USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 461 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 HIS : no HD1:sc= 0 X(o=-0.94,f=-1.1) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 16 TYR OH : rot 174:sc= 0.00141 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= 0.349 (180deg=0.101) USER MOD Single : A 22 THR OG1 : rot -90:sc= 1.06 USER MOD Single : A 26 SER OG : rot 25:sc= 1.25 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -169:sc= 0 (180deg=-0.0344) USER MOD Single : A 37 ASN : amide:sc= -0.0702 K(o=-0.07,f=-0.73) USER MOD Single : A 44 MET CE :methyl -141:sc= -0.253 (180deg=-2.01!) USER MOD Single : A 48 ASN : amide:sc= -1.3! C(o=-1.3!,f=-16!) USER MOD Single : A 51 THR OG1 : rot -140:sc= -0.937 USER MOD Single : A 54 GLN : amide:sc= -3.02! C(o=-3!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -6.433 9.946 -0.892 1.00 0.00 N ATOM 67 CA ARG A 8 -5.001 9.990 -1.164 1.00 0.00 C ATOM 68 C ARG A 8 -4.554 8.746 -1.926 1.00 0.00 C ATOM 69 O ARG A 8 -5.037 7.643 -1.671 1.00 0.00 O ATOM 70 CB ARG A 8 -4.215 10.112 0.142 1.00 0.00 C ATOM 71 CG ARG A 8 -2.714 9.947 -0.032 1.00 0.00 C ATOM 72 CD ARG A 8 -2.049 9.499 1.260 1.00 0.00 C ATOM 73 NE ARG A 8 -1.643 10.631 2.087 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.460 11.261 2.924 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.721 10.871 3.043 1.00 0.00 N ATOM 76 NH2 ARG A 8 -2.016 12.284 3.643 1.00 0.00 N ATOM 0 HA ARG A 8 -4.801 10.865 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.416 11.087 0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.575 9.361 0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.516 9.217 -0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.278 10.892 -0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.737 8.868 1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.176 8.889 1.026 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.679 10.956 2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.066 10.086 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.346 11.356 3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.046 12.588 3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.644 12.767 4.285 1.00 0.00 H new ATOM 90 N ARG A 9 -3.628 8.932 -2.862 1.00 0.00 N ATOM 91 CA ARG A 9 -3.117 7.826 -3.661 1.00 0.00 C ATOM 92 C ARG A 9 -1.672 7.508 -3.289 1.00 0.00 C ATOM 93 O ARG A 9 -0.855 8.409 -3.102 1.00 0.00 O ATOM 94 CB ARG A 9 -3.209 8.160 -5.151 1.00 0.00 C ATOM 95 CG ARG A 9 -2.633 7.082 -6.054 1.00 0.00 C ATOM 96 CD ARG A 9 -3.313 7.072 -7.414 1.00 0.00 C ATOM 97 NE ARG A 9 -2.720 8.042 -8.330 1.00 0.00 N ATOM 98 CZ ARG A 9 -3.102 8.188 -9.594 1.00 0.00 C ATOM 99 NH1 ARG A 9 -4.071 7.430 -10.089 1.00 0.00 N ATOM 100 NH2 ARG A 9 -2.514 9.093 -10.366 1.00 0.00 N ATOM 0 H ARG A 9 -3.217 9.839 -3.085 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.729 6.948 -3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.254 8.322 -5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.684 9.097 -5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.563 7.247 -6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.751 6.108 -5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.242 6.074 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.374 7.291 -7.291 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.972 8.640 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.525 6.733 -9.499 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.362 7.544 -11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.768 9.677 -9.989 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.808 9.204 -11.336 1.00 0.00 H new ATOM 114 N VAL A 10 -1.364 6.219 -3.181 1.00 0.00 N ATOM 115 CA VAL A 10 -0.018 5.781 -2.831 1.00 0.00 C ATOM 116 C VAL A 10 0.434 4.629 -3.722 1.00 0.00 C ATOM 117 O VAL A 10 -0.337 4.121 -4.535 1.00 0.00 O ATOM 118 CB VAL A 10 0.063 5.340 -1.358 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.249 6.506 -0.433 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.880 4.175 -1.099 1.00 0.00 C ATOM 0 H VAL A 10 -2.029 5.460 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 10 0.643 6.634 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 10 1.080 5.007 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.187 6.175 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.471 7.307 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.255 6.873 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.810 3.876 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.903 4.478 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.604 3.335 -1.736 1.00 0.00 H new ATOM 130 N ARG A 11 1.689 4.222 -3.561 1.00 0.00 N ATOM 131 CA ARG A 11 2.245 3.130 -4.351 1.00 0.00 C ATOM 132 C ARG A 11 3.237 2.314 -3.528 1.00 0.00 C ATOM 133 O ARG A 11 3.914 2.845 -2.649 1.00 0.00 O ATOM 134 CB ARG A 11 2.933 3.677 -5.603 1.00 0.00 C ATOM 135 CG ARG A 11 3.943 2.718 -6.211 1.00 0.00 C ATOM 136 CD ARG A 11 4.751 3.384 -7.314 1.00 0.00 C ATOM 137 NE ARG A 11 6.086 2.805 -7.441 1.00 0.00 N ATOM 138 CZ ARG A 11 7.053 3.342 -8.176 1.00 0.00 C ATOM 139 NH1 ARG A 11 6.835 4.466 -8.846 1.00 0.00 N ATOM 140 NH2 ARG A 11 8.242 2.756 -8.241 1.00 0.00 N ATOM 0 H ARG A 11 2.340 4.632 -2.891 1.00 0.00 H new ATOM 0 HA ARG A 11 1.425 2.478 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.175 3.914 -6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.437 4.611 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.616 2.356 -5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.424 1.848 -6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.221 3.285 -8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.837 4.451 -7.107 1.00 0.00 H new ATOM 0 HE ARG A 11 6.287 1.941 -6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.923 4.920 -8.797 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.580 4.876 -9.410 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.414 1.892 -7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.984 3.169 -8.806 1.00 0.00 H new ATOM 154 N ALA A 12 3.316 1.020 -3.820 1.00 0.00 N ATOM 155 CA ALA A 12 4.226 0.131 -3.108 1.00 0.00 C ATOM 156 C ALA A 12 5.650 0.266 -3.635 1.00 0.00 C ATOM 157 O ALA A 12 5.961 -0.191 -4.736 1.00 0.00 O ATOM 158 CB ALA A 12 3.753 -1.311 -3.224 1.00 0.00 C ATOM 0 H ALA A 12 2.761 0.564 -4.544 1.00 0.00 H new ATOM 0 HA ALA A 12 4.227 0.419 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.442 -1.964 -2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.756 -1.403 -2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.722 -1.600 -4.274 1.00 0.00 H new ATOM 164 N ILE A 13 6.512 0.896 -2.844 1.00 0.00 N ATOM 165 CA ILE A 13 7.903 1.091 -3.232 1.00 0.00 C ATOM 166 C ILE A 13 8.690 -0.212 -3.130 1.00 0.00 C ATOM 167 O ILE A 13 9.807 -0.317 -3.638 1.00 0.00 O ATOM 168 CB ILE A 13 8.587 2.160 -2.359 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.448 1.805 -0.878 1.00 0.00 C ATOM 170 CG2 ILE A 13 7.991 3.532 -2.639 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.562 2.360 -0.017 1.00 0.00 C ATOM 0 H ILE A 13 6.271 1.280 -1.930 1.00 0.00 H new ATOM 0 HA ILE A 13 7.897 1.429 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 13 9.648 2.188 -2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.493 2.182 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.425 0.720 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.484 4.277 -2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.137 3.785 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.925 3.518 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.399 2.069 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.518 1.964 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.572 3.447 -0.092 1.00 0.00 H new ATOM 183 N LEU A 14 8.100 -1.203 -2.470 1.00 0.00 N ATOM 184 CA LEU A 14 8.744 -2.501 -2.302 1.00 0.00 C ATOM 185 C LEU A 14 7.706 -3.611 -2.171 1.00 0.00 C ATOM 186 O LEU A 14 6.567 -3.384 -1.762 1.00 0.00 O ATOM 187 CB LEU A 14 9.651 -2.486 -1.070 1.00 0.00 C ATOM 188 CG LEU A 14 11.047 -1.896 -1.271 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.761 -1.747 0.063 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.861 -2.764 -2.220 1.00 0.00 C ATOM 0 H LEU A 14 7.177 -1.132 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 14 9.348 -2.697 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.151 -1.923 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.759 -3.509 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 14 10.942 -0.906 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.753 -1.326 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.187 -1.084 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.855 -2.724 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.852 -2.329 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.957 -3.767 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.358 -2.819 -3.185 1.00 0.00 H new ATOM 202 N PRO A 15 8.108 -4.841 -2.523 1.00 0.00 N ATOM 203 CA PRO A 15 7.228 -6.012 -2.450 1.00 0.00 C ATOM 204 C PRO A 15 6.920 -6.417 -1.013 1.00 0.00 C ATOM 205 O PRO A 15 7.790 -6.366 -0.143 1.00 0.00 O ATOM 206 CB PRO A 15 8.036 -7.106 -3.153 1.00 0.00 C ATOM 207 CG PRO A 15 9.457 -6.688 -2.996 1.00 0.00 C ATOM 208 CD PRO A 15 9.451 -5.184 -3.018 1.00 0.00 C ATOM 0 HA PRO A 15 6.256 -5.821 -2.905 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.858 -8.082 -2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.761 -7.187 -4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.873 -7.063 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.073 -7.088 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.232 -4.770 -2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.620 -4.796 -4.023 1.00 0.00 H new ATOM 216 N TYR A 16 5.678 -6.820 -0.771 1.00 0.00 N ATOM 217 CA TYR A 16 5.255 -7.233 0.562 1.00 0.00 C ATOM 218 C TYR A 16 4.329 -8.443 0.490 1.00 0.00 C ATOM 219 O TYR A 16 3.434 -8.507 -0.353 1.00 0.00 O ATOM 220 CB TYR A 16 4.548 -6.079 1.276 1.00 0.00 C ATOM 221 CG TYR A 16 3.917 -6.476 2.591 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.677 -6.559 3.752 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.562 -6.769 2.674 1.00 0.00 C ATOM 224 CE1 TYR A 16 4.105 -6.922 4.956 1.00 0.00 C ATOM 225 CE2 TYR A 16 1.981 -7.131 3.874 1.00 0.00 C ATOM 226 CZ TYR A 16 2.757 -7.206 5.012 1.00 0.00 C ATOM 227 OH TYR A 16 2.183 -7.568 6.209 1.00 0.00 O ATOM 0 H TYR A 16 4.946 -6.870 -1.480 1.00 0.00 H new ATOM 0 HA TYR A 16 6.145 -7.512 1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.266 -5.279 1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.777 -5.675 0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.733 -6.336 3.712 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.952 -6.713 1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.710 -6.983 5.848 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.925 -7.354 3.921 1.00 0.00 H new ATOM 0 HH TYR A 16 1.212 -7.636 6.099 1.00 0.00 H new ATOM 237 N THR A 17 4.551 -9.404 1.381 1.00 0.00 N ATOM 238 CA THR A 17 3.739 -10.614 1.420 1.00 0.00 C ATOM 239 C THR A 17 2.707 -10.548 2.540 1.00 0.00 C ATOM 240 O THR A 17 3.057 -10.450 3.716 1.00 0.00 O ATOM 241 CB THR A 17 4.610 -11.869 1.613 1.00 0.00 C ATOM 242 OG1 THR A 17 5.582 -11.958 0.565 1.00 0.00 O ATOM 243 CG2 THR A 17 3.753 -13.126 1.624 1.00 0.00 C ATOM 0 H THR A 17 5.287 -9.368 2.086 1.00 0.00 H new ATOM 0 HA THR A 17 3.226 -10.681 0.461 1.00 0.00 H new ATOM 0 HB THR A 17 5.119 -11.786 2.573 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.133 -12.758 0.697 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.390 -14.000 1.762 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.034 -13.069 2.441 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.220 -13.211 0.677 1.00 0.00 H new ATOM 251 N LYS A 18 1.433 -10.602 2.168 1.00 0.00 N ATOM 252 CA LYS A 18 0.348 -10.551 3.141 1.00 0.00 C ATOM 253 C LYS A 18 0.435 -11.721 4.115 1.00 0.00 C ATOM 254 O LYS A 18 1.147 -12.695 3.869 1.00 0.00 O ATOM 255 CB LYS A 18 -1.006 -10.567 2.428 1.00 0.00 C ATOM 256 CG LYS A 18 -1.374 -11.923 1.852 1.00 0.00 C ATOM 257 CD LYS A 18 -2.856 -12.009 1.530 1.00 0.00 C ATOM 258 CE LYS A 18 -3.675 -12.367 2.761 1.00 0.00 C ATOM 259 NZ LYS A 18 -5.137 -12.232 2.513 1.00 0.00 N ATOM 0 H LYS A 18 1.126 -10.681 1.199 1.00 0.00 H new ATOM 0 HA LYS A 18 0.444 -9.623 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.780 -10.257 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.992 -9.832 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.793 -12.105 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.109 -12.705 2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.198 -11.055 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.018 -12.757 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.451 -13.390 3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.386 -11.721 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.660 -12.827 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.420 -11.239 2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.354 -12.536 1.542 1.00 0.00 H new ATOM 273 N VAL A 19 -0.294 -11.620 5.222 1.00 0.00 N ATOM 274 CA VAL A 19 -0.301 -12.671 6.232 1.00 0.00 C ATOM 275 C VAL A 19 -1.576 -13.503 6.150 1.00 0.00 C ATOM 276 O VAL A 19 -2.675 -12.983 5.956 1.00 0.00 O ATOM 277 CB VAL A 19 -0.173 -12.087 7.651 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.269 -13.191 8.693 1.00 0.00 C ATOM 279 CG2 VAL A 19 1.133 -11.319 7.794 1.00 0.00 C ATOM 0 H VAL A 19 -0.888 -10.820 5.442 1.00 0.00 H new ATOM 0 HA VAL A 19 0.560 -13.309 6.031 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.997 -11.392 7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.176 -12.760 9.690 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.232 -13.693 8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.533 -13.912 8.534 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.208 -10.913 8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.972 -11.990 7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.156 -10.503 7.072 1.00 0.00 H new ATOM 289 N PRO A 20 -1.429 -14.828 6.302 1.00 0.00 N ATOM 290 CA PRO A 20 -2.559 -15.761 6.250 1.00 0.00 C ATOM 291 C PRO A 20 -3.478 -15.626 7.459 1.00 0.00 C ATOM 292 O PRO A 20 -3.014 -15.471 8.589 1.00 0.00 O ATOM 293 CB PRO A 20 -1.884 -17.135 6.243 1.00 0.00 C ATOM 294 CG PRO A 20 -0.567 -16.914 6.903 1.00 0.00 C ATOM 295 CD PRO A 20 -0.149 -15.517 6.536 1.00 0.00 C ATOM 0 HA PRO A 20 -3.198 -15.580 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.479 -17.871 6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.760 -17.510 5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.649 -17.025 7.984 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.168 -17.643 6.562 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.421 -15.045 7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.481 -15.507 5.647 1.00 0.00 H new ATOM 303 N ASP A 21 -4.782 -15.685 7.214 1.00 0.00 N ATOM 304 CA ASP A 21 -5.767 -15.571 8.284 1.00 0.00 C ATOM 305 C ASP A 21 -5.885 -14.127 8.761 1.00 0.00 C ATOM 306 O ASP A 21 -6.203 -13.869 9.923 1.00 0.00 O ATOM 307 CB ASP A 21 -5.388 -16.479 9.454 1.00 0.00 C ATOM 308 CG ASP A 21 -6.593 -16.911 10.266 1.00 0.00 C ATOM 309 OD1 ASP A 21 -7.717 -16.879 9.722 1.00 0.00 O ATOM 310 OD2 ASP A 21 -6.412 -17.283 11.444 1.00 0.00 O ATOM 0 H ASP A 21 -5.182 -15.811 6.284 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.734 -15.885 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.875 -17.362 9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.685 -15.956 10.103 1.00 0.00 H new ATOM 315 N THR A 22 -5.626 -13.187 7.857 1.00 0.00 N ATOM 316 CA THR A 22 -5.701 -11.769 8.186 1.00 0.00 C ATOM 317 C THR A 22 -6.358 -10.977 7.061 1.00 0.00 C ATOM 318 O THR A 22 -6.485 -11.466 5.938 1.00 0.00 O ATOM 319 CB THR A 22 -4.305 -11.182 8.465 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.657 -10.853 7.231 1.00 0.00 O ATOM 321 CG2 THR A 22 -3.449 -12.168 9.246 1.00 0.00 C ATOM 0 H THR A 22 -5.362 -13.382 6.891 1.00 0.00 H new ATOM 0 HA THR A 22 -6.308 -11.686 9.087 1.00 0.00 H new ATOM 0 HB THR A 22 -4.428 -10.279 9.063 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.142 -11.625 6.916 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.468 -11.731 9.431 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.931 -12.394 10.197 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.334 -13.086 8.670 1.00 0.00 H new ATOM 329 N ASP A 23 -6.773 -9.754 7.369 1.00 0.00 N ATOM 330 CA ASP A 23 -7.415 -8.893 6.382 1.00 0.00 C ATOM 331 C ASP A 23 -6.379 -8.074 5.619 1.00 0.00 C ATOM 332 O ASP A 23 -6.668 -6.974 5.149 1.00 0.00 O ATOM 333 CB ASP A 23 -8.419 -7.962 7.063 1.00 0.00 C ATOM 334 CG ASP A 23 -9.616 -8.708 7.620 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.116 -9.624 6.934 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.051 -8.376 8.742 1.00 0.00 O ATOM 0 H ASP A 23 -6.677 -9.336 8.294 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.944 -9.528 5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.922 -7.425 7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.761 -7.215 6.347 1.00 0.00 H new ATOM 341 N GLU A 24 -5.172 -8.618 5.501 1.00 0.00 N ATOM 342 CA GLU A 24 -4.092 -7.935 4.797 1.00 0.00 C ATOM 343 C GLU A 24 -3.955 -8.462 3.371 1.00 0.00 C ATOM 344 O GLU A 24 -4.182 -9.643 3.110 1.00 0.00 O ATOM 345 CB GLU A 24 -2.771 -8.114 5.547 1.00 0.00 C ATOM 346 CG GLU A 24 -2.881 -7.860 7.041 1.00 0.00 C ATOM 347 CD GLU A 24 -1.744 -8.488 7.824 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.580 -8.094 7.598 1.00 0.00 O ATOM 349 OE2 GLU A 24 -2.017 -9.372 8.663 1.00 0.00 O ATOM 0 H GLU A 24 -4.917 -9.529 5.883 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.335 -6.873 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.405 -9.128 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.029 -7.436 5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.893 -6.785 7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.830 -8.255 7.404 1.00 0.00 H new ATOM 356 N ILE A 25 -3.583 -7.576 2.453 1.00 0.00 N ATOM 357 CA ILE A 25 -3.415 -7.951 1.055 1.00 0.00 C ATOM 358 C ILE A 25 -1.958 -7.824 0.623 1.00 0.00 C ATOM 359 O ILE A 25 -1.162 -7.152 1.278 1.00 0.00 O ATOM 360 CB ILE A 25 -4.290 -7.084 0.130 1.00 0.00 C ATOM 361 CG1 ILE A 25 -4.103 -5.601 0.458 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.753 -7.480 0.261 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.363 -4.685 -0.717 1.00 0.00 C ATOM 0 H ILE A 25 -3.392 -6.594 2.653 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.728 -8.991 0.968 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.979 -7.251 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.773 -5.331 1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.085 -5.442 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.359 -6.859 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.873 -8.527 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.077 -7.338 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.212 -3.650 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.676 -4.929 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.389 -4.816 -1.060 1.00 0.00 H new ATOM 375 N SER A 26 -1.616 -8.473 -0.486 1.00 0.00 N ATOM 376 CA SER A 26 -0.254 -8.435 -1.005 1.00 0.00 C ATOM 377 C SER A 26 -0.149 -7.472 -2.184 1.00 0.00 C ATOM 378 O SER A 26 -1.136 -7.202 -2.870 1.00 0.00 O ATOM 379 CB SER A 26 0.190 -9.835 -1.434 1.00 0.00 C ATOM 380 OG SER A 26 1.599 -9.966 -1.365 1.00 0.00 O ATOM 0 H SER A 26 -2.264 -9.031 -1.042 1.00 0.00 H new ATOM 0 HA SER A 26 0.402 -8.081 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.280 -10.581 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.147 -10.031 -2.452 1.00 0.00 H new ATOM 0 HG SER A 26 1.955 -9.328 -0.712 1.00 0.00 H new ATOM 386 N PHE A 27 1.054 -6.958 -2.415 1.00 0.00 N ATOM 387 CA PHE A 27 1.290 -6.024 -3.510 1.00 0.00 C ATOM 388 C PHE A 27 2.734 -6.108 -3.994 1.00 0.00 C ATOM 389 O PHE A 27 3.609 -6.611 -3.289 1.00 0.00 O ATOM 390 CB PHE A 27 0.970 -4.595 -3.067 1.00 0.00 C ATOM 391 CG PHE A 27 1.346 -4.310 -1.641 1.00 0.00 C ATOM 392 CD1 PHE A 27 2.609 -3.837 -1.325 1.00 0.00 C ATOM 393 CD2 PHE A 27 0.436 -4.517 -0.617 1.00 0.00 C ATOM 394 CE1 PHE A 27 2.958 -3.574 -0.013 1.00 0.00 C ATOM 395 CE2 PHE A 27 0.779 -4.256 0.696 1.00 0.00 C ATOM 396 CZ PHE A 27 2.042 -3.785 0.998 1.00 0.00 C ATOM 0 H PHE A 27 1.881 -7.172 -1.858 1.00 0.00 H new ATOM 0 HA PHE A 27 0.633 -6.296 -4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.493 -3.895 -3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.097 -4.414 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.329 -3.672 -2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.552 -4.886 -0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.946 -3.204 0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.060 -4.420 1.485 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.312 -3.582 2.024 1.00 0.00 H new ATOM 406 N LEU A 28 2.976 -5.611 -5.202 1.00 0.00 N ATOM 407 CA LEU A 28 4.314 -5.629 -5.783 1.00 0.00 C ATOM 408 C LEU A 28 4.836 -4.211 -5.991 1.00 0.00 C ATOM 409 O LEU A 28 4.077 -3.243 -5.937 1.00 0.00 O ATOM 410 CB LEU A 28 4.303 -6.381 -7.115 1.00 0.00 C ATOM 411 CG LEU A 28 3.964 -7.870 -7.042 1.00 0.00 C ATOM 412 CD1 LEU A 28 5.132 -8.656 -6.466 1.00 0.00 C ATOM 413 CD2 LEU A 28 2.709 -8.091 -6.210 1.00 0.00 C ATOM 0 H LEU A 28 2.263 -5.191 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 28 4.978 -6.143 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.584 -5.897 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.284 -6.274 -7.578 1.00 0.00 H new ATOM 0 HG LEU A 28 3.774 -8.230 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.872 -9.714 -6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.008 -8.524 -7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.354 -8.295 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.483 -9.156 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.871 -7.715 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.873 -7.560 -6.665 1.00 0.00 H new ATOM 425 N LYS A 29 6.138 -4.095 -6.232 1.00 0.00 N ATOM 426 CA LYS A 29 6.763 -2.796 -6.452 1.00 0.00 C ATOM 427 C LYS A 29 6.114 -2.072 -7.627 1.00 0.00 C ATOM 428 O LYS A 29 6.190 -2.526 -8.768 1.00 0.00 O ATOM 429 CB LYS A 29 8.262 -2.965 -6.709 1.00 0.00 C ATOM 430 CG LYS A 29 9.044 -1.666 -6.625 1.00 0.00 C ATOM 431 CD LYS A 29 10.521 -1.885 -6.909 1.00 0.00 C ATOM 432 CE LYS A 29 11.346 -0.661 -6.542 1.00 0.00 C ATOM 433 NZ LYS A 29 11.465 0.290 -7.682 1.00 0.00 N ATOM 0 H LYS A 29 6.781 -4.885 -6.280 1.00 0.00 H new ATOM 0 HA LYS A 29 6.620 -2.195 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.669 -3.671 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.406 -3.402 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.638 -0.949 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.924 -1.231 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.877 -2.747 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.659 -2.115 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.887 -0.155 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.341 -0.975 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.034 1.111 -7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.926 -0.185 -8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.518 0.610 -7.968 1.00 0.00 H new ATOM 447 N GLY A 30 5.475 -0.941 -7.341 1.00 0.00 N ATOM 448 CA GLY A 30 4.823 -0.172 -8.384 1.00 0.00 C ATOM 449 C GLY A 30 3.312 -0.254 -8.307 1.00 0.00 C ATOM 450 O GLY A 30 2.607 0.484 -8.996 1.00 0.00 O ATOM 0 H GLY A 30 5.398 -0.544 -6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.131 0.871 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.154 -0.533 -9.358 1.00 0.00 H new ATOM 454 N ASP A 31 2.812 -1.154 -7.467 1.00 0.00 N ATOM 455 CA ASP A 31 1.374 -1.329 -7.302 1.00 0.00 C ATOM 456 C ASP A 31 0.740 -0.082 -6.694 1.00 0.00 C ATOM 457 O ASP A 31 1.246 0.470 -5.717 1.00 0.00 O ATOM 458 CB ASP A 31 1.085 -2.545 -6.420 1.00 0.00 C ATOM 459 CG ASP A 31 0.947 -3.824 -7.222 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.865 -4.129 -8.012 1.00 0.00 O ATOM 461 OD2 ASP A 31 -0.079 -4.518 -7.062 1.00 0.00 O ATOM 0 H ASP A 31 3.381 -1.773 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 31 0.938 -1.492 -8.287 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.888 -2.661 -5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.168 -2.372 -5.857 1.00 0.00 H new ATOM 466 N MET A 32 -0.369 0.357 -7.279 1.00 0.00 N ATOM 467 CA MET A 32 -1.072 1.540 -6.795 1.00 0.00 C ATOM 468 C MET A 32 -2.182 1.152 -5.823 1.00 0.00 C ATOM 469 O MET A 32 -2.534 -0.022 -5.704 1.00 0.00 O ATOM 470 CB MET A 32 -1.657 2.328 -7.968 1.00 0.00 C ATOM 471 CG MET A 32 -0.654 3.250 -8.642 1.00 0.00 C ATOM 472 SD MET A 32 -1.024 3.524 -10.385 1.00 0.00 S ATOM 473 CE MET A 32 -1.069 5.313 -10.444 1.00 0.00 C ATOM 0 H MET A 32 -0.801 -0.088 -8.089 1.00 0.00 H new ATOM 0 HA MET A 32 -0.354 2.168 -6.268 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.048 1.628 -8.706 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.500 2.920 -7.613 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.641 4.208 -8.122 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.345 2.824 -8.549 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.476 5.635 -11.402 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.699 5.688 -9.638 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.059 5.706 -10.328 1.00 0.00 H new ATOM 483 N PHE A 33 -2.730 2.146 -5.131 1.00 0.00 N ATOM 484 CA PHE A 33 -3.799 1.908 -4.169 1.00 0.00 C ATOM 485 C PHE A 33 -4.621 3.174 -3.945 1.00 0.00 C ATOM 486 O PHE A 33 -4.155 4.283 -4.209 1.00 0.00 O ATOM 487 CB PHE A 33 -3.219 1.421 -2.840 1.00 0.00 C ATOM 488 CG PHE A 33 -2.082 0.453 -3.001 1.00 0.00 C ATOM 489 CD1 PHE A 33 -2.326 -0.897 -3.199 1.00 0.00 C ATOM 490 CD2 PHE A 33 -0.769 0.893 -2.953 1.00 0.00 C ATOM 491 CE1 PHE A 33 -1.282 -1.790 -3.348 1.00 0.00 C ATOM 492 CE2 PHE A 33 0.279 0.004 -3.102 1.00 0.00 C ATOM 493 CZ PHE A 33 0.023 -1.339 -3.298 1.00 0.00 C ATOM 0 H PHE A 33 -2.451 3.123 -5.219 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.454 1.138 -4.575 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.875 2.281 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.010 0.946 -2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.344 -1.255 -3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.562 1.942 -2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.486 -2.839 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.298 0.360 -3.065 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.841 -2.035 -3.412 1.00 0.00 H new ATOM 503 N ILE A 34 -5.844 3.000 -3.456 1.00 0.00 N ATOM 504 CA ILE A 34 -6.730 4.128 -3.196 1.00 0.00 C ATOM 505 C ILE A 34 -7.022 4.265 -1.705 1.00 0.00 C ATOM 506 O ILE A 34 -7.986 3.693 -1.196 1.00 0.00 O ATOM 507 CB ILE A 34 -8.060 3.987 -3.958 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.817 3.393 -5.347 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.754 5.336 -4.067 1.00 0.00 C ATOM 510 CD1 ILE A 34 -7.816 1.881 -5.366 1.00 0.00 C ATOM 0 H ILE A 34 -6.244 2.089 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.214 5.022 -3.546 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.709 3.310 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.586 3.756 -6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.860 3.754 -5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.693 5.219 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.957 5.723 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.111 6.034 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.638 1.530 -6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.028 1.509 -4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.781 1.512 -5.019 1.00 0.00 H new ATOM 522 N VAL A 35 -6.184 5.028 -1.011 1.00 0.00 N ATOM 523 CA VAL A 35 -6.355 5.243 0.421 1.00 0.00 C ATOM 524 C VAL A 35 -7.763 5.731 0.740 1.00 0.00 C ATOM 525 O VAL A 35 -8.074 6.912 0.578 1.00 0.00 O ATOM 526 CB VAL A 35 -5.335 6.263 0.961 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.434 6.368 2.475 1.00 0.00 C ATOM 528 CG2 VAL A 35 -3.925 5.882 0.535 1.00 0.00 C ATOM 0 H VAL A 35 -5.380 5.507 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.189 4.282 0.907 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.566 7.241 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.706 7.093 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.437 6.691 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.230 5.395 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.217 6.613 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.681 4.895 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.866 5.864 -0.553 1.00 0.00 H new ATOM 538 N HIS A 36 -8.612 4.816 1.195 1.00 0.00 N ATOM 539 CA HIS A 36 -9.989 5.153 1.538 1.00 0.00 C ATOM 540 C HIS A 36 -10.101 5.553 3.006 1.00 0.00 C ATOM 541 O HIS A 36 -10.693 6.580 3.337 1.00 0.00 O ATOM 542 CB HIS A 36 -10.914 3.971 1.249 1.00 0.00 C ATOM 543 CG HIS A 36 -11.089 3.691 -0.212 1.00 0.00 C ATOM 544 ND1 HIS A 36 -11.554 4.631 -1.108 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.857 2.570 -0.933 1.00 0.00 C ATOM 546 CE1 HIS A 36 -11.602 4.099 -2.316 1.00 0.00 C ATOM 547 NE2 HIS A 36 -11.184 2.849 -2.238 1.00 0.00 N ATOM 0 H HIS A 36 -8.371 3.835 1.335 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.292 6.001 0.924 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.516 3.081 1.736 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.890 4.167 1.692 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.484 1.630 -0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -11.928 4.601 -3.215 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.115 2.197 -3.019 1.00 0.00 H new ATOM 555 N ASN A 37 -9.527 4.735 3.883 1.00 0.00 N ATOM 556 CA ASN A 37 -9.564 5.003 5.316 1.00 0.00 C ATOM 557 C ASN A 37 -8.154 5.175 5.873 1.00 0.00 C ATOM 558 O ASN A 37 -7.228 4.470 5.473 1.00 0.00 O ATOM 559 CB ASN A 37 -10.280 3.868 6.051 1.00 0.00 C ATOM 560 CG ASN A 37 -10.945 4.337 7.330 1.00 0.00 C ATOM 561 OD1 ASN A 37 -11.550 5.408 7.372 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.835 3.534 8.382 1.00 0.00 N ATOM 0 H ASN A 37 -9.031 3.882 3.626 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.114 5.931 5.473 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.031 3.430 5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.563 3.081 6.285 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.262 3.796 9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.324 2.655 8.301 1.00 0.00 H new ATOM 569 N GLU A 38 -7.999 6.116 6.800 1.00 0.00 N ATOM 570 CA GLU A 38 -6.702 6.379 7.411 1.00 0.00 C ATOM 571 C GLU A 38 -6.714 6.011 8.892 1.00 0.00 C ATOM 572 O GLU A 38 -7.233 6.756 9.725 1.00 0.00 O ATOM 573 CB GLU A 38 -6.324 7.852 7.244 1.00 0.00 C ATOM 574 CG GLU A 38 -6.155 8.276 5.795 1.00 0.00 C ATOM 575 CD GLU A 38 -6.118 9.783 5.628 1.00 0.00 C ATOM 576 OE1 GLU A 38 -5.746 10.477 6.597 1.00 0.00 O ATOM 577 OE2 GLU A 38 -6.461 10.267 4.529 1.00 0.00 O ATOM 0 H GLU A 38 -8.755 6.708 7.144 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.959 5.761 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.093 8.470 7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.395 8.043 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.234 7.848 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.975 7.869 5.203 1.00 0.00 H new ATOM 584 N LEU A 39 -6.140 4.857 9.214 1.00 0.00 N ATOM 585 CA LEU A 39 -6.085 4.388 10.594 1.00 0.00 C ATOM 586 C LEU A 39 -5.019 5.143 11.383 1.00 0.00 C ATOM 587 O LEU A 39 -4.242 5.910 10.816 1.00 0.00 O ATOM 588 CB LEU A 39 -5.796 2.887 10.632 1.00 0.00 C ATOM 589 CG LEU A 39 -6.859 1.982 10.009 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.229 2.285 10.597 1.00 0.00 C ATOM 591 CD2 LEU A 39 -6.879 2.146 8.496 1.00 0.00 C ATOM 0 H LEU A 39 -5.706 4.229 8.538 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.054 4.577 11.055 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.850 2.707 10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.659 2.590 11.672 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.608 0.947 10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.973 1.631 10.142 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.208 2.117 11.674 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.489 3.325 10.397 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.642 1.494 8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.106 3.182 8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.904 1.879 8.088 1.00 0.00 H new ATOM 603 N GLU A 40 -4.989 4.917 12.693 1.00 0.00 N ATOM 604 CA GLU A 40 -4.018 5.575 13.558 1.00 0.00 C ATOM 605 C GLU A 40 -2.834 4.656 13.845 1.00 0.00 C ATOM 606 O GLU A 40 -1.683 5.094 13.858 1.00 0.00 O ATOM 607 CB GLU A 40 -4.678 6.001 14.872 1.00 0.00 C ATOM 608 CG GLU A 40 -5.838 6.963 14.686 1.00 0.00 C ATOM 609 CD GLU A 40 -7.100 6.271 14.207 1.00 0.00 C ATOM 610 OE1 GLU A 40 -7.368 5.142 14.667 1.00 0.00 O ATOM 611 OE2 GLU A 40 -7.819 6.860 13.373 1.00 0.00 O ATOM 0 H GLU A 40 -5.625 4.284 13.177 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.651 6.461 13.040 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.034 5.113 15.395 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.928 6.468 15.511 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.041 7.468 15.630 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.555 7.732 13.968 1.00 0.00 H new ATOM 618 N ASP A 41 -3.126 3.381 14.076 1.00 0.00 N ATOM 619 CA ASP A 41 -2.086 2.399 14.363 1.00 0.00 C ATOM 620 C ASP A 41 -0.944 2.506 13.357 1.00 0.00 C ATOM 621 O ASP A 41 0.200 2.175 13.664 1.00 0.00 O ATOM 622 CB ASP A 41 -2.670 0.985 14.340 1.00 0.00 C ATOM 623 CG ASP A 41 -4.028 0.909 15.011 1.00 0.00 C ATOM 624 OD1 ASP A 41 -5.036 1.238 14.351 1.00 0.00 O ATOM 625 OD2 ASP A 41 -4.083 0.519 16.196 1.00 0.00 O ATOM 0 H ASP A 41 -4.073 3.003 14.070 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.691 2.606 15.358 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.759 0.648 13.307 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.982 0.303 14.840 1.00 0.00 H new ATOM 630 N GLY A 42 -1.265 2.971 12.153 1.00 0.00 N ATOM 631 CA GLY A 42 -0.255 3.113 11.120 1.00 0.00 C ATOM 632 C GLY A 42 -0.604 2.347 9.859 1.00 0.00 C ATOM 633 O GLY A 42 0.281 1.853 9.161 1.00 0.00 O ATOM 0 H GLY A 42 -2.205 3.252 11.875 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.133 4.169 10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.703 2.761 11.502 1.00 0.00 H new ATOM 637 N TRP A 43 -1.896 2.248 9.568 1.00 0.00 N ATOM 638 CA TRP A 43 -2.360 1.535 8.383 1.00 0.00 C ATOM 639 C TRP A 43 -3.416 2.345 7.639 1.00 0.00 C ATOM 640 O TRP A 43 -3.905 3.355 8.144 1.00 0.00 O ATOM 641 CB TRP A 43 -2.928 0.170 8.774 1.00 0.00 C ATOM 642 CG TRP A 43 -1.951 -0.689 9.519 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.480 -0.487 10.785 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.324 -1.884 9.042 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.599 -1.484 11.124 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.486 -2.355 10.072 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.390 -2.604 7.846 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.279 -3.511 9.940 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.630 -3.751 7.716 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.195 -4.196 8.758 1.00 0.00 C ATOM 0 H TRP A 43 -2.641 2.652 10.136 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.507 1.389 7.720 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.815 0.317 9.390 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.248 -0.354 7.873 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.760 0.336 11.426 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.108 -1.564 12.015 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.024 -2.270 7.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.916 -3.855 10.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.673 -4.314 6.795 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.776 -5.097 8.626 1.00 0.00 H new ATOM 661 N MET A 44 -3.762 1.895 6.438 1.00 0.00 N ATOM 662 CA MET A 44 -4.762 2.579 5.625 1.00 0.00 C ATOM 663 C MET A 44 -5.510 1.589 4.738 1.00 0.00 C ATOM 664 O MET A 44 -4.908 0.907 3.908 1.00 0.00 O ATOM 665 CB MET A 44 -4.100 3.656 4.763 1.00 0.00 C ATOM 666 CG MET A 44 -2.947 4.364 5.455 1.00 0.00 C ATOM 667 SD MET A 44 -2.303 5.746 4.492 1.00 0.00 S ATOM 668 CE MET A 44 -0.732 5.078 3.949 1.00 0.00 C ATOM 0 H MET A 44 -3.366 1.060 6.006 1.00 0.00 H new ATOM 0 HA MET A 44 -5.479 3.052 6.296 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.736 3.200 3.842 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.850 4.394 4.478 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.280 4.727 6.427 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.145 3.649 5.639 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.027 5.860 3.981 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.438 4.260 4.606 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.827 4.707 2.928 1.00 0.00 H new ATOM 678 N TRP A 45 -6.824 1.516 4.918 1.00 0.00 N ATOM 679 CA TRP A 45 -7.654 0.609 4.134 1.00 0.00 C ATOM 680 C TRP A 45 -7.693 1.036 2.670 1.00 0.00 C ATOM 681 O TRP A 45 -8.481 1.901 2.287 1.00 0.00 O ATOM 682 CB TRP A 45 -9.073 0.562 4.703 1.00 0.00 C ATOM 683 CG TRP A 45 -9.969 -0.401 3.985 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.631 -0.184 2.810 1.00 0.00 C ATOM 685 CD2 TRP A 45 -10.302 -1.731 4.396 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.356 -1.300 2.467 1.00 0.00 N ATOM 687 CE2 TRP A 45 -11.170 -2.263 3.423 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.950 -2.526 5.490 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.691 -3.551 3.514 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -10.467 -3.804 5.580 1.00 0.00 C ATOM 691 CH2 TRP A 45 -11.329 -4.307 4.596 1.00 0.00 C ATOM 0 H TRP A 45 -7.337 2.074 5.600 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.215 -0.387 4.191 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.025 0.287 5.757 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.510 1.559 4.654 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -10.591 0.730 2.235 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -11.938 -1.396 1.635 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.285 -2.148 6.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -12.357 -3.940 2.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.203 -4.426 6.423 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.715 -5.311 4.693 1.00 0.00 H new ATOM 702 N VAL A 46 -6.839 0.424 1.856 1.00 0.00 N ATOM 703 CA VAL A 46 -6.778 0.741 0.435 1.00 0.00 C ATOM 704 C VAL A 46 -7.343 -0.398 -0.407 1.00 0.00 C ATOM 705 O VAL A 46 -7.653 -1.472 0.110 1.00 0.00 O ATOM 706 CB VAL A 46 -5.333 1.028 -0.015 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.623 1.910 1.000 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.573 -0.273 -0.227 1.00 0.00 C ATOM 0 H VAL A 46 -6.180 -0.294 2.157 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.382 1.636 0.285 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.366 1.562 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.604 2.102 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.157 2.855 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.599 1.406 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.554 -0.052 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.548 -0.836 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.072 -0.865 -0.995 1.00 0.00 H new ATOM 718 N THR A 47 -7.475 -0.157 -1.707 1.00 0.00 N ATOM 719 CA THR A 47 -8.004 -1.162 -2.621 1.00 0.00 C ATOM 720 C THR A 47 -7.088 -1.346 -3.825 1.00 0.00 C ATOM 721 O THR A 47 -7.150 -0.583 -4.788 1.00 0.00 O ATOM 722 CB THR A 47 -9.413 -0.785 -3.116 1.00 0.00 C ATOM 723 OG1 THR A 47 -10.226 -0.370 -2.012 1.00 0.00 O ATOM 724 CG2 THR A 47 -10.071 -1.960 -3.823 1.00 0.00 C ATOM 0 H THR A 47 -7.223 0.726 -2.151 1.00 0.00 H new ATOM 0 HA THR A 47 -8.061 -2.097 -2.064 1.00 0.00 H new ATOM 0 HB THR A 47 -9.316 0.037 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.119 -0.130 -2.336 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.065 -1.670 -4.163 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.465 -2.254 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.155 -2.799 -3.133 1.00 0.00 H new ATOM 732 N ASN A 48 -6.237 -2.366 -3.764 1.00 0.00 N ATOM 733 CA ASN A 48 -5.307 -2.651 -4.851 1.00 0.00 C ATOM 734 C ASN A 48 -6.015 -2.598 -6.201 1.00 0.00 C ATOM 735 O ASN A 48 -7.061 -3.220 -6.391 1.00 0.00 O ATOM 736 CB ASN A 48 -4.665 -4.025 -4.653 1.00 0.00 C ATOM 737 CG ASN A 48 -3.497 -4.258 -5.592 1.00 0.00 C ATOM 738 OD1 ASN A 48 -3.637 -4.161 -6.811 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.336 -4.568 -5.026 1.00 0.00 N ATOM 0 H ASN A 48 -6.172 -3.008 -2.974 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.528 -1.888 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.323 -4.118 -3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.415 -4.800 -4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.514 -4.737 -5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.266 -4.637 -4.011 1.00 0.00 H new ATOM 746 N LEU A 49 -5.438 -1.852 -7.137 1.00 0.00 N ATOM 747 CA LEU A 49 -6.013 -1.717 -8.471 1.00 0.00 C ATOM 748 C LEU A 49 -5.791 -2.984 -9.290 1.00 0.00 C ATOM 749 O LEU A 49 -6.613 -3.342 -10.134 1.00 0.00 O ATOM 750 CB LEU A 49 -5.401 -0.516 -9.193 1.00 0.00 C ATOM 751 CG LEU A 49 -5.883 0.861 -8.733 1.00 0.00 C ATOM 752 CD1 LEU A 49 -5.091 1.961 -9.421 1.00 0.00 C ATOM 753 CD2 LEU A 49 -7.372 1.023 -9.006 1.00 0.00 C ATOM 0 H LEU A 49 -4.572 -1.331 -6.997 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.086 -1.559 -8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.318 -0.559 -9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.608 -0.614 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.719 0.942 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.448 2.933 -9.081 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.034 1.856 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.222 1.883 -10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.698 2.008 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.559 0.921 -10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.927 0.255 -8.466 1.00 0.00 H new ATOM 765 N ARG A 50 -4.676 -3.660 -9.033 1.00 0.00 N ATOM 766 CA ARG A 50 -4.346 -4.889 -9.746 1.00 0.00 C ATOM 767 C ARG A 50 -5.258 -6.032 -9.310 1.00 0.00 C ATOM 768 O ARG A 50 -5.988 -6.603 -10.121 1.00 0.00 O ATOM 769 CB ARG A 50 -2.884 -5.267 -9.503 1.00 0.00 C ATOM 770 CG ARG A 50 -2.493 -6.606 -10.108 1.00 0.00 C ATOM 771 CD ARG A 50 -1.394 -7.282 -9.302 1.00 0.00 C ATOM 772 NE ARG A 50 -0.101 -6.627 -9.484 1.00 0.00 N ATOM 773 CZ ARG A 50 1.064 -7.235 -9.290 1.00 0.00 C ATOM 774 NH1 ARG A 50 1.098 -8.505 -8.911 1.00 0.00 N ATOM 775 NH2 ARG A 50 2.198 -6.572 -9.476 1.00 0.00 N ATOM 0 H ARG A 50 -3.986 -3.378 -8.337 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.497 -4.714 -10.811 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.243 -4.489 -9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.698 -5.295 -8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.367 -7.256 -10.151 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.155 -6.458 -11.134 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.660 -7.271 -8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.316 -8.327 -9.600 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.092 -5.650 -9.776 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.228 -9.018 -8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.994 -8.969 -8.763 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.176 -5.595 -9.768 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.092 -7.039 -9.327 1.00 0.00 H new ATOM 789 N THR A 51 -5.210 -6.362 -8.023 1.00 0.00 N ATOM 790 CA THR A 51 -6.030 -7.438 -7.480 1.00 0.00 C ATOM 791 C THR A 51 -7.481 -6.998 -7.324 1.00 0.00 C ATOM 792 O THR A 51 -8.386 -7.829 -7.241 1.00 0.00 O ATOM 793 CB THR A 51 -5.500 -7.912 -6.113 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.870 -6.978 -5.093 1.00 0.00 O ATOM 795 CG2 THR A 51 -3.987 -8.065 -6.143 1.00 0.00 C ATOM 0 H THR A 51 -4.612 -5.900 -7.338 1.00 0.00 H new ATOM 0 HA THR A 51 -5.978 -8.264 -8.189 1.00 0.00 H new ATOM 0 HB THR A 51 -5.943 -8.883 -5.893 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.125 -6.866 -4.466 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.636 -8.400 -5.167 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.710 -8.799 -6.900 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.529 -7.106 -6.383 1.00 0.00 H new ATOM 803 N ASP A 52 -7.697 -5.688 -7.287 1.00 0.00 N ATOM 804 CA ASP A 52 -9.040 -5.138 -7.143 1.00 0.00 C ATOM 805 C ASP A 52 -9.681 -5.604 -5.840 1.00 0.00 C ATOM 806 O ASP A 52 -10.880 -5.876 -5.790 1.00 0.00 O ATOM 807 CB ASP A 52 -9.912 -5.548 -8.331 1.00 0.00 C ATOM 808 CG ASP A 52 -11.108 -4.635 -8.513 1.00 0.00 C ATOM 809 OD1 ASP A 52 -10.952 -3.575 -9.155 1.00 0.00 O ATOM 810 OD2 ASP A 52 -12.200 -4.979 -8.014 1.00 0.00 O ATOM 0 H ASP A 52 -6.959 -4.987 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.961 -4.051 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.310 -5.539 -9.240 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.258 -6.572 -8.188 1.00 0.00 H new ATOM 815 N GLU A 53 -8.874 -5.695 -4.788 1.00 0.00 N ATOM 816 CA GLU A 53 -9.364 -6.130 -3.485 1.00 0.00 C ATOM 817 C GLU A 53 -8.997 -5.121 -2.401 1.00 0.00 C ATOM 818 O GLU A 53 -8.157 -4.247 -2.612 1.00 0.00 O ATOM 819 CB GLU A 53 -8.790 -7.504 -3.133 1.00 0.00 C ATOM 820 CG GLU A 53 -9.418 -8.645 -3.916 1.00 0.00 C ATOM 821 CD GLU A 53 -9.153 -9.999 -3.288 1.00 0.00 C ATOM 822 OE1 GLU A 53 -9.794 -10.315 -2.265 1.00 0.00 O ATOM 823 OE2 GLU A 53 -8.303 -10.744 -3.821 1.00 0.00 O ATOM 0 H GLU A 53 -7.879 -5.474 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.450 -6.200 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.715 -7.497 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.931 -7.685 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.494 -8.485 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.030 -8.639 -4.934 1.00 0.00 H new ATOM 830 N GLN A 54 -9.634 -5.249 -1.241 1.00 0.00 N ATOM 831 CA GLN A 54 -9.376 -4.348 -0.125 1.00 0.00 C ATOM 832 C GLN A 54 -8.648 -5.072 1.003 1.00 0.00 C ATOM 833 O GLN A 54 -8.707 -6.296 1.107 1.00 0.00 O ATOM 834 CB GLN A 54 -10.688 -3.758 0.396 1.00 0.00 C ATOM 835 CG GLN A 54 -11.461 -2.974 -0.653 1.00 0.00 C ATOM 836 CD GLN A 54 -12.311 -3.865 -1.538 1.00 0.00 C ATOM 837 OE1 GLN A 54 -11.790 -4.654 -2.327 1.00 0.00 O ATOM 838 NE2 GLN A 54 -13.627 -3.742 -1.411 1.00 0.00 N ATOM 0 H GLN A 54 -10.332 -5.968 -1.050 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.739 -3.540 -0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.317 -4.566 0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.473 -3.104 1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.101 -2.244 -0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.760 -2.415 -1.273 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.015 -3.075 -0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -14.250 -4.315 -1.980 1.00 0.00 H new ATOM 847 N GLY A 55 -7.960 -4.306 1.845 1.00 0.00 N ATOM 848 CA GLY A 55 -7.230 -4.893 2.953 1.00 0.00 C ATOM 849 C GLY A 55 -6.512 -3.853 3.789 1.00 0.00 C ATOM 850 O GLY A 55 -6.944 -2.702 3.869 1.00 0.00 O ATOM 0 H GLY A 55 -7.895 -3.290 1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.922 -5.449 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.504 -5.609 2.567 1.00 0.00 H new ATOM 854 N LEU A 56 -5.413 -4.257 4.417 1.00 0.00 N ATOM 855 CA LEU A 56 -4.633 -3.351 5.254 1.00 0.00 C ATOM 856 C LEU A 56 -3.180 -3.299 4.793 1.00 0.00 C ATOM 857 O LEU A 56 -2.597 -4.321 4.428 1.00 0.00 O ATOM 858 CB LEU A 56 -4.700 -3.792 6.717 1.00 0.00 C ATOM 859 CG LEU A 56 -6.029 -3.545 7.432 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.115 -4.379 8.701 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.195 -2.066 7.752 1.00 0.00 C ATOM 0 H LEU A 56 -5.042 -5.206 4.363 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.060 -2.352 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.477 -4.858 6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.913 -3.277 7.267 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.839 -3.846 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.067 -4.190 9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.041 -5.436 8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.298 -4.109 9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.146 -1.908 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.380 -1.740 8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.178 -1.490 6.827 1.00 0.00 H new ATOM 873 N ILE A 57 -2.600 -2.104 4.813 1.00 0.00 N ATOM 874 CA ILE A 57 -1.215 -1.920 4.401 1.00 0.00 C ATOM 875 C ILE A 57 -0.518 -0.873 5.264 1.00 0.00 C ATOM 876 O ILE A 57 -1.161 0.023 5.812 1.00 0.00 O ATOM 877 CB ILE A 57 -1.119 -1.497 2.923 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.698 -0.093 2.733 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.843 -2.499 2.037 1.00 0.00 C ATOM 880 CD1 ILE A 57 -1.102 0.653 1.560 1.00 0.00 C ATOM 0 H ILE A 57 -3.069 -1.248 5.110 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.718 -2.882 4.529 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.068 -1.479 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.776 -0.169 2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.533 0.485 3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.766 -2.186 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.389 -3.483 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.893 -2.547 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.559 1.640 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.027 0.761 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.290 0.097 0.642 1.00 0.00 H new ATOM 892 N VAL A 58 0.801 -0.992 5.380 1.00 0.00 N ATOM 893 CA VAL A 58 1.586 -0.054 6.174 1.00 0.00 C ATOM 894 C VAL A 58 2.082 1.108 5.321 1.00 0.00 C ATOM 895 O VAL A 58 2.406 0.934 4.146 1.00 0.00 O ATOM 896 CB VAL A 58 2.795 -0.749 6.828 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.835 -1.111 5.779 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.399 0.139 7.906 1.00 0.00 C ATOM 0 H VAL A 58 1.348 -1.728 4.934 1.00 0.00 H new ATOM 0 HA VAL A 58 0.929 0.328 6.955 1.00 0.00 H new ATOM 0 HB VAL A 58 2.453 -1.671 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.682 -1.601 6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.393 -1.786 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.177 -0.205 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.252 -0.367 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.728 1.078 7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.650 0.342 8.672 1.00 0.00 H new ATOM 908 N GLU A 59 2.138 2.293 5.920 1.00 0.00 N ATOM 909 CA GLU A 59 2.594 3.484 5.214 1.00 0.00 C ATOM 910 C GLU A 59 4.113 3.479 5.062 1.00 0.00 C ATOM 911 O GLU A 59 4.679 4.305 4.346 1.00 0.00 O ATOM 912 CB GLU A 59 2.150 4.746 5.956 1.00 0.00 C ATOM 913 CG GLU A 59 2.987 5.056 7.186 1.00 0.00 C ATOM 914 CD GLU A 59 2.806 6.481 7.671 1.00 0.00 C ATOM 915 OE1 GLU A 59 1.864 6.728 8.452 1.00 0.00 O ATOM 916 OE2 GLU A 59 3.608 7.350 7.268 1.00 0.00 O ATOM 0 H GLU A 59 1.873 2.454 6.892 1.00 0.00 H new ATOM 0 HA GLU A 59 2.146 3.479 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.196 5.594 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.108 4.634 6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.718 4.367 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.039 4.885 6.958 1.00 0.00 H new ATOM 923 N ASP A 60 4.766 2.542 5.742 1.00 0.00 N ATOM 924 CA ASP A 60 6.218 2.428 5.683 1.00 0.00 C ATOM 925 C ASP A 60 6.652 1.634 4.456 1.00 0.00 C ATOM 926 O ASP A 60 7.843 1.530 4.158 1.00 0.00 O ATOM 927 CB ASP A 60 6.750 1.760 6.952 1.00 0.00 C ATOM 928 CG ASP A 60 6.452 2.568 8.200 1.00 0.00 C ATOM 929 OD1 ASP A 60 6.774 3.774 8.217 1.00 0.00 O ATOM 930 OD2 ASP A 60 5.898 1.993 9.161 1.00 0.00 O ATOM 0 H ASP A 60 4.312 1.851 6.340 1.00 0.00 H new ATOM 0 HA ASP A 60 6.634 3.433 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.307 0.769 7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.827 1.621 6.862 1.00 0.00 H new ATOM 935 N LEU A 61 5.679 1.073 3.746 1.00 0.00 N ATOM 936 CA LEU A 61 5.959 0.286 2.550 1.00 0.00 C ATOM 937 C LEU A 61 5.479 1.011 1.297 1.00 0.00 C ATOM 938 O LEU A 61 5.916 0.709 0.186 1.00 0.00 O ATOM 939 CB LEU A 61 5.289 -1.085 2.649 1.00 0.00 C ATOM 940 CG LEU A 61 5.984 -2.109 3.546 1.00 0.00 C ATOM 941 CD1 LEU A 61 5.093 -3.322 3.762 1.00 0.00 C ATOM 942 CD2 LEU A 61 7.319 -2.525 2.945 1.00 0.00 C ATOM 0 H LEU A 61 4.689 1.149 3.978 1.00 0.00 H new ATOM 0 HA LEU A 61 7.038 0.151 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.271 -0.944 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.213 -1.503 1.645 1.00 0.00 H new ATOM 0 HG LEU A 61 6.173 -1.646 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.605 -4.040 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.163 -3.010 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.872 -3.787 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.800 -3.254 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.154 -2.969 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.961 -1.650 2.844 1.00 0.00 H new ATOM 954 N VAL A 62 4.578 1.970 1.482 1.00 0.00 N ATOM 955 CA VAL A 62 4.040 2.741 0.367 1.00 0.00 C ATOM 956 C VAL A 62 4.549 4.178 0.396 1.00 0.00 C ATOM 957 O VAL A 62 4.924 4.692 1.449 1.00 0.00 O ATOM 958 CB VAL A 62 2.500 2.753 0.384 1.00 0.00 C ATOM 959 CG1 VAL A 62 1.952 1.364 0.095 1.00 0.00 C ATOM 960 CG2 VAL A 62 1.986 3.271 1.719 1.00 0.00 C ATOM 0 H VAL A 62 4.205 2.232 2.394 1.00 0.00 H new ATOM 0 HA VAL A 62 4.382 2.256 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 62 2.151 3.425 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.862 1.392 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.292 1.036 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.308 0.667 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.896 3.273 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.344 2.626 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.350 4.286 1.880 1.00 0.00 H new ATOM 970 N GLU A 63 4.559 4.820 -0.768 1.00 0.00 N ATOM 971 CA GLU A 63 5.022 6.198 -0.875 1.00 0.00 C ATOM 972 C GLU A 63 4.095 7.016 -1.770 1.00 0.00 C ATOM 973 O GLU A 63 3.534 6.499 -2.735 1.00 0.00 O ATOM 974 CB GLU A 63 6.449 6.238 -1.428 1.00 0.00 C ATOM 975 CG GLU A 63 6.513 6.258 -2.946 1.00 0.00 C ATOM 976 CD GLU A 63 7.928 6.415 -3.468 1.00 0.00 C ATOM 977 OE1 GLU A 63 8.739 7.080 -2.790 1.00 0.00 O ATOM 978 OE2 GLU A 63 8.224 5.874 -4.553 1.00 0.00 O ATOM 0 H GLU A 63 4.252 4.408 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 63 5.014 6.636 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.956 7.122 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.996 5.370 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.086 5.334 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.898 7.076 -3.321 1.00 0.00 H new ATOM 985 N GLU A 64 3.941 8.294 -1.441 1.00 0.00 N ATOM 986 CA GLU A 64 3.081 9.183 -2.214 1.00 0.00 C ATOM 987 C GLU A 64 3.520 9.230 -3.675 1.00 0.00 C ATOM 988 O GLU A 64 4.692 9.458 -3.975 1.00 0.00 O ATOM 989 CB GLU A 64 3.100 10.592 -1.619 1.00 0.00 C ATOM 990 CG GLU A 64 2.045 10.815 -0.548 1.00 0.00 C ATOM 991 CD GLU A 64 2.503 10.363 0.825 1.00 0.00 C ATOM 992 OE1 GLU A 64 3.560 10.844 1.285 1.00 0.00 O ATOM 993 OE2 GLU A 64 1.806 9.529 1.439 1.00 0.00 O ATOM 0 H GLU A 64 4.400 8.737 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 64 2.065 8.792 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.085 10.784 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.952 11.317 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.788 11.874 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.137 10.276 -0.820 1.00 0.00 H new