYS A 72 -4.722 -21.783 2.525 1.00 0.00 C ATOM 1065 NZ LYS A 72 -5.375 -22.799 1.671 1.00 0.00 N ATOM 0 H LYS A 72 -2.253 -18.304 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.769 -18.032 2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.503 -20.310 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.771 -19.103 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.905 -20.044 0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.576 -21.486 1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.654 -19.636 2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.086 -20.472 0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.793 -22.184 2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.364 -21.545 3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.565 -23.654 2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.271 -22.420 1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.749 -23.038 0.876 1.00 0.00 H new ATOM 1079 N ASP A 73 1.078 -19.337 1.327 1.00 0.00 N ATOM 1080 CA ASP A 73 2.247 -19.938 0.707 1.00 0.00 C ATOM 1081 C ASP A 73 2.780 -19.002 -0.379 1.00 0.00 C ATOM 1082 O ASP A 73 3.255 -19.458 -1.418 1.00 0.00 O ATOM 1083 CB ASP A 73 1.895 -21.274 0.050 1.00 0.00 C ATOM 1084 CG ASP A 73 3.034 -22.295 0.012 1.00 0.00 C ATOM 1085 OD1 ASP A 73 4.142 -21.895 -0.406 1.00 0.00 O ATOM 1086 OD2 ASP A 73 2.770 -23.453 0.403 1.00 0.00 O ATOM 0 H ASP A 73 1.243 -18.938 2.251 1.00 0.00 H new ATOM 0 HA ASP A 73 2.994 -20.104 1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.051 -21.713 0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.563 -21.084 -0.971 1.00 0.00 H new ATOM 1091 N VAL A 74 2.684 -17.710 -0.101 1.00 0.00 N ATOM 1092 CA VAL A 74 3.152 -16.706 -1.042 1.00 0.00 C ATOM 1093 C VAL A 74 3.487 -15.420 -0.284 1.00 0.00 C ATOM 1094 O VAL A 74 2.901 -15.140 0.761 1.00 0.00 O ATOM 1095 CB VAL A 74 2.111 -16.496 -2.144 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.793 -17.813 -2.855 1.00 0.00 C ATOM 1097 CG2 VAL A 74 0.840 -15.855 -1.582 1.00 0.00 C ATOM 0 H VAL A 74 2.289 -17.335 0.762 1.00 0.00 H new ATOM 0 HA VAL A 74 4.065 -17.041 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 74 2.534 -15.812 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.051 -17.636 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.702 -18.213 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.399 -18.530 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.116 -15.717 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.413 -16.504 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.084 -14.888 -1.143 1.00 0.00 H new ATOM 1107 N LEU A 75 4.429 -14.672 -0.839 1.00 0.00 N ATOM 1108 CA LEU A 75 4.849 -13.422 -0.229 1.00 0.00 C ATOM 1109 C LEU A 75 4.234 -12.251 -0.998 1.00 0.00 C ATOM 1110 O LEU A 75 4.768 -11.829 -2.023 1.00 0.00 O ATOM 1111 CB LEU A 75 6.375 -13.360 -0.131 1.00 0.00 C ATOM 1112 CG LEU A 75 6.940 -12.562 1.046 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.071 -11.339 1.346 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.119 -13.453 2.277 1.00 0.00 C ATOM 0 H LEU A 75 4.914 -14.908 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 75 4.484 -13.357 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.757 -14.379 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.761 -12.930 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 75 7.928 -12.195 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.494 -10.789 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.038 -10.692 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.061 -11.663 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.522 -12.861 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.155 -13.869 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.808 -14.264 2.042 1.00 0.00 H new ATOM 1126 N TYR A 76 3.121 -11.760 -0.474 1.00 0.00 N ATOM 1127 CA TYR A 76 2.428 -10.646 -1.099 1.00 0.00 C ATOM 1128 C TYR A 76 3.075 -9.314 -0.716 1.00 0.00 C ATOM 1129 O TYR A 76 3.207 -9.000 0.466 1.00 0.00 O ATOM 1130 CB TYR A 76 0.998 -10.680 -0.554 1.00 0.00 C ATOM 1131 CG TYR A 76 -0.038 -11.190 -1.558 1.00 0.00 C ATOM 1132 CD1 TYR A 76 0.068 -12.467 -2.071 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -1.078 -10.372 -1.951 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -0.907 -12.946 -3.016 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -2.053 -10.852 -2.896 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.920 -12.115 -3.382 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.841 -12.568 -4.274 1.00 0.00 O ATOM 0 H TYR A 76 2.682 -12.113 0.376 1.00 0.00 H new ATOM 0 HA TYR A 76 2.464 -10.732 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.973 -11.314 0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.717 -9.676 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.882 -13.107 -1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.161 -9.373 -1.550 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.836 -13.943 -3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.872 -10.223 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.394 -13.103 -4.963 1.00 0.00 H new ATOM 1147 N GLU A 77 3.461 -8.565 -1.739 1.00 0.00 N ATOM 1148 CA GLU A 77 4.091 -7.273 -1.524 1.00 0.00 C ATOM 1149 C GLU A 77 3.036 -6.166 -1.495 1.00 0.00 C ATOM 1150 O GLU A 77 1.845 -6.435 -1.647 1.00 0.00 O ATOM 1151 CB GLU A 77 5.148 -6.994 -2.595 1.00 0.00 C ATOM 1152 CG GLU A 77 6.494 -7.612 -2.210 1.00 0.00 C ATOM 1153 CD GLU A 77 7.265 -8.064 -3.452 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.859 -9.097 -4.027 1.00 0.00 O ATOM 1155 OE2 GLU A 77 8.243 -7.366 -3.799 1.00 0.00 O ATOM 0 H GLU A 77 3.350 -8.828 -2.718 1.00 0.00 H new ATOM 0 HA GLU A 77 4.595 -7.293 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.818 -7.399 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.262 -5.918 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.086 -6.885 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.332 -8.463 -1.549 1.00 0.00 H new ATOM 1162 N PHE A 78 3.510 -4.945 -1.298 1.00 0.00 N ATOM 1163 CA PHE A 78 2.622 -3.796 -1.247 1.00 0.00 C ATOM 1164 C PHE A 78 3.405 -2.490 -1.402 1.00 0.00 C ATOM 1165 O PHE A 78 4.447 -2.309 -0.775 1.00 0.00 O ATOM 1166 CB PHE A 78 1.949 -3.812 0.127 1.00 0.00 C ATOM 1167 CG PHE A 78 1.138 -5.079 0.408 1.00 0.00 C ATOM 1168 CD1 PHE A 78 -0.165 -5.151 0.026 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.721 -6.134 1.039 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.918 -6.326 0.287 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.968 -7.309 1.299 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.335 -7.381 0.918 1.00 0.00 C ATOM 0 H PHE A 78 4.498 -4.726 -1.172 1.00 0.00 H new ATOM 0 HA PHE A 78 1.895 -3.851 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.714 -3.704 0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.291 -2.947 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.627 -4.314 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.756 -6.078 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.953 -6.382 -0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.431 -8.146 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.907 -8.275 1.116 1.00 0.00 H new ATOM 1182 N ARG A 79 2.872 -1.615 -2.242 1.00 0.00 N ATOM 1183 CA ARG A 79 3.507 -0.332 -2.488 1.00 0.00 C ATOM 1184 C ARG A 79 2.456 0.778 -2.553 1.00 0.00 C ATOM 1185 O ARG A 79 1.454 0.648 -3.255 1.00 0.00 O ATOM 1186 CB ARG A 79 4.300 -0.351 -3.796 1.00 0.00 C ATOM 1187 CG ARG A 79 3.362 -0.377 -5.005 1.00 0.00 C ATOM 1188 CD ARG A 79 4.130 -0.704 -6.288 1.00 0.00 C ATOM 1189 NE ARG A 79 3.618 0.119 -7.407 1.00 0.00 N ATOM 1190 CZ ARG A 79 4.008 -0.021 -8.681 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.916 -0.952 -9.006 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.491 0.770 -9.631 1.00 0.00 N ATOM 0 H ARG A 79 2.007 -1.770 -2.761 1.00 0.00 H new ATOM 0 HA ARG A 79 4.193 -0.139 -1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.943 0.528 -3.849 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.952 -1.224 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.579 -1.119 -4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.869 0.590 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.194 -0.515 -6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.024 -1.762 -6.526 1.00 0.00 H new ATOM 0 HE ARG A 79 2.925 0.837 -7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.310 -1.554 -8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.213 -1.058 -9.976 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.800 1.479 -9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.788 0.663 -10.601 1.00 0.00 H new ATOM 1206 N LEU A 80 2.719 1.844 -1.812 1.00 0.00 N ATOM 1207 CA LEU A 80 1.808 2.975 -1.776 1.00 0.00 C ATOM 1208 C LEU A 80 2.365 4.101 -2.650 1.00 0.00 C ATOM 1209 O LEU A 80 3.567 4.362 -2.639 1.00 0.00 O ATOM 1210 CB LEU A 80 1.532 3.396 -0.332 1.00 0.00 C ATOM 1211 CG LEU A 80 0.094 3.811 -0.017 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.904 2.793 -0.570 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.094 4.041 1.484 1.00 0.00 C ATOM 0 H LEU A 80 3.551 1.948 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 80 0.840 2.697 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.802 2.569 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.192 4.228 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.105 4.760 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.919 3.112 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.790 2.722 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.716 1.818 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.125 4.335 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.130 3.121 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.579 4.831 1.818 1.00 0.00 H new ATOM 1225 N VAL A 81 1.465 4.737 -3.385 1.00 0.00 N ATOM 1226 CA VAL A 81 1.852 5.828 -4.263 1.00 0.00 C ATOM 1227 C VAL A 81 0.883 6.997 -4.073 1.00 0.00 C ATOM 1228 O VAL A 81 -0.234 6.972 -4.587 1.00 0.00 O ATOM 1229 CB VAL A 81 1.920 5.337 -5.710 1.00 0.00 C ATOM 1230 CG1 VAL A 81 2.128 6.505 -6.676 1.00 0.00 C ATOM 1231 CG2 VAL A 81 3.015 4.283 -5.881 1.00 0.00 C ATOM 0 H VAL A 81 0.469 4.518 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 81 2.849 6.187 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 81 0.965 4.869 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.173 6.128 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.298 7.206 -6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.061 7.014 -6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.042 3.951 -6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.980 4.714 -5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.805 3.432 -5.233 1.00 0.00 H new ATOM 1241 N ALA A 82 1.347 7.994 -3.333 1.00 0.00 N ATOM 1242 CA ALA A 82 0.536 9.170 -3.069 1.00 0.00 C ATOM 1243 C ALA A 82 0.486 10.043 -4.325 1.00 0.00 C ATOM 1244 O ALA A 82 1.523 10.376 -4.895 1.00 0.00 O ATOM 1245 CB ALA A 82 1.101 9.920 -1.861 1.00 0.00 C ATOM 0 H ALA A 82 2.274 8.011 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.487 8.883 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.492 10.802 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.088 9.267 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.126 10.226 -2.070 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.731 10.387 -4.719 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.930 11.214 -5.897 1.00 0.00 C ATOM 1253 C PHE A 83 -1.871 12.382 -5.594 1.00 0.00 C ATOM 1254 O PHE A 83 -2.812 12.241 -4.815 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.569 10.325 -6.966 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.906 9.710 -6.546 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -4.043 10.455 -6.598 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -2.958 8.419 -6.121 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.284 9.885 -6.209 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.199 7.849 -5.731 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.335 8.594 -5.784 1.00 0.00 C ATOM 0 H PHE A 83 -1.589 10.108 -4.244 1.00 0.00 H new ATOM 0 HA PHE A 83 0.024 11.626 -6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.720 10.914 -7.871 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.875 9.523 -7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.002 11.480 -6.935 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.055 7.827 -6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.187 10.476 -6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.240 6.824 -5.392 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.279 8.160 -5.488 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.583 13.511 -6.227 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.391 14.703 -6.035 1.00 0.00 C ATOM 1273 C ALA A 84 -2.828 15.243 -7.398 1.00 0.00 C ATOM 1274 O ALA A 84 -2.029 15.838 -8.119 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.599 15.733 -5.227 1.00 0.00 C ATOM 0 H ALA A 84 -0.802 13.625 -6.873 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.292 14.468 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.206 16.627 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.338 15.311 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.688 15.995 -5.765 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.096 15.015 -7.710 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.648 15.471 -8.974 1.00 0.00 C ATOM 1283 C GLY A 85 -3.568 15.529 -10.056 1.00 0.00 C ATOM 1284 O GLY A 85 -2.897 16.547 -10.215 1.00 0.00 O ATOM 0 H GLY A 85 -4.756 14.521 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.447 14.800 -9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.092 16.458 -8.846 1.00 0.00 H new ATOM 1288 N SER A 86 -3.433 14.422 -10.772 1.00 0.00 N ATOM 1289 CA SER A 86 -2.446 14.334 -11.835 1.00 0.00 C ATOM 1290 C SER A 86 -1.095 13.903 -11.259 1.00 0.00 C ATOM 1291 O SER A 86 -0.554 12.867 -11.645 1.00 0.00 O ATOM 1292 CB SER A 86 -2.308 15.668 -12.571 1.00 0.00 C ATOM 1293 OG SER A 86 -2.065 15.487 -13.963 1.00 0.00 O ATOM 0 H SER A 86 -3.991 13.579 -10.637 1.00 0.00 H new ATOM 0 HA SER A 86 -2.783 13.587 -12.554 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.218 16.253 -12.435 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.492 16.241 -12.132 1.00 0.00 H new ATOM 0 HG SER A 86 -1.985 16.362 -14.398 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.590 14.719 -10.346 1.00 0.00 N ATOM 1300 CA PHE A 87 0.687 14.435 -9.714 1.00 0.00 C ATOM 1301 C PHE A 87 0.663 13.073 -9.017 1.00 0.00 C ATOM 1302 O PHE A 87 -0.228 12.798 -8.215 1.00 0.00 O ATOM 1303 CB PHE A 87 0.921 15.526 -8.667 1.00 0.00 C ATOM 1304 CG PHE A 87 1.093 16.927 -9.257 1.00 0.00 C ATOM 1305 CD1 PHE A 87 1.010 17.114 -10.602 1.00 0.00 C ATOM 1306 CD2 PHE A 87 1.330 17.986 -8.437 1.00 0.00 C ATOM 1307 CE1 PHE A 87 1.170 18.414 -11.149 1.00 0.00 C ATOM 1308 CE2 PHE A 87 1.490 19.286 -8.984 1.00 0.00 C ATOM 1309 CZ PHE A 87 1.407 19.473 -10.329 1.00 0.00 C ATOM 0 H PHE A 87 -1.042 15.577 -10.029 1.00 0.00 H new ATOM 0 HA PHE A 87 1.477 14.415 -10.465 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.081 15.536 -7.973 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.810 15.275 -8.088 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.822 16.273 -11.254 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.396 17.838 -7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.104 18.562 -12.217 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.678 20.127 -8.332 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.529 20.462 -10.745 1.00 0.00 H new ATOM 1319 N VAL A 88 1.653 12.256 -9.349 1.00 0.00 N ATOM 1320 CA VAL A 88 1.756 10.930 -8.765 1.00 0.00 C ATOM 1321 C VAL A 88 3.128 10.774 -8.105 1.00 0.00 C ATOM 1322 O VAL A 88 4.156 10.860 -8.775 1.00 0.00 O ATOM 1323 CB VAL A 88 1.480 9.866 -9.829 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.040 8.507 -9.405 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -0.016 9.772 -10.135 1.00 0.00 C ATOM 0 H VAL A 88 2.390 12.487 -10.015 1.00 0.00 H new ATOM 0 HA VAL A 88 1.004 10.795 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 88 1.991 10.167 -10.744 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.830 7.769 -10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.118 8.586 -9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.572 8.196 -8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.185 9.008 -10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.557 9.506 -9.227 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.373 10.734 -10.502 1.00 0.00 H new ATOM 1335 N SER A 89 3.099 10.547 -6.800 1.00 0.00 N ATOM 1336 CA SER A 89 4.327 10.378 -6.042 1.00 0.00 C ATOM 1337 C SER A 89 4.910 8.986 -6.295 1.00 0.00 C ATOM 1338 O SER A 89 4.237 8.118 -6.848 1.00 0.00 O ATOM 1339 CB SER A 89 4.085 10.588 -4.547 1.00 0.00 C ATOM 1340 OG SER A 89 3.534 9.430 -3.927 1.00 0.00 O ATOM 0 H SER A 89 2.244 10.476 -6.248 1.00 0.00 H new ATOM 0 HA SER A 89 5.041 11.131 -6.376 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.025 10.847 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.410 11.432 -4.404 1.00 0.00 H new ATOM 0 HG SER A 89 2.725 9.156 -4.407 1.00 0.00 H new ATOM 1346 N ASP A 90 6.157 8.817 -5.878 1.00 0.00 N ATOM 1347 CA ASP A 90 6.838 7.545 -6.052 1.00 0.00 C ATOM 1348 C ASP A 90 6.261 6.523 -5.070 1.00 0.00 C ATOM 1349 O ASP A 90 5.715 6.894 -4.032 1.00 0.00 O ATOM 1350 CB ASP A 90 8.335 7.679 -5.768 1.00 0.00 C ATOM 1351 CG ASP A 90 9.177 8.160 -6.952 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.619 8.190 -8.070 1.00 0.00 O ATOM 1353 OD2 ASP A 90 10.359 8.488 -6.712 1.00 0.00 O ATOM 0 H ASP A 90 6.713 9.540 -5.420 1.00 0.00 H new ATOM 0 HA ASP A 90 6.693 7.224 -7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.472 8.373 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.715 6.712 -5.440 1.00 0.00 H new ATOM 1358 N PRO A 91 6.405 5.223 -5.442 1.00 0.00 N ATOM 1359 CA PRO A 91 5.904 4.146 -4.606 1.00 0.00 C ATOM 1360 C PRO A 91 6.805 3.933 -3.388 1.00 0.00 C ATOM 1361 O PRO A 91 7.914 3.416 -3.514 1.00 0.00 O ATOM 1362 CB PRO A 91 5.845 2.933 -5.520 1.00 0.00 C ATOM 1363 CG PRO A 91 6.748 3.257 -6.700 1.00 0.00 C ATOM 1364 CD PRO A 91 7.046 4.747 -6.664 1.00 0.00 C ATOM 0 HA PRO A 91 4.921 4.361 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.186 2.036 -5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.824 2.742 -5.850 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.672 2.682 -6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.262 2.987 -7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.119 4.936 -6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.647 5.252 -7.543 1.00 0.00 H new ATOM 1372 N SER A 92 6.294 4.342 -2.235 1.00 0.00 N ATOM 1373 CA SER A 92 7.039 4.202 -0.996 1.00 0.00 C ATOM 1374 C SER A 92 7.666 2.809 -0.915 1.00 0.00 C ATOM 1375 O SER A 92 7.327 1.926 -1.702 1.00 0.00 O ATOM 1376 CB SER A 92 6.140 4.450 0.218 1.00 0.00 C ATOM 1377 OG SER A 92 4.929 3.704 0.146 1.00 0.00 O ATOM 0 H SER A 92 5.374 4.770 -2.134 1.00 0.00 H new ATOM 0 HA SER A 92 7.831 4.951 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.677 4.182 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.908 5.513 0.286 1.00 0.00 H new ATOM 0 HG SER A 92 4.398 3.864 0.954 1.00 0.00 H new ATOM 1383 N ASN A 93 8.569 2.655 0.042 1.00 0.00 N ATOM 1384 CA ASN A 93 9.246 1.384 0.235 1.00 0.00 C ATOM 1385 C ASN A 93 8.253 0.243 0.007 1.00 0.00 C ATOM 1386 O ASN A 93 7.050 0.415 0.195 1.00 0.00 O ATOM 1387 CB ASN A 93 9.790 1.261 1.659 1.00 0.00 C ATOM 1388 CG ASN A 93 8.735 1.674 2.687 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.286 2.807 2.733 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.365 0.693 3.507 1.00 0.00 N ATOM 0 H ASN A 93 8.848 3.390 0.692 1.00 0.00 H new ATOM 0 HA ASN A 93 10.074 1.331 -0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.102 0.233 1.845 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.675 1.888 1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.665 0.868 4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.781 -0.234 3.414 1.00 0.00 H new ATOM 1397 N THR A 94 8.794 -0.898 -0.395 1.00 0.00 N ATOM 1398 CA THR A 94 7.971 -2.068 -0.650 1.00 0.00 C ATOM 1399 C THR A 94 7.786 -2.880 0.634 1.00 0.00 C ATOM 1400 O THR A 94 8.755 -3.176 1.331 1.00 0.00 O ATOM 1401 CB THR A 94 8.619 -2.864 -1.784 1.00 0.00 C ATOM 1402 OG1 THR A 94 9.179 -1.866 -2.633 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.588 -3.569 -2.668 1.00 0.00 C ATOM 0 H THR A 94 9.792 -1.037 -0.550 1.00 0.00 H new ATOM 0 HA THR A 94 6.967 -1.784 -0.965 1.00 0.00 H new ATOM 0 HB THR A 94 9.303 -3.602 -1.364 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.621 -2.295 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.101 -4.119 -3.457 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.003 -4.262 -2.063 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.924 -2.828 -3.115 1.00 0.00 H new ATOM 1411 N ALA A 95 6.534 -3.218 0.907 1.00 0.00 N ATOM 1412 CA ALA A 95 6.210 -3.990 2.094 1.00 0.00 C ATOM 1413 C ALA A 95 5.964 -5.447 1.698 1.00 0.00 C ATOM 1414 O ALA A 95 5.468 -5.722 0.606 1.00 0.00 O ATOM 1415 CB ALA A 95 5.002 -3.365 2.795 1.00 0.00 C ATOM 0 H ALA A 95 5.732 -2.971 0.326 1.00 0.00 H new ATOM 0 HA ALA A 95 7.041 -3.976 2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.758 -3.944 3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.238 -2.340 3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.148 -3.365 2.118 1.00 0.00 H new ATOM 1421 N ASN A 96 6.322 -6.343 2.606 1.00 0.00 N ATOM 1422 CA ASN A 96 6.147 -7.765 2.366 1.00 0.00 C ATOM 1423 C ASN A 96 5.721 -8.449 3.666 1.00 0.00 C ATOM 1424 O ASN A 96 6.207 -8.102 4.742 1.00 0.00 O ATOM 1425 CB ASN A 96 7.453 -8.409 1.897 1.00 0.00 C ATOM 1426 CG ASN A 96 8.650 -7.843 2.664 1.00 0.00 C ATOM 1427 OD1 ASN A 96 8.564 -7.495 3.831 1.00 0.00 O ATOM 1428 ND2 ASN A 96 9.767 -7.769 1.946 1.00 0.00 N ATOM 0 H ASN A 96 6.733 -6.111 3.510 1.00 0.00 H new ATOM 0 HA ASN A 96 5.388 -7.886 1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.402 -9.488 2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.586 -8.235 0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.621 -7.404 2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.770 -8.078 0.974 1.00 0.00 H new ATOM 1435 N VAL A 97 4.819 -9.409 3.525 1.00 0.00 N ATOM 1436 CA VAL A 97 4.323 -10.145 4.675 1.00 0.00 C ATOM 1437 C VAL A 97 4.480 -11.646 4.421 1.00 0.00 C ATOM 1438 O VAL A 97 4.511 -12.085 3.272 1.00 0.00 O ATOM 1439 CB VAL A 97 2.879 -9.737 4.974 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.642 -8.265 4.630 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.890 -10.640 4.233 1.00 0.00 C ATOM 0 H VAL A 97 4.419 -9.694 2.631 1.00 0.00 H new ATOM 0 HA VAL A 97 4.906 -9.903 5.564 1.00 0.00 H new ATOM 0 HB VAL A 97 2.710 -9.862 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.608 -8.001 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.311 -7.641 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.838 -8.103 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.871 -10.329 4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.060 -10.562 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.034 -11.673 4.549 1.00 0.00 H new ATOM 1451 N SER A 98 4.575 -12.391 5.512 1.00 0.00 N ATOM 1452 CA SER A 98 4.728 -13.833 5.422 1.00 0.00 C ATOM 1453 C SER A 98 3.419 -14.524 5.810 1.00 0.00 C ATOM 1454 O SER A 98 2.733 -14.088 6.733 1.00 0.00 O ATOM 1455 CB SER A 98 5.871 -14.323 6.314 1.00 0.00 C ATOM 1456 OG SER A 98 6.018 -15.739 6.265 1.00 0.00 O ATOM 0 H SER A 98 4.549 -12.023 6.463 1.00 0.00 H new ATOM 0 HA SER A 98 4.974 -14.086 4.391 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.802 -13.851 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.686 -14.013 7.343 1.00 0.00 H new ATOM 0 HG SER A 98 6.759 -16.011 6.846 1.00 0.00 H new