USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 620 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 59 ASN : amide:sc= 0.211 K(o=-1.6,f=-12!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.81 K(o=-1.6,f=-4.5!) USER MOD Set 2.1: A 16 SER OG : rot -162:sc= -1.13 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.684 K(o=-0.44,f=-5.9!) USER MOD Set 3.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 49 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-0.81) USER MOD Set 4.1: A 24 ASN : amide:sc=-0.00209 K(o=0.45,f=-2.3) USER MOD Set 4.2: A 78 GLN : amide:sc= 0.455 K(o=0.45,f=-0.49) USER MOD Single : A 7 ASN : amide:sc= -0.527 K(o=-0.53,f=-1.4) USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= -0.0532 (180deg=-0.384) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.329 USER MOD Single : A 14 MET CE :methyl -179:sc= -0.85 (180deg=-0.856) USER MOD Single : A 15 ASN : amide:sc= 0.989 K(o=0.99,f=-2.9!) USER MOD Single : A 22 ASN : amide:sc= 0.758 K(o=0.76,f=-0.043) USER MOD Single : A 25 THR OG1 : rot 70:sc= 0.62 USER MOD Single : A 29 LYS NZ :NH3+ 137:sc= 0.645 (180deg=-0.102) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0186 USER MOD Single : A 38 SER OG : rot -31:sc= 0.283 USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= 1.06 (180deg=0.755) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -130:sc= -2.61! USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.032 (180deg=-0.36) USER MOD Single : A 57 TYR OH : rot -1:sc= 0.836 USER MOD Single : A 74 MET CE :methyl -131:sc= -0.065 (180deg=-1.01) USER MOD Single : A 83 ASN : amide:sc= 0.475 K(o=0.48,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -4.203 11.711 6.614 1.00 0.00 N ATOM 68 CA ASN A 7 -4.778 11.639 7.956 1.00 0.00 C ATOM 69 C ASN A 7 -5.325 12.979 8.454 1.00 0.00 C ATOM 70 O ASN A 7 -5.380 13.220 9.659 1.00 0.00 O ATOM 71 CB ASN A 7 -3.756 11.036 8.920 1.00 0.00 C ATOM 72 CG ASN A 7 -4.364 10.663 10.263 1.00 0.00 C ATOM 73 OD1 ASN A 7 -5.552 10.356 10.364 1.00 0.00 O ATOM 74 ND2 ASN A 7 -3.546 10.686 11.308 1.00 0.00 N ATOM 0 HA ASN A 7 -5.648 10.984 7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.315 10.148 8.467 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.947 11.749 9.078 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.896 10.444 12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.567 10.946 11.184 1.00 0.00 H new ATOM 81 N LYS A 8 -5.733 13.867 7.542 1.00 0.00 N ATOM 82 CA LYS A 8 -6.379 15.120 7.922 1.00 0.00 C ATOM 83 C LYS A 8 -7.773 14.817 8.471 1.00 0.00 C ATOM 84 O LYS A 8 -8.272 13.704 8.316 1.00 0.00 O ATOM 85 CB LYS A 8 -6.441 16.067 6.720 1.00 0.00 C ATOM 86 CG LYS A 8 -5.157 16.879 6.512 1.00 0.00 C ATOM 87 CD LYS A 8 -3.886 16.036 6.370 1.00 0.00 C ATOM 88 CE LYS A 8 -3.257 15.663 7.717 1.00 0.00 C ATOM 89 NZ LYS A 8 -2.763 16.856 8.430 1.00 0.00 N ATOM 0 H LYS A 8 -5.626 13.738 6.536 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.800 15.617 8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.643 15.486 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.278 16.753 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.272 17.493 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.033 17.560 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.122 15.124 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.157 16.586 5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.993 15.148 8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.434 14.967 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.039 16.573 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.349 17.522 7.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.553 17.316 8.926 1.00 0.00 H new ATOM 103 N THR A 9 -8.405 15.801 9.112 1.00 0.00 N ATOM 104 CA THR A 9 -9.700 15.600 9.759 1.00 0.00 C ATOM 105 C THR A 9 -10.711 16.669 9.354 1.00 0.00 C ATOM 106 O THR A 9 -11.661 16.942 10.084 1.00 0.00 O ATOM 107 CB THR A 9 -9.533 15.513 11.279 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.881 16.668 11.756 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.705 14.282 11.654 1.00 0.00 C ATOM 0 H THR A 9 -8.038 16.749 9.197 1.00 0.00 H new ATOM 0 HA THR A 9 -10.105 14.649 9.413 1.00 0.00 H new ATOM 0 HB THR A 9 -10.522 15.434 11.731 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.778 16.608 12.729 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.595 14.234 12.737 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.209 13.383 11.300 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.720 14.351 11.192 1.00 0.00 H new ATOM 117 N ASP A 10 -10.510 17.283 8.183 1.00 0.00 N ATOM 118 CA ASP A 10 -11.403 18.309 7.674 1.00 0.00 C ATOM 119 C ASP A 10 -12.776 17.717 7.344 1.00 0.00 C ATOM 120 O ASP A 10 -12.877 16.523 7.061 1.00 0.00 O ATOM 121 CB ASP A 10 -10.769 18.958 6.445 1.00 0.00 C ATOM 122 CG ASP A 10 -9.498 19.721 6.812 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.632 20.877 7.270 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.405 19.139 6.631 1.00 0.00 O ATOM 0 H ASP A 10 -9.723 17.077 7.568 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.555 19.071 8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.535 18.191 5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.483 19.639 5.982 1.00 0.00 H new ATOM 129 N PRO A 11 -13.839 18.536 7.374 1.00 0.00 N ATOM 130 CA PRO A 11 -15.215 18.102 7.184 1.00 0.00 C ATOM 131 C PRO A 11 -15.486 17.557 5.781 1.00 0.00 C ATOM 132 O PRO A 11 -16.577 17.045 5.528 1.00 0.00 O ATOM 133 CB PRO A 11 -16.070 19.336 7.473 1.00 0.00 C ATOM 134 CG PRO A 11 -15.137 20.500 7.159 1.00 0.00 C ATOM 135 CD PRO A 11 -13.785 19.965 7.617 1.00 0.00 C ATOM 0 HA PRO A 11 -15.447 17.270 7.848 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.964 19.359 6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.404 19.358 8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.138 20.747 6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.420 21.405 7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.970 20.428 7.062 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.614 20.179 8.672 1.00 0.00 H new ATOM 143 N ARG A 12 -14.519 17.655 4.864 1.00 0.00 N ATOM 144 CA ARG A 12 -14.647 17.101 3.520 1.00 0.00 C ATOM 145 C ARG A 12 -13.564 16.063 3.244 1.00 0.00 C ATOM 146 O ARG A 12 -13.757 15.183 2.412 1.00 0.00 O ATOM 147 CB ARG A 12 -14.649 18.241 2.490 1.00 0.00 C ATOM 148 CG ARG A 12 -13.290 18.944 2.367 1.00 0.00 C ATOM 149 CD ARG A 12 -12.380 18.251 1.347 1.00 0.00 C ATOM 150 NE ARG A 12 -11.025 18.810 1.383 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.605 19.836 0.635 1.00 0.00 C ATOM 152 NH1 ARG A 12 -11.425 20.439 -0.221 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.351 20.261 0.749 1.00 0.00 N ATOM 0 H ARG A 12 -13.628 18.121 5.036 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.598 16.574 3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.935 17.842 1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.406 18.974 2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.443 19.982 2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.799 18.959 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.341 17.182 1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.797 18.365 0.346 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.355 18.386 2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.389 20.120 -0.314 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.089 21.220 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.716 19.805 1.404 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.024 21.043 0.182 1.00 0.00 H new ATOM 167 N SER A 13 -12.427 16.163 3.935 1.00 0.00 N ATOM 168 CA SER A 13 -11.321 15.233 3.748 1.00 0.00 C ATOM 169 C SER A 13 -11.578 13.926 4.487 1.00 0.00 C ATOM 170 O SER A 13 -10.962 12.909 4.176 1.00 0.00 O ATOM 171 CB SER A 13 -10.018 15.870 4.221 1.00 0.00 C ATOM 172 OG SER A 13 -9.784 17.077 3.527 1.00 0.00 O ATOM 0 H SER A 13 -12.251 16.886 4.633 1.00 0.00 H new ATOM 0 HA SER A 13 -11.236 15.005 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.067 16.062 5.293 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.188 15.182 4.058 1.00 0.00 H new ATOM 0 HG SER A 13 -8.946 17.477 3.840 1.00 0.00 H new ATOM 178 N MET A 14 -12.484 13.949 5.468 1.00 0.00 N ATOM 179 CA MET A 14 -12.899 12.752 6.184 1.00 0.00 C ATOM 180 C MET A 14 -13.835 11.897 5.335 1.00 0.00 C ATOM 181 O MET A 14 -14.092 10.744 5.677 1.00 0.00 O ATOM 182 CB MET A 14 -13.588 13.164 7.487 1.00 0.00 C ATOM 183 CG MET A 14 -12.553 13.515 8.553 1.00 0.00 C ATOM 184 SD MET A 14 -12.244 12.201 9.770 1.00 0.00 S ATOM 185 CE MET A 14 -11.902 10.784 8.689 1.00 0.00 C ATOM 0 H MET A 14 -12.947 14.801 5.784 1.00 0.00 H new ATOM 0 HA MET A 14 -12.018 12.151 6.407 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.237 14.021 7.306 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.223 12.352 7.842 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.613 13.764 8.060 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.883 14.410 9.080 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.712 9.900 9.297 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.762 10.603 8.044 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.027 10.997 8.075 1.00 0.00 H new ATOM 195 N ASN A 15 -14.349 12.451 4.233 1.00 0.00 N ATOM 196 CA ASN A 15 -15.260 11.735 3.355 1.00 0.00 C ATOM 197 C ASN A 15 -14.786 11.738 1.901 1.00 0.00 C ATOM 198 O ASN A 15 -15.467 11.194 1.035 1.00 0.00 O ATOM 199 CB ASN A 15 -16.688 12.263 3.512 1.00 0.00 C ATOM 200 CG ASN A 15 -16.740 13.777 3.623 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.850 14.483 2.627 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.661 14.280 4.848 1.00 0.00 N ATOM 0 H ASN A 15 -14.143 13.403 3.931 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.264 10.688 3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.286 11.944 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.140 11.821 4.400 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.691 15.290 4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.570 13.657 5.650 1.00 0.00 H new ATOM 209 N SER A 16 -13.625 12.340 1.622 1.00 0.00 N ATOM 210 CA SER A 16 -12.979 12.248 0.317 1.00 0.00 C ATOM 211 C SER A 16 -11.833 11.237 0.384 1.00 0.00 C ATOM 212 O SER A 16 -10.997 11.164 -0.514 1.00 0.00 O ATOM 213 CB SER A 16 -12.507 13.623 -0.140 1.00 0.00 C ATOM 214 OG SER A 16 -11.432 14.059 0.660 1.00 0.00 O ATOM 0 H SER A 16 -13.110 12.904 2.298 1.00 0.00 H new ATOM 0 HA SER A 16 -13.695 11.894 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.199 13.581 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.329 14.337 -0.078 1.00 0.00 H new ATOM 0 HG SER A 16 -11.322 15.028 0.561 1.00 0.00 H new ATOM 220 N ARG A 17 -11.800 10.452 1.466 1.00 0.00 N ATOM 221 CA ARG A 17 -10.755 9.482 1.754 1.00 0.00 C ATOM 222 C ARG A 17 -11.291 8.060 1.649 1.00 0.00 C ATOM 223 O ARG A 17 -12.489 7.829 1.803 1.00 0.00 O ATOM 224 CB ARG A 17 -10.226 9.789 3.150 1.00 0.00 C ATOM 225 CG ARG A 17 -9.044 8.909 3.551 1.00 0.00 C ATOM 226 CD ARG A 17 -8.547 9.373 4.917 1.00 0.00 C ATOM 227 NE ARG A 17 -8.238 10.804 4.862 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.299 11.642 5.893 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.593 11.220 7.116 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.058 12.930 5.686 1.00 0.00 N ATOM 0 H ARG A 17 -12.525 10.480 2.183 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.946 9.555 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.924 10.835 3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.031 9.658 3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.346 7.862 3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.247 8.983 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.306 9.182 5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.660 8.809 5.204 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.953 11.188 3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.779 10.231 7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.633 11.884 7.889 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.831 13.262 4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.100 13.588 6.464 1.00 0.00 H new ATOM 244 N VAL A 18 -10.392 7.110 1.384 1.00 0.00 N ATOM 245 CA VAL A 18 -10.734 5.702 1.273 1.00 0.00 C ATOM 246 C VAL A 18 -9.908 4.886 2.254 1.00 0.00 C ATOM 247 O VAL A 18 -8.687 5.026 2.300 1.00 0.00 O ATOM 248 CB VAL A 18 -10.479 5.213 -0.156 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.967 3.775 -0.323 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.181 6.095 -1.185 1.00 0.00 C ATOM 0 H VAL A 18 -9.401 7.304 1.240 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.791 5.576 1.509 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.403 5.263 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.778 3.443 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.435 3.127 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.036 3.728 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.977 5.718 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.256 6.081 -1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.812 7.117 -1.100 1.00 0.00 H new ATOM 260 N PHE A 19 -10.579 4.036 3.031 1.00 0.00 N ATOM 261 CA PHE A 19 -9.926 3.078 3.904 1.00 0.00 C ATOM 262 C PHE A 19 -9.844 1.749 3.159 1.00 0.00 C ATOM 263 O PHE A 19 -10.817 1.348 2.523 1.00 0.00 O ATOM 264 CB PHE A 19 -10.720 2.952 5.205 1.00 0.00 C ATOM 265 CG PHE A 19 -10.219 1.879 6.147 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.854 1.777 6.455 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.129 0.981 6.719 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.404 0.775 7.329 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.680 -0.017 7.593 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.316 -0.127 7.898 1.00 0.00 C ATOM 0 H PHE A 19 -11.598 3.998 3.068 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.919 3.401 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.698 3.911 5.723 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.762 2.745 4.961 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.149 2.470 6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.181 1.058 6.485 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.353 0.698 7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.387 -0.704 8.034 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.969 -0.901 8.567 1.00 0.00 H new ATOM 280 N ILE A 20 -8.695 1.072 3.231 1.00 0.00 N ATOM 281 CA ILE A 20 -8.486 -0.188 2.530 1.00 0.00 C ATOM 282 C ILE A 20 -7.919 -1.203 3.512 1.00 0.00 C ATOM 283 O ILE A 20 -6.704 -1.334 3.646 1.00 0.00 O ATOM 284 CB ILE A 20 -7.536 0.028 1.341 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.050 1.145 0.422 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.409 -1.281 0.550 1.00 0.00 C ATOM 287 CD1 ILE A 20 -6.981 1.566 -0.585 1.00 0.00 C ATOM 0 H ILE A 20 -7.890 1.383 3.775 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.430 -0.565 2.137 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.560 0.326 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.939 0.803 -0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.348 2.005 1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.736 -1.132 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.010 -2.061 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.391 -1.581 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.373 2.358 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.103 1.930 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.703 0.710 -1.200 1.00 0.00 H new ATOM 299 N GLY A 21 -8.806 -1.921 4.202 1.00 0.00 N ATOM 300 CA GLY A 21 -8.417 -2.887 5.220 1.00 0.00 C ATOM 301 C GLY A 21 -8.273 -4.301 4.668 1.00 0.00 C ATOM 302 O GLY A 21 -8.648 -4.569 3.529 1.00 0.00 O ATOM 0 H GLY A 21 -9.814 -1.846 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.472 -2.578 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.160 -2.887 6.017 1.00 0.00 H new ATOM 306 N ASN A 22 -7.724 -5.201 5.492 1.00 0.00 N ATOM 307 CA ASN A 22 -7.515 -6.606 5.166 1.00 0.00 C ATOM 308 C ASN A 22 -6.683 -6.776 3.888 1.00 0.00 C ATOM 309 O ASN A 22 -6.722 -7.820 3.240 1.00 0.00 O ATOM 310 CB ASN A 22 -8.863 -7.335 5.128 1.00 0.00 C ATOM 311 CG ASN A 22 -8.702 -8.842 5.293 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.606 -9.338 6.412 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.668 -9.581 4.192 1.00 0.00 N ATOM 0 H ASN A 22 -7.405 -4.959 6.430 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.920 -7.074 5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.506 -6.950 5.920 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.362 -7.125 4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.559 -10.593 4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.750 -9.137 3.277 1.00 0.00 H new ATOM 320 N LEU A 23 -5.923 -5.743 3.521 1.00 0.00 N ATOM 321 CA LEU A 23 -5.139 -5.715 2.298 1.00 0.00 C ATOM 322 C LEU A 23 -3.910 -6.611 2.415 1.00 0.00 C ATOM 323 O LEU A 23 -3.334 -6.747 3.494 1.00 0.00 O ATOM 324 CB LEU A 23 -4.749 -4.257 2.030 1.00 0.00 C ATOM 325 CG LEU A 23 -3.883 -4.049 0.783 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.587 -4.525 -0.486 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.586 -2.556 0.645 1.00 0.00 C ATOM 0 H LEU A 23 -5.838 -4.892 4.077 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.723 -6.102 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.658 -3.664 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.213 -3.872 2.897 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.969 -4.631 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.938 -4.359 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.812 -5.588 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.514 -3.968 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.970 -2.388 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.522 -2.007 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.054 -2.207 1.530 1.00 0.00 H new ATOM 339 N ASN A 24 -3.499 -7.223 1.300 1.00 0.00 N ATOM 340 CA ASN A 24 -2.256 -7.976 1.244 1.00 0.00 C ATOM 341 C ASN A 24 -1.113 -6.979 1.066 1.00 0.00 C ATOM 342 O ASN A 24 -0.810 -6.562 -0.051 1.00 0.00 O ATOM 343 CB ASN A 24 -2.315 -8.986 0.099 1.00 0.00 C ATOM 344 CG ASN A 24 -0.981 -9.706 -0.064 1.00 0.00 C ATOM 345 OD1 ASN A 24 -0.735 -10.739 0.554 1.00 0.00 O ATOM 346 ND2 ASN A 24 -0.104 -9.162 -0.902 1.00 0.00 N ATOM 0 H ASN A 24 -4.018 -7.207 0.422 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.095 -8.541 2.162 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.104 -9.713 0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.572 -8.475 -0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.804 -9.603 -1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.339 -8.303 -1.400 1.00 0.00 H new ATOM 353 N THR A 25 -0.483 -6.601 2.174 1.00 0.00 N ATOM 354 CA THR A 25 0.545 -5.571 2.189 1.00 0.00 C ATOM 355 C THR A 25 1.953 -6.147 2.070 1.00 0.00 C ATOM 356 O THR A 25 2.929 -5.419 2.247 1.00 0.00 O ATOM 357 CB THR A 25 0.366 -4.700 3.431 1.00 0.00 C ATOM 358 OG1 THR A 25 0.499 -5.483 4.596 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.040 -4.094 3.404 1.00 0.00 C ATOM 0 H THR A 25 -0.674 -7.004 3.091 1.00 0.00 H new ATOM 0 HA THR A 25 0.424 -4.944 1.306 1.00 0.00 H new ATOM 0 HB THR A 25 1.124 -3.917 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.433 -5.762 4.698 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.184 -3.469 4.285 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.158 -3.488 2.506 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.781 -4.894 3.402 1.00 0.00 H new ATOM 367 N LEU A 26 2.075 -7.445 1.772 1.00 0.00 N ATOM 368 CA LEU A 26 3.383 -8.062 1.595 1.00 0.00 C ATOM 369 C LEU A 26 3.858 -7.961 0.147 1.00 0.00 C ATOM 370 O LEU A 26 5.035 -8.186 -0.130 1.00 0.00 O ATOM 371 CB LEU A 26 3.359 -9.539 1.999 1.00 0.00 C ATOM 372 CG LEU A 26 2.683 -9.855 3.334 1.00 0.00 C ATOM 373 CD1 LEU A 26 3.133 -11.259 3.739 1.00 0.00 C ATOM 374 CD2 LEU A 26 3.054 -8.878 4.447 1.00 0.00 C ATOM 0 H LEU A 26 1.287 -8.080 1.650 1.00 0.00 H new ATOM 0 HA LEU A 26 4.073 -7.518 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.853 -10.102 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.386 -9.902 2.039 1.00 0.00 H new ATOM 0 HG LEU A 26 1.604 -9.776 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.674 -11.528 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.829 -11.973 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.218 -11.278 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.540 -9.161 5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.131 -8.905 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.756 -7.869 4.160 1.00 0.00 H new ATOM 386 N VAL A 27 2.948 -7.631 -0.780 1.00 0.00 N ATOM 387 CA VAL A 27 3.261 -7.590 -2.204 1.00 0.00 C ATOM 388 C VAL A 27 2.751 -6.298 -2.834 1.00 0.00 C ATOM 389 O VAL A 27 3.249 -5.893 -3.883 1.00 0.00 O ATOM 390 CB VAL A 27 2.656 -8.817 -2.902 1.00 0.00 C ATOM 391 CG1 VAL A 27 3.097 -8.897 -4.363 1.00 0.00 C ATOM 392 CG2 VAL A 27 3.102 -10.108 -2.211 1.00 0.00 C ATOM 0 H VAL A 27 1.982 -7.388 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 27 4.344 -7.613 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 27 1.573 -8.709 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.652 -9.776 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.770 -8.001 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.183 -8.971 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.662 -10.965 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.189 -10.183 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.773 -10.097 -1.172 1.00 0.00 H new ATOM 402 N VAL A 28 1.766 -5.637 -2.214 1.00 0.00 N ATOM 403 CA VAL A 28 1.274 -4.361 -2.707 1.00 0.00 C ATOM 404 C VAL A 28 2.194 -3.247 -2.211 1.00 0.00 C ATOM 405 O VAL A 28 2.892 -3.414 -1.213 1.00 0.00 O ATOM 406 CB VAL A 28 -0.182 -4.149 -2.269 1.00 0.00 C ATOM 407 CG1 VAL A 28 -0.249 -3.360 -0.969 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.975 -3.398 -3.334 1.00 0.00 C ATOM 0 H VAL A 28 1.299 -5.971 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 28 1.283 -4.349 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.618 -5.137 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.291 -3.223 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.277 -3.905 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.219 -2.386 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.002 -3.263 -2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.519 -2.423 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.971 -3.970 -4.262 1.00 0.00 H new ATOM 418 N LYS A 29 2.194 -2.107 -2.901 1.00 0.00 N ATOM 419 CA LYS A 29 2.986 -0.946 -2.521 1.00 0.00 C ATOM 420 C LYS A 29 2.211 0.331 -2.825 1.00 0.00 C ATOM 421 O LYS A 29 1.142 0.287 -3.429 1.00 0.00 O ATOM 422 CB LYS A 29 4.345 -0.942 -3.230 1.00 0.00 C ATOM 423 CG LYS A 29 4.283 -1.515 -4.648 1.00 0.00 C ATOM 424 CD LYS A 29 4.664 -2.999 -4.631 1.00 0.00 C ATOM 425 CE LYS A 29 4.243 -3.686 -5.925 1.00 0.00 C ATOM 426 NZ LYS A 29 4.847 -3.049 -7.108 1.00 0.00 N ATOM 0 H LYS A 29 1.639 -1.966 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 29 3.179 -0.996 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.723 0.080 -3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.057 -1.520 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.279 -1.394 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.960 -0.965 -5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.741 -3.100 -4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.188 -3.491 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.534 -4.736 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.157 -3.659 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.183 -3.783 -7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.137 -2.458 -7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.649 -2.456 -6.812 1.00 0.00 H new ATOM 440 N LYS A 30 2.758 1.475 -2.407 1.00 0.00 N ATOM 441 CA LYS A 30 2.133 2.769 -2.644 1.00 0.00 C ATOM 442 C LYS A 30 1.939 3.009 -4.138 1.00 0.00 C ATOM 443 O LYS A 30 0.967 3.647 -4.536 1.00 0.00 O ATOM 444 CB LYS A 30 3.018 3.861 -2.041 1.00 0.00 C ATOM 445 CG LYS A 30 2.392 5.224 -2.318 1.00 0.00 C ATOM 446 CD LYS A 30 3.197 6.328 -1.642 1.00 0.00 C ATOM 447 CE LYS A 30 2.532 7.667 -1.957 1.00 0.00 C ATOM 448 NZ LYS A 30 3.291 8.796 -1.398 1.00 0.00 N ATOM 0 H LYS A 30 3.641 1.526 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 30 1.150 2.788 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.124 3.708 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.019 3.813 -2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.352 5.401 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.365 5.240 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.234 6.166 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.226 6.321 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.446 7.785 -3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.519 7.674 -1.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.810 9.688 -1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.352 8.696 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.249 8.804 -1.802 1.00 0.00 H new ATOM 462 N SER A 31 2.860 2.494 -4.958 1.00 0.00 N ATOM 463 CA SER A 31 2.831 2.667 -6.402 1.00 0.00 C ATOM 464 C SER A 31 1.812 1.736 -7.051 1.00 0.00 C ATOM 465 O SER A 31 1.543 1.854 -8.248 1.00 0.00 O ATOM 466 CB SER A 31 4.232 2.443 -6.970 1.00 0.00 C ATOM 467 OG SER A 31 4.675 1.138 -6.667 1.00 0.00 O ATOM 0 H SER A 31 3.651 1.941 -4.629 1.00 0.00 H new ATOM 0 HA SER A 31 2.519 3.686 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.223 2.591 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.923 3.176 -6.554 1.00 0.00 H new ATOM 0 HG SER A 31 5.573 1.003 -7.036 1.00 0.00 H new ATOM 473 N ASP A 32 1.243 0.813 -6.272 1.00 0.00 N ATOM 474 CA ASP A 32 0.183 -0.061 -6.733 1.00 0.00 C ATOM 475 C ASP A 32 -1.168 0.490 -6.295 1.00 0.00 C ATOM 476 O ASP A 32 -2.131 0.425 -7.049 1.00 0.00 O ATOM 477 CB ASP A 32 0.412 -1.471 -6.183 1.00 0.00 C ATOM 478 CG ASP A 32 1.259 -2.320 -7.129 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.288 -1.806 -7.615 1.00 0.00 O ATOM 480 OD2 ASP A 32 0.866 -3.486 -7.355 1.00 0.00 O ATOM 0 H ASP A 32 1.512 0.657 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 32 0.190 -0.110 -7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.905 -1.407 -5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.550 -1.958 -6.020 1.00 0.00 H new ATOM 485 N VAL A 33 -1.258 1.042 -5.081 1.00 0.00 N ATOM 486 CA VAL A 33 -2.524 1.566 -4.591 1.00 0.00 C ATOM 487 C VAL A 33 -2.908 2.817 -5.372 1.00 0.00 C ATOM 488 O VAL A 33 -4.092 3.066 -5.591 1.00 0.00 O ATOM 489 CB VAL A 33 -2.435 1.826 -3.083 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.735 2.426 -2.554 1.00 0.00 C ATOM 491 CG2 VAL A 33 -2.198 0.502 -2.357 1.00 0.00 C ATOM 0 H VAL A 33 -0.477 1.134 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.313 0.830 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.616 2.523 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.645 2.601 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.932 3.371 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.557 1.735 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.134 0.682 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.024 -0.178 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.266 0.057 -2.707 1.00 0.00 H new ATOM 501 N GLU A 34 -1.926 3.614 -5.807 1.00 0.00 N ATOM 502 CA GLU A 34 -2.207 4.780 -6.633 1.00 0.00 C ATOM 503 C GLU A 34 -2.412 4.385 -8.094 1.00 0.00 C ATOM 504 O GLU A 34 -2.582 5.250 -8.950 1.00 0.00 O ATOM 505 CB GLU A 34 -1.123 5.846 -6.461 1.00 0.00 C ATOM 506 CG GLU A 34 0.194 5.462 -7.138 1.00 0.00 C ATOM 507 CD GLU A 34 1.275 6.519 -6.910 1.00 0.00 C ATOM 508 OE1 GLU A 34 0.909 7.675 -6.597 1.00 0.00 O ATOM 509 OE2 GLU A 34 2.466 6.163 -7.052 1.00 0.00 O ATOM 0 H GLU A 34 -0.938 3.470 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.144 5.223 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.478 6.790 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.946 6.011 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.536 4.502 -6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.030 5.334 -8.208 1.00 0.00 H new ATOM 516 N ALA A 35 -2.396 3.080 -8.388 1.00 0.00 N ATOM 517 CA ALA A 35 -2.618 2.559 -9.725 1.00 0.00 C ATOM 518 C ALA A 35 -3.864 1.668 -9.777 1.00 0.00 C ATOM 519 O ALA A 35 -4.291 1.262 -10.858 1.00 0.00 O ATOM 520 CB ALA A 35 -1.368 1.792 -10.155 1.00 0.00 C ATOM 0 H ALA A 35 -2.226 2.355 -7.691 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.798 3.384 -10.414 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.514 1.392 -11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.510 2.464 -10.154 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.187 0.972 -9.460 1.00 0.00 H new ATOM 526 N ILE A 36 -4.449 1.368 -8.612 1.00 0.00 N ATOM 527 CA ILE A 36 -5.649 0.548 -8.497 1.00 0.00 C ATOM 528 C ILE A 36 -6.860 1.412 -8.147 1.00 0.00 C ATOM 529 O ILE A 36 -7.997 1.010 -8.382 1.00 0.00 O ATOM 530 CB ILE A 36 -5.378 -0.541 -7.450 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.300 -1.500 -7.974 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.640 -1.347 -7.130 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.673 -2.286 -6.824 1.00 0.00 C ATOM 0 H ILE A 36 -4.094 1.695 -7.714 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.886 0.070 -9.448 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.044 -0.047 -6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.739 -2.189 -8.696 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.529 -0.937 -8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.407 -2.108 -6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.408 -0.680 -6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.004 -1.828 -8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.912 -2.960 -7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.215 -1.594 -6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.444 -2.866 -6.317 1.00 0.00 H new ATOM 545 N PHE A 37 -6.624 2.603 -7.584 1.00 0.00 N ATOM 546 CA PHE A 37 -7.694 3.508 -7.177 1.00 0.00 C ATOM 547 C PHE A 37 -7.710 4.784 -8.020 1.00 0.00 C ATOM 548 O PHE A 37 -8.644 5.575 -7.922 1.00 0.00 O ATOM 549 CB PHE A 37 -7.554 3.806 -5.682 1.00 0.00 C ATOM 550 CG PHE A 37 -7.895 2.626 -4.802 1.00 0.00 C ATOM 551 CD1 PHE A 37 -7.033 1.520 -4.731 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.084 2.630 -4.058 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.369 0.418 -3.933 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.423 1.527 -3.263 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.561 0.421 -3.198 1.00 0.00 C ATOM 0 H PHE A 37 -5.687 2.962 -7.400 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.656 3.025 -7.350 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.531 4.120 -5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.203 4.643 -5.423 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.110 1.518 -5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.741 3.486 -4.098 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.708 -0.435 -3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.346 1.528 -2.701 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.817 -0.428 -2.581 1.00 0.00 H new ATOM 565 N SER A 38 -6.687 5.001 -8.854 1.00 0.00 N ATOM 566 CA SER A 38 -6.636 6.185 -9.704 1.00 0.00 C ATOM 567 C SER A 38 -7.574 6.041 -10.906 1.00 0.00 C ATOM 568 O SER A 38 -7.778 6.995 -11.653 1.00 0.00 O ATOM 569 CB SER A 38 -5.189 6.436 -10.120 1.00 0.00 C ATOM 570 OG SER A 38 -5.084 7.628 -10.870 1.00 0.00 O ATOM 0 H SER A 38 -5.889 4.373 -8.955 1.00 0.00 H new ATOM 0 HA SER A 38 -6.988 7.054 -9.148 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.557 6.501 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.824 5.596 -10.711 1.00 0.00 H new ATOM 0 HG SER A 38 -5.910 7.769 -11.378 1.00 0.00 H new ATOM 576 N LYS A 39 -8.155 4.851 -11.096 1.00 0.00 N ATOM 577 CA LYS A 39 -9.109 4.599 -12.170 1.00 0.00 C ATOM 578 C LYS A 39 -10.527 5.024 -11.778 1.00 0.00 C ATOM 579 O LYS A 39 -11.432 4.987 -12.606 1.00 0.00 O ATOM 580 CB LYS A 39 -9.075 3.117 -12.553 1.00 0.00 C ATOM 581 CG LYS A 39 -9.557 2.242 -11.392 1.00 0.00 C ATOM 582 CD LYS A 39 -9.660 0.781 -11.830 1.00 0.00 C ATOM 583 CE LYS A 39 -10.203 -0.039 -10.656 1.00 0.00 C ATOM 584 NZ LYS A 39 -10.461 -1.437 -11.044 1.00 0.00 N ATOM 0 H LYS A 39 -7.974 4.038 -10.507 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.819 5.200 -13.032 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.705 2.948 -13.427 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.060 2.832 -12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.867 2.328 -10.553 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.528 2.593 -11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.319 0.690 -12.693 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.683 0.407 -12.134 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.488 -0.015 -9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.125 0.414 -10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.054 -1.894 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.953 -1.458 -11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.558 -1.947 -11.124 1.00 0.00 H new ATOM 598 N TYR A 40 -10.715 5.425 -10.518 1.00 0.00 N ATOM 599 CA TYR A 40 -12.014 5.818 -9.989 1.00 0.00 C ATOM 600 C TYR A 40 -12.015 7.259 -9.488 1.00 0.00 C ATOM 601 O TYR A 40 -13.054 7.751 -9.048 1.00 0.00 O ATOM 602 CB TYR A 40 -12.423 4.846 -8.879 1.00 0.00 C ATOM 603 CG TYR A 40 -13.156 3.622 -9.377 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.326 3.779 -10.141 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.680 2.337 -9.076 1.00 0.00 C ATOM 606 CE1 TYR A 40 -15.015 2.655 -10.610 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.373 1.207 -9.540 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.541 1.363 -10.312 1.00 0.00 C ATOM 609 OH TYR A 40 -15.209 0.266 -10.771 1.00 0.00 O ATOM 0 H TYR A 40 -9.960 5.485 -9.834 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.744 5.771 -10.797 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.530 4.529 -8.340 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.057 5.371 -8.165 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.694 4.769 -10.366 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.782 2.217 -8.488 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.911 2.778 -11.201 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.010 0.217 -9.305 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.746 -0.546 -10.476 1.00 0.00 H new ATOM 619 N GLY A 41 -10.869 7.943 -9.545 1.00 0.00 N ATOM 620 CA GLY A 41 -10.807 9.330 -9.113 1.00 0.00 C ATOM 621 C GLY A 41 -9.389 9.883 -9.130 1.00 0.00 C ATOM 622 O GLY A 41 -8.420 9.132 -9.253 1.00 0.00 O ATOM 0 H GLY A 41 -9.986 7.560 -9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.438 9.938 -9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.213 9.412 -8.105 1.00 0.00 H new ATOM 626 N LYS A 42 -9.269 11.210 -9.007 1.00 0.00 N ATOM 627 CA LYS A 42 -7.976 11.871 -8.941 1.00 0.00 C ATOM 628 C LYS A 42 -7.421 11.736 -7.532 1.00 0.00 C ATOM 629 O LYS A 42 -7.980 12.295 -6.589 1.00 0.00 O ATOM 630 CB LYS A 42 -8.127 13.345 -9.330 1.00 0.00 C ATOM 631 CG LYS A 42 -6.874 14.160 -8.997 1.00 0.00 C ATOM 632 CD LYS A 42 -5.620 13.625 -9.690 1.00 0.00 C ATOM 633 CE LYS A 42 -4.404 14.365 -9.134 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.153 13.891 -9.757 1.00 0.00 N ATOM 0 H LYS A 42 -10.065 11.846 -8.951 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.282 11.405 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.333 13.418 -10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.985 13.771 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.032 15.198 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.718 14.155 -7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.521 12.553 -9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.692 13.771 -10.768 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.516 15.435 -9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.352 14.222 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.347 14.413 -9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.035 12.875 -9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.194 14.050 -10.784 1.00 0.00 H new ATOM 648 N ILE A 43 -6.321 10.995 -7.387 1.00 0.00 N ATOM 649 CA ILE A 43 -5.655 10.851 -6.105 1.00 0.00 C ATOM 650 C ILE A 43 -4.696 12.023 -5.924 1.00 0.00 C ATOM 651 O ILE A 43 -3.847 12.276 -6.777 1.00 0.00 O ATOM 652 CB ILE A 43 -4.939 9.496 -6.030 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.984 8.377 -6.142 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.172 9.381 -4.712 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.383 6.975 -6.015 1.00 0.00 C ATOM 0 H ILE A 43 -5.876 10.485 -8.150 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.380 10.869 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.225 9.409 -6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.738 8.514 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.495 8.461 -7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.667 8.416 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.433 10.180 -4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.868 9.465 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.174 6.231 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.650 6.820 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.896 6.874 -5.045 1.00 0.00 H new ATOM 667 N VAL A 44 -4.837 12.735 -4.804 1.00 0.00 N ATOM 668 CA VAL A 44 -3.983 13.865 -4.458 1.00 0.00 C ATOM 669 C VAL A 44 -3.128 13.531 -3.238 1.00 0.00 C ATOM 670 O VAL A 44 -2.349 14.358 -2.769 1.00 0.00 O ATOM 671 CB VAL A 44 -4.816 15.131 -4.257 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.316 15.637 -5.607 1.00 0.00 C ATOM 673 CG2 VAL A 44 -6.021 14.877 -3.351 1.00 0.00 C ATOM 0 H VAL A 44 -5.555 12.539 -4.107 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.302 14.063 -5.286 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.176 15.874 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.909 16.539 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.465 15.863 -6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.932 14.870 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.588 15.800 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.659 14.115 -3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.677 14.535 -2.375 1.00 0.00 H new ATOM 683 N GLY A 45 -3.271 12.309 -2.722 1.00 0.00 N ATOM 684 CA GLY A 45 -2.451 11.802 -1.638 1.00 0.00 C ATOM 685 C GLY A 45 -2.748 10.328 -1.412 1.00 0.00 C ATOM 686 O GLY A 45 -3.878 9.887 -1.602 1.00 0.00 O ATOM 0 H GLY A 45 -3.968 11.642 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.396 11.937 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.648 12.366 -0.726 1.00 0.00 H new ATOM 690 N CYS A 46 -1.744 9.553 -1.007 1.00 0.00 N ATOM 691 CA CYS A 46 -1.931 8.140 -0.716 1.00 0.00 C ATOM 692 C CYS A 46 -0.830 7.636 0.209 1.00 0.00 C ATOM 693 O CYS A 46 0.262 8.201 0.259 1.00 0.00 O ATOM 694 CB CYS A 46 -1.974 7.345 -2.023 1.00 0.00 C ATOM 695 SG CYS A 46 -0.497 7.689 -3.010 1.00 0.00 S ATOM 0 H CYS A 46 -0.789 9.886 -0.873 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.881 8.000 -0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.036 6.278 -1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.868 7.608 -2.588 1.00 0.00 H new ATOM 0 HG CYS A 46 -0.848 7.991 -4.225 1.00 0.00 H new ATOM 701 N SER A 47 -1.119 6.561 0.940 1.00 0.00 N ATOM 702 CA SER A 47 -0.163 5.943 1.843 1.00 0.00 C ATOM 703 C SER A 47 -0.508 4.469 2.031 1.00 0.00 C ATOM 704 O SER A 47 -1.641 4.057 1.788 1.00 0.00 O ATOM 705 CB SER A 47 -0.182 6.677 3.184 1.00 0.00 C ATOM 706 OG SER A 47 0.835 6.168 4.019 1.00 0.00 O ATOM 0 H SER A 47 -2.027 6.096 0.919 1.00 0.00 H new ATOM 0 HA SER A 47 0.839 6.011 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.036 7.746 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.154 6.555 3.663 1.00 0.00 H new ATOM 0 HG SER A 47 0.821 6.641 4.877 1.00 0.00 H new ATOM 712 N VAL A 48 0.468 3.666 2.461 1.00 0.00 N ATOM 713 CA VAL A 48 0.273 2.237 2.651 1.00 0.00 C ATOM 714 C VAL A 48 0.933 1.804 3.958 1.00 0.00 C ATOM 715 O VAL A 48 1.956 2.357 4.359 1.00 0.00 O ATOM 716 CB VAL A 48 0.841 1.467 1.455 1.00 0.00 C ATOM 717 CG1 VAL A 48 0.654 -0.042 1.620 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.143 1.898 0.162 1.00 0.00 C ATOM 0 H VAL A 48 1.409 3.991 2.685 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.792 2.014 2.714 1.00 0.00 H new ATOM 0 HB VAL A 48 1.906 1.694 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.068 -0.557 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.169 -0.376 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.409 -0.270 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.558 1.342 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.925 1.695 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.298 2.965 0.003 1.00 0.00 H new ATOM 728 N HIS A 49 0.337 0.809 4.619 1.00 0.00 N ATOM 729 CA HIS A 49 0.763 0.349 5.932 1.00 0.00 C ATOM 730 C HIS A 49 0.670 -1.174 5.996 1.00 0.00 C ATOM 731 O HIS A 49 0.463 -1.822 4.969 1.00 0.00 O ATOM 732 CB HIS A 49 -0.138 0.996 6.987 1.00 0.00 C ATOM 733 CG HIS A 49 -0.314 2.480 6.789 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.461 3.481 7.380 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.261 3.064 5.996 1.00 0.00 C ATOM 736 CE1 HIS A 49 -0.042 4.642 6.923 1.00 0.00 C ATOM 737 NE2 HIS A 49 -1.077 4.423 6.094 1.00 0.00 N ATOM 0 H HIS A 49 -0.464 0.298 4.249 1.00 0.00 H new ATOM 0 HA HIS A 49 1.798 0.633 6.120 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.116 0.515 6.965 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.284 0.816 7.976 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.010 2.556 5.406 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.335 5.619 7.187 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.629 5.139 5.621 1.00 0.00 H new ATOM 745 N LYS A 50 0.821 -1.761 7.184 1.00 0.00 N ATOM 746 CA LYS A 50 0.634 -3.197 7.359 1.00 0.00 C ATOM 747 C LYS A 50 -0.856 -3.506 7.479 1.00 0.00 C ATOM 748 O LYS A 50 -1.552 -2.909 8.293 1.00 0.00 O ATOM 749 CB LYS A 50 1.381 -3.684 8.602 1.00 0.00 C ATOM 750 CG LYS A 50 2.868 -3.946 8.336 1.00 0.00 C ATOM 751 CD LYS A 50 3.038 -5.149 7.398 1.00 0.00 C ATOM 752 CE LYS A 50 4.501 -5.584 7.305 1.00 0.00 C ATOM 753 NZ LYS A 50 5.002 -6.077 8.598 1.00 0.00 N ATOM 0 H LYS A 50 1.072 -1.262 8.037 1.00 0.00 H new ATOM 0 HA LYS A 50 1.039 -3.719 6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.283 -2.941 9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.915 -4.600 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.326 -3.062 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.385 -4.134 9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.432 -5.981 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.670 -4.892 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.602 -6.366 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.111 -4.743 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.856 -6.650 8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.233 -5.270 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.272 -6.661 9.054 1.00 0.00 H new ATOM 767 N GLY A 51 -1.334 -4.443 6.661 1.00 0.00 N ATOM 768 CA GLY A 51 -2.713 -4.912 6.676 1.00 0.00 C ATOM 769 C GLY A 51 -3.726 -3.901 6.140 1.00 0.00 C ATOM 770 O GLY A 51 -4.871 -4.271 5.884 1.00 0.00 O ATOM 0 H GLY A 51 -0.759 -4.905 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.781 -5.825 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.985 -5.174 7.699 1.00 0.00 H new ATOM 774 N PHE A 52 -3.340 -2.633 5.960 1.00 0.00 N ATOM 775 CA PHE A 52 -4.240 -1.630 5.407 1.00 0.00 C ATOM 776 C PHE A 52 -3.483 -0.580 4.603 1.00 0.00 C ATOM 777 O PHE A 52 -2.256 -0.517 4.637 1.00 0.00 O ATOM 778 CB PHE A 52 -5.044 -0.939 6.511 1.00 0.00 C ATOM 779 CG PHE A 52 -4.210 -0.193 7.522 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.701 -0.859 8.644 1.00 0.00 C ATOM 781 CD2 PHE A 52 -3.945 1.171 7.338 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.921 -0.165 9.579 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.166 1.862 8.273 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.648 1.195 9.390 1.00 0.00 C ATOM 0 H PHE A 52 -2.410 -2.283 6.191 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.925 -2.155 4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.743 -0.241 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.639 -1.689 7.033 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.910 -1.909 8.789 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.341 1.688 6.476 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.531 -0.679 10.445 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.964 2.914 8.133 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.039 1.729 10.104 1.00 0.00 H new ATOM 794 N ALA A 53 -4.231 0.252 3.880 1.00 0.00 N ATOM 795 CA ALA A 53 -3.693 1.364 3.120 1.00 0.00 C ATOM 796 C ALA A 53 -4.714 2.499 3.092 1.00 0.00 C ATOM 797 O ALA A 53 -5.877 2.301 3.447 1.00 0.00 O ATOM 798 CB ALA A 53 -3.345 0.892 1.711 1.00 0.00 C ATOM 0 H ALA A 53 -5.245 0.165 3.809 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.782 1.737 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.940 1.726 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.603 0.096 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.243 0.517 1.221 1.00 0.00 H new ATOM 804 N PHE A 54 -4.278 3.687 2.672 1.00 0.00 N ATOM 805 CA PHE A 54 -5.138 4.859 2.619 1.00 0.00 C ATOM 806 C PHE A 54 -4.952 5.626 1.313 1.00 0.00 C ATOM 807 O PHE A 54 -3.857 5.690 0.755 1.00 0.00 O ATOM 808 CB PHE A 54 -4.872 5.761 3.827 1.00 0.00 C ATOM 809 CG PHE A 54 -5.742 5.433 5.016 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.098 5.783 4.984 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.211 4.787 6.142 1.00 0.00 C ATOM 812 CE1 PHE A 54 -7.930 5.481 6.069 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.045 4.479 7.228 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.401 4.828 7.187 1.00 0.00 C ATOM 0 H PHE A 54 -3.322 3.859 2.361 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.175 4.524 2.654 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.825 5.672 4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.036 6.800 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.503 6.288 4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.163 4.527 6.173 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.975 5.751 6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.642 3.974 8.093 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.042 4.591 8.024 1.00 0.00 H new ATOM 824 N VAL A 55 -6.048 6.213 0.834 1.00 0.00 N ATOM 825 CA VAL A 55 -6.062 7.023 -0.371 1.00 0.00 C ATOM 826 C VAL A 55 -6.867 8.287 -0.112 1.00 0.00 C ATOM 827 O VAL A 55 -7.910 8.241 0.538 1.00 0.00 O ATOM 828 CB VAL A 55 -6.658 6.229 -1.540 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.762 7.103 -2.791 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.778 5.023 -1.870 1.00 0.00 C ATOM 0 H VAL A 55 -6.961 6.135 1.282 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.042 7.298 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.651 5.896 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.187 6.520 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.404 7.959 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.769 7.453 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.215 4.470 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.781 5.365 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.710 4.373 -0.998 1.00 0.00 H new ATOM 840 N GLN A 56 -6.373 9.414 -0.625 1.00 0.00 N ATOM 841 CA GLN A 56 -6.991 10.714 -0.462 1.00 0.00 C ATOM 842 C GLN A 56 -7.347 11.278 -1.834 1.00 0.00 C ATOM 843 O GLN A 56 -6.469 11.626 -2.623 1.00 0.00 O ATOM 844 CB GLN A 56 -6.014 11.615 0.301 1.00 0.00 C ATOM 845 CG GLN A 56 -6.604 12.984 0.636 1.00 0.00 C ATOM 846 CD GLN A 56 -7.718 12.863 1.665 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.466 12.790 2.865 1.00 0.00 O ATOM 848 NE2 GLN A 56 -8.960 12.841 1.199 1.00 0.00 N ATOM 0 H GLN A 56 -5.515 9.441 -1.175 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.916 10.647 0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.715 11.118 1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.111 11.750 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.820 13.637 1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.991 13.448 -0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.129 12.904 0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.746 12.761 1.845 1.00 0.00 H new ATOM 857 N TYR A 57 -8.648 11.362 -2.108 1.00 0.00 N ATOM 858 CA TYR A 57 -9.165 11.921 -3.349 1.00 0.00 C ATOM 859 C TYR A 57 -9.407 13.421 -3.194 1.00 0.00 C ATOM 860 O TYR A 57 -9.150 13.995 -2.138 1.00 0.00 O ATOM 861 CB TYR A 57 -10.466 11.227 -3.746 1.00 0.00 C ATOM 862 CG TYR A 57 -10.328 9.816 -4.269 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.450 9.535 -5.324 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.114 8.794 -3.719 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.389 8.240 -5.865 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.064 7.501 -4.258 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.208 7.227 -5.337 1.00 0.00 C ATOM 868 OH TYR A 57 -10.180 5.976 -5.872 1.00 0.00 O ATOM 0 H TYR A 57 -9.375 11.041 -1.469 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.425 11.759 -4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.125 11.209 -2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.959 11.830 -4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.819 10.316 -5.722 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.759 9.003 -2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.717 8.024 -6.682 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.682 6.718 -3.845 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.552 5.956 -6.624 1.00 0.00 H new ATOM 878 N VAL A 58 -9.906 14.055 -4.261 1.00 0.00 N ATOM 879 CA VAL A 58 -10.180 15.485 -4.265 1.00 0.00 C ATOM 880 C VAL A 58 -11.541 15.778 -3.633 1.00 0.00 C ATOM 881 O VAL A 58 -11.755 16.870 -3.109 1.00 0.00 O ATOM 882 CB VAL A 58 -10.130 15.997 -5.711 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.460 17.488 -5.795 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.726 15.799 -6.280 1.00 0.00 C ATOM 0 H VAL A 58 -10.128 13.588 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.425 16.000 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.870 15.433 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.414 17.813 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.463 17.661 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.738 18.054 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.695 16.164 -7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.007 16.353 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.473 14.739 -6.264 1.00 0.00 H new ATOM 894 N ASN A 59 -12.465 14.812 -3.677 1.00 0.00 N ATOM 895 CA ASN A 59 -13.816 15.010 -3.175 1.00 0.00 C ATOM 896 C ASN A 59 -14.462 13.696 -2.729 1.00 0.00 C ATOM 897 O ASN A 59 -13.891 12.617 -2.889 1.00 0.00 O ATOM 898 CB ASN A 59 -14.658 15.669 -4.271 1.00 0.00 C ATOM 899 CG ASN A 59 -14.702 14.811 -5.521 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.190 13.688 -5.495 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.188 15.327 -6.629 1.00 0.00 N ATOM 0 H ASN A 59 -12.293 13.882 -4.059 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.767 15.654 -2.297 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.671 15.834 -3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.243 16.647 -4.513 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.192 14.785 -7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.789 16.266 -6.617 1.00 0.00 H new ATOM 908 N GLU A 60 -15.668 13.809 -2.168 1.00 0.00 N ATOM 909 CA GLU A 60 -16.428 12.687 -1.631 1.00 0.00 C ATOM 910 C GLU A 60 -16.952 11.769 -2.733 1.00 0.00 C ATOM 911 O GLU A 60 -17.063 10.562 -2.539 1.00 0.00 O ATOM 912 CB GLU A 60 -17.586 13.271 -0.821 1.00 0.00 C ATOM 913 CG GLU A 60 -18.673 12.233 -0.544 1.00 0.00 C ATOM 914 CD GLU A 60 -19.737 12.785 0.401 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.302 13.855 0.081 1.00 0.00 O ATOM 916 OE2 GLU A 60 -19.980 12.133 1.439 1.00 0.00 O ATOM 0 H GLU A 60 -16.150 14.703 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.781 12.072 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.207 13.660 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.018 14.113 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.138 11.931 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.224 11.340 -0.108 1.00 0.00 H new ATOM 923 N ARG A 61 -17.271 12.342 -3.893 1.00 0.00 N ATOM 924 CA ARG A 61 -17.791 11.608 -5.031 1.00 0.00 C ATOM 925 C ARG A 61 -16.770 10.576 -5.510 1.00 0.00 C ATOM 926 O ARG A 61 -17.128 9.458 -5.872 1.00 0.00 O ATOM 927 CB ARG A 61 -18.152 12.661 -6.088 1.00 0.00 C ATOM 928 CG ARG A 61 -17.878 12.252 -7.534 1.00 0.00 C ATOM 929 CD ARG A 61 -18.788 11.115 -7.982 1.00 0.00 C ATOM 930 NE ARG A 61 -20.189 11.548 -8.071 1.00 0.00 N ATOM 931 CZ ARG A 61 -21.216 10.720 -8.277 1.00 0.00 C ATOM 932 NH1 ARG A 61 -21.021 9.413 -8.428 1.00 0.00 N ATOM 933 NH2 ARG A 61 -22.454 11.205 -8.333 1.00 0.00 N ATOM 0 H ARG A 61 -17.172 13.343 -4.064 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.680 11.027 -4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.210 12.903 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.595 13.573 -5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.021 13.112 -8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.837 11.945 -7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.458 10.745 -8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.707 10.285 -7.280 1.00 0.00 H new ATOM 0 HE ARG A 61 -20.390 12.543 -7.969 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.076 9.030 -8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.816 8.793 -8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -22.615 12.206 -8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.241 10.576 -8.490 1.00 0.00 H new ATOM 947 N ASN A 62 -15.492 10.951 -5.513 1.00 0.00 N ATOM 948 CA ASN A 62 -14.419 10.068 -5.942 1.00 0.00 C ATOM 949 C ASN A 62 -14.242 8.916 -4.946 1.00 0.00 C ATOM 950 O ASN A 62 -13.926 7.794 -5.344 1.00 0.00 O ATOM 951 CB ASN A 62 -13.132 10.893 -6.060 1.00 0.00 C ATOM 952 CG ASN A 62 -13.057 11.685 -7.360 1.00 0.00 C ATOM 953 OD1 ASN A 62 -12.036 11.674 -8.039 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.124 12.382 -7.731 1.00 0.00 N ATOM 0 H ASN A 62 -15.176 11.875 -5.218 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.661 9.629 -6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.068 11.580 -5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.271 10.227 -5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.105 12.922 -8.596 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.963 12.377 -7.151 1.00 0.00 H new ATOM 961 N ALA A 63 -14.446 9.175 -3.652 1.00 0.00 N ATOM 962 CA ALA A 63 -14.288 8.136 -2.642 1.00 0.00 C ATOM 963 C ALA A 63 -15.353 7.058 -2.786 1.00 0.00 C ATOM 964 O ALA A 63 -15.035 5.875 -2.692 1.00 0.00 O ATOM 965 CB ALA A 63 -14.343 8.749 -1.245 1.00 0.00 C ATOM 0 H ALA A 63 -14.718 10.087 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.315 7.668 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.224 7.964 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.540 9.478 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.304 9.243 -1.102 1.00 0.00 H new ATOM 971 N ARG A 64 -16.611 7.444 -3.018 1.00 0.00 N ATOM 972 CA ARG A 64 -17.697 6.479 -3.142 1.00 0.00 C ATOM 973 C ARG A 64 -17.599 5.728 -4.464 1.00 0.00 C ATOM 974 O ARG A 64 -18.179 4.653 -4.604 1.00 0.00 O ATOM 975 CB ARG A 64 -19.033 7.198 -2.995 1.00 0.00 C ATOM 976 CG ARG A 64 -19.112 7.828 -1.604 1.00 0.00 C ATOM 977 CD ARG A 64 -20.461 8.515 -1.411 1.00 0.00 C ATOM 978 NE ARG A 64 -20.487 9.279 -0.157 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.584 8.754 1.067 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.686 7.442 1.255 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.573 9.559 2.124 1.00 0.00 N ATOM 0 H ARG A 64 -16.898 8.417 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.619 5.737 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.133 7.966 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.855 6.497 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.974 7.061 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -18.306 8.551 -1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.658 9.181 -2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -21.256 7.769 -1.403 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.426 10.295 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.691 6.811 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.759 7.066 2.201 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.491 10.568 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.647 9.168 3.063 1.00 0.00 H new ATOM 995 N ALA A 65 -16.866 6.282 -5.431 1.00 0.00 N ATOM 996 CA ALA A 65 -16.625 5.608 -6.695 1.00 0.00 C ATOM 997 C ALA A 65 -15.736 4.384 -6.487 1.00 0.00 C ATOM 998 O ALA A 65 -15.976 3.338 -7.087 1.00 0.00 O ATOM 999 CB ALA A 65 -15.956 6.580 -7.668 1.00 0.00 C ATOM 0 H ALA A 65 -16.429 7.201 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.577 5.276 -7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.774 6.077 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.608 7.438 -7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -15.008 6.919 -7.250 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.708 4.498 -5.637 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.811 3.379 -5.380 1.00 0.00 C ATOM 1007 C ALA A 66 -14.273 2.530 -4.194 1.00 0.00 C ATOM 1008 O ALA A 66 -14.001 1.332 -4.152 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.406 3.920 -5.149 1.00 0.00 C ATOM 0 H ALA A 66 -14.483 5.349 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.817 2.721 -6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.724 3.092 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.075 4.463 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.412 4.593 -4.292 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.975 3.138 -3.234 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.507 2.419 -2.084 1.00 0.00 C ATOM 1017 C VAL A 67 -16.639 1.487 -2.517 1.00 0.00 C ATOM 1018 O VAL A 67 -16.969 0.541 -1.803 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.955 3.419 -1.012 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.902 2.784 0.004 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.728 3.944 -0.274 1.00 0.00 C ATOM 0 H VAL A 67 -15.187 4.136 -3.236 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.728 1.793 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.487 4.227 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.194 3.529 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.790 2.414 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.399 1.955 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -15.040 4.656 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.203 3.113 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.062 4.439 -0.981 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.234 1.737 -3.687 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.223 0.836 -4.258 1.00 0.00 C ATOM 1033 C ALA A 68 -17.714 0.179 -5.544 1.00 0.00 C ATOM 1034 O ALA A 68 -18.351 -0.744 -6.047 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.516 1.612 -4.507 1.00 0.00 C ATOM 0 H ALA A 68 -17.042 2.562 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.415 0.028 -3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.264 0.945 -4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.886 2.015 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.321 2.431 -5.200 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.580 0.645 -6.079 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.025 0.116 -7.314 1.00 0.00 C ATOM 1043 C GLY A 69 -14.974 -0.973 -7.095 1.00 0.00 C ATOM 1044 O GLY A 69 -14.793 -1.825 -7.962 1.00 0.00 O ATOM 0 H GLY A 69 -16.029 1.396 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.834 -0.288 -7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.578 0.933 -7.881 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.284 -0.962 -5.949 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.208 -1.910 -5.661 1.00 0.00 C ATOM 1050 C GLU A 70 -13.489 -2.725 -4.403 1.00 0.00 C ATOM 1051 O GLU A 70 -12.839 -3.745 -4.183 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.892 -1.143 -5.494 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.431 -0.473 -6.790 1.00 0.00 C ATOM 1054 CD GLU A 70 -10.961 -1.504 -7.811 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -9.768 -1.872 -7.753 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -11.787 -1.922 -8.651 1.00 0.00 O ATOM 0 H GLU A 70 -14.458 -0.295 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.139 -2.606 -6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.014 -0.384 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.118 -1.828 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.249 0.111 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.621 0.223 -6.574 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.440 -2.311 -3.564 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.703 -3.034 -2.331 1.00 0.00 C ATOM 1065 C ASP A 71 -15.085 -4.486 -2.622 1.00 0.00 C ATOM 1066 O ASP A 71 -15.942 -4.756 -3.467 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.794 -2.317 -1.539 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.193 -3.123 -0.305 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.271 -3.609 0.386 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.416 -3.249 -0.064 1.00 0.00 O ATOM 0 H ASP A 71 -15.029 -1.492 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.795 -3.054 -1.728 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.440 -1.332 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.666 -2.161 -2.174 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.444 -5.420 -1.915 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.713 -6.843 -2.054 1.00 0.00 C ATOM 1077 C GLY A 72 -13.932 -7.474 -3.203 1.00 0.00 C ATOM 1078 O GLY A 72 -14.232 -8.601 -3.595 1.00 0.00 O ATOM 0 H GLY A 72 -13.721 -5.204 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.458 -7.351 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.780 -6.994 -2.218 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.935 -6.769 -3.755 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.147 -7.299 -4.868 1.00 0.00 C ATOM 1084 C ARG A 73 -10.918 -8.046 -4.367 1.00 0.00 C ATOM 1085 O ARG A 73 -10.499 -7.857 -3.226 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.771 -6.200 -5.863 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.539 -5.397 -5.429 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.958 -4.663 -6.630 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.246 -5.598 -7.510 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.523 -5.235 -8.571 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.420 -3.956 -8.927 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.894 -6.162 -9.285 1.00 0.00 N ATOM 0 H ARG A 73 -12.659 -5.836 -3.449 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.771 -8.016 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.581 -6.649 -6.838 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.616 -5.522 -5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.813 -4.684 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.790 -6.064 -5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.757 -4.170 -7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.277 -3.882 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.308 -6.593 -7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.898 -3.236 -8.386 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.863 -3.696 -9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.965 -7.145 -9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.340 -5.891 -10.097 1.00 0.00 H new ATOM 1106 N MET A 74 -10.331 -8.887 -5.218 1.00 0.00 N ATOM 1107 CA MET A 74 -9.107 -9.594 -4.877 1.00 0.00 C ATOM 1108 C MET A 74 -7.882 -8.897 -5.456 1.00 0.00 C ATOM 1109 O MET A 74 -7.901 -8.438 -6.599 1.00 0.00 O ATOM 1110 CB MET A 74 -9.200 -11.052 -5.328 1.00 0.00 C ATOM 1111 CG MET A 74 -7.860 -11.756 -5.102 1.00 0.00 C ATOM 1112 SD MET A 74 -7.977 -13.557 -4.992 1.00 0.00 S ATOM 1113 CE MET A 74 -8.709 -13.642 -3.341 1.00 0.00 C ATOM 0 H MET A 74 -10.689 -9.093 -6.151 1.00 0.00 H new ATOM 0 HA MET A 74 -8.989 -9.582 -3.793 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.987 -11.563 -4.774 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.471 -11.098 -6.383 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.184 -11.496 -5.917 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.413 -11.376 -4.184 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.156 -14.359 -2.734 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.664 -12.659 -2.872 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.749 -13.959 -3.420 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.814 -8.828 -4.653 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.525 -8.285 -5.051 1.00 0.00 C ATOM 1125 C ILE A 75 -4.440 -9.120 -4.378 1.00 0.00 C ATOM 1126 O ILE A 75 -4.533 -9.415 -3.187 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.407 -6.807 -4.639 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.572 -5.988 -5.215 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.072 -6.232 -5.117 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.589 -4.542 -4.707 1.00 0.00 C ATOM 0 H ILE A 75 -6.830 -9.158 -3.688 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.416 -8.329 -6.135 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.450 -6.748 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.505 -5.985 -6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.514 -6.471 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.999 -5.186 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.253 -6.794 -4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.012 -6.306 -6.203 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.433 -4.012 -5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.685 -4.539 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.661 -4.046 -4.991 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.410 -9.498 -5.143 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.286 -10.293 -4.661 1.00 0.00 C ATOM 1144 C ALA A 76 -2.687 -11.582 -3.926 1.00 0.00 C ATOM 1145 O ALA A 76 -1.871 -12.151 -3.197 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.361 -9.409 -3.830 1.00 0.00 C ATOM 0 H ALA A 76 -3.337 -9.254 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.748 -10.655 -5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.520 -10.001 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.990 -8.590 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.911 -9.004 -2.981 1.00 0.00 H new ATOM 1152 N GLY A 77 -3.926 -12.054 -4.107 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.363 -13.339 -3.581 1.00 0.00 C ATOM 1154 C GLY A 77 -5.304 -13.230 -2.380 1.00 0.00 C ATOM 1155 O GLY A 77 -5.763 -14.255 -1.882 1.00 0.00 O ATOM 0 H GLY A 77 -4.648 -11.551 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.865 -13.893 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.487 -13.919 -3.292 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.602 -12.013 -1.910 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.545 -11.799 -0.818 1.00 0.00 C ATOM 1161 C GLN A 78 -7.529 -10.693 -1.172 1.00 0.00 C ATOM 1162 O GLN A 78 -7.268 -9.875 -2.052 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.820 -11.444 0.482 1.00 0.00 C ATOM 1164 CG GLN A 78 -5.115 -12.653 1.100 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.622 -12.414 1.234 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -3.106 -12.242 2.333 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.919 -12.402 0.107 1.00 0.00 N ATOM 0 H GLN A 78 -5.194 -11.154 -2.278 1.00 0.00 H new ATOM 0 HA GLN A 78 -7.089 -12.731 -0.667 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.088 -10.660 0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.537 -11.039 1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.541 -12.862 2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.290 -13.534 0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.387 -12.549 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.911 -12.246 0.136 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.663 -10.672 -0.476 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.682 -9.646 -0.658 1.00 0.00 C ATOM 1178 C VAL A 79 -9.475 -8.553 0.379 1.00 0.00 C ATOM 1179 O VAL A 79 -9.034 -8.816 1.498 1.00 0.00 O ATOM 1180 CB VAL A 79 -11.086 -10.259 -0.573 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -12.174 -9.193 -0.691 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.273 -11.265 -1.707 1.00 0.00 C ATOM 0 H VAL A 79 -8.900 -11.368 0.231 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.590 -9.203 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.175 -10.746 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.154 -9.665 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.065 -8.471 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.080 -8.682 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.270 -11.700 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.156 -10.759 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.527 -12.055 -1.620 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.803 -7.323 -0.008 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.654 -6.148 0.833 1.00 0.00 C ATOM 1194 C LEU A 80 -11.019 -5.531 1.098 1.00 0.00 C ATOM 1195 O LEU A 80 -11.892 -5.517 0.231 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.654 -5.123 0.262 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.369 -5.141 -1.243 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.639 -6.407 -1.698 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.642 -4.934 -2.055 1.00 0.00 C ATOM 0 H LEU A 80 -10.186 -7.116 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.224 -6.468 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.016 -4.128 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.705 -5.261 0.781 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.698 -4.303 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.466 -6.361 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.683 -6.482 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.247 -7.281 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.402 -4.952 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.351 -5.730 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.084 -3.971 -1.799 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.187 -5.018 2.315 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.424 -4.414 2.762 1.00 0.00 C ATOM 1213 C ASP A 81 -12.286 -2.902 2.637 1.00 0.00 C ATOM 1214 O ASP A 81 -11.631 -2.263 3.461 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.681 -4.850 4.207 1.00 0.00 C ATOM 1216 CG ASP A 81 -13.995 -4.303 4.756 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -14.970 -4.222 3.975 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -14.011 -3.970 5.962 1.00 0.00 O ATOM 0 H ASP A 81 -10.452 -5.014 3.023 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.274 -4.731 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.695 -5.939 4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.858 -4.512 4.837 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.903 -2.330 1.603 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.780 -0.911 1.318 1.00 0.00 C ATOM 1225 C ILE A 82 -14.023 -0.179 1.811 1.00 0.00 C ATOM 1226 O ILE A 82 -15.142 -0.669 1.659 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.543 -0.714 -0.179 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.260 -1.433 -0.607 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.443 0.772 -0.514 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.198 -1.575 -2.125 1.00 0.00 C ATOM 0 H ILE A 82 -13.497 -2.838 0.947 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.925 -0.489 1.846 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.388 -1.138 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.391 -0.877 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.218 -2.419 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.274 0.893 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.371 1.271 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.613 1.214 0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.278 -2.088 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.056 -2.152 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.216 -0.586 -2.584 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.833 0.996 2.409 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.933 1.744 2.997 1.00 0.00 C ATOM 1244 C ASN A 83 -14.595 3.232 3.079 1.00 0.00 C ATOM 1245 O ASN A 83 -13.432 3.619 2.978 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.199 1.174 4.394 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.571 1.572 4.917 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.549 0.868 4.694 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.667 2.700 5.615 1.00 0.00 N ATOM 0 H ASN A 83 -12.923 1.448 2.497 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.823 1.647 2.376 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.124 0.087 4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.431 1.527 5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.572 2.999 5.980 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.836 3.267 5.785 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.621 4.068 3.263 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.432 5.488 3.507 1.00 0.00 C ATOM 1258 C LEU A 84 -14.663 5.645 4.818 1.00 0.00 C ATOM 1259 O LEU A 84 -14.860 4.859 5.744 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.807 6.165 3.593 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.997 7.344 2.634 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.027 8.470 2.971 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -16.798 6.930 1.181 1.00 0.00 C ATOM 0 H LEU A 84 -16.598 3.775 3.246 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.867 5.956 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.577 5.421 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.962 6.515 4.614 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.023 7.692 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.177 9.299 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.206 8.812 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -15.003 8.106 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -16.942 7.795 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.788 6.541 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.522 6.158 0.920 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.791 6.650 4.920 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.925 6.787 6.082 1.00 0.00 C ATOM 1277 C ALA A 85 -13.649 7.346 7.309 1.00 0.00 C ATOM 1278 O ALA A 85 -13.045 7.443 8.376 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.731 7.664 5.715 1.00 0.00 C ATOM 0 H ALA A 85 -13.669 7.375 4.213 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.588 5.789 6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.078 7.771 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.177 7.201 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.084 8.647 5.403 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.926 7.713 7.169 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.718 8.229 8.270 1.00 0.00 C ATOM 1287 C ALA A 86 -17.065 7.509 8.375 1.00 0.00 C ATOM 1288 O ALA A 86 -17.963 7.969 9.076 1.00 0.00 O ATOM 1289 CB ALA A 86 -15.897 9.735 8.096 1.00 0.00 C ATOM 0 H ALA A 86 -15.433 7.658 6.285 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.192 8.042 9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.492 10.128 8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.920 10.219 8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.407 9.934 7.154 1.00 0.00 H new