USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 ASN : amide:sc= -0.428 K(o=-0.46,f=-8!) USER MOD Set 1.2: A 79 THR OG1 : rot -11:sc= -0.0303! USER MOD Single : A 5 THR OG1 : rot 34:sc= 0.598 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00738 USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= 0.057 (180deg=-0.835) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 136:sc= -2.31 (180deg=-6.3!) USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00402) USER MOD Single : A 32 LYS NZ :NH3+ 139:sc= 1.78 (180deg=-0.491) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.0812 (180deg=-0.427) USER MOD Single : A 35 SER OG : rot -170:sc= -1.21 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= -0.245 (180deg=-1.19!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.611 USER MOD Single : A 49 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.38) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.03 K(o=-0.03,f=-0.77) USER MOD Single : A 52 HIS : no HD1:sc= -0.624 X(o=-0.62,f=-0.77) USER MOD Single : A 57 SER OG : rot 180:sc= 0.104 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.4!) USER MOD Single : A 61 SER OG : rot -42:sc= 0.435 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0.0199 K(o=0.02,f=-0.53) USER MOD Single : A 80 THR OG1 : rot -61:sc= 0.694 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -0.403 K(o=-0.4,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 -10.611 17.091 -4.166 1.00 0.00 N ATOM 23 CA PHE A 2 -11.378 16.171 -3.333 1.00 0.00 C ATOM 24 C PHE A 2 -10.784 14.767 -3.391 1.00 0.00 C ATOM 25 O PHE A 2 -10.607 14.207 -4.469 1.00 0.00 O ATOM 26 CB PHE A 2 -12.840 16.139 -3.782 1.00 0.00 C ATOM 27 CG PHE A 2 -13.742 15.402 -2.834 1.00 0.00 C ATOM 28 CD1 PHE A 2 -14.025 15.920 -1.581 1.00 0.00 C ATOM 29 CD2 PHE A 2 -14.309 14.190 -3.198 1.00 0.00 C ATOM 30 CE1 PHE A 2 -14.856 15.244 -0.707 1.00 0.00 C ATOM 31 CE2 PHE A 2 -15.140 13.509 -2.328 1.00 0.00 C ATOM 32 CZ PHE A 2 -15.414 14.037 -1.082 1.00 0.00 C ATOM 0 HA PHE A 2 -11.332 16.525 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -13.200 17.162 -3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -12.900 15.672 -4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -13.591 16.863 -1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -14.099 13.773 -4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -15.069 15.659 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -15.574 12.565 -2.623 1.00 0.00 H new ATOM 0 HZ PHE A 2 -16.064 13.507 -0.401 1.00 0.00 H new ATOM 42 N ILE A 3 -10.479 14.217 -2.216 1.00 0.00 N ATOM 43 CA ILE A 3 -9.899 12.878 -2.098 1.00 0.00 C ATOM 44 C ILE A 3 -8.684 12.697 -3.012 1.00 0.00 C ATOM 45 O ILE A 3 -8.774 12.843 -4.229 1.00 0.00 O ATOM 46 CB ILE A 3 -10.951 11.768 -2.367 1.00 0.00 C ATOM 47 CG1 ILE A 3 -10.566 10.491 -1.618 1.00 0.00 C ATOM 48 CG2 ILE A 3 -11.118 11.480 -3.856 1.00 0.00 C ATOM 49 CD1 ILE A 3 -11.159 10.405 -0.228 1.00 0.00 C ATOM 0 H ILE A 3 -10.626 14.685 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.560 12.779 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.912 12.130 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.891 9.627 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.480 10.435 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.864 10.697 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.444 12.386 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.166 11.151 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.845 9.474 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.813 11.250 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.247 10.429 -0.294 1.00 0.00 H new ATOM 61 N ALA A 4 -7.544 12.379 -2.408 1.00 0.00 N ATOM 62 CA ALA A 4 -6.312 12.179 -3.161 1.00 0.00 C ATOM 63 C ALA A 4 -6.199 10.742 -3.656 1.00 0.00 C ATOM 64 O ALA A 4 -5.888 9.832 -2.886 1.00 0.00 O ATOM 65 CB ALA A 4 -5.105 12.543 -2.308 1.00 0.00 C ATOM 0 H ALA A 4 -7.448 12.254 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.337 12.835 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.193 12.388 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.173 13.589 -2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.084 11.912 -1.419 1.00 0.00 H new ATOM 71 N THR A 5 -6.456 10.544 -4.944 1.00 0.00 N ATOM 72 CA THR A 5 -6.385 9.217 -5.543 1.00 0.00 C ATOM 73 C THR A 5 -5.370 9.189 -6.683 1.00 0.00 C ATOM 74 O THR A 5 -5.509 9.910 -7.670 1.00 0.00 O ATOM 75 CB THR A 5 -7.761 8.794 -6.060 1.00 0.00 C ATOM 76 OG1 THR A 5 -8.151 9.594 -7.163 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.851 8.895 -5.014 1.00 0.00 C ATOM 0 H THR A 5 -6.716 11.286 -5.594 1.00 0.00 H new ATOM 0 HA THR A 5 -6.062 8.515 -4.774 1.00 0.00 H new ATOM 0 HB THR A 5 -7.651 7.749 -6.349 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.359 9.839 -7.686 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.801 8.580 -5.447 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.606 8.251 -4.170 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.932 9.927 -4.672 1.00 0.00 H new ATOM 85 N LEU A 6 -4.347 8.350 -6.537 1.00 0.00 N ATOM 86 CA LEU A 6 -3.308 8.228 -7.553 1.00 0.00 C ATOM 87 C LEU A 6 -2.730 6.817 -7.572 1.00 0.00 C ATOM 88 O LEU A 6 -2.474 6.227 -6.523 1.00 0.00 O ATOM 89 CB LEU A 6 -2.193 9.245 -7.296 1.00 0.00 C ATOM 90 CG LEU A 6 -1.640 9.251 -5.869 1.00 0.00 C ATOM 91 CD1 LEU A 6 -0.142 9.512 -5.877 1.00 0.00 C ATOM 92 CD2 LEU A 6 -2.360 10.291 -5.024 1.00 0.00 C ATOM 0 H LEU A 6 -4.217 7.746 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.758 8.430 -8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.373 9.045 -7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.570 10.241 -7.528 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.814 8.269 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.233 9.513 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.360 8.730 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.056 10.480 -6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.954 10.282 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.218 11.278 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.424 10.059 -4.990 1.00 0.00 H new ATOM 104 N LYS A 7 -2.526 6.281 -8.772 1.00 0.00 N ATOM 105 CA LYS A 7 -1.978 4.939 -8.926 1.00 0.00 C ATOM 106 C LYS A 7 -0.545 4.993 -9.451 1.00 0.00 C ATOM 107 O LYS A 7 -0.292 5.522 -10.534 1.00 0.00 O ATOM 108 CB LYS A 7 -2.852 4.111 -9.873 1.00 0.00 C ATOM 109 CG LYS A 7 -4.344 4.267 -9.622 1.00 0.00 C ATOM 110 CD LYS A 7 -5.158 3.334 -10.506 1.00 0.00 C ATOM 111 CE LYS A 7 -6.629 3.334 -10.116 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.520 3.440 -11.306 1.00 0.00 N ATOM 0 H LYS A 7 -2.732 6.756 -9.651 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.969 4.463 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.633 4.400 -10.901 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.584 3.059 -9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.562 4.059 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.640 5.299 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.057 3.639 -11.548 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.761 2.322 -10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.860 2.419 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.825 4.166 -9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.513 3.437 -10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.318 4.325 -11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.351 2.632 -11.939 1.00 0.00 H new ATOM 126 N GLY A 8 0.386 4.447 -8.676 1.00 0.00 N ATOM 127 CA GLY A 8 1.781 4.448 -9.079 1.00 0.00 C ATOM 128 C GLY A 8 2.252 3.086 -9.551 1.00 0.00 C ATOM 129 O GLY A 8 1.658 2.063 -9.208 1.00 0.00 O ATOM 0 H GLY A 8 0.200 4.004 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.924 5.175 -9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.398 4.771 -8.240 1.00 0.00 H new ATOM 133 N ILE A 9 3.320 3.071 -10.341 1.00 0.00 N ATOM 134 CA ILE A 9 3.869 1.826 -10.865 1.00 0.00 C ATOM 135 C ILE A 9 5.384 1.773 -10.681 1.00 0.00 C ATOM 136 O ILE A 9 6.072 2.785 -10.816 1.00 0.00 O ATOM 137 CB ILE A 9 3.534 1.649 -12.360 1.00 0.00 C ATOM 138 CG1 ILE A 9 2.022 1.720 -12.580 1.00 0.00 C ATOM 139 CG2 ILE A 9 4.090 0.331 -12.883 1.00 0.00 C ATOM 140 CD1 ILE A 9 1.265 0.560 -11.969 1.00 0.00 C ATOM 0 H ILE A 9 3.823 3.909 -10.633 1.00 0.00 H new ATOM 0 HA ILE A 9 3.410 1.014 -10.301 1.00 0.00 H new ATOM 0 HB ILE A 9 4.003 2.461 -12.916 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.645 2.652 -12.158 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.820 1.751 -13.651 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.843 0.225 -13.939 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.173 0.319 -12.761 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.653 -0.496 -12.324 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.199 0.678 -12.165 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.614 -0.374 -12.409 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.436 0.540 -10.893 1.00 0.00 H new ATOM 152 N PHE A 10 5.894 0.585 -10.379 1.00 0.00 N ATOM 153 CA PHE A 10 7.325 0.390 -10.183 1.00 0.00 C ATOM 154 C PHE A 10 7.890 -0.529 -11.261 1.00 0.00 C ATOM 155 O PHE A 10 7.576 -1.719 -11.300 1.00 0.00 O ATOM 156 CB PHE A 10 7.596 -0.204 -8.799 1.00 0.00 C ATOM 157 CG PHE A 10 8.092 0.797 -7.793 1.00 0.00 C ATOM 158 CD1 PHE A 10 7.220 1.699 -7.204 1.00 0.00 C ATOM 159 CD2 PHE A 10 9.429 0.832 -7.434 1.00 0.00 C ATOM 160 CE1 PHE A 10 7.674 2.618 -6.275 1.00 0.00 C ATOM 161 CE2 PHE A 10 9.889 1.747 -6.507 1.00 0.00 C ATOM 162 CZ PHE A 10 9.010 2.640 -5.926 1.00 0.00 C ATOM 0 H PHE A 10 5.335 -0.261 -10.264 1.00 0.00 H new ATOM 0 HA PHE A 10 7.817 1.360 -10.254 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.679 -0.658 -8.423 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.331 -1.003 -8.895 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.174 1.684 -7.473 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.121 0.135 -7.884 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.985 3.317 -5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.935 1.764 -6.237 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.367 3.355 -5.199 1.00 0.00 H new ATOM 172 N THR A 11 8.718 0.030 -12.138 1.00 0.00 N ATOM 173 CA THR A 11 9.318 -0.744 -13.219 1.00 0.00 C ATOM 174 C THR A 11 10.735 -1.172 -12.871 1.00 0.00 C ATOM 175 O THR A 11 11.670 -0.365 -12.897 1.00 0.00 O ATOM 176 CB THR A 11 9.317 0.062 -14.518 1.00 0.00 C ATOM 177 OG1 THR A 11 9.752 1.390 -14.286 1.00 0.00 O ATOM 178 CG2 THR A 11 7.955 0.134 -15.175 1.00 0.00 C ATOM 0 H THR A 11 8.988 1.013 -12.122 1.00 0.00 H new ATOM 0 HA THR A 11 8.716 -1.642 -13.358 1.00 0.00 H new ATOM 0 HB THR A 11 9.999 -0.465 -15.185 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.746 1.888 -15.130 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.024 0.720 -16.092 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.612 -0.873 -15.413 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.247 0.607 -14.494 1.00 0.00 H new ATOM 186 N LEU A 12 10.883 -2.452 -12.551 1.00 0.00 N ATOM 187 CA LEU A 12 12.178 -3.010 -12.198 1.00 0.00 C ATOM 188 C LEU A 12 12.781 -2.271 -11.012 1.00 0.00 C ATOM 189 O LEU A 12 12.736 -1.044 -10.940 1.00 0.00 O ATOM 190 CB LEU A 12 13.129 -2.942 -13.396 1.00 0.00 C ATOM 191 CG LEU A 12 12.721 -3.795 -14.599 1.00 0.00 C ATOM 192 CD1 LEU A 12 13.784 -3.726 -15.685 1.00 0.00 C ATOM 193 CD2 LEU A 12 12.485 -5.237 -14.175 1.00 0.00 C ATOM 0 H LEU A 12 10.116 -3.124 -12.529 1.00 0.00 H new ATOM 0 HA LEU A 12 12.034 -4.053 -11.917 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.210 -1.904 -13.717 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.122 -3.253 -13.070 1.00 0.00 H new ATOM 0 HG LEU A 12 11.789 -3.398 -15.003 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.478 -4.338 -16.533 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.907 -2.693 -16.009 1.00 0.00 H new ATOM 0 HD13 LEU A 12 14.730 -4.098 -15.292 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.196 -5.829 -15.043 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.401 -5.645 -13.747 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.689 -5.272 -13.431 1.00 0.00 H new ATOM 205 N LYS A 13 13.353 -3.026 -10.082 1.00 0.00 N ATOM 206 CA LYS A 13 13.977 -2.441 -8.898 1.00 0.00 C ATOM 207 C LYS A 13 14.845 -1.244 -9.282 1.00 0.00 C ATOM 208 O LYS A 13 15.031 -0.318 -8.492 1.00 0.00 O ATOM 209 CB LYS A 13 14.823 -3.484 -8.167 1.00 0.00 C ATOM 210 CG LYS A 13 14.817 -3.321 -6.657 1.00 0.00 C ATOM 211 CD LYS A 13 13.795 -4.235 -6.003 1.00 0.00 C ATOM 212 CE LYS A 13 14.309 -5.662 -5.895 1.00 0.00 C ATOM 213 NZ LYS A 13 13.586 -6.583 -6.814 1.00 0.00 N ATOM 0 H LYS A 13 13.399 -4.044 -10.123 1.00 0.00 H new ATOM 0 HA LYS A 13 13.185 -2.100 -8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.455 -4.479 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.850 -3.424 -8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 13 15.809 -3.541 -6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.595 -2.285 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.553 -3.859 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.872 -4.223 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.374 -5.683 -6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.197 -6.012 -4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.776 -7.568 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.564 -6.399 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.912 -6.427 -7.789 1.00 0.00 H new ATOM 227 N ASP A 14 15.365 -1.268 -10.509 1.00 0.00 N ATOM 228 CA ASP A 14 16.202 -0.188 -11.011 1.00 0.00 C ATOM 229 C ASP A 14 15.508 1.160 -10.843 1.00 0.00 C ATOM 230 O ASP A 14 16.082 2.095 -10.286 1.00 0.00 O ATOM 231 CB ASP A 14 16.538 -0.418 -12.486 1.00 0.00 C ATOM 232 CG ASP A 14 17.951 0.010 -12.832 1.00 0.00 C ATOM 233 OD1 ASP A 14 18.261 1.212 -12.682 1.00 0.00 O ATOM 234 OD2 ASP A 14 18.747 -0.854 -13.253 1.00 0.00 O ATOM 0 H ASP A 14 15.218 -2.028 -11.173 1.00 0.00 H new ATOM 0 HA ASP A 14 17.125 -0.178 -10.431 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.413 -1.474 -12.724 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.832 0.134 -13.107 1.00 0.00 H new ATOM 239 N LEU A 15 14.266 1.253 -11.319 1.00 0.00 N ATOM 240 CA LEU A 15 13.499 2.489 -11.209 1.00 0.00 C ATOM 241 C LEU A 15 12.823 2.576 -9.841 1.00 0.00 C ATOM 242 O LEU A 15 11.893 1.821 -9.557 1.00 0.00 O ATOM 243 CB LEU A 15 12.450 2.560 -12.324 1.00 0.00 C ATOM 244 CG LEU A 15 11.650 3.866 -12.412 1.00 0.00 C ATOM 245 CD1 LEU A 15 10.329 3.732 -11.670 1.00 0.00 C ATOM 246 CD2 LEU A 15 12.452 5.041 -11.867 1.00 0.00 C ATOM 0 H LEU A 15 13.773 0.489 -11.782 1.00 0.00 H new ATOM 0 HA LEU A 15 14.181 3.333 -11.313 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.951 2.399 -13.278 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.749 1.736 -12.189 1.00 0.00 H new ATOM 0 HG LEU A 15 11.441 4.062 -13.464 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.774 4.668 -11.743 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.743 2.927 -12.113 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.522 3.505 -10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.859 5.953 -11.943 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.703 4.857 -10.822 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.369 5.155 -12.446 1.00 0.00 H new ATOM 258 N PRO A 16 13.290 3.485 -8.962 1.00 0.00 N ATOM 259 CA PRO A 16 12.738 3.643 -7.624 1.00 0.00 C ATOM 260 C PRO A 16 11.666 4.715 -7.544 1.00 0.00 C ATOM 261 O PRO A 16 11.503 5.375 -6.519 1.00 0.00 O ATOM 262 CB PRO A 16 13.966 4.048 -6.819 1.00 0.00 C ATOM 263 CG PRO A 16 14.838 4.799 -7.782 1.00 0.00 C ATOM 264 CD PRO A 16 14.405 4.418 -9.182 1.00 0.00 C ATOM 0 HA PRO A 16 12.238 2.741 -7.271 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.691 4.671 -5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.481 3.174 -6.420 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.740 5.874 -7.630 1.00 0.00 H new ATOM 0 HG3 PRO A 16 15.887 4.549 -7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.090 5.290 -9.755 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.216 3.948 -9.738 1.00 0.00 H new ATOM 272 N GLU A 17 10.935 4.862 -8.632 1.00 0.00 N ATOM 273 CA GLU A 17 9.849 5.837 -8.735 1.00 0.00 C ATOM 274 C GLU A 17 10.349 7.287 -8.662 1.00 0.00 C ATOM 275 O GLU A 17 9.927 8.124 -9.459 1.00 0.00 O ATOM 276 CB GLU A 17 8.770 5.558 -7.671 1.00 0.00 C ATOM 277 CG GLU A 17 8.843 6.426 -6.419 1.00 0.00 C ATOM 278 CD GLU A 17 7.976 7.666 -6.517 1.00 0.00 C ATOM 279 OE1 GLU A 17 8.047 8.359 -7.553 1.00 0.00 O ATOM 280 OE2 GLU A 17 7.226 7.943 -5.558 1.00 0.00 O ATOM 0 H GLU A 17 11.073 4.309 -9.478 1.00 0.00 H new ATOM 0 HA GLU A 17 9.400 5.719 -9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.790 5.692 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.841 4.512 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.533 5.838 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.878 6.723 -6.247 1.00 0.00 H new ATOM 287 N GLU A 18 11.243 7.587 -7.717 1.00 0.00 N ATOM 288 CA GLU A 18 11.772 8.943 -7.576 1.00 0.00 C ATOM 289 C GLU A 18 12.760 9.053 -6.421 1.00 0.00 C ATOM 290 O GLU A 18 13.663 9.890 -6.445 1.00 0.00 O ATOM 291 CB GLU A 18 10.631 9.943 -7.367 1.00 0.00 C ATOM 292 CG GLU A 18 11.095 11.389 -7.292 1.00 0.00 C ATOM 293 CD GLU A 18 10.169 12.257 -6.463 1.00 0.00 C ATOM 294 OE1 GLU A 18 9.815 11.844 -5.339 1.00 0.00 O ATOM 295 OE2 GLU A 18 9.797 13.350 -6.939 1.00 0.00 O ATOM 0 H GLU A 18 11.612 6.915 -7.044 1.00 0.00 H new ATOM 0 HA GLU A 18 12.302 9.177 -8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.916 9.842 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.103 9.692 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.097 11.423 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.164 11.797 -8.300 1.00 0.00 H new ATOM 302 N PHE A 19 12.581 8.220 -5.409 1.00 0.00 N ATOM 303 CA PHE A 19 13.457 8.244 -4.242 1.00 0.00 C ATOM 304 C PHE A 19 13.588 6.867 -3.607 1.00 0.00 C ATOM 305 O PHE A 19 12.952 6.571 -2.596 1.00 0.00 O ATOM 306 CB PHE A 19 12.931 9.236 -3.210 1.00 0.00 C ATOM 307 CG PHE A 19 14.008 9.846 -2.360 1.00 0.00 C ATOM 308 CD1 PHE A 19 15.164 10.346 -2.937 1.00 0.00 C ATOM 309 CD2 PHE A 19 13.864 9.917 -0.984 1.00 0.00 C ATOM 310 CE1 PHE A 19 16.157 10.907 -2.156 1.00 0.00 C ATOM 311 CE2 PHE A 19 14.854 10.476 -0.198 1.00 0.00 C ATOM 312 CZ PHE A 19 16.002 10.972 -0.786 1.00 0.00 C ATOM 0 H PHE A 19 11.840 7.520 -5.369 1.00 0.00 H new ATOM 0 HA PHE A 19 14.445 8.555 -4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 19 12.392 10.031 -3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.213 8.730 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.291 10.297 -4.008 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.968 9.531 -0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 19 17.053 11.294 -2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.731 10.525 0.874 1.00 0.00 H new ATOM 0 HZ PHE A 19 16.777 11.410 -0.174 1.00 0.00 H new ATOM 322 N ARG A 20 14.430 6.038 -4.202 1.00 0.00 N ATOM 323 CA ARG A 20 14.670 4.689 -3.696 1.00 0.00 C ATOM 324 C ARG A 20 13.393 3.854 -3.711 1.00 0.00 C ATOM 325 O ARG A 20 12.294 4.378 -3.525 1.00 0.00 O ATOM 326 CB ARG A 20 15.235 4.750 -2.276 1.00 0.00 C ATOM 327 CG ARG A 20 16.374 5.745 -2.118 1.00 0.00 C ATOM 328 CD ARG A 20 17.528 5.152 -1.326 1.00 0.00 C ATOM 329 NE ARG A 20 18.410 4.346 -2.165 1.00 0.00 N ATOM 330 CZ ARG A 20 19.319 4.858 -2.992 1.00 0.00 C ATOM 331 NH1 ARG A 20 19.475 6.172 -3.086 1.00 0.00 N ATOM 332 NH2 ARG A 20 20.074 4.053 -3.727 1.00 0.00 N ATOM 0 H ARG A 20 14.963 6.273 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 20 15.396 4.211 -4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.434 5.015 -1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 20 15.587 3.759 -1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.728 6.054 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 20 16.009 6.640 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.102 5.956 -0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.134 4.536 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 20 18.325 3.331 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.897 6.796 -2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.173 6.559 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 20 19.958 3.042 -3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.771 4.445 -4.361 1.00 0.00 H new ATOM 346 N PRO A 21 13.521 2.536 -3.940 1.00 0.00 N ATOM 347 CA PRO A 21 12.386 1.625 -3.984 1.00 0.00 C ATOM 348 C PRO A 21 12.064 1.024 -2.621 1.00 0.00 C ATOM 349 O PRO A 21 12.877 0.303 -2.043 1.00 0.00 O ATOM 350 CB PRO A 21 12.883 0.546 -4.939 1.00 0.00 C ATOM 351 CG PRO A 21 14.352 0.462 -4.677 1.00 0.00 C ATOM 352 CD PRO A 21 14.790 1.822 -4.180 1.00 0.00 C ATOM 0 HA PRO A 21 11.463 2.117 -4.292 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.391 -0.408 -4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.679 0.810 -5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.568 -0.308 -3.936 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.891 0.191 -5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.383 1.743 -3.269 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.406 2.338 -4.917 1.00 0.00 H new ATOM 360 N PHE A 22 10.874 1.322 -2.115 1.00 0.00 N ATOM 361 CA PHE A 22 10.444 0.804 -0.821 1.00 0.00 C ATOM 362 C PHE A 22 10.037 -0.661 -0.945 1.00 0.00 C ATOM 363 O PHE A 22 10.204 -1.447 -0.013 1.00 0.00 O ATOM 364 CB PHE A 22 9.273 1.626 -0.271 1.00 0.00 C ATOM 365 CG PHE A 22 9.322 3.079 -0.650 1.00 0.00 C ATOM 366 CD1 PHE A 22 10.065 3.980 0.096 1.00 0.00 C ATOM 367 CD2 PHE A 22 8.626 3.544 -1.755 1.00 0.00 C ATOM 368 CE1 PHE A 22 10.113 5.317 -0.251 1.00 0.00 C ATOM 369 CE2 PHE A 22 8.671 4.880 -2.108 1.00 0.00 C ATOM 370 CZ PHE A 22 9.415 5.767 -1.355 1.00 0.00 C ATOM 0 H PHE A 22 10.190 1.919 -2.580 1.00 0.00 H new ATOM 0 HA PHE A 22 11.281 0.882 -0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.338 1.197 -0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.262 1.544 0.816 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.613 3.633 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.042 2.855 -2.347 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.695 6.009 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.125 5.230 -2.972 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.451 6.811 -1.629 1.00 0.00 H new ATOM 380 N VAL A 23 9.506 -1.018 -2.110 1.00 0.00 N ATOM 381 CA VAL A 23 9.073 -2.384 -2.375 1.00 0.00 C ATOM 382 C VAL A 23 10.242 -3.366 -2.282 1.00 0.00 C ATOM 383 O VAL A 23 10.042 -4.572 -2.133 1.00 0.00 O ATOM 384 CB VAL A 23 8.427 -2.490 -3.771 1.00 0.00 C ATOM 385 CG1 VAL A 23 9.419 -2.099 -4.855 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.881 -3.889 -4.018 1.00 0.00 C ATOM 0 H VAL A 23 9.365 -0.375 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 23 8.336 -2.644 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 23 7.590 -1.793 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.942 -2.181 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.745 -1.071 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.282 -2.764 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.431 -3.934 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.693 -4.613 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.127 -4.123 -3.267 1.00 0.00 H new ATOM 396 N ASP A 24 11.463 -2.845 -2.372 1.00 0.00 N ATOM 397 CA ASP A 24 12.663 -3.675 -2.302 1.00 0.00 C ATOM 398 C ASP A 24 12.599 -4.656 -1.135 1.00 0.00 C ATOM 399 O ASP A 24 13.017 -5.807 -1.259 1.00 0.00 O ATOM 400 CB ASP A 24 13.908 -2.794 -2.174 1.00 0.00 C ATOM 401 CG ASP A 24 15.192 -3.599 -2.199 1.00 0.00 C ATOM 402 OD1 ASP A 24 15.351 -4.436 -3.112 1.00 0.00 O ATOM 403 OD2 ASP A 24 16.040 -3.391 -1.305 1.00 0.00 O ATOM 0 H ASP A 24 11.648 -1.849 -2.494 1.00 0.00 H new ATOM 0 HA ASP A 24 12.721 -4.252 -3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.921 -2.069 -2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.855 -2.228 -1.244 1.00 0.00 H new ATOM 408 N TYR A 25 12.073 -4.200 -0.002 1.00 0.00 N ATOM 409 CA TYR A 25 11.961 -5.053 1.174 1.00 0.00 C ATOM 410 C TYR A 25 11.040 -6.236 0.891 1.00 0.00 C ATOM 411 O TYR A 25 11.387 -7.383 1.164 1.00 0.00 O ATOM 412 CB TYR A 25 11.465 -4.242 2.384 1.00 0.00 C ATOM 413 CG TYR A 25 9.981 -4.369 2.662 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.472 -5.477 3.330 1.00 0.00 C ATOM 415 CD2 TYR A 25 9.090 -3.382 2.258 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.120 -5.598 3.584 1.00 0.00 C ATOM 417 CE2 TYR A 25 7.736 -3.497 2.509 1.00 0.00 C ATOM 418 CZ TYR A 25 7.256 -4.606 3.172 1.00 0.00 C ATOM 419 OH TYR A 25 5.908 -4.724 3.425 1.00 0.00 O ATOM 0 H TYR A 25 11.720 -3.251 0.125 1.00 0.00 H new ATOM 0 HA TYR A 25 12.949 -5.445 1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.016 -4.561 3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.702 -3.191 2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.145 -6.256 3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.462 -2.511 1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.741 -6.466 4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.057 -2.721 2.187 1.00 0.00 H new ATOM 0 HH TYR A 25 5.439 -3.940 3.071 1.00 0.00 H new ATOM 429 N LYS A 26 9.870 -5.949 0.329 1.00 0.00 N ATOM 430 CA LYS A 26 8.915 -6.997 0.000 1.00 0.00 C ATOM 431 C LYS A 26 9.437 -7.850 -1.156 1.00 0.00 C ATOM 432 O LYS A 26 8.990 -8.978 -1.360 1.00 0.00 O ATOM 433 CB LYS A 26 7.545 -6.388 -0.338 1.00 0.00 C ATOM 434 CG LYS A 26 7.332 -6.095 -1.816 1.00 0.00 C ATOM 435 CD LYS A 26 6.601 -7.235 -2.510 1.00 0.00 C ATOM 436 CE LYS A 26 5.227 -7.473 -1.901 1.00 0.00 C ATOM 437 NZ LYS A 26 4.134 -7.238 -2.884 1.00 0.00 N ATOM 0 H LYS A 26 9.563 -5.005 0.094 1.00 0.00 H new ATOM 0 HA LYS A 26 8.792 -7.644 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.765 -7.070 0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.425 -5.462 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.760 -5.174 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.296 -5.932 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.495 -7.008 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.195 -8.146 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.167 -8.496 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.091 -6.814 -1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.431 -8.001 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.677 -6.325 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.529 -7.224 -3.846 1.00 0.00 H new ATOM 451 N ALA A 27 10.399 -7.306 -1.900 1.00 0.00 N ATOM 452 CA ALA A 27 10.991 -8.022 -3.019 1.00 0.00 C ATOM 453 C ALA A 27 12.070 -8.982 -2.531 1.00 0.00 C ATOM 454 O ALA A 27 12.368 -9.981 -3.186 1.00 0.00 O ATOM 455 CB ALA A 27 11.570 -7.042 -4.029 1.00 0.00 C ATOM 0 H ALA A 27 10.782 -6.373 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 27 10.209 -8.603 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.009 -7.593 -4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.777 -6.393 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.339 -6.436 -3.549 1.00 0.00 H new ATOM 461 N GLY A 28 12.655 -8.675 -1.373 1.00 0.00 N ATOM 462 CA GLY A 28 13.693 -9.526 -0.821 1.00 0.00 C ATOM 463 C GLY A 28 13.452 -9.874 0.635 1.00 0.00 C ATOM 464 O GLY A 28 14.392 -10.179 1.369 1.00 0.00 O ATOM 0 H GLY A 28 12.428 -7.855 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.753 -10.445 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.656 -9.025 -0.916 1.00 0.00 H new ATOM 468 N LEU A 29 12.191 -9.831 1.059 1.00 0.00 N ATOM 469 CA LEU A 29 11.839 -10.144 2.440 1.00 0.00 C ATOM 470 C LEU A 29 12.284 -11.554 2.820 1.00 0.00 C ATOM 471 O LEU A 29 12.439 -11.871 4.000 1.00 0.00 O ATOM 472 CB LEU A 29 10.331 -9.985 2.659 1.00 0.00 C ATOM 473 CG LEU A 29 9.458 -11.111 2.094 1.00 0.00 C ATOM 474 CD1 LEU A 29 8.249 -11.348 2.986 1.00 0.00 C ATOM 475 CD2 LEU A 29 9.019 -10.784 0.674 1.00 0.00 C ATOM 0 H LEU A 29 11.398 -9.583 0.467 1.00 0.00 H new ATOM 0 HA LEU A 29 12.364 -9.440 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.144 -9.907 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.014 -9.044 2.210 1.00 0.00 H new ATOM 0 HG LEU A 29 10.050 -12.026 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.641 -12.151 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.583 -11.627 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.655 -10.436 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.400 -11.594 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.445 -9.858 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.898 -10.665 0.040 1.00 0.00 H new ATOM 487 N GLU A 30 12.487 -12.393 1.815 1.00 0.00 N ATOM 488 CA GLU A 30 12.913 -13.770 2.039 1.00 0.00 C ATOM 489 C GLU A 30 13.755 -14.278 0.874 1.00 0.00 C ATOM 490 O GLU A 30 13.562 -15.395 0.394 1.00 0.00 O ATOM 491 CB GLU A 30 11.696 -14.675 2.242 1.00 0.00 C ATOM 492 CG GLU A 30 11.981 -15.891 3.108 1.00 0.00 C ATOM 493 CD GLU A 30 11.664 -17.198 2.407 1.00 0.00 C ATOM 494 OE1 GLU A 30 12.405 -17.562 1.470 1.00 0.00 O ATOM 495 OE2 GLU A 30 10.677 -17.856 2.795 1.00 0.00 O ATOM 0 H GLU A 30 12.364 -12.145 0.833 1.00 0.00 H new ATOM 0 HA GLU A 30 13.527 -13.792 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.894 -14.095 2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.335 -15.009 1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.031 -15.886 3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.395 -15.824 4.025 1.00 0.00 H new ATOM 502 N LYS A 31 14.682 -13.440 0.418 1.00 0.00 N ATOM 503 CA LYS A 31 15.560 -13.781 -0.697 1.00 0.00 C ATOM 504 C LYS A 31 14.759 -14.339 -1.863 1.00 0.00 C ATOM 505 O LYS A 31 15.174 -15.286 -2.530 1.00 0.00 O ATOM 506 CB LYS A 31 16.640 -14.779 -0.260 1.00 0.00 C ATOM 507 CG LYS A 31 16.107 -16.160 0.087 1.00 0.00 C ATOM 508 CD LYS A 31 17.233 -17.176 0.200 1.00 0.00 C ATOM 509 CE LYS A 31 16.903 -18.267 1.206 1.00 0.00 C ATOM 510 NZ LYS A 31 15.702 -19.048 0.804 1.00 0.00 N ATOM 0 H LYS A 31 14.845 -12.512 0.808 1.00 0.00 H new ATOM 0 HA LYS A 31 16.055 -12.867 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.375 -14.875 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.163 -14.375 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.560 -16.115 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.400 -16.482 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 31 17.419 -17.624 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.151 -16.671 0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 31 17.756 -18.938 1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 31 16.734 -17.819 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.531 -19.803 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.875 -18.418 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.860 -19.469 -0.134 1.00 0.00 H new ATOM 524 N LYS A 32 13.602 -13.734 -2.095 1.00 0.00 N ATOM 525 CA LYS A 32 12.721 -14.153 -3.179 1.00 0.00 C ATOM 526 C LYS A 32 13.406 -13.990 -4.532 1.00 0.00 C ATOM 527 O LYS A 32 13.738 -14.974 -5.191 1.00 0.00 O ATOM 528 CB LYS A 32 11.421 -13.347 -3.151 1.00 0.00 C ATOM 529 CG LYS A 32 10.428 -13.757 -4.226 1.00 0.00 C ATOM 530 CD LYS A 32 9.370 -12.688 -4.443 1.00 0.00 C ATOM 531 CE LYS A 32 8.568 -12.945 -5.708 1.00 0.00 C ATOM 532 NZ LYS A 32 7.146 -12.526 -5.563 1.00 0.00 N ATOM 0 H LYS A 32 13.250 -12.950 -1.546 1.00 0.00 H new ATOM 0 HA LYS A 32 12.488 -15.208 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.953 -13.462 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.656 -12.289 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.957 -13.942 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.948 -14.693 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.698 -12.660 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.847 -11.710 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.021 -12.406 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.610 -14.006 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.830 -12.061 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.554 -13.362 -5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.059 -11.862 -4.767 1.00 0.00 H new ATOM 546 N LYS A 33 13.616 -12.742 -4.940 1.00 0.00 N ATOM 547 CA LYS A 33 14.264 -12.459 -6.216 1.00 0.00 C ATOM 548 C LYS A 33 14.722 -11.005 -6.293 1.00 0.00 C ATOM 549 O LYS A 33 14.672 -10.272 -5.305 1.00 0.00 O ATOM 550 CB LYS A 33 13.316 -12.773 -7.376 1.00 0.00 C ATOM 551 CG LYS A 33 13.959 -13.597 -8.479 1.00 0.00 C ATOM 552 CD LYS A 33 13.057 -13.693 -9.699 1.00 0.00 C ATOM 553 CE LYS A 33 13.610 -14.671 -10.724 1.00 0.00 C ATOM 554 NZ LYS A 33 13.709 -16.054 -10.178 1.00 0.00 N ATOM 0 H LYS A 33 13.348 -11.914 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 33 15.144 -13.097 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.449 -13.310 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.950 -11.837 -7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.911 -13.148 -8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.178 -14.598 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.060 -14.010 -9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.952 -12.708 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.969 -14.674 -11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.596 -14.338 -11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.774 -16.733 -10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.557 -16.132 -9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.865 -16.264 -9.608 1.00 0.00 H new ATOM 568 N LEU A 34 15.174 -10.599 -7.476 1.00 0.00 N ATOM 569 CA LEU A 34 15.649 -9.237 -7.693 1.00 0.00 C ATOM 570 C LEU A 34 14.916 -8.586 -8.864 1.00 0.00 C ATOM 571 O LEU A 34 13.881 -9.078 -9.311 1.00 0.00 O ATOM 572 CB LEU A 34 17.159 -9.243 -7.952 1.00 0.00 C ATOM 573 CG LEU A 34 18.005 -9.902 -6.858 1.00 0.00 C ATOM 574 CD1 LEU A 34 17.654 -9.328 -5.493 1.00 0.00 C ATOM 575 CD2 LEU A 34 17.813 -11.411 -6.870 1.00 0.00 C ATOM 0 H LEU A 34 15.221 -11.196 -8.301 1.00 0.00 H new ATOM 0 HA LEU A 34 15.444 -8.654 -6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.348 -9.757 -8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.494 -8.213 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 34 19.055 -9.689 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.265 -9.808 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.845 -8.255 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.600 -9.509 -5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.422 -11.861 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.763 -11.646 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.116 -11.809 -7.839 1.00 0.00 H new ATOM 587 N SER A 35 15.462 -7.473 -9.347 1.00 0.00 N ATOM 588 CA SER A 35 14.874 -6.736 -10.459 1.00 0.00 C ATOM 589 C SER A 35 14.697 -7.637 -11.687 1.00 0.00 C ATOM 590 O SER A 35 13.916 -8.585 -11.649 1.00 0.00 O ATOM 591 CB SER A 35 15.744 -5.520 -10.794 1.00 0.00 C ATOM 592 OG SER A 35 15.206 -4.792 -11.883 1.00 0.00 O ATOM 0 H SER A 35 16.319 -7.060 -8.980 1.00 0.00 H new ATOM 0 HA SER A 35 13.884 -6.390 -10.162 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.820 -4.872 -9.921 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.755 -5.848 -11.036 1.00 0.00 H new ATOM 0 HG SER A 35 15.854 -4.119 -12.178 1.00 0.00 H new ATOM 598 N ASP A 36 15.411 -7.338 -12.778 1.00 0.00 N ATOM 599 CA ASP A 36 15.302 -8.126 -14.001 1.00 0.00 C ATOM 600 C ASP A 36 13.900 -7.988 -14.586 1.00 0.00 C ATOM 601 O ASP A 36 13.711 -7.389 -15.645 1.00 0.00 O ATOM 602 CB ASP A 36 15.615 -9.598 -13.725 1.00 0.00 C ATOM 603 CG ASP A 36 16.424 -10.236 -14.838 1.00 0.00 C ATOM 604 OD1 ASP A 36 17.181 -9.508 -15.512 1.00 0.00 O ATOM 605 OD2 ASP A 36 16.298 -11.463 -15.036 1.00 0.00 O ATOM 0 H ASP A 36 16.067 -6.559 -12.835 1.00 0.00 H new ATOM 0 HA ASP A 36 16.028 -7.750 -14.722 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.165 -9.680 -12.787 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.682 -10.147 -13.597 1.00 0.00 H new ATOM 610 N ASP A 37 12.923 -8.535 -13.876 1.00 0.00 N ATOM 611 CA ASP A 37 11.532 -8.469 -14.296 1.00 0.00 C ATOM 612 C ASP A 37 10.628 -8.116 -13.113 1.00 0.00 C ATOM 613 O ASP A 37 9.409 -8.264 -13.192 1.00 0.00 O ATOM 614 CB ASP A 37 11.099 -9.803 -14.906 1.00 0.00 C ATOM 615 CG ASP A 37 11.292 -10.965 -13.950 1.00 0.00 C ATOM 616 OD1 ASP A 37 10.479 -11.104 -13.013 1.00 0.00 O ATOM 617 OD2 ASP A 37 12.256 -11.736 -14.141 1.00 0.00 O ATOM 0 H ASP A 37 13.071 -9.034 -12.999 1.00 0.00 H new ATOM 0 HA ASP A 37 11.438 -7.688 -15.050 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.050 -9.744 -15.195 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.670 -9.986 -15.816 1.00 0.00 H new ATOM 622 N ASP A 38 11.231 -7.651 -12.016 1.00 0.00 N ATOM 623 CA ASP A 38 10.470 -7.286 -10.826 1.00 0.00 C ATOM 624 C ASP A 38 9.565 -6.090 -11.101 1.00 0.00 C ATOM 625 O ASP A 38 9.904 -5.211 -11.893 1.00 0.00 O ATOM 626 CB ASP A 38 11.417 -6.967 -9.669 1.00 0.00 C ATOM 627 CG ASP A 38 10.819 -7.313 -8.320 1.00 0.00 C ATOM 628 OD1 ASP A 38 10.407 -8.479 -8.135 1.00 0.00 O ATOM 629 OD2 ASP A 38 10.761 -6.421 -7.448 1.00 0.00 O ATOM 0 H ASP A 38 12.239 -7.520 -11.930 1.00 0.00 H new ATOM 0 HA ASP A 38 9.844 -8.135 -10.552 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.348 -7.518 -9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.668 -5.907 -9.691 1.00 0.00 H new ATOM 634 N GLU A 39 8.409 -6.066 -10.442 1.00 0.00 N ATOM 635 CA GLU A 39 7.451 -4.979 -10.612 1.00 0.00 C ATOM 636 C GLU A 39 6.414 -4.990 -9.492 1.00 0.00 C ATOM 637 O GLU A 39 6.024 -6.050 -9.004 1.00 0.00 O ATOM 638 CB GLU A 39 6.755 -5.093 -11.970 1.00 0.00 C ATOM 639 CG GLU A 39 7.296 -4.130 -13.015 1.00 0.00 C ATOM 640 CD GLU A 39 7.174 -4.672 -14.426 1.00 0.00 C ATOM 641 OE1 GLU A 39 6.321 -5.556 -14.651 1.00 0.00 O ATOM 642 OE2 GLU A 39 7.932 -4.213 -15.306 1.00 0.00 O ATOM 0 H GLU A 39 8.114 -6.788 -9.785 1.00 0.00 H new ATOM 0 HA GLU A 39 7.996 -4.036 -10.570 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.861 -6.113 -12.339 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.688 -4.911 -11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.758 -3.184 -12.945 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.343 -3.918 -12.801 1.00 0.00 H new ATOM 649 N ILE A 40 5.971 -3.803 -9.090 1.00 0.00 N ATOM 650 CA ILE A 40 4.977 -3.679 -8.027 1.00 0.00 C ATOM 651 C ILE A 40 4.056 -2.488 -8.278 1.00 0.00 C ATOM 652 O ILE A 40 4.496 -1.442 -8.757 1.00 0.00 O ATOM 653 CB ILE A 40 5.650 -3.525 -6.646 1.00 0.00 C ATOM 654 CG1 ILE A 40 4.607 -3.609 -5.528 1.00 0.00 C ATOM 655 CG2 ILE A 40 6.418 -2.215 -6.564 1.00 0.00 C ATOM 656 CD1 ILE A 40 4.498 -4.983 -4.906 1.00 0.00 C ATOM 0 H ILE A 40 6.283 -2.915 -9.482 1.00 0.00 H new ATOM 0 HA ILE A 40 4.386 -4.595 -8.030 1.00 0.00 H new ATOM 0 HB ILE A 40 6.359 -4.343 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.859 -2.887 -4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.634 -3.321 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.884 -2.127 -5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.189 -2.196 -7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.733 -1.381 -6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.741 -4.969 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.215 -5.707 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.459 -5.265 -4.477 1.00 0.00 H new ATOM 668 N ALA A 41 2.776 -2.652 -7.955 1.00 0.00 N ATOM 669 CA ALA A 41 1.799 -1.588 -8.151 1.00 0.00 C ATOM 670 C ALA A 41 1.242 -1.095 -6.820 1.00 0.00 C ATOM 671 O ALA A 41 0.606 -1.848 -6.082 1.00 0.00 O ATOM 672 CB ALA A 41 0.670 -2.067 -9.050 1.00 0.00 C ATOM 0 H ALA A 41 2.393 -3.510 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 41 2.306 -0.752 -8.633 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.052 -1.262 -9.188 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.075 -2.360 -10.018 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.176 -2.923 -8.589 1.00 0.00 H new ATOM 678 N ILE A 42 1.481 0.178 -6.521 1.00 0.00 N ATOM 679 CA ILE A 42 1.002 0.781 -5.283 1.00 0.00 C ATOM 680 C ILE A 42 0.003 1.896 -5.576 1.00 0.00 C ATOM 681 O ILE A 42 0.225 2.722 -6.462 1.00 0.00 O ATOM 682 CB ILE A 42 2.161 1.350 -4.439 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.247 1.940 -5.345 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.739 0.266 -3.540 1.00 0.00 C ATOM 685 CD1 ILE A 42 4.454 2.457 -4.592 1.00 0.00 C ATOM 0 H ILE A 42 2.006 0.814 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 42 0.512 -0.009 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 42 1.773 2.151 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.571 1.177 -6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.818 2.754 -5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.556 0.680 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.962 -0.106 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.114 -0.554 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.179 2.859 -5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.144 3.243 -3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.909 1.641 -4.030 1.00 0.00 H new ATOM 697 N ILE A 43 -1.101 1.909 -4.836 1.00 0.00 N ATOM 698 CA ILE A 43 -2.134 2.919 -5.029 1.00 0.00 C ATOM 699 C ILE A 43 -2.615 3.493 -3.701 1.00 0.00 C ATOM 700 O ILE A 43 -2.919 2.753 -2.765 1.00 0.00 O ATOM 701 CB ILE A 43 -3.344 2.342 -5.792 1.00 0.00 C ATOM 702 CG1 ILE A 43 -2.878 1.599 -7.045 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.320 3.451 -6.158 1.00 0.00 C ATOM 704 CD1 ILE A 43 -3.917 0.655 -7.609 1.00 0.00 C ATOM 0 H ILE A 43 -1.303 1.233 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.682 3.717 -5.617 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.858 1.633 -5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.607 2.327 -7.810 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.976 1.034 -6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.168 3.027 -6.696 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.674 3.939 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.818 4.183 -6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.518 0.163 -8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.171 -0.096 -6.861 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.812 1.217 -7.877 1.00 0.00 H new ATOM 716 N SER A 44 -2.690 4.819 -3.630 1.00 0.00 N ATOM 717 CA SER A 44 -3.145 5.501 -2.424 1.00 0.00 C ATOM 718 C SER A 44 -4.528 6.104 -2.645 1.00 0.00 C ATOM 719 O SER A 44 -4.920 6.367 -3.782 1.00 0.00 O ATOM 720 CB SER A 44 -2.154 6.599 -2.029 1.00 0.00 C ATOM 721 OG SER A 44 -2.199 7.680 -2.944 1.00 0.00 O ATOM 0 H SER A 44 -2.440 5.444 -4.397 1.00 0.00 H new ATOM 0 HA SER A 44 -3.204 4.771 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.385 6.958 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.145 6.188 -1.996 1.00 0.00 H new ATOM 0 HG SER A 44 -1.558 8.369 -2.669 1.00 0.00 H new ATOM 727 N ILE A 45 -5.268 6.321 -1.561 1.00 0.00 N ATOM 728 CA ILE A 45 -6.609 6.891 -1.661 1.00 0.00 C ATOM 729 C ILE A 45 -7.142 7.312 -0.296 1.00 0.00 C ATOM 730 O ILE A 45 -8.116 6.748 0.204 1.00 0.00 O ATOM 731 CB ILE A 45 -7.607 5.906 -2.312 1.00 0.00 C ATOM 732 CG1 ILE A 45 -7.267 4.457 -1.948 1.00 0.00 C ATOM 733 CG2 ILE A 45 -7.622 6.087 -3.822 1.00 0.00 C ATOM 734 CD1 ILE A 45 -7.677 4.073 -0.544 1.00 0.00 C ATOM 0 H ILE A 45 -4.965 6.113 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.519 7.772 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.602 6.126 -1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.757 3.789 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.193 4.306 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.329 5.386 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.922 7.107 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.625 5.898 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.405 3.034 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.167 4.716 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.755 4.191 -0.435 1.00 0.00 H new ATOM 746 N LYS A 46 -6.500 8.314 0.299 1.00 0.00 N ATOM 747 CA LYS A 46 -6.906 8.827 1.605 1.00 0.00 C ATOM 748 C LYS A 46 -7.182 7.689 2.586 1.00 0.00 C ATOM 749 O LYS A 46 -8.010 7.817 3.486 1.00 0.00 O ATOM 750 CB LYS A 46 -8.146 9.716 1.461 1.00 0.00 C ATOM 751 CG LYS A 46 -8.518 10.482 2.725 1.00 0.00 C ATOM 752 CD LYS A 46 -7.354 11.308 3.254 1.00 0.00 C ATOM 753 CE LYS A 46 -7.575 12.795 3.029 1.00 0.00 C ATOM 754 NZ LYS A 46 -8.873 13.258 3.595 1.00 0.00 N ATOM 0 H LYS A 46 -5.693 8.789 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.085 9.422 2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.976 10.429 0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.991 9.095 1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.363 11.138 2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.842 9.779 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.225 11.116 4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.433 10.998 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.760 13.356 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.549 13.008 1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.766 14.224 3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.599 13.251 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.162 12.622 4.366 1.00 0.00 H new ATOM 768 N GLY A 47 -6.477 6.576 2.410 1.00 0.00 N ATOM 769 CA GLY A 47 -6.657 5.441 3.294 1.00 0.00 C ATOM 770 C GLY A 47 -6.109 5.712 4.680 1.00 0.00 C ATOM 771 O GLY A 47 -5.137 5.087 5.105 1.00 0.00 O ATOM 0 H GLY A 47 -5.786 6.441 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.718 5.200 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.159 4.569 2.871 1.00 0.00 H new ATOM 775 N THR A 48 -6.728 6.657 5.382 1.00 0.00 N ATOM 776 CA THR A 48 -6.295 7.029 6.725 1.00 0.00 C ATOM 777 C THR A 48 -4.997 7.827 6.667 1.00 0.00 C ATOM 778 O THR A 48 -4.960 8.996 7.048 1.00 0.00 O ATOM 779 CB THR A 48 -6.109 5.786 7.599 1.00 0.00 C ATOM 780 OG1 THR A 48 -6.908 4.715 7.126 1.00 0.00 O ATOM 781 CG2 THR A 48 -6.466 6.019 9.050 1.00 0.00 C ATOM 0 H THR A 48 -7.534 7.181 5.041 1.00 0.00 H new ATOM 0 HA THR A 48 -7.071 7.653 7.170 1.00 0.00 H new ATOM 0 HB THR A 48 -5.048 5.544 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.774 3.930 7.697 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.312 5.099 9.615 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.832 6.806 9.459 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.511 6.319 9.124 1.00 0.00 H new ATOM 789 N GLN A 49 -3.936 7.187 6.183 1.00 0.00 N ATOM 790 CA GLN A 49 -2.635 7.838 6.069 1.00 0.00 C ATOM 791 C GLN A 49 -1.601 6.884 5.475 1.00 0.00 C ATOM 792 O GLN A 49 -0.531 6.680 6.050 1.00 0.00 O ATOM 793 CB GLN A 49 -2.163 8.332 7.439 1.00 0.00 C ATOM 794 CG GLN A 49 -0.820 9.046 7.401 1.00 0.00 C ATOM 795 CD GLN A 49 0.200 8.426 8.335 1.00 0.00 C ATOM 796 OE1 GLN A 49 1.134 7.755 7.896 1.00 0.00 O ATOM 797 NE2 GLN A 49 0.025 8.646 9.633 1.00 0.00 N ATOM 0 H GLN A 49 -3.952 6.218 5.864 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.742 8.693 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.913 9.008 7.850 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.094 7.482 8.118 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.432 9.027 6.382 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.962 10.093 7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.763 9.208 9.953 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.679 8.253 10.310 1.00 0.00 H new ATOM 806 N SER A 50 -1.923 6.300 4.322 1.00 0.00 N ATOM 807 CA SER A 50 -1.014 5.368 3.663 1.00 0.00 C ATOM 808 C SER A 50 -1.636 4.796 2.393 1.00 0.00 C ATOM 809 O SER A 50 -2.634 5.312 1.890 1.00 0.00 O ATOM 810 CB SER A 50 -0.634 4.231 4.618 1.00 0.00 C ATOM 811 OG SER A 50 0.773 4.098 4.720 1.00 0.00 O ATOM 0 H SER A 50 -2.802 6.455 3.828 1.00 0.00 H new ATOM 0 HA SER A 50 -0.115 5.917 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.056 4.424 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.066 3.295 4.264 1.00 0.00 H new ATOM 0 HG SER A 50 0.989 3.367 5.336 1.00 0.00 H new ATOM 817 N ASN A 51 -1.037 3.725 1.880 1.00 0.00 N ATOM 818 CA ASN A 51 -1.526 3.078 0.669 1.00 0.00 C ATOM 819 C ASN A 51 -1.227 1.582 0.696 1.00 0.00 C ATOM 820 O ASN A 51 -0.424 1.115 1.504 1.00 0.00 O ATOM 821 CB ASN A 51 -0.885 3.714 -0.565 1.00 0.00 C ATOM 822 CG ASN A 51 0.627 3.763 -0.467 1.00 0.00 C ATOM 823 OD1 ASN A 51 1.298 2.732 -0.517 1.00 0.00 O ATOM 824 ND2 ASN A 51 1.173 4.965 -0.322 1.00 0.00 N ATOM 0 H ASN A 51 -0.210 3.287 2.286 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.606 3.215 0.622 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.171 3.149 -1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.272 4.725 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.186 5.059 -0.247 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.579 5.794 -0.285 1.00 0.00 H new ATOM 831 N HIS A 52 -1.876 0.836 -0.192 1.00 0.00 N ATOM 832 CA HIS A 52 -1.677 -0.606 -0.269 1.00 0.00 C ATOM 833 C HIS A 52 -0.719 -0.960 -1.402 1.00 0.00 C ATOM 834 O HIS A 52 -0.743 -0.338 -2.464 1.00 0.00 O ATOM 835 CB HIS A 52 -3.015 -1.319 -0.476 1.00 0.00 C ATOM 836 CG HIS A 52 -3.859 -0.708 -1.550 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.863 0.203 -1.293 1.00 0.00 N ATOM 838 CD2 HIS A 52 -3.847 -0.884 -2.893 1.00 0.00 C ATOM 839 CE1 HIS A 52 -5.431 0.560 -2.432 1.00 0.00 C ATOM 840 NE2 HIS A 52 -4.833 -0.083 -3.415 1.00 0.00 N ATOM 0 H HIS A 52 -2.544 1.206 -0.868 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.240 -0.938 0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.826 -2.363 -0.724 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.571 -1.309 0.461 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.186 -1.532 -3.449 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.247 1.260 -2.539 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -5.065 0.001 -4.405 1.00 0.00 H new ATOM 849 N VAL A 53 0.122 -1.962 -1.169 1.00 0.00 N ATOM 850 CA VAL A 53 1.087 -2.395 -2.173 1.00 0.00 C ATOM 851 C VAL A 53 0.648 -3.699 -2.834 1.00 0.00 C ATOM 852 O VAL A 53 0.483 -4.721 -2.168 1.00 0.00 O ATOM 853 CB VAL A 53 2.491 -2.582 -1.562 1.00 0.00 C ATOM 854 CG1 VAL A 53 2.479 -3.676 -0.505 1.00 0.00 C ATOM 855 CG2 VAL A 53 3.510 -2.891 -2.650 1.00 0.00 C ATOM 0 H VAL A 53 0.155 -2.488 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 53 1.132 -1.609 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 53 2.781 -1.649 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.480 -3.790 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.783 -3.406 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.165 -4.616 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.495 -3.020 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.224 -3.807 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.542 -2.067 -3.363 1.00 0.00 H new ATOM 865 N LEU A 54 0.464 -3.654 -4.149 1.00 0.00 N ATOM 866 CA LEU A 54 0.048 -4.830 -4.904 1.00 0.00 C ATOM 867 C LEU A 54 1.200 -5.368 -5.747 1.00 0.00 C ATOM 868 O LEU A 54 1.882 -4.612 -6.438 1.00 0.00 O ATOM 869 CB LEU A 54 -1.146 -4.488 -5.799 1.00 0.00 C ATOM 870 CG LEU A 54 -2.365 -5.396 -5.627 1.00 0.00 C ATOM 871 CD1 LEU A 54 -2.030 -6.821 -6.037 1.00 0.00 C ATOM 872 CD2 LEU A 54 -2.860 -5.355 -4.188 1.00 0.00 C ATOM 0 H LEU A 54 0.596 -2.815 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.250 -5.604 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.447 -3.460 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.824 -4.530 -6.840 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.162 -5.031 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.909 -7.453 -5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.723 -6.836 -7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.218 -7.197 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.728 -6.006 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.068 -5.695 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.139 -4.334 -3.928 1.00 0.00 H new ATOM 884 N PHE A 55 1.412 -6.679 -5.682 1.00 0.00 N ATOM 885 CA PHE A 55 2.485 -7.316 -6.437 1.00 0.00 C ATOM 886 C PHE A 55 2.051 -7.609 -7.869 1.00 0.00 C ATOM 887 O PHE A 55 0.879 -7.883 -8.130 1.00 0.00 O ATOM 888 CB PHE A 55 2.920 -8.613 -5.752 1.00 0.00 C ATOM 889 CG PHE A 55 4.106 -9.265 -6.403 1.00 0.00 C ATOM 890 CD1 PHE A 55 5.316 -8.596 -6.497 1.00 0.00 C ATOM 891 CD2 PHE A 55 4.011 -10.546 -6.923 1.00 0.00 C ATOM 892 CE1 PHE A 55 6.409 -9.193 -7.097 1.00 0.00 C ATOM 893 CE2 PHE A 55 5.101 -11.148 -7.524 1.00 0.00 C ATOM 894 CZ PHE A 55 6.300 -10.470 -7.611 1.00 0.00 C ATOM 0 H PHE A 55 0.856 -7.320 -5.115 1.00 0.00 H new ATOM 0 HA PHE A 55 3.328 -6.625 -6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.158 -8.402 -4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.085 -9.313 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.406 -7.597 -6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.075 -11.080 -6.858 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.347 -8.661 -7.164 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.014 -12.147 -7.925 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.152 -10.938 -8.081 1.00 0.00 H new ATOM 904 N LEU A 56 3.006 -7.553 -8.793 1.00 0.00 N ATOM 905 CA LEU A 56 2.726 -7.817 -10.199 1.00 0.00 C ATOM 906 C LEU A 56 3.374 -9.125 -10.643 1.00 0.00 C ATOM 907 O LEU A 56 4.536 -9.146 -11.049 1.00 0.00 O ATOM 908 CB LEU A 56 3.233 -6.661 -11.065 1.00 0.00 C ATOM 909 CG LEU A 56 2.201 -5.572 -11.358 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.103 -6.108 -12.263 1.00 0.00 C ATOM 911 CD2 LEU A 56 1.613 -5.033 -10.062 1.00 0.00 C ATOM 0 H LEU A 56 3.980 -7.327 -8.592 1.00 0.00 H new ATOM 0 HA LEU A 56 1.647 -7.907 -10.322 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.090 -6.205 -10.570 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.591 -7.066 -12.012 1.00 0.00 H new ATOM 0 HG LEU A 56 2.701 -4.753 -11.875 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.377 -5.319 -12.461 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.539 -6.445 -13.204 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.605 -6.945 -11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.880 -4.259 -10.289 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.128 -5.843 -9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.409 -4.610 -9.449 1.00 0.00 H new ATOM 923 N SER A 57 2.615 -10.213 -10.563 1.00 0.00 N ATOM 924 CA SER A 57 3.115 -11.528 -10.955 1.00 0.00 C ATOM 925 C SER A 57 3.669 -11.502 -12.377 1.00 0.00 C ATOM 926 O SER A 57 4.875 -11.623 -12.585 1.00 0.00 O ATOM 927 CB SER A 57 2.003 -12.572 -10.848 1.00 0.00 C ATOM 928 OG SER A 57 0.971 -12.132 -9.982 1.00 0.00 O ATOM 0 H SER A 57 1.651 -10.211 -10.230 1.00 0.00 H new ATOM 0 HA SER A 57 3.924 -11.797 -10.276 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.591 -12.772 -11.837 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.416 -13.511 -10.479 1.00 0.00 H new ATOM 0 HG SER A 57 0.272 -12.817 -9.932 1.00 0.00 H new ATOM 934 N SER A 58 2.778 -11.343 -13.350 1.00 0.00 N ATOM 935 CA SER A 58 3.176 -11.303 -14.752 1.00 0.00 C ATOM 936 C SER A 58 1.968 -11.051 -15.650 1.00 0.00 C ATOM 937 O SER A 58 1.624 -11.880 -16.494 1.00 0.00 O ATOM 938 CB SER A 58 3.859 -12.614 -15.147 1.00 0.00 C ATOM 939 OG SER A 58 3.183 -13.730 -14.594 1.00 0.00 O ATOM 0 H SER A 58 1.775 -11.240 -13.193 1.00 0.00 H new ATOM 0 HA SER A 58 3.881 -10.482 -14.883 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.883 -12.702 -16.233 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.894 -12.606 -14.805 1.00 0.00 H new ATOM 0 HG SER A 58 3.639 -14.555 -14.863 1.00 0.00 H new ATOM 945 N TYR A 59 1.328 -9.902 -15.463 1.00 0.00 N ATOM 946 CA TYR A 59 0.157 -9.541 -16.253 1.00 0.00 C ATOM 947 C TYR A 59 0.387 -8.232 -17.002 1.00 0.00 C ATOM 948 O TYR A 59 0.846 -7.246 -16.425 1.00 0.00 O ATOM 949 CB TYR A 59 -1.074 -9.416 -15.352 1.00 0.00 C ATOM 950 CG TYR A 59 -1.931 -10.662 -15.321 1.00 0.00 C ATOM 951 CD1 TYR A 59 -1.359 -11.920 -15.176 1.00 0.00 C ATOM 952 CD2 TYR A 59 -3.313 -10.579 -15.435 1.00 0.00 C ATOM 953 CE1 TYR A 59 -2.140 -13.059 -15.146 1.00 0.00 C ATOM 954 CE2 TYR A 59 -4.100 -11.713 -15.405 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.509 -12.950 -15.260 1.00 0.00 C ATOM 956 OH TYR A 59 -4.291 -14.082 -15.229 1.00 0.00 O ATOM 0 H TYR A 59 1.601 -9.204 -14.771 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.014 -10.332 -16.984 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.749 -9.183 -14.338 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.680 -8.577 -15.693 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.286 -12.009 -15.085 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.779 -9.612 -15.549 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.680 -14.030 -15.034 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.173 -11.631 -15.495 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.234 -13.831 -15.321 1.00 0.00 H new ATOM 966 N ASN A 60 0.062 -8.230 -18.291 1.00 0.00 N ATOM 967 CA ASN A 60 0.227 -7.041 -19.121 1.00 0.00 C ATOM 968 C ASN A 60 -0.970 -6.858 -20.048 1.00 0.00 C ATOM 969 O ASN A 60 -0.851 -6.274 -21.126 1.00 0.00 O ATOM 970 CB ASN A 60 1.514 -7.141 -19.942 1.00 0.00 C ATOM 971 CG ASN A 60 2.701 -6.519 -19.234 1.00 0.00 C ATOM 972 OD1 ASN A 60 2.557 -5.553 -18.486 1.00 0.00 O ATOM 973 ND2 ASN A 60 3.886 -7.071 -19.469 1.00 0.00 N ATOM 0 H ASN A 60 -0.317 -9.038 -18.784 1.00 0.00 H new ATOM 0 HA ASN A 60 0.292 -6.174 -18.464 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.728 -8.189 -20.151 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.368 -6.647 -20.903 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.722 -6.694 -19.022 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.960 -7.872 -20.097 1.00 0.00 H new ATOM 980 N SER A 61 -2.125 -7.361 -19.621 1.00 0.00 N ATOM 981 CA SER A 61 -3.346 -7.255 -20.410 1.00 0.00 C ATOM 982 C SER A 61 -4.570 -7.563 -19.550 1.00 0.00 C ATOM 983 O SER A 61 -4.502 -7.492 -18.325 1.00 0.00 O ATOM 984 CB SER A 61 -3.285 -8.207 -21.608 1.00 0.00 C ATOM 985 OG SER A 61 -2.007 -8.180 -22.219 1.00 0.00 O ATOM 0 H SER A 61 -2.240 -7.847 -18.731 1.00 0.00 H new ATOM 0 HA SER A 61 -3.433 -6.233 -20.778 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.514 -9.222 -21.282 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.046 -7.928 -22.337 1.00 0.00 H new ATOM 0 HG SER A 61 -1.686 -7.255 -22.265 1.00 0.00 H new ATOM 991 N VAL A 62 -5.684 -7.901 -20.205 1.00 0.00 N ATOM 992 CA VAL A 62 -6.936 -8.225 -19.519 1.00 0.00 C ATOM 993 C VAL A 62 -7.372 -7.110 -18.569 1.00 0.00 C ATOM 994 O VAL A 62 -6.550 -6.488 -17.898 1.00 0.00 O ATOM 995 CB VAL A 62 -6.850 -9.570 -18.755 1.00 0.00 C ATOM 996 CG1 VAL A 62 -5.964 -9.464 -17.521 1.00 0.00 C ATOM 997 CG2 VAL A 62 -8.242 -10.056 -18.378 1.00 0.00 C ATOM 0 H VAL A 62 -5.743 -7.957 -21.222 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.691 -8.325 -20.299 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.391 -10.300 -19.422 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.930 -10.428 -17.014 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.956 -9.176 -17.820 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.371 -8.712 -16.845 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.164 -11.002 -17.842 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.725 -9.316 -17.740 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.835 -10.199 -19.282 1.00 0.00 H new ATOM 1007 N ASP A 63 -8.676 -6.860 -18.523 1.00 0.00 N ATOM 1008 CA ASP A 63 -9.227 -5.821 -17.660 1.00 0.00 C ATOM 1009 C ASP A 63 -9.697 -6.406 -16.332 1.00 0.00 C ATOM 1010 O ASP A 63 -9.716 -5.716 -15.312 1.00 0.00 O ATOM 1011 CB ASP A 63 -10.389 -5.112 -18.360 1.00 0.00 C ATOM 1012 CG ASP A 63 -9.964 -3.809 -19.008 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -9.270 -3.862 -20.045 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -10.325 -2.737 -18.479 1.00 0.00 O ATOM 0 H ASP A 63 -9.372 -7.363 -19.074 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.438 -5.097 -17.456 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.810 -5.772 -19.119 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.179 -4.914 -17.636 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.073 -7.682 -16.349 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.542 -8.359 -15.145 1.00 0.00 C ATOM 1021 C GLU A 64 -9.552 -8.185 -13.996 1.00 0.00 C ATOM 1022 O GLU A 64 -9.931 -8.225 -12.826 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.756 -9.848 -15.427 1.00 0.00 C ATOM 1024 CG GLU A 64 -11.968 -10.433 -14.720 1.00 0.00 C ATOM 1025 CD GLU A 64 -11.627 -11.011 -13.361 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -10.579 -10.628 -12.800 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -12.407 -11.847 -12.859 1.00 0.00 O ATOM 0 H GLU A 64 -10.062 -8.268 -17.184 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.490 -7.908 -14.852 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.867 -9.993 -16.502 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.866 -10.399 -15.121 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.724 -9.657 -14.601 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.406 -11.213 -15.343 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.282 -7.991 -14.340 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.239 -7.810 -13.338 1.00 0.00 C ATOM 1036 C ILE A 65 -7.130 -6.345 -12.920 1.00 0.00 C ATOM 1037 O ILE A 65 -6.982 -6.036 -11.737 1.00 0.00 O ATOM 1038 CB ILE A 65 -5.871 -8.306 -13.860 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -4.913 -8.569 -12.689 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.270 -7.315 -14.852 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -4.164 -7.343 -12.208 1.00 0.00 C ATOM 0 H ILE A 65 -7.952 -7.955 -15.304 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.518 -8.405 -12.468 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.027 -9.246 -14.389 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.481 -8.983 -11.856 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.190 -9.327 -12.990 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.308 -7.689 -15.203 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.944 -7.195 -15.700 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.128 -6.351 -14.363 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.510 -7.618 -11.380 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.565 -6.939 -13.024 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.877 -6.589 -11.873 1.00 0.00 H new ATOM 1053 N ARG A 66 -7.203 -5.449 -13.899 1.00 0.00 N ATOM 1054 CA ARG A 66 -7.112 -4.017 -13.636 1.00 0.00 C ATOM 1055 C ARG A 66 -8.364 -3.513 -12.924 1.00 0.00 C ATOM 1056 O ARG A 66 -8.276 -2.812 -11.916 1.00 0.00 O ATOM 1057 CB ARG A 66 -6.910 -3.251 -14.944 1.00 0.00 C ATOM 1058 CG ARG A 66 -6.480 -1.805 -14.745 1.00 0.00 C ATOM 1059 CD ARG A 66 -7.002 -0.908 -15.857 1.00 0.00 C ATOM 1060 NE ARG A 66 -5.952 -0.059 -16.413 1.00 0.00 N ATOM 1061 CZ ARG A 66 -6.187 0.988 -17.201 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -7.430 1.318 -17.526 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -5.174 1.708 -17.664 1.00 0.00 N ATOM 0 H ARG A 66 -7.325 -5.690 -14.883 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.254 -3.845 -12.986 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.159 -3.765 -15.544 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.839 -3.270 -15.513 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.847 -1.445 -13.784 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.392 -1.749 -14.712 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.428 -1.523 -16.649 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.807 -0.283 -15.471 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.983 -0.281 -16.185 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.213 0.768 -17.172 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.603 2.121 -18.130 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.216 1.459 -17.416 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.353 2.510 -18.268 1.00 0.00 H new ATOM 1077 N LYS A 67 -9.527 -3.873 -13.458 1.00 0.00 N ATOM 1078 CA LYS A 67 -10.799 -3.457 -12.875 1.00 0.00 C ATOM 1079 C LYS A 67 -10.901 -3.888 -11.415 1.00 0.00 C ATOM 1080 O LYS A 67 -11.545 -3.221 -10.605 1.00 0.00 O ATOM 1081 CB LYS A 67 -11.965 -4.043 -13.674 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.281 -3.317 -13.450 1.00 0.00 C ATOM 1083 CD LYS A 67 -14.406 -3.933 -14.265 1.00 0.00 C ATOM 1084 CE LYS A 67 -15.010 -5.137 -13.560 1.00 0.00 C ATOM 1085 NZ LYS A 67 -15.385 -6.213 -14.519 1.00 0.00 N ATOM 0 H LYS A 67 -9.615 -4.452 -14.293 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.848 -2.369 -12.916 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.719 -4.013 -14.735 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.088 -5.092 -13.405 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.539 -3.348 -12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.168 -2.267 -13.720 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.181 -3.186 -14.440 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.027 -4.234 -15.241 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.296 -5.529 -12.836 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.892 -4.825 -13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.793 -7.016 -13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.085 -5.847 -15.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.539 -6.529 -15.034 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.262 -5.005 -11.086 1.00 0.00 N ATOM 1100 CA GLU A 68 -10.282 -5.522 -9.722 1.00 0.00 C ATOM 1101 C GLU A 68 -9.357 -4.712 -8.819 1.00 0.00 C ATOM 1102 O GLU A 68 -9.601 -4.585 -7.620 1.00 0.00 O ATOM 1103 CB GLU A 68 -9.869 -6.995 -9.708 1.00 0.00 C ATOM 1104 CG GLU A 68 -10.053 -7.665 -8.355 1.00 0.00 C ATOM 1105 CD GLU A 68 -10.719 -9.023 -8.461 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -10.194 -9.885 -9.198 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -11.764 -9.225 -7.809 1.00 0.00 O ATOM 0 H GLU A 68 -9.724 -5.569 -11.744 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.299 -5.433 -9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.453 -7.535 -10.454 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.823 -7.073 -10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.081 -7.778 -7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.653 -7.020 -7.713 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.295 -4.166 -9.403 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.334 -3.367 -8.649 1.00 0.00 C ATOM 1116 C LEU A 69 -7.881 -1.967 -8.379 1.00 0.00 C ATOM 1117 O LEU A 69 -7.865 -1.493 -7.244 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.007 -3.276 -9.410 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.763 -3.627 -8.591 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.812 -5.079 -8.140 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.502 -3.360 -9.399 1.00 0.00 C ATOM 0 H LEU A 69 -8.078 -4.262 -10.395 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.161 -3.858 -7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.054 -3.941 -10.273 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.896 -2.262 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.744 -2.994 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.919 -5.310 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.697 -5.239 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.855 -5.730 -9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.626 -3.615 -8.802 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.514 -3.968 -10.304 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.461 -2.305 -9.671 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.364 -1.311 -9.430 1.00 0.00 N ATOM 1134 CA GLU A 70 -8.915 0.034 -9.306 1.00 0.00 C ATOM 1135 C GLU A 70 -10.082 0.061 -8.326 1.00 0.00 C ATOM 1136 O GLU A 70 -10.317 1.063 -7.650 1.00 0.00 O ATOM 1137 CB GLU A 70 -9.371 0.551 -10.672 1.00 0.00 C ATOM 1138 CG GLU A 70 -10.241 -0.435 -11.436 1.00 0.00 C ATOM 1139 CD GLU A 70 -11.463 0.219 -12.053 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -11.953 1.218 -11.485 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -11.930 -0.268 -13.104 1.00 0.00 O ATOM 0 H GLU A 70 -8.385 -1.689 -10.377 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.128 0.684 -8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.924 1.480 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.493 0.790 -11.273 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.648 -0.903 -12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.561 -1.230 -10.762 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.812 -1.047 -8.252 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.956 -1.151 -7.354 1.00 0.00 C ATOM 1150 C GLU A 71 -11.502 -1.447 -5.928 1.00 0.00 C ATOM 1151 O GLU A 71 -12.174 -1.077 -4.963 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.912 -2.243 -7.838 1.00 0.00 C ATOM 1153 CG GLU A 71 -14.091 -1.707 -8.633 1.00 0.00 C ATOM 1154 CD GLU A 71 -13.663 -0.962 -9.882 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -13.429 -1.623 -10.915 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -13.562 0.282 -9.826 1.00 0.00 O ATOM 0 H GLU A 71 -10.631 -1.886 -8.803 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.479 -0.195 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.359 -2.951 -8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.286 -2.796 -6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.742 -2.535 -8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.678 -1.041 -8.001 1.00 0.00 H new ATOM 1163 N ALA A 72 -10.361 -2.115 -5.800 1.00 0.00 N ATOM 1164 CA ALA A 72 -9.818 -2.459 -4.492 1.00 0.00 C ATOM 1165 C ALA A 72 -9.436 -1.207 -3.711 1.00 0.00 C ATOM 1166 O ALA A 72 -9.498 -1.188 -2.482 1.00 0.00 O ATOM 1167 CB ALA A 72 -8.613 -3.375 -4.647 1.00 0.00 C ATOM 0 H ALA A 72 -9.794 -2.429 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.591 -2.984 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.217 -3.625 -3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.914 -4.289 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.844 -2.869 -5.230 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.039 -0.163 -4.431 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.651 1.079 -3.788 1.00 0.00 C ATOM 1175 C GLY A 73 -9.835 1.979 -3.498 1.00 0.00 C ATOM 1176 O GLY A 73 -9.872 2.653 -2.469 1.00 0.00 O ATOM 0 H GLY A 73 -8.979 -0.155 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.133 0.855 -2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.944 1.609 -4.426 1.00 0.00 H new ATOM 1180 N ALA A 74 -10.804 1.990 -4.407 1.00 0.00 N ATOM 1181 CA ALA A 74 -11.995 2.814 -4.244 1.00 0.00 C ATOM 1182 C ALA A 74 -13.138 2.014 -3.641 1.00 0.00 C ATOM 1183 O ALA A 74 -13.591 2.288 -2.529 1.00 0.00 O ATOM 1184 CB ALA A 74 -12.412 3.409 -5.580 1.00 0.00 C ATOM 0 H ALA A 74 -10.788 1.437 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.753 3.625 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.303 4.022 -5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.603 4.026 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.629 2.606 -6.284 1.00 0.00 H new ATOM 1190 N LYS A 75 -13.592 1.027 -4.389 1.00 0.00 N ATOM 1191 CA LYS A 75 -14.686 0.165 -3.952 1.00 0.00 C ATOM 1192 C LYS A 75 -14.346 -0.519 -2.630 1.00 0.00 C ATOM 1193 O LYS A 75 -13.421 -0.109 -1.928 1.00 0.00 O ATOM 1194 CB LYS A 75 -14.995 -0.884 -5.024 1.00 0.00 C ATOM 1195 CG LYS A 75 -16.481 -1.149 -5.206 1.00 0.00 C ATOM 1196 CD LYS A 75 -16.835 -1.376 -6.667 1.00 0.00 C ATOM 1197 CE LYS A 75 -18.225 -1.973 -6.817 1.00 0.00 C ATOM 1198 NZ LYS A 75 -18.287 -2.970 -7.921 1.00 0.00 N ATOM 0 H LYS A 75 -13.220 0.797 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.568 0.786 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.574 -0.555 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.498 -1.818 -4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.770 -2.023 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.052 -0.304 -4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.784 -0.430 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.101 -2.042 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.518 -2.449 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.943 -1.176 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.252 -3.353 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.032 -2.510 -8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.620 -3.744 -7.727 1.00 0.00 H new ATOM 1212 N ILE A 76 -15.099 -1.563 -2.293 1.00 0.00 N ATOM 1213 CA ILE A 76 -14.878 -2.302 -1.053 1.00 0.00 C ATOM 1214 C ILE A 76 -13.411 -2.694 -0.896 1.00 0.00 C ATOM 1215 O ILE A 76 -12.679 -2.809 -1.879 1.00 0.00 O ATOM 1216 CB ILE A 76 -15.748 -3.574 -0.992 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -17.217 -3.234 -1.265 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -15.603 -4.252 0.363 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -17.756 -2.123 -0.391 1.00 0.00 C ATOM 0 H ILE A 76 -15.868 -1.917 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.162 -1.637 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.405 -4.263 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -17.326 -2.947 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -17.822 -4.128 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.223 -5.148 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -14.560 -4.527 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -15.921 -3.567 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -18.801 -1.938 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.680 -2.415 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -17.176 -1.215 -0.558 1.00 0.00 H new ATOM 1231 N ASN A 77 -12.987 -2.894 0.348 1.00 0.00 N ATOM 1232 CA ASN A 77 -11.608 -3.271 0.637 1.00 0.00 C ATOM 1233 C ASN A 77 -11.425 -4.784 0.547 1.00 0.00 C ATOM 1234 O ASN A 77 -12.316 -5.500 0.090 1.00 0.00 O ATOM 1235 CB ASN A 77 -11.205 -2.775 2.029 1.00 0.00 C ATOM 1236 CG ASN A 77 -12.021 -3.416 3.133 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -12.781 -4.356 2.895 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -11.871 -2.910 4.352 1.00 0.00 N ATOM 0 H ASN A 77 -13.580 -2.801 1.173 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.965 -2.804 -0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.148 -2.985 2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.326 -1.693 2.074 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.396 -3.301 5.134 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.231 -2.131 4.506 1.00 0.00 H new ATOM 1245 N HIS A 78 -10.264 -5.264 0.985 1.00 0.00 N ATOM 1246 CA HIS A 78 -9.962 -6.693 0.955 1.00 0.00 C ATOM 1247 C HIS A 78 -11.064 -7.508 1.630 1.00 0.00 C ATOM 1248 O HIS A 78 -11.255 -8.684 1.322 1.00 0.00 O ATOM 1249 CB HIS A 78 -8.621 -6.965 1.641 1.00 0.00 C ATOM 1250 CG HIS A 78 -7.470 -6.245 1.011 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -7.078 -4.976 1.387 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -6.620 -6.622 0.027 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -6.038 -4.605 0.661 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -5.740 -5.587 -0.171 1.00 0.00 N ATOM 0 H HIS A 78 -9.516 -4.684 1.365 1.00 0.00 H new ATOM 0 HA HIS A 78 -9.902 -6.999 -0.089 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -8.692 -6.673 2.689 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.423 -8.037 1.622 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -6.632 -7.563 -0.504 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -5.520 -3.660 0.735 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.979 -5.578 -0.850 1.00 0.00 H new ATOM 1263 N THR A 79 -11.787 -6.874 2.549 1.00 0.00 N ATOM 1264 CA THR A 79 -12.869 -7.541 3.265 1.00 0.00 C ATOM 1265 C THR A 79 -12.340 -8.705 4.096 1.00 0.00 C ATOM 1266 O THR A 79 -12.264 -9.837 3.619 1.00 0.00 O ATOM 1267 CB THR A 79 -13.927 -8.043 2.280 1.00 0.00 C ATOM 1268 OG1 THR A 79 -13.924 -7.262 1.099 1.00 0.00 O ATOM 1269 CG2 THR A 79 -15.330 -8.015 2.846 1.00 0.00 C ATOM 0 H THR A 79 -11.643 -5.900 2.815 1.00 0.00 H new ATOM 0 HA THR A 79 -13.323 -6.815 3.940 1.00 0.00 H new ATOM 0 HB THR A 79 -13.658 -9.078 2.068 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.377 -6.461 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 79 -16.032 -8.383 2.098 1.00 0.00 H new ATOM 0 HG22 THR A 79 -15.378 -8.649 3.731 1.00 0.00 H new ATOM 0 HG23 THR A 79 -15.592 -6.992 3.117 1.00 0.00 H new ATOM 1277 N THR A 80 -11.975 -8.416 5.344 1.00 0.00 N ATOM 1278 CA THR A 80 -11.451 -9.431 6.257 1.00 0.00 C ATOM 1279 C THR A 80 -10.435 -10.338 5.562 1.00 0.00 C ATOM 1280 O THR A 80 -10.583 -11.560 5.552 1.00 0.00 O ATOM 1281 CB THR A 80 -12.594 -10.268 6.838 1.00 0.00 C ATOM 1282 OG1 THR A 80 -12.091 -11.276 7.696 1.00 0.00 O ATOM 1283 CG2 THR A 80 -13.440 -10.947 5.783 1.00 0.00 C ATOM 0 H THR A 80 -12.033 -7.481 5.748 1.00 0.00 H new ATOM 0 HA THR A 80 -10.940 -8.914 7.069 1.00 0.00 H new ATOM 0 HB THR A 80 -13.220 -9.560 7.381 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.503 -11.874 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.230 -11.522 6.265 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.885 -10.194 5.133 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.815 -11.615 5.190 1.00 0.00 H new ATOM 1291 N LEU A 81 -9.403 -9.726 4.984 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.351 -10.467 4.284 1.00 0.00 C ATOM 1293 C LEU A 81 -8.940 -11.560 3.392 1.00 0.00 C ATOM 1294 O LEU A 81 -8.375 -12.647 3.268 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.351 -11.077 5.283 1.00 0.00 C ATOM 1296 CG LEU A 81 -7.730 -10.970 6.765 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -8.529 -12.188 7.204 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -6.482 -10.813 7.622 1.00 0.00 C ATOM 0 H LEU A 81 -9.271 -8.715 4.986 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.820 -9.759 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.220 -12.131 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.385 -10.594 5.140 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.354 -10.086 6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.788 -12.093 8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.441 -12.258 6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.931 -13.088 7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.768 -10.738 8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.834 -11.678 7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.949 -9.909 7.326 1.00 0.00 H new ATOM 1310 N LYS A 82 -10.079 -11.265 2.774 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.741 -12.224 1.897 1.00 0.00 C ATOM 1312 C LYS A 82 -10.065 -12.275 0.531 1.00 0.00 C ATOM 1313 O LYS A 82 -9.709 -13.350 0.046 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.220 -11.868 1.736 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.996 -12.853 0.874 1.00 0.00 C ATOM 1316 CD LYS A 82 -12.997 -14.248 1.480 1.00 0.00 C ATOM 1317 CE LYS A 82 -14.396 -14.676 1.897 1.00 0.00 C ATOM 1318 NZ LYS A 82 -14.435 -16.101 2.332 1.00 0.00 N ATOM 0 H LYS A 82 -10.562 -10.371 2.864 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.661 -13.209 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.682 -11.819 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.300 -10.873 1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.023 -12.505 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.557 -12.889 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.598 -14.960 0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.336 -14.270 2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.743 -14.039 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.083 -14.532 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.405 -16.353 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.128 -16.712 1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.799 -16.234 3.144 1.00 0.00 H new ATOM 1332 N ILE A 83 -9.886 -11.110 -0.087 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.247 -11.035 -1.398 1.00 0.00 C ATOM 1334 C ILE A 83 -7.886 -11.721 -1.379 1.00 0.00 C ATOM 1335 O ILE A 83 -7.507 -12.395 -2.336 1.00 0.00 O ATOM 1336 CB ILE A 83 -9.080 -9.573 -1.865 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -10.438 -8.866 -1.883 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -8.428 -9.523 -3.242 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -10.389 -7.466 -2.458 1.00 0.00 C ATOM 0 H ILE A 83 -10.173 -10.209 0.297 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.900 -11.551 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.429 -9.054 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -11.141 -9.463 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.826 -8.818 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -8.318 -8.485 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -7.446 -9.994 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -9.053 -10.054 -3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -11.387 -7.029 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.712 -6.852 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.032 -7.508 -3.487 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.161 -11.554 -0.278 1.00 0.00 N ATOM 1352 CA LEU A 84 -5.851 -12.171 -0.136 1.00 0.00 C ATOM 1353 C LEU A 84 -5.985 -13.687 -0.098 1.00 0.00 C ATOM 1354 O LEU A 84 -5.196 -14.405 -0.713 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.154 -11.670 1.130 1.00 0.00 C ATOM 1356 CG LEU A 84 -5.062 -10.147 1.261 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -5.070 -9.737 2.726 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.813 -9.626 0.568 1.00 0.00 C ATOM 0 H LEU A 84 -7.458 -10.999 0.525 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.243 -11.893 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.684 -12.062 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.146 -12.083 1.159 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.933 -9.707 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.004 -8.652 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.994 -10.077 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.218 -10.188 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.765 -8.542 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.930 -10.074 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.847 -9.888 -0.489 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.999 -14.167 0.612 1.00 0.00 N ATOM 1371 CA GLU A 85 -7.245 -15.598 0.707 1.00 0.00 C ATOM 1372 C GLU A 85 -7.798 -16.135 -0.611 1.00 0.00 C ATOM 1373 O GLU A 85 -7.845 -17.346 -0.828 1.00 0.00 O ATOM 1374 CB GLU A 85 -8.223 -15.898 1.846 1.00 0.00 C ATOM 1375 CG GLU A 85 -8.088 -17.302 2.411 1.00 0.00 C ATOM 1376 CD GLU A 85 -6.710 -17.568 2.984 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -6.028 -16.592 3.364 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -6.314 -18.749 3.053 1.00 0.00 O ATOM 0 H GLU A 85 -7.661 -13.588 1.128 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.298 -16.094 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.066 -15.176 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.242 -15.757 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.836 -17.450 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.297 -18.028 1.625 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.219 -15.224 -1.489 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.763 -15.624 -2.770 1.00 0.00 C ATOM 1387 C GLY A 86 -7.713 -15.684 -3.865 1.00 0.00 C ATOM 1388 O GLY A 86 -7.824 -16.490 -4.789 1.00 0.00 O ATOM 0 H GLY A 86 -8.191 -14.217 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.233 -16.603 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.545 -14.923 -3.062 1.00 0.00 H new ATOM 1392 N HIS A 87 -6.693 -14.832 -3.770 1.00 0.00 N ATOM 1393 CA HIS A 87 -5.636 -14.812 -4.777 1.00 0.00 C ATOM 1394 C HIS A 87 -4.519 -13.840 -4.400 1.00 0.00 C ATOM 1395 O HIS A 87 -4.309 -12.829 -5.069 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.216 -14.433 -6.141 1.00 0.00 C ATOM 1397 CG HIS A 87 -7.065 -13.200 -6.108 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -6.541 -11.926 -6.043 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -8.412 -13.050 -6.129 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -7.527 -11.046 -6.025 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -8.671 -11.702 -6.077 1.00 0.00 N ATOM 0 H HIS A 87 -6.577 -14.155 -3.016 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.208 -15.813 -4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.398 -14.282 -6.845 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.812 -15.265 -6.517 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -5.547 -11.698 -6.013 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -9.145 -13.842 -6.178 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.416 -9.973 -5.976 1.00 0.00 H new ATOM 1410 N LEU A 88 -3.798 -14.157 -3.329 1.00 0.00 N ATOM 1411 CA LEU A 88 -2.697 -13.315 -2.872 1.00 0.00 C ATOM 1412 C LEU A 88 -1.890 -14.015 -1.782 1.00 0.00 C ATOM 1413 O LEU A 88 -1.285 -13.307 -0.949 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.227 -11.975 -2.358 1.00 0.00 C ATOM 1415 CG LEU A 88 -2.428 -10.750 -2.807 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -0.962 -10.902 -2.435 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -2.580 -10.538 -4.306 1.00 0.00 C ATOM 1418 OXT LEU A 88 -1.868 -15.263 -1.771 1.00 0.00 O ATOM 0 H LEU A 88 -3.956 -14.990 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.038 -13.131 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.259 -11.858 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.242 -12.001 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.822 -9.874 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.410 -10.021 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.870 -11.007 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.553 -11.788 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.006 -9.663 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.212 -11.416 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.632 -10.383 -4.547 1.00 0.00 H new