USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 542 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 21 ASN : amide:sc= 1.01 K(o=3,f=1.4) USER MOD Set 1.2: A 22 GLN : amide:sc= 2.01 K(o=3,f=1.4) USER MOD Single : A 2 SER OG : rot 9:sc= 0.835 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 0:sc= 1.21 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 51:sc= 0.104 USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.545 F(o=-1.3,f=-0.55) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.00243 USER MOD Single : A 44 SER OG : rot 39:sc= 0.026 USER MOD Single : A 45 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0.899) USER MOD Single : A 56 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.47) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.62 X(o=-1.6,f=-2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 1.19 (180deg=0.986) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.38 X(o=0.38,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 2 -13.090 4.404 1.033 1.00 0.00 N ATOM 24 CA SER A 2 -13.311 3.934 2.394 1.00 0.00 C ATOM 25 C SER A 2 -12.402 2.746 2.747 1.00 0.00 C ATOM 26 O SER A 2 -11.910 2.052 1.856 1.00 0.00 O ATOM 27 CB SER A 2 -14.792 3.546 2.567 1.00 0.00 C ATOM 28 OG SER A 2 -15.523 3.741 1.366 1.00 0.00 O ATOM 0 HA SER A 2 -13.059 4.745 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.863 2.502 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.235 4.142 3.365 1.00 0.00 H new ATOM 0 HG SER A 2 -14.903 3.952 0.637 1.00 0.00 H new ATOM 34 N PRO A 3 -12.246 2.453 4.048 1.00 0.00 N ATOM 35 CA PRO A 3 -11.710 1.198 4.550 1.00 0.00 C ATOM 36 C PRO A 3 -12.125 -0.019 3.714 1.00 0.00 C ATOM 37 O PRO A 3 -11.248 -0.728 3.224 1.00 0.00 O ATOM 38 CB PRO A 3 -12.171 1.121 6.006 1.00 0.00 C ATOM 39 CG PRO A 3 -12.164 2.589 6.427 1.00 0.00 C ATOM 40 CD PRO A 3 -12.597 3.325 5.156 1.00 0.00 C ATOM 0 HA PRO A 3 -10.623 1.176 4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.162 0.677 6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.496 0.520 6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.852 2.774 7.252 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.176 2.907 6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.668 3.528 5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.091 4.287 5.071 1.00 0.00 H new ATOM 48 N GLU A 4 -13.428 -0.249 3.508 1.00 0.00 N ATOM 49 CA GLU A 4 -13.961 -1.310 2.681 1.00 0.00 C ATOM 50 C GLU A 4 -13.470 -1.313 1.224 1.00 0.00 C ATOM 51 O GLU A 4 -13.516 -2.363 0.581 1.00 0.00 O ATOM 52 CB GLU A 4 -15.486 -1.188 2.737 1.00 0.00 C ATOM 53 CG GLU A 4 -16.100 -1.731 4.036 1.00 0.00 C ATOM 54 CD GLU A 4 -16.348 -0.667 5.078 1.00 0.00 C ATOM 55 OE1 GLU A 4 -15.420 0.127 5.357 1.00 0.00 O ATOM 56 OE2 GLU A 4 -17.472 -0.662 5.638 1.00 0.00 O ATOM 0 H GLU A 4 -14.156 0.325 3.933 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.600 -2.259 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.762 -0.140 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.916 -1.723 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.043 -2.226 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.436 -2.488 4.453 1.00 0.00 H new ATOM 63 N GLU A 5 -13.041 -0.182 0.661 1.00 0.00 N ATOM 64 CA GLU A 5 -12.353 -0.187 -0.623 1.00 0.00 C ATOM 65 C GLU A 5 -10.937 -0.699 -0.389 1.00 0.00 C ATOM 66 O GLU A 5 -10.498 -1.683 -0.985 1.00 0.00 O ATOM 67 CB GLU A 5 -12.314 1.219 -1.239 1.00 0.00 C ATOM 68 CG GLU A 5 -13.713 1.787 -1.477 1.00 0.00 C ATOM 69 CD GLU A 5 -14.407 1.082 -2.626 1.00 0.00 C ATOM 70 OE1 GLU A 5 -14.001 1.322 -3.790 1.00 0.00 O ATOM 71 OE2 GLU A 5 -15.361 0.310 -2.359 1.00 0.00 O ATOM 0 H GLU A 5 -13.159 0.743 1.075 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.886 -0.831 -1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.760 1.887 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.773 1.184 -2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.309 1.682 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.643 2.853 -1.691 1.00 0.00 H new ATOM 78 N LEU A 6 -10.224 -0.008 0.496 1.00 0.00 N ATOM 79 CA LEU A 6 -8.781 -0.149 0.642 1.00 0.00 C ATOM 80 C LEU A 6 -8.404 -1.573 1.071 1.00 0.00 C ATOM 81 O LEU A 6 -7.384 -2.109 0.644 1.00 0.00 O ATOM 82 CB LEU A 6 -8.257 0.945 1.579 1.00 0.00 C ATOM 83 CG LEU A 6 -8.372 2.341 0.939 1.00 0.00 C ATOM 84 CD1 LEU A 6 -8.343 3.419 2.024 1.00 0.00 C ATOM 85 CD2 LEU A 6 -7.245 2.609 -0.065 1.00 0.00 C ATOM 0 H LEU A 6 -10.636 0.671 1.136 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.291 -0.006 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.818 0.925 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.215 0.743 1.829 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.320 2.372 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.425 4.403 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.178 3.269 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.405 3.354 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.367 3.605 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.283 2.547 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.283 1.866 -0.862 1.00 0.00 H new ATOM 97 N LYS A 7 -9.269 -2.213 1.854 1.00 0.00 N ATOM 98 CA LYS A 7 -9.200 -3.617 2.220 1.00 0.00 C ATOM 99 C LYS A 7 -9.185 -4.526 0.984 1.00 0.00 C ATOM 100 O LYS A 7 -8.407 -5.482 0.918 1.00 0.00 O ATOM 101 CB LYS A 7 -10.411 -3.883 3.129 1.00 0.00 C ATOM 102 CG LYS A 7 -10.419 -5.217 3.885 1.00 0.00 C ATOM 103 CD LYS A 7 -9.374 -5.287 5.012 1.00 0.00 C ATOM 104 CE LYS A 7 -9.551 -6.579 5.824 1.00 0.00 C ATOM 105 NZ LYS A 7 -8.950 -6.520 7.176 1.00 0.00 N ATOM 0 H LYS A 7 -10.073 -1.741 2.268 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.272 -3.843 2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.473 -3.076 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.313 -3.831 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.410 -5.380 4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.236 -6.027 3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.370 -5.250 4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.476 -4.421 5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.615 -6.795 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.105 -7.407 5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.107 -7.424 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.928 -6.344 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.392 -5.751 7.719 1.00 0.00 H new ATOM 119 N GLY A 8 -10.047 -4.233 0.008 1.00 0.00 N ATOM 120 CA GLY A 8 -10.154 -4.984 -1.234 1.00 0.00 C ATOM 121 C GLY A 8 -9.006 -4.643 -2.180 1.00 0.00 C ATOM 122 O GLY A 8 -8.556 -5.488 -2.957 1.00 0.00 O ATOM 0 H GLY A 8 -10.700 -3.452 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.147 -6.053 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.106 -4.762 -1.717 1.00 0.00 H new ATOM 126 N ILE A 9 -8.536 -3.394 -2.149 1.00 0.00 N ATOM 127 CA ILE A 9 -7.357 -2.991 -2.898 1.00 0.00 C ATOM 128 C ILE A 9 -6.141 -3.776 -2.388 1.00 0.00 C ATOM 129 O ILE A 9 -5.546 -4.534 -3.156 1.00 0.00 O ATOM 130 CB ILE A 9 -7.161 -1.464 -2.825 1.00 0.00 C ATOM 131 CG1 ILE A 9 -8.325 -0.672 -3.452 1.00 0.00 C ATOM 132 CG2 ILE A 9 -5.833 -1.035 -3.458 1.00 0.00 C ATOM 133 CD1 ILE A 9 -8.437 -0.789 -4.976 1.00 0.00 C ATOM 0 H ILE A 9 -8.962 -2.643 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.485 -3.229 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.142 -1.223 -1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.259 -1.013 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.212 0.380 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.730 0.048 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.007 -1.513 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.816 -1.334 -4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.284 -0.198 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.522 -0.419 -5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.585 -1.833 -5.251 1.00 0.00 H new ATOM 145 N PHE A 10 -5.770 -3.610 -1.108 1.00 0.00 N ATOM 146 CA PHE A 10 -4.550 -4.207 -0.567 1.00 0.00 C ATOM 147 C PHE A 10 -4.488 -5.687 -0.922 1.00 0.00 C ATOM 148 O PHE A 10 -3.481 -6.139 -1.451 1.00 0.00 O ATOM 149 CB PHE A 10 -4.438 -4.012 0.954 1.00 0.00 C ATOM 150 CG PHE A 10 -3.310 -4.813 1.599 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.535 -6.171 1.898 1.00 0.00 C ATOM 152 CD2 PHE A 10 -1.995 -4.305 1.685 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.456 -7.063 1.957 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.931 -5.177 1.975 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.148 -6.565 2.011 1.00 0.00 C ATOM 0 H PHE A 10 -6.303 -3.064 -0.431 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.702 -3.694 -1.021 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.285 -2.953 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.383 -4.296 1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.539 -6.525 2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.808 -3.253 1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.632 -8.129 1.961 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.054 -4.780 2.170 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.311 -7.244 2.080 1.00 0.00 H new ATOM 165 N GLU A 11 -5.557 -6.442 -0.642 1.00 0.00 N ATOM 166 CA GLU A 11 -5.524 -7.892 -0.794 1.00 0.00 C ATOM 167 C GLU A 11 -5.180 -8.280 -2.232 1.00 0.00 C ATOM 168 O GLU A 11 -4.290 -9.094 -2.471 1.00 0.00 O ATOM 169 CB GLU A 11 -6.869 -8.481 -0.351 1.00 0.00 C ATOM 170 CG GLU A 11 -6.725 -9.891 0.232 1.00 0.00 C ATOM 171 CD GLU A 11 -6.694 -10.997 -0.807 1.00 0.00 C ATOM 172 OE1 GLU A 11 -7.786 -11.320 -1.319 1.00 0.00 O ATOM 173 OE2 GLU A 11 -5.589 -11.524 -1.087 1.00 0.00 O ATOM 0 H GLU A 11 -6.448 -6.071 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.741 -8.306 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.321 -7.827 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.548 -8.511 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.809 -9.936 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.553 -10.075 0.916 1.00 0.00 H new ATOM 180 N LYS A 12 -5.891 -7.689 -3.195 1.00 0.00 N ATOM 181 CA LYS A 12 -5.685 -7.990 -4.598 1.00 0.00 C ATOM 182 C LYS A 12 -4.222 -7.756 -4.976 1.00 0.00 C ATOM 183 O LYS A 12 -3.587 -8.650 -5.542 1.00 0.00 O ATOM 184 CB LYS A 12 -6.652 -7.167 -5.458 1.00 0.00 C ATOM 185 CG LYS A 12 -6.642 -7.635 -6.920 1.00 0.00 C ATOM 186 CD LYS A 12 -7.761 -6.985 -7.747 1.00 0.00 C ATOM 187 CE LYS A 12 -7.684 -5.454 -7.709 1.00 0.00 C ATOM 188 NZ LYS A 12 -8.548 -4.830 -8.724 1.00 0.00 N ATOM 0 H LYS A 12 -6.618 -6.995 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.901 -9.042 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.661 -7.251 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.377 -6.113 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.677 -7.398 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.751 -8.719 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.694 -7.326 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.729 -7.309 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.975 -5.101 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.653 -5.139 -7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.465 -3.795 -8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.255 -5.145 -9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.536 -5.108 -8.557 1.00 0.00 H new ATOM 202 N TYR A 13 -3.693 -6.562 -4.676 1.00 0.00 N ATOM 203 CA TYR A 13 -2.341 -6.192 -5.055 1.00 0.00 C ATOM 204 C TYR A 13 -1.277 -6.946 -4.263 1.00 0.00 C ATOM 205 O TYR A 13 -0.248 -7.295 -4.833 1.00 0.00 O ATOM 206 CB TYR A 13 -2.176 -4.679 -4.997 1.00 0.00 C ATOM 207 CG TYR A 13 -2.844 -3.974 -6.167 1.00 0.00 C ATOM 208 CD1 TYR A 13 -4.189 -3.577 -6.090 1.00 0.00 C ATOM 209 CD2 TYR A 13 -2.071 -3.577 -7.271 1.00 0.00 C ATOM 210 CE1 TYR A 13 -4.753 -2.777 -7.095 1.00 0.00 C ATOM 211 CE2 TYR A 13 -2.655 -2.840 -8.312 1.00 0.00 C ATOM 212 CZ TYR A 13 -3.991 -2.419 -8.216 1.00 0.00 C ATOM 213 OH TYR A 13 -4.542 -1.655 -9.199 1.00 0.00 O ATOM 0 H TYR A 13 -4.195 -5.835 -4.166 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.183 -6.501 -6.088 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.598 -4.306 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.114 -4.433 -4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.793 -3.890 -5.251 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.025 -3.840 -7.318 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.774 -2.437 -7.005 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.075 -2.596 -9.190 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.471 -1.445 -8.968 1.00 0.00 H new ATOM 223 N ALA A 14 -1.502 -7.259 -2.986 1.00 0.00 N ATOM 224 CA ALA A 14 -0.561 -8.067 -2.220 1.00 0.00 C ATOM 225 C ALA A 14 -0.267 -9.401 -2.903 1.00 0.00 C ATOM 226 O ALA A 14 0.817 -9.961 -2.734 1.00 0.00 O ATOM 227 CB ALA A 14 -1.134 -8.295 -0.831 1.00 0.00 C ATOM 0 H ALA A 14 -2.327 -6.964 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 14 0.386 -7.532 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.440 -8.899 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.285 -7.335 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.088 -8.815 -0.912 1.00 0.00 H new ATOM 233 N ALA A 15 -1.237 -9.911 -3.663 1.00 0.00 N ATOM 234 CA ALA A 15 -1.105 -11.139 -4.416 1.00 0.00 C ATOM 235 C ALA A 15 -0.618 -10.934 -5.854 1.00 0.00 C ATOM 236 O ALA A 15 -0.814 -11.831 -6.673 1.00 0.00 O ATOM 237 CB ALA A 15 -2.438 -11.886 -4.354 1.00 0.00 C ATOM 0 H ALA A 15 -2.149 -9.467 -3.768 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.320 -11.740 -3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.360 -12.816 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.682 -12.109 -3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.223 -11.266 -4.786 1.00 0.00 H new ATOM 243 N LYS A 16 0.006 -9.801 -6.206 1.00 0.00 N ATOM 244 CA LYS A 16 0.495 -9.648 -7.571 1.00 0.00 C ATOM 245 C LYS A 16 1.596 -10.660 -7.897 1.00 0.00 C ATOM 246 O LYS A 16 1.473 -11.373 -8.894 1.00 0.00 O ATOM 247 CB LYS A 16 0.955 -8.220 -7.874 1.00 0.00 C ATOM 248 CG LYS A 16 0.266 -7.701 -9.149 1.00 0.00 C ATOM 249 CD LYS A 16 -1.100 -7.058 -8.865 1.00 0.00 C ATOM 250 CE LYS A 16 -2.219 -7.928 -8.274 1.00 0.00 C ATOM 251 NZ LYS A 16 -2.826 -8.888 -9.216 1.00 0.00 N ATOM 0 H LYS A 16 0.177 -9.008 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.354 -9.855 -8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.720 -7.568 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.037 -8.198 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.913 -6.970 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.136 -8.527 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.936 -6.223 -8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.468 -6.638 -9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.819 -8.480 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.002 -7.275 -7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.569 -9.429 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.242 -8.372 -10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.095 -9.540 -9.566 1.00 0.00 H new ATOM 265 N GLU A 17 2.694 -10.672 -7.125 1.00 0.00 N ATOM 266 CA GLU A 17 3.841 -11.526 -7.464 1.00 0.00 C ATOM 267 C GLU A 17 3.744 -12.938 -6.855 1.00 0.00 C ATOM 268 O GLU A 17 2.658 -13.520 -6.782 1.00 0.00 O ATOM 269 CB GLU A 17 5.183 -10.776 -7.316 1.00 0.00 C ATOM 270 CG GLU A 17 5.487 -10.119 -5.965 1.00 0.00 C ATOM 271 CD GLU A 17 5.562 -11.087 -4.797 1.00 0.00 C ATOM 272 OE1 GLU A 17 6.688 -11.586 -4.546 1.00 0.00 O ATOM 273 OE2 GLU A 17 4.506 -11.330 -4.169 1.00 0.00 O ATOM 0 H GLU A 17 2.811 -10.113 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 17 3.803 -11.748 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.986 -11.480 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.220 -10.001 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.434 -9.585 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.718 -9.375 -5.756 1.00 0.00 H new ATOM 280 N GLY A 18 4.871 -13.555 -6.493 1.00 0.00 N ATOM 281 CA GLY A 18 4.915 -14.909 -5.969 1.00 0.00 C ATOM 282 C GLY A 18 4.083 -15.053 -4.700 1.00 0.00 C ATOM 283 O GLY A 18 3.309 -16.000 -4.566 1.00 0.00 O ATOM 0 H GLY A 18 5.789 -13.116 -6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.548 -15.603 -6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.949 -15.184 -5.759 1.00 0.00 H new ATOM 287 N ASP A 19 4.226 -14.119 -3.760 1.00 0.00 N ATOM 288 CA ASP A 19 3.544 -14.220 -2.483 1.00 0.00 C ATOM 289 C ASP A 19 2.106 -13.689 -2.608 1.00 0.00 C ATOM 290 O ASP A 19 1.922 -12.611 -3.188 1.00 0.00 O ATOM 291 CB ASP A 19 4.336 -13.445 -1.424 1.00 0.00 C ATOM 292 CG ASP A 19 3.396 -12.710 -0.493 1.00 0.00 C ATOM 293 OD1 ASP A 19 2.888 -13.314 0.469 1.00 0.00 O ATOM 294 OD2 ASP A 19 3.036 -11.575 -0.861 1.00 0.00 O ATOM 0 H ASP A 19 4.808 -13.288 -3.864 1.00 0.00 H new ATOM 0 HA ASP A 19 3.485 -15.264 -2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.960 -14.132 -0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.006 -12.735 -1.909 1.00 0.00 H new ATOM 299 N PRO A 20 1.124 -14.380 -1.998 1.00 0.00 N ATOM 300 CA PRO A 20 -0.278 -13.994 -1.995 1.00 0.00 C ATOM 301 C PRO A 20 -0.625 -12.911 -0.956 1.00 0.00 C ATOM 302 O PRO A 20 -1.718 -12.342 -1.034 1.00 0.00 O ATOM 303 CB PRO A 20 -1.027 -15.293 -1.682 1.00 0.00 C ATOM 304 CG PRO A 20 -0.075 -16.017 -0.733 1.00 0.00 C ATOM 305 CD PRO A 20 1.292 -15.660 -1.315 1.00 0.00 C ATOM 0 HA PRO A 20 -0.550 -13.547 -2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.993 -15.100 -1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.219 -15.875 -2.583 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.183 -15.671 0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.247 -17.093 -0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 20 2.042 -15.585 -0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.633 -16.429 -2.008 1.00 0.00 H new ATOM 313 N ASN A 21 0.223 -12.668 0.055 1.00 0.00 N ATOM 314 CA ASN A 21 -0.202 -12.052 1.304 1.00 0.00 C ATOM 315 C ASN A 21 0.464 -10.702 1.606 1.00 0.00 C ATOM 316 O ASN A 21 -0.171 -9.843 2.218 1.00 0.00 O ATOM 317 CB ASN A 21 0.044 -13.056 2.429 1.00 0.00 C ATOM 318 CG ASN A 21 -0.319 -12.444 3.770 1.00 0.00 C ATOM 319 OD1 ASN A 21 -1.499 -12.300 4.095 1.00 0.00 O ATOM 320 ND2 ASN A 21 0.691 -12.077 4.550 1.00 0.00 N ATOM 0 H ASN A 21 1.217 -12.895 0.022 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.261 -11.812 1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.549 -13.955 2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.091 -13.360 2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.505 -11.656 5.460 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.652 -12.216 4.239 1.00 0.00 H new ATOM 327 N GLN A 22 1.727 -10.506 1.227 1.00 0.00 N ATOM 328 CA GLN A 22 2.477 -9.289 1.496 1.00 0.00 C ATOM 329 C GLN A 22 2.576 -8.393 0.260 1.00 0.00 C ATOM 330 O GLN A 22 2.543 -8.859 -0.880 1.00 0.00 O ATOM 331 CB GLN A 22 3.903 -9.623 1.953 1.00 0.00 C ATOM 332 CG GLN A 22 4.071 -10.276 3.329 1.00 0.00 C ATOM 333 CD GLN A 22 4.220 -11.782 3.203 1.00 0.00 C ATOM 334 OE1 GLN A 22 3.366 -12.551 3.644 1.00 0.00 O ATOM 335 NE2 GLN A 22 5.323 -12.226 2.609 1.00 0.00 N ATOM 0 H GLN A 22 2.264 -11.206 0.714 1.00 0.00 H new ATOM 0 HA GLN A 22 1.937 -8.760 2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.348 -10.285 1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.483 -8.700 1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.947 -9.861 3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.208 -10.043 3.953 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.013 -11.564 2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.480 -13.229 2.509 1.00 0.00 H new ATOM 344 N LEU A 23 2.761 -7.097 0.505 1.00 0.00 N ATOM 345 CA LEU A 23 3.180 -6.117 -0.478 1.00 0.00 C ATOM 346 C LEU A 23 4.703 -5.982 -0.469 1.00 0.00 C ATOM 347 O LEU A 23 5.261 -5.339 0.420 1.00 0.00 O ATOM 348 CB LEU A 23 2.549 -4.768 -0.128 1.00 0.00 C ATOM 349 CG LEU A 23 1.174 -4.545 -0.770 1.00 0.00 C ATOM 350 CD1 LEU A 23 0.635 -3.180 -0.320 1.00 0.00 C ATOM 351 CD2 LEU A 23 1.195 -4.541 -2.307 1.00 0.00 C ATOM 0 H LEU A 23 2.616 -6.692 1.430 1.00 0.00 H new ATOM 0 HA LEU A 23 2.860 -6.437 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.451 -4.693 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.221 -3.970 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 23 0.550 -5.379 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.343 -3.009 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.543 -3.165 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.322 -2.395 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.185 -4.378 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.848 -3.743 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.567 -5.500 -2.668 1.00 0.00 H new ATOM 363 N SER A 24 5.382 -6.528 -1.476 1.00 0.00 N ATOM 364 CA SER A 24 6.798 -6.237 -1.685 1.00 0.00 C ATOM 365 C SER A 24 7.022 -4.768 -2.071 1.00 0.00 C ATOM 366 O SER A 24 6.120 -4.111 -2.590 1.00 0.00 O ATOM 367 CB SER A 24 7.455 -7.212 -2.680 1.00 0.00 C ATOM 368 OG SER A 24 6.620 -8.282 -3.098 1.00 0.00 O ATOM 0 H SER A 24 4.977 -7.171 -2.156 1.00 0.00 H new ATOM 0 HA SER A 24 7.300 -6.395 -0.731 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.774 -6.653 -3.559 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.353 -7.627 -2.223 1.00 0.00 H new ATOM 0 HG SER A 24 5.762 -7.925 -3.408 1.00 0.00 H new ATOM 374 N LYS A 25 8.239 -4.260 -1.865 1.00 0.00 N ATOM 375 CA LYS A 25 8.639 -2.907 -2.241 1.00 0.00 C ATOM 376 C LYS A 25 8.363 -2.692 -3.729 1.00 0.00 C ATOM 377 O LYS A 25 7.653 -1.761 -4.108 1.00 0.00 O ATOM 378 CB LYS A 25 10.097 -2.698 -1.784 1.00 0.00 C ATOM 379 CG LYS A 25 10.691 -1.314 -2.101 1.00 0.00 C ATOM 380 CD LYS A 25 12.143 -1.122 -1.598 1.00 0.00 C ATOM 381 CE LYS A 25 12.279 -0.645 -0.136 1.00 0.00 C ATOM 382 NZ LYS A 25 13.670 -0.251 0.210 1.00 0.00 N ATOM 0 H LYS A 25 8.989 -4.792 -1.422 1.00 0.00 H new ATOM 0 HA LYS A 25 8.055 -2.133 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.150 -2.861 -0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.721 -3.459 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.667 -1.158 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.058 -0.547 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.675 -2.068 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.642 -0.401 -2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.614 0.202 0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.954 -1.441 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.709 0.045 1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.307 -1.060 0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.968 0.539 -0.397 1.00 0.00 H new ATOM 396 N GLU A 26 8.823 -3.614 -4.570 1.00 0.00 N ATOM 397 CA GLU A 26 8.523 -3.611 -5.985 1.00 0.00 C ATOM 398 C GLU A 26 7.081 -3.993 -6.358 1.00 0.00 C ATOM 399 O GLU A 26 6.741 -3.947 -7.542 1.00 0.00 O ATOM 400 CB GLU A 26 9.504 -4.591 -6.607 1.00 0.00 C ATOM 401 CG GLU A 26 10.924 -4.019 -6.631 1.00 0.00 C ATOM 402 CD GLU A 26 11.795 -4.902 -7.489 1.00 0.00 C ATOM 403 OE1 GLU A 26 11.581 -4.847 -8.729 1.00 0.00 O ATOM 404 OE2 GLU A 26 12.632 -5.635 -6.915 1.00 0.00 O ATOM 0 H GLU A 26 9.419 -4.388 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 26 8.620 -2.591 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.495 -5.524 -6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.189 -4.829 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.914 -3.003 -7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.325 -3.964 -5.619 1.00 0.00 H new ATOM 411 N GLU A 27 6.244 -4.378 -5.395 1.00 0.00 N ATOM 412 CA GLU A 27 4.840 -4.696 -5.613 1.00 0.00 C ATOM 413 C GLU A 27 4.012 -3.439 -5.330 1.00 0.00 C ATOM 414 O GLU A 27 3.087 -3.113 -6.069 1.00 0.00 O ATOM 415 CB GLU A 27 4.493 -5.887 -4.710 1.00 0.00 C ATOM 416 CG GLU A 27 3.283 -6.753 -5.096 1.00 0.00 C ATOM 417 CD GLU A 27 3.257 -8.033 -4.260 1.00 0.00 C ATOM 418 OE1 GLU A 27 3.979 -8.103 -3.238 1.00 0.00 O ATOM 419 OE2 GLU A 27 2.591 -9.031 -4.621 1.00 0.00 O ATOM 0 H GLU A 27 6.533 -4.479 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 27 4.620 -4.988 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.367 -6.536 -4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.324 -5.505 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.362 -6.191 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.330 -7.004 -6.156 1.00 0.00 H new ATOM 426 N LEU A 28 4.391 -2.672 -4.301 1.00 0.00 N ATOM 427 CA LEU A 28 3.789 -1.377 -4.012 1.00 0.00 C ATOM 428 C LEU A 28 3.799 -0.466 -5.250 1.00 0.00 C ATOM 429 O LEU A 28 2.805 0.194 -5.539 1.00 0.00 O ATOM 430 CB LEU A 28 4.552 -0.748 -2.835 1.00 0.00 C ATOM 431 CG LEU A 28 3.950 0.575 -2.332 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.503 0.430 -1.850 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.797 1.133 -1.183 1.00 0.00 C ATOM 0 H LEU A 28 5.127 -2.938 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 28 2.742 -1.506 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.577 -1.460 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.585 -0.573 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 28 3.951 1.257 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.135 1.397 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.880 0.074 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.463 -0.285 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.363 2.070 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.818 0.414 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.813 1.312 -1.534 1.00 0.00 H new ATOM 445 N LYS A 29 4.910 -0.460 -5.998 1.00 0.00 N ATOM 446 CA LYS A 29 5.102 0.296 -7.234 1.00 0.00 C ATOM 447 C LYS A 29 3.838 0.298 -8.105 1.00 0.00 C ATOM 448 O LYS A 29 3.220 1.343 -8.320 1.00 0.00 O ATOM 449 CB LYS A 29 6.310 -0.317 -7.968 1.00 0.00 C ATOM 450 CG LYS A 29 6.510 0.136 -9.422 1.00 0.00 C ATOM 451 CD LYS A 29 6.653 1.654 -9.596 1.00 0.00 C ATOM 452 CE LYS A 29 7.840 2.295 -8.870 1.00 0.00 C ATOM 453 NZ LYS A 29 9.139 1.745 -9.310 1.00 0.00 N ATOM 0 H LYS A 29 5.733 -1.007 -5.744 1.00 0.00 H new ATOM 0 HA LYS A 29 5.298 1.344 -7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.212 -0.078 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.206 -1.402 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.400 -0.349 -9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.664 -0.208 -10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.740 1.873 -10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.737 2.130 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.828 3.371 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.730 2.143 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.908 2.212 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.164 0.722 -9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.260 1.913 -10.329 1.00 0.00 H new ATOM 467 N LEU A 30 3.475 -0.876 -8.623 1.00 0.00 N ATOM 468 CA LEU A 30 2.330 -1.019 -9.517 1.00 0.00 C ATOM 469 C LEU A 30 1.047 -0.478 -8.883 1.00 0.00 C ATOM 470 O LEU A 30 0.310 0.297 -9.494 1.00 0.00 O ATOM 471 CB LEU A 30 2.150 -2.451 -10.058 1.00 0.00 C ATOM 472 CG LEU A 30 2.654 -3.671 -9.258 1.00 0.00 C ATOM 473 CD1 LEU A 30 1.549 -4.245 -8.368 1.00 0.00 C ATOM 474 CD2 LEU A 30 3.088 -4.775 -10.231 1.00 0.00 C ATOM 0 H LEU A 30 3.966 -1.750 -8.434 1.00 0.00 H new ATOM 0 HA LEU A 30 2.551 -0.403 -10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.083 -2.597 -10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.634 -2.487 -11.034 1.00 0.00 H new ATOM 0 HG LEU A 30 3.487 -3.340 -8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.934 -5.103 -7.817 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.215 -3.482 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.709 -4.559 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.444 -5.637 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.239 -5.070 -10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.889 -4.403 -10.870 1.00 0.00 H new ATOM 486 N LEU A 31 0.803 -0.890 -7.641 1.00 0.00 N ATOM 487 CA LEU A 31 -0.315 -0.442 -6.821 1.00 0.00 C ATOM 488 C LEU A 31 -0.454 1.080 -6.899 1.00 0.00 C ATOM 489 O LEU A 31 -1.489 1.614 -7.303 1.00 0.00 O ATOM 490 CB LEU A 31 -0.097 -0.885 -5.364 1.00 0.00 C ATOM 491 CG LEU A 31 -1.390 -1.188 -4.604 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.118 -1.210 -3.096 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.561 -0.251 -4.890 1.00 0.00 C ATOM 0 H LEU A 31 1.399 -1.567 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.235 -0.891 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.533 -1.774 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.448 -0.103 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.703 -2.165 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.044 -1.426 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.381 -1.980 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.736 -0.239 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.424 -0.557 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.283 0.769 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.812 -0.296 -5.950 1.00 0.00 H new ATOM 505 N LEU A 32 0.615 1.775 -6.502 1.00 0.00 N ATOM 506 CA LEU A 32 0.628 3.227 -6.445 1.00 0.00 C ATOM 507 C LEU A 32 0.365 3.809 -7.821 1.00 0.00 C ATOM 508 O LEU A 32 -0.468 4.703 -7.967 1.00 0.00 O ATOM 509 CB LEU A 32 1.960 3.767 -5.912 1.00 0.00 C ATOM 510 CG LEU A 32 2.251 3.370 -4.463 1.00 0.00 C ATOM 511 CD1 LEU A 32 3.651 3.871 -4.088 1.00 0.00 C ATOM 512 CD2 LEU A 32 1.221 3.925 -3.472 1.00 0.00 C ATOM 0 H LEU A 32 1.492 1.341 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.161 3.530 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.768 3.405 -6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.957 4.854 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 32 2.193 2.283 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.872 3.595 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.389 3.419 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.689 4.956 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.481 3.609 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.217 5.014 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.231 3.547 -3.726 1.00 0.00 H new ATOM 524 N GLN A 33 1.096 3.306 -8.816 1.00 0.00 N ATOM 525 CA GLN A 33 1.014 3.777 -10.176 1.00 0.00 C ATOM 526 C GLN A 33 -0.423 3.712 -10.695 1.00 0.00 C ATOM 527 O GLN A 33 -0.926 4.709 -11.216 1.00 0.00 O ATOM 528 CB GLN A 33 1.949 2.913 -11.013 1.00 0.00 C ATOM 529 CG GLN A 33 3.406 3.383 -10.966 1.00 0.00 C ATOM 530 CD GLN A 33 4.338 2.548 -11.846 1.00 0.00 C ATOM 531 OE1 GLN A 33 4.061 1.262 -12.048 1.00 0.00 O flip ATOM 532 NE2 GLN A 33 5.334 3.059 -12.354 1.00 0.00 N flip ATOM 0 H GLN A 33 1.768 2.550 -8.686 1.00 0.00 H new ATOM 0 HA GLN A 33 1.315 4.823 -10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.894 1.883 -10.661 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.606 2.915 -12.048 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.455 4.425 -11.282 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.760 3.346 -9.936 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.539 4.045 -12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.955 2.497 -12.935 1.00 0.00 H new ATOM 541 N THR A 34 -1.086 2.558 -10.575 1.00 0.00 N ATOM 542 CA THR A 34 -2.467 2.444 -11.017 1.00 0.00 C ATOM 543 C THR A 34 -3.388 3.327 -10.164 1.00 0.00 C ATOM 544 O THR A 34 -4.185 4.084 -10.726 1.00 0.00 O ATOM 545 CB THR A 34 -2.913 0.970 -11.059 1.00 0.00 C ATOM 546 OG1 THR A 34 -2.158 0.254 -12.013 1.00 0.00 O ATOM 547 CG2 THR A 34 -4.374 0.824 -11.494 1.00 0.00 C ATOM 0 H THR A 34 -0.691 1.704 -10.181 1.00 0.00 H new ATOM 0 HA THR A 34 -2.541 2.816 -12.039 1.00 0.00 H new ATOM 0 HB THR A 34 -2.772 0.586 -10.049 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.451 -0.681 -12.027 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.645 -0.232 -11.509 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.017 1.354 -10.792 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.501 1.246 -12.491 1.00 0.00 H new ATOM 555 N GLU A 35 -3.350 3.207 -8.832 1.00 0.00 N ATOM 556 CA GLU A 35 -4.463 3.658 -7.999 1.00 0.00 C ATOM 557 C GLU A 35 -4.257 5.030 -7.333 1.00 0.00 C ATOM 558 O GLU A 35 -5.256 5.691 -7.043 1.00 0.00 O ATOM 559 CB GLU A 35 -4.827 2.569 -6.976 1.00 0.00 C ATOM 560 CG GLU A 35 -5.058 1.159 -7.564 1.00 0.00 C ATOM 561 CD GLU A 35 -6.322 1.003 -8.401 1.00 0.00 C ATOM 562 OE1 GLU A 35 -6.929 1.988 -8.817 1.00 0.00 O ATOM 563 OE2 GLU A 35 -6.681 -0.195 -8.645 1.00 0.00 O ATOM 0 H GLU A 35 -2.568 2.805 -8.315 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.304 3.818 -8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.030 2.509 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.730 2.877 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.199 0.895 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.094 0.442 -6.744 1.00 0.00 H new ATOM 570 N PHE A 36 -3.014 5.469 -7.083 1.00 0.00 N ATOM 571 CA PHE A 36 -2.727 6.650 -6.256 1.00 0.00 C ATOM 572 C PHE A 36 -1.857 7.758 -6.892 1.00 0.00 C ATOM 573 O PHE A 36 -1.273 8.540 -6.141 1.00 0.00 O ATOM 574 CB PHE A 36 -2.070 6.178 -4.945 1.00 0.00 C ATOM 575 CG PHE A 36 -2.935 5.309 -4.050 1.00 0.00 C ATOM 576 CD1 PHE A 36 -2.928 3.908 -4.185 1.00 0.00 C ATOM 577 CD2 PHE A 36 -3.700 5.902 -3.028 1.00 0.00 C ATOM 578 CE1 PHE A 36 -3.713 3.113 -3.332 1.00 0.00 C ATOM 579 CE2 PHE A 36 -4.498 5.111 -2.188 1.00 0.00 C ATOM 580 CZ PHE A 36 -4.494 3.713 -2.332 1.00 0.00 C ATOM 0 H PHE A 36 -2.178 5.014 -7.450 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.695 7.129 -6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.165 5.624 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.761 7.056 -4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.318 3.443 -4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.672 6.973 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.715 2.039 -3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.114 5.575 -1.432 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.092 3.100 -1.673 1.00 0.00 H new ATOM 590 N PRO A 37 -1.750 7.920 -8.219 1.00 0.00 N ATOM 591 CA PRO A 37 -0.756 8.818 -8.800 1.00 0.00 C ATOM 592 C PRO A 37 -0.956 10.285 -8.396 1.00 0.00 C ATOM 593 O PRO A 37 0.011 10.963 -8.037 1.00 0.00 O ATOM 594 CB PRO A 37 -0.854 8.617 -10.314 1.00 0.00 C ATOM 595 CG PRO A 37 -2.277 8.096 -10.517 1.00 0.00 C ATOM 596 CD PRO A 37 -2.538 7.281 -9.253 1.00 0.00 C ATOM 0 HA PRO A 37 0.240 8.580 -8.427 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.688 9.549 -10.854 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.111 7.904 -10.673 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.992 8.912 -10.624 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.356 7.482 -11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.597 7.280 -8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.242 6.241 -9.387 1.00 0.00 H new ATOM 604 N SER A 38 -2.199 10.776 -8.456 1.00 0.00 N ATOM 605 CA SER A 38 -2.547 12.135 -8.064 1.00 0.00 C ATOM 606 C SER A 38 -2.583 12.279 -6.545 1.00 0.00 C ATOM 607 O SER A 38 -2.304 13.354 -6.020 1.00 0.00 O ATOM 608 CB SER A 38 -3.883 12.535 -8.708 1.00 0.00 C ATOM 609 OG SER A 38 -4.892 11.580 -8.417 1.00 0.00 O ATOM 0 H SER A 38 -2.996 10.230 -8.783 1.00 0.00 H new ATOM 0 HA SER A 38 -1.776 12.816 -8.425 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.188 13.515 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.759 12.622 -9.787 1.00 0.00 H new ATOM 0 HG SER A 38 -5.734 11.856 -8.836 1.00 0.00 H new ATOM 689 N SER A 44 8.190 12.324 -0.992 1.00 0.00 N ATOM 690 CA SER A 44 8.498 10.923 -0.732 1.00 0.00 C ATOM 691 C SER A 44 8.520 10.079 -2.015 1.00 0.00 C ATOM 692 O SER A 44 7.545 10.061 -2.778 1.00 0.00 O ATOM 693 CB SER A 44 7.473 10.340 0.255 1.00 0.00 C ATOM 694 OG SER A 44 7.464 11.010 1.507 1.00 0.00 O ATOM 0 HA SER A 44 9.499 10.885 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.478 10.396 -0.188 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.692 9.284 0.416 1.00 0.00 H new ATOM 0 HG SER A 44 7.577 11.973 1.364 1.00 0.00 H new ATOM 700 N THR A 45 9.637 9.379 -2.231 1.00 0.00 N ATOM 701 CA THR A 45 9.786 8.350 -3.254 1.00 0.00 C ATOM 702 C THR A 45 9.359 6.985 -2.692 1.00 0.00 C ATOM 703 O THR A 45 9.254 6.819 -1.477 1.00 0.00 O ATOM 704 CB THR A 45 11.230 8.361 -3.799 1.00 0.00 C ATOM 705 OG1 THR A 45 11.849 9.611 -3.553 1.00 0.00 O ATOM 706 CG2 THR A 45 11.328 8.067 -5.296 1.00 0.00 C ATOM 0 H THR A 45 10.485 9.519 -1.681 1.00 0.00 H new ATOM 0 HA THR A 45 9.129 8.558 -4.098 1.00 0.00 H new ATOM 0 HB THR A 45 11.741 7.558 -3.267 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.236 9.613 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.373 8.092 -5.604 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.913 7.080 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.768 8.819 -5.852 1.00 0.00 H new ATOM 714 N LEU A 46 9.117 6.013 -3.581 1.00 0.00 N ATOM 715 CA LEU A 46 8.652 4.661 -3.274 1.00 0.00 C ATOM 716 C LEU A 46 9.314 4.094 -2.021 1.00 0.00 C ATOM 717 O LEU A 46 8.642 3.619 -1.110 1.00 0.00 O ATOM 718 CB LEU A 46 8.971 3.751 -4.474 1.00 0.00 C ATOM 719 CG LEU A 46 8.581 2.276 -4.256 1.00 0.00 C ATOM 720 CD1 LEU A 46 7.074 2.082 -4.434 1.00 0.00 C ATOM 721 CD2 LEU A 46 9.356 1.386 -5.230 1.00 0.00 C ATOM 0 H LEU A 46 9.248 6.159 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 46 7.579 4.704 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.450 4.129 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.038 3.807 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 46 8.838 1.992 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.821 1.034 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.540 2.698 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.786 2.376 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.077 0.344 -5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.118 1.674 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.426 1.505 -5.059 1.00 0.00 H new ATOM 733 N ASP A 47 10.644 4.084 -2.024 1.00 0.00 N ATOM 734 CA ASP A 47 11.469 3.365 -1.090 1.00 0.00 C ATOM 735 C ASP A 47 11.359 4.064 0.266 1.00 0.00 C ATOM 736 O ASP A 47 11.120 3.425 1.283 1.00 0.00 O ATOM 737 CB ASP A 47 12.912 3.305 -1.633 1.00 0.00 C ATOM 738 CG ASP A 47 13.018 2.946 -3.119 1.00 0.00 C ATOM 739 OD1 ASP A 47 12.761 3.854 -3.943 1.00 0.00 O ATOM 740 OD2 ASP A 47 13.407 1.802 -3.466 1.00 0.00 O ATOM 0 H ASP A 47 11.189 4.603 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 47 11.143 2.333 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.388 4.272 -1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.474 2.572 -1.054 1.00 0.00 H new ATOM 745 N GLU A 48 11.466 5.394 0.253 1.00 0.00 N ATOM 746 CA GLU A 48 11.320 6.257 1.417 1.00 0.00 C ATOM 747 C GLU A 48 9.942 6.073 2.066 1.00 0.00 C ATOM 748 O GLU A 48 9.826 6.039 3.294 1.00 0.00 O ATOM 749 CB GLU A 48 11.511 7.717 0.978 1.00 0.00 C ATOM 750 CG GLU A 48 12.821 7.931 0.206 1.00 0.00 C ATOM 751 CD GLU A 48 12.959 9.365 -0.251 1.00 0.00 C ATOM 752 OE1 GLU A 48 12.028 9.860 -0.930 1.00 0.00 O ATOM 753 OE2 GLU A 48 14.024 9.964 0.032 1.00 0.00 O ATOM 0 H GLU A 48 11.664 5.914 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 48 12.074 5.991 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.671 8.018 0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.501 8.362 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.667 7.666 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.850 7.267 -0.658 1.00 0.00 H new ATOM 760 N LEU A 49 8.908 5.982 1.221 1.00 0.00 N ATOM 761 CA LEU A 49 7.517 5.796 1.609 1.00 0.00 C ATOM 762 C LEU A 49 7.309 4.411 2.222 1.00 0.00 C ATOM 763 O LEU A 49 6.912 4.306 3.383 1.00 0.00 O ATOM 764 CB LEU A 49 6.624 6.057 0.385 1.00 0.00 C ATOM 765 CG LEU A 49 5.147 5.686 0.578 1.00 0.00 C ATOM 766 CD1 LEU A 49 4.512 6.420 1.766 1.00 0.00 C ATOM 767 CD2 LEU A 49 4.372 6.024 -0.701 1.00 0.00 C ATOM 0 H LEU A 49 9.029 6.039 0.210 1.00 0.00 H new ATOM 0 HA LEU A 49 7.238 6.509 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.688 7.113 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.018 5.495 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 49 5.098 4.618 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.467 6.124 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.046 6.163 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.570 7.496 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.322 5.763 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.457 7.091 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.785 5.459 -1.537 1.00 0.00 H new ATOM 779 N PHE A 50 7.602 3.344 1.471 1.00 0.00 N ATOM 780 CA PHE A 50 7.726 1.999 1.989 1.00 0.00 C ATOM 781 C PHE A 50 8.421 2.006 3.348 1.00 0.00 C ATOM 782 O PHE A 50 7.961 1.345 4.271 1.00 0.00 O ATOM 783 CB PHE A 50 8.523 1.184 0.971 1.00 0.00 C ATOM 784 CG PHE A 50 8.515 -0.294 1.252 1.00 0.00 C ATOM 785 CD1 PHE A 50 9.483 -0.865 2.093 1.00 0.00 C ATOM 786 CD2 PHE A 50 7.526 -1.095 0.660 1.00 0.00 C ATOM 787 CE1 PHE A 50 9.581 -2.266 2.190 1.00 0.00 C ATOM 788 CE2 PHE A 50 7.585 -2.489 0.813 1.00 0.00 C ATOM 789 CZ PHE A 50 8.686 -3.071 1.470 1.00 0.00 C ATOM 0 H PHE A 50 7.761 3.405 0.465 1.00 0.00 H new ATOM 0 HA PHE A 50 6.741 1.556 2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.114 1.359 -0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.554 1.539 0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.149 -0.233 2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.727 -0.643 0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.339 -2.717 2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.790 -3.112 0.429 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.842 -4.139 1.419 1.00 0.00 H new ATOM 799 N GLU A 51 9.530 2.739 3.475 1.00 0.00 N ATOM 800 CA GLU A 51 10.253 2.757 4.747 1.00 0.00 C ATOM 801 C GLU A 51 9.681 3.656 5.863 1.00 0.00 C ATOM 802 O GLU A 51 10.224 3.631 6.971 1.00 0.00 O ATOM 803 CB GLU A 51 11.747 2.975 4.485 1.00 0.00 C ATOM 804 CG GLU A 51 12.312 1.752 3.733 1.00 0.00 C ATOM 805 CD GLU A 51 13.764 1.929 3.331 1.00 0.00 C ATOM 806 OE1 GLU A 51 14.438 2.792 3.924 1.00 0.00 O ATOM 807 OE2 GLU A 51 14.208 1.109 2.471 1.00 0.00 O ATOM 0 H GLU A 51 9.937 3.312 2.736 1.00 0.00 H new ATOM 0 HA GLU A 51 10.101 1.771 5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.897 3.880 3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.277 3.115 5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.220 0.868 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.712 1.571 2.841 1.00 0.00 H new ATOM 814 N GLU A 52 8.588 4.395 5.644 1.00 0.00 N ATOM 815 CA GLU A 52 7.660 4.759 6.712 1.00 0.00 C ATOM 816 C GLU A 52 6.787 3.537 7.006 1.00 0.00 C ATOM 817 O GLU A 52 6.614 3.125 8.161 1.00 0.00 O ATOM 818 CB GLU A 52 6.784 5.935 6.241 1.00 0.00 C ATOM 819 CG GLU A 52 5.575 6.265 7.156 1.00 0.00 C ATOM 820 CD GLU A 52 5.677 7.587 7.900 1.00 0.00 C ATOM 821 OE1 GLU A 52 5.508 8.647 7.270 1.00 0.00 O ATOM 822 OE2 GLU A 52 5.886 7.566 9.148 1.00 0.00 O ATOM 0 H GLU A 52 8.326 4.754 4.726 1.00 0.00 H new ATOM 0 HA GLU A 52 8.197 5.061 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.410 6.823 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.412 5.713 5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.670 6.276 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.460 5.463 7.885 1.00 0.00 H new ATOM 829 N LEU A 53 6.215 2.999 5.930 1.00 0.00 N ATOM 830 CA LEU A 53 5.175 1.995 5.960 1.00 0.00 C ATOM 831 C LEU A 53 5.576 0.745 6.736 1.00 0.00 C ATOM 832 O LEU A 53 4.872 0.369 7.676 1.00 0.00 O ATOM 833 CB LEU A 53 4.758 1.664 4.514 1.00 0.00 C ATOM 834 CG LEU A 53 3.539 2.481 4.081 1.00 0.00 C ATOM 835 CD1 LEU A 53 3.441 2.519 2.554 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.294 1.804 4.653 1.00 0.00 C ATOM 0 H LEU A 53 6.480 3.267 4.982 1.00 0.00 H new ATOM 0 HA LEU A 53 4.321 2.403 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.590 1.865 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.532 0.601 4.434 1.00 0.00 H new ATOM 0 HG LEU A 53 3.627 3.504 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.569 3.103 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.341 2.977 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.343 1.503 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.407 2.366 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.223 0.787 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.362 1.776 5.740 1.00 0.00 H new ATOM 848 N ASP A 54 6.680 0.095 6.361 1.00 0.00 N ATOM 849 CA ASP A 54 7.055 -1.158 6.965 1.00 0.00 C ATOM 850 C ASP A 54 7.663 -0.838 8.327 1.00 0.00 C ATOM 851 O ASP A 54 8.626 -0.075 8.430 1.00 0.00 O ATOM 852 CB ASP A 54 8.046 -1.925 6.103 1.00 0.00 C ATOM 853 CG ASP A 54 8.151 -3.316 6.680 1.00 0.00 C ATOM 854 OD1 ASP A 54 8.610 -3.449 7.832 1.00 0.00 O ATOM 855 OD2 ASP A 54 7.708 -4.270 6.004 1.00 0.00 O ATOM 0 H ASP A 54 7.321 0.427 5.641 1.00 0.00 H new ATOM 0 HA ASP A 54 6.178 -1.797 7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.708 -1.962 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.019 -1.433 6.104 1.00 0.00 H new ATOM 860 N LYS A 55 7.036 -1.350 9.379 1.00 0.00 N ATOM 861 CA LYS A 55 7.358 -1.002 10.754 1.00 0.00 C ATOM 862 C LYS A 55 8.836 -1.205 11.094 1.00 0.00 C ATOM 863 O LYS A 55 9.465 -0.258 11.574 1.00 0.00 O ATOM 864 CB LYS A 55 6.440 -1.753 11.716 1.00 0.00 C ATOM 865 CG LYS A 55 6.635 -1.441 13.209 1.00 0.00 C ATOM 866 CD LYS A 55 6.039 -0.096 13.668 1.00 0.00 C ATOM 867 CE LYS A 55 6.821 1.184 13.330 1.00 0.00 C ATOM 868 NZ LYS A 55 8.259 1.095 13.659 1.00 0.00 N ATOM 0 H LYS A 55 6.279 -2.028 9.298 1.00 0.00 H new ATOM 0 HA LYS A 55 7.180 0.067 10.869 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.407 -1.531 11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.585 -2.823 11.566 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.185 -2.242 13.796 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.702 -1.445 13.431 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.043 -0.005 13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.913 -0.137 14.750 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.711 1.398 12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.383 2.023 13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.631 2.047 13.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.386 0.497 14.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.773 0.678 12.857 1.00 0.00 H new ATOM 882 N ASN A 56 9.368 -2.414 10.884 1.00 0.00 N ATOM 883 CA ASN A 56 10.785 -2.763 11.034 1.00 0.00 C ATOM 884 C ASN A 56 10.988 -4.209 10.565 1.00 0.00 C ATOM 885 O ASN A 56 11.566 -5.041 11.267 1.00 0.00 O ATOM 886 CB ASN A 56 11.271 -2.562 12.489 1.00 0.00 C ATOM 887 CG ASN A 56 12.737 -2.962 12.725 1.00 0.00 C ATOM 888 OD1 ASN A 56 13.053 -3.602 13.732 1.00 0.00 O ATOM 889 ND2 ASN A 56 13.651 -2.599 11.821 1.00 0.00 N ATOM 0 H ASN A 56 8.799 -3.209 10.593 1.00 0.00 H new ATOM 0 HA ASN A 56 11.387 -2.096 10.417 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.144 -1.514 12.761 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.635 -3.144 13.156 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.630 -2.851 11.956 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.370 -2.070 10.995 1.00 0.00 H new ATOM 896 N GLY A 57 10.539 -4.517 9.349 1.00 0.00 N ATOM 897 CA GLY A 57 10.614 -5.854 8.794 1.00 0.00 C ATOM 898 C GLY A 57 10.206 -5.749 7.328 1.00 0.00 C ATOM 899 O GLY A 57 9.203 -6.341 6.942 1.00 0.00 O ATOM 0 H GLY A 57 10.111 -3.836 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.624 -6.254 8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.952 -6.533 9.331 1.00 0.00 H new ATOM 903 N ASP A 58 10.822 -4.914 6.484 1.00 0.00 N ATOM 904 CA ASP A 58 12.227 -4.914 6.078 1.00 0.00 C ATOM 905 C ASP A 58 12.321 -5.581 4.702 1.00 0.00 C ATOM 906 O ASP A 58 13.214 -5.262 3.910 1.00 0.00 O ATOM 907 CB ASP A 58 13.216 -5.580 7.050 1.00 0.00 C ATOM 908 CG ASP A 58 13.240 -7.108 6.977 1.00 0.00 C ATOM 909 OD1 ASP A 58 12.174 -7.772 6.986 1.00 0.00 O ATOM 910 OD2 ASP A 58 14.384 -7.617 6.949 1.00 0.00 O ATOM 0 H ASP A 58 10.306 -4.160 6.031 1.00 0.00 H new ATOM 0 HA ASP A 58 12.536 -3.869 6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.218 -5.203 6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.964 -5.281 8.067 1.00 0.00 H new ATOM 915 N GLY A 59 11.397 -6.514 4.461 1.00 0.00 N ATOM 916 CA GLY A 59 11.240 -7.283 3.247 1.00 0.00 C ATOM 917 C GLY A 59 9.945 -6.868 2.562 1.00 0.00 C ATOM 918 O GLY A 59 10.006 -6.261 1.494 1.00 0.00 O ATOM 0 H GLY A 59 10.698 -6.760 5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.088 -7.115 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.220 -8.348 3.476 1.00 0.00 H new ATOM 922 N GLU A 60 8.776 -7.169 3.154 1.00 0.00 N ATOM 923 CA GLU A 60 7.489 -6.812 2.571 1.00 0.00 C ATOM 924 C GLU A 60 6.522 -6.246 3.623 1.00 0.00 C ATOM 925 O GLU A 60 6.621 -6.570 4.808 1.00 0.00 O ATOM 926 CB GLU A 60 6.894 -8.052 1.888 1.00 0.00 C ATOM 927 CG GLU A 60 7.843 -8.864 0.982 1.00 0.00 C ATOM 928 CD GLU A 60 8.403 -10.094 1.685 1.00 0.00 C ATOM 929 OE1 GLU A 60 7.617 -11.053 1.880 1.00 0.00 O ATOM 930 OE2 GLU A 60 9.617 -10.101 2.001 1.00 0.00 O ATOM 0 H GLU A 60 8.706 -7.663 4.044 1.00 0.00 H new ATOM 0 HA GLU A 60 7.643 -6.024 1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.511 -8.717 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.040 -7.734 1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.308 -9.174 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.666 -8.227 0.659 1.00 0.00 H new ATOM 937 N VAL A 61 5.586 -5.400 3.185 1.00 0.00 N ATOM 938 CA VAL A 61 4.490 -4.838 3.978 1.00 0.00 C ATOM 939 C VAL A 61 3.350 -5.854 3.993 1.00 0.00 C ATOM 940 O VAL A 61 3.331 -6.775 3.183 1.00 0.00 O ATOM 941 CB VAL A 61 4.062 -3.480 3.357 1.00 0.00 C ATOM 942 CG1 VAL A 61 2.808 -2.846 3.974 1.00 0.00 C ATOM 943 CG2 VAL A 61 5.202 -2.458 3.506 1.00 0.00 C ATOM 0 H VAL A 61 5.572 -5.072 2.219 1.00 0.00 H new ATOM 0 HA VAL A 61 4.793 -4.645 5.007 1.00 0.00 H new ATOM 0 HB VAL A 61 3.831 -3.715 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.593 -1.903 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.962 -3.522 3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.978 -2.662 5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.897 -1.507 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.428 -2.316 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.090 -2.826 2.992 1.00 0.00 H new ATOM 953 N SER A 62 2.361 -5.695 4.872 1.00 0.00 N ATOM 954 CA SER A 62 1.065 -6.348 4.732 1.00 0.00 C ATOM 955 C SER A 62 0.011 -5.392 5.293 1.00 0.00 C ATOM 956 O SER A 62 0.375 -4.342 5.829 1.00 0.00 O ATOM 957 CB SER A 62 1.069 -7.756 5.355 1.00 0.00 C ATOM 958 OG SER A 62 1.780 -7.789 6.575 1.00 0.00 O ATOM 0 H SER A 62 2.439 -5.108 5.702 1.00 0.00 H new ATOM 0 HA SER A 62 0.821 -6.539 3.687 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.043 -8.081 5.524 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.516 -8.462 4.655 1.00 0.00 H new ATOM 0 HG SER A 62 1.759 -8.698 6.941 1.00 0.00 H new ATOM 964 N PHE A 63 -1.276 -5.720 5.122 1.00 0.00 N ATOM 965 CA PHE A 63 -2.400 -4.839 5.435 1.00 0.00 C ATOM 966 C PHE A 63 -2.207 -4.135 6.777 1.00 0.00 C ATOM 967 O PHE A 63 -2.392 -2.918 6.849 1.00 0.00 O ATOM 968 CB PHE A 63 -3.729 -5.583 5.344 1.00 0.00 C ATOM 969 CG PHE A 63 -4.931 -4.716 5.646 1.00 0.00 C ATOM 970 CD1 PHE A 63 -5.492 -3.951 4.611 1.00 0.00 C ATOM 971 CD2 PHE A 63 -5.386 -4.538 6.969 1.00 0.00 C ATOM 972 CE1 PHE A 63 -6.615 -3.147 4.857 1.00 0.00 C ATOM 973 CE2 PHE A 63 -6.464 -3.672 7.228 1.00 0.00 C ATOM 974 CZ PHE A 63 -7.144 -3.063 6.156 1.00 0.00 C ATOM 0 H PHE A 63 -1.567 -6.626 4.754 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.430 -4.053 4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.835 -6.000 4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.714 -6.423 6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.058 -3.982 3.623 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.908 -5.065 7.781 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.072 -2.594 4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.769 -3.475 8.245 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.069 -2.533 6.332 1.00 0.00 H new ATOM 984 N GLU A 64 -1.799 -4.890 7.804 1.00 0.00 N ATOM 985 CA GLU A 64 -1.420 -4.376 9.113 1.00 0.00 C ATOM 986 C GLU A 64 -0.683 -3.032 9.021 1.00 0.00 C ATOM 987 O GLU A 64 -1.136 -2.028 9.567 1.00 0.00 O ATOM 988 CB GLU A 64 -0.551 -5.425 9.827 1.00 0.00 C ATOM 989 CG GLU A 64 -0.345 -5.117 11.324 1.00 0.00 C ATOM 990 CD GLU A 64 -1.648 -5.112 12.103 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.086 -6.206 12.527 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.238 -4.021 12.268 1.00 0.00 O ATOM 0 H GLU A 64 -1.723 -5.905 7.739 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.329 -4.191 9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.016 -6.405 9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.420 -5.480 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.329 -5.858 11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.140 -4.147 11.428 1.00 0.00 H new ATOM 999 N GLU A 65 0.457 -3.018 8.330 1.00 0.00 N ATOM 1000 CA GLU A 65 1.336 -1.862 8.261 1.00 0.00 C ATOM 1001 C GLU A 65 0.771 -0.881 7.232 1.00 0.00 C ATOM 1002 O GLU A 65 0.831 0.336 7.424 1.00 0.00 O ATOM 1003 CB GLU A 65 2.818 -2.252 8.029 1.00 0.00 C ATOM 1004 CG GLU A 65 3.135 -3.765 7.970 1.00 0.00 C ATOM 1005 CD GLU A 65 4.462 -4.149 8.602 1.00 0.00 C ATOM 1006 OE1 GLU A 65 4.459 -4.248 9.853 1.00 0.00 O ATOM 1007 OE2 GLU A 65 5.415 -4.473 7.856 1.00 0.00 O ATOM 0 H GLU A 65 0.795 -3.820 7.798 1.00 0.00 H new ATOM 0 HA GLU A 65 1.358 -1.357 9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.147 -1.798 7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.416 -1.810 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.336 -4.312 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.136 -4.084 6.928 1.00 0.00 H new ATOM 1014 N PHE A 66 0.132 -1.408 6.178 1.00 0.00 N ATOM 1015 CA PHE A 66 -0.590 -0.583 5.207 1.00 0.00 C ATOM 1016 C PHE A 66 -1.593 0.381 5.857 1.00 0.00 C ATOM 1017 O PHE A 66 -1.909 1.411 5.273 1.00 0.00 O ATOM 1018 CB PHE A 66 -1.269 -1.472 4.162 1.00 0.00 C ATOM 1019 CG PHE A 66 -1.848 -0.733 2.974 1.00 0.00 C ATOM 1020 CD1 PHE A 66 -1.055 -0.480 1.839 1.00 0.00 C ATOM 1021 CD2 PHE A 66 -3.188 -0.302 3.003 1.00 0.00 C ATOM 1022 CE1 PHE A 66 -1.629 0.106 0.698 1.00 0.00 C ATOM 1023 CE2 PHE A 66 -3.733 0.372 1.894 1.00 0.00 C ATOM 1024 CZ PHE A 66 -2.970 0.524 0.722 1.00 0.00 C ATOM 0 H PHE A 66 0.102 -2.408 5.978 1.00 0.00 H new ATOM 0 HA PHE A 66 0.149 0.049 4.713 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.544 -2.200 3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.068 -2.032 4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.006 -0.736 1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.797 -0.488 3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.039 0.235 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.735 0.772 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.415 0.962 -0.159 1.00 0.00 H new ATOM 1034 N GLN A 67 -2.086 0.119 7.070 1.00 0.00 N ATOM 1035 CA GLN A 67 -2.978 1.076 7.720 1.00 0.00 C ATOM 1036 C GLN A 67 -2.346 2.463 7.910 1.00 0.00 C ATOM 1037 O GLN A 67 -3.059 3.465 7.960 1.00 0.00 O ATOM 1038 CB GLN A 67 -3.639 0.494 8.979 1.00 0.00 C ATOM 1039 CG GLN A 67 -4.244 -0.884 8.723 1.00 0.00 C ATOM 1040 CD GLN A 67 -5.154 -0.838 7.508 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -6.287 -0.370 7.588 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -4.654 -1.301 6.369 1.00 0.00 N ATOM 0 H GLN A 67 -1.889 -0.725 7.608 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.800 1.258 7.028 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.899 0.423 9.777 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.418 1.173 9.326 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.450 -1.614 8.565 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.808 -1.210 9.597 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.708 -1.682 6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.216 -1.276 5.518 1.00 0.00 H new ATOM 1051 N VAL A 68 -1.014 2.558 7.921 1.00 0.00 N ATOM 1052 CA VAL A 68 -0.343 3.852 7.849 1.00 0.00 C ATOM 1053 C VAL A 68 -0.709 4.579 6.544 1.00 0.00 C ATOM 1054 O VAL A 68 -0.939 5.788 6.557 1.00 0.00 O ATOM 1055 CB VAL A 68 1.173 3.668 8.011 1.00 0.00 C ATOM 1056 CG1 VAL A 68 1.918 5.008 7.935 1.00 0.00 C ATOM 1057 CG2 VAL A 68 1.483 3.014 9.362 1.00 0.00 C ATOM 0 H VAL A 68 -0.385 1.757 7.979 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.685 4.483 8.669 1.00 0.00 H new ATOM 0 HB VAL A 68 1.510 3.031 7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.988 4.837 8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.730 5.474 6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.565 5.666 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.561 2.888 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.112 3.648 10.167 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.997 2.040 9.415 1.00 0.00 H new ATOM 1067 N LEU A 69 -0.798 3.858 5.420 1.00 0.00 N ATOM 1068 CA LEU A 69 -1.282 4.412 4.158 1.00 0.00 C ATOM 1069 C LEU A 69 -2.731 4.866 4.355 1.00 0.00 C ATOM 1070 O LEU A 69 -3.067 6.007 4.037 1.00 0.00 O ATOM 1071 CB LEU A 69 -1.130 3.363 3.032 1.00 0.00 C ATOM 1072 CG LEU A 69 -1.294 3.834 1.577 1.00 0.00 C ATOM 1073 CD1 LEU A 69 -2.759 4.051 1.188 1.00 0.00 C ATOM 1074 CD2 LEU A 69 -0.449 5.069 1.259 1.00 0.00 C ATOM 0 H LEU A 69 -0.535 2.874 5.364 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.694 5.279 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.142 2.912 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.860 2.573 3.211 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.916 3.017 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.815 4.383 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.308 3.116 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.199 4.809 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.603 5.358 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.745 5.890 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.605 4.840 1.419 1.00 0.00 H new ATOM 1086 N VAL A 70 -3.578 3.990 4.914 1.00 0.00 N ATOM 1087 CA VAL A 70 -4.991 4.292 5.161 1.00 0.00 C ATOM 1088 C VAL A 70 -5.165 5.544 6.030 1.00 0.00 C ATOM 1089 O VAL A 70 -6.145 6.276 5.875 1.00 0.00 O ATOM 1090 CB VAL A 70 -5.748 3.093 5.756 1.00 0.00 C ATOM 1091 CG1 VAL A 70 -7.234 3.448 5.922 1.00 0.00 C ATOM 1092 CG2 VAL A 70 -5.628 1.865 4.843 1.00 0.00 C ATOM 0 H VAL A 70 -3.301 3.053 5.207 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.435 4.502 4.188 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.308 2.859 6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.767 2.596 6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.331 4.304 6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.659 3.697 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.171 1.029 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.050 2.096 3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.578 1.596 4.731 1.00 0.00 H new ATOM 1102 N LYS A 71 -4.224 5.824 6.933 1.00 0.00 N ATOM 1103 CA LYS A 71 -4.188 7.097 7.613 1.00 0.00 C ATOM 1104 C LYS A 71 -3.756 8.183 6.624 1.00 0.00 C ATOM 1105 O LYS A 71 -4.469 9.167 6.419 1.00 0.00 O ATOM 1106 CB LYS A 71 -3.240 6.992 8.804 1.00 0.00 C ATOM 1107 CG LYS A 71 -3.331 8.232 9.692 1.00 0.00 C ATOM 1108 CD LYS A 71 -2.040 8.354 10.495 1.00 0.00 C ATOM 1109 CE LYS A 71 -1.783 7.123 11.372 1.00 0.00 C ATOM 1110 NZ LYS A 71 -0.866 7.429 12.486 1.00 0.00 N ATOM 0 H LYS A 71 -3.481 5.179 7.203 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.174 7.368 7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.482 6.104 9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.217 6.870 8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.483 9.123 9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.187 8.155 10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.202 8.493 9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.089 9.242 11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.729 6.756 11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.361 6.324 10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.716 6.573 13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.045 7.756 12.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.280 8.174 13.082 1.00 0.00 H new ATOM 1124 N LYS A 72 -2.576 8.043 6.004 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.930 9.110 5.278 1.00 0.00 C ATOM 1126 C LYS A 72 -2.676 9.570 4.006 1.00 0.00 C ATOM 1127 O LYS A 72 -2.448 10.683 3.533 1.00 0.00 O ATOM 1128 CB LYS A 72 -0.427 8.855 5.152 1.00 0.00 C ATOM 1129 CG LYS A 72 0.267 9.155 6.493 1.00 0.00 C ATOM 1130 CD LYS A 72 1.801 9.091 6.526 1.00 0.00 C ATOM 1131 CE LYS A 72 2.535 9.966 5.488 1.00 0.00 C ATOM 1132 NZ LYS A 72 3.925 10.310 5.910 1.00 0.00 N ATOM 0 H LYS A 72 -2.049 7.170 6.001 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.008 10.016 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.248 7.819 4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.007 9.483 4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.035 10.152 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.115 8.453 7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.136 9.384 7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.105 8.055 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.568 9.441 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.970 10.884 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.436 10.735 5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.891 10.988 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.418 9.447 6.217 1.00 0.00 H new ATOM 1146 N ILE A 73 -3.643 8.793 3.502 1.00 0.00 N ATOM 1147 CA ILE A 73 -4.586 9.265 2.475 1.00 0.00 C ATOM 1148 C ILE A 73 -5.500 10.410 2.964 1.00 0.00 C ATOM 1149 O ILE A 73 -6.150 11.066 2.146 1.00 0.00 O ATOM 1150 CB ILE A 73 -5.454 8.113 1.970 1.00 0.00 C ATOM 1151 CG1 ILE A 73 -6.055 7.362 3.155 1.00 0.00 C ATOM 1152 CG2 ILE A 73 -4.661 7.177 1.061 1.00 0.00 C ATOM 1153 CD1 ILE A 73 -7.441 6.826 2.809 1.00 0.00 C ATOM 0 H ILE A 73 -3.795 7.827 3.790 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.972 9.659 1.666 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.266 8.524 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.401 6.537 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.122 8.026 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.307 6.368 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.290 7.734 0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.819 6.760 1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.850 6.294 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.098 7.656 2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.366 6.144 1.962 1.00 0.00 H new ATOM 1165 N SER A 74 -5.594 10.620 4.284 1.00 0.00 N ATOM 1166 CA SER A 74 -6.135 11.837 4.892 1.00 0.00 C ATOM 1167 C SER A 74 -5.004 12.792 5.293 1.00 0.00 C ATOM 1168 O SER A 74 -5.165 13.561 6.237 1.00 0.00 O ATOM 1169 CB SER A 74 -6.958 11.459 6.131 1.00 0.00 C ATOM 1170 OG SER A 74 -8.148 10.782 5.760 1.00 0.00 O ATOM 0 H SER A 74 -5.288 9.931 4.972 1.00 0.00 H new ATOM 0 HA SER A 74 -6.770 12.343 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.363 10.824 6.788 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.207 12.358 6.696 1.00 0.00 H new ATOM 0 HG SER A 74 -8.656 10.549 6.565 1.00 0.00 H new ATOM 1176 N GLN A 75 -3.838 12.723 4.653 1.00 0.00 N ATOM 1177 CA GLN A 75 -2.647 13.438 5.090 1.00 0.00 C ATOM 1178 C GLN A 75 -1.854 13.892 3.874 1.00 0.00 C ATOM 1179 O GLN A 75 -1.176 14.915 3.943 1.00 0.00 O ATOM 1180 CB GLN A 75 -1.825 12.506 5.993 1.00 0.00 C ATOM 1181 CG GLN A 75 -1.116 13.164 7.189 1.00 0.00 C ATOM 1182 CD GLN A 75 -1.961 13.150 8.473 1.00 0.00 C ATOM 1183 OE1 GLN A 75 -1.427 13.087 9.584 1.00 0.00 O ATOM 1184 NE2 GLN A 75 -3.287 13.146 8.345 1.00 0.00 N ATOM 0 H GLN A 75 -3.695 12.165 3.811 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.913 14.328 5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.487 11.728 6.374 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.072 12.012 5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.175 12.647 7.375 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.869 14.195 6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.710 13.199 7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.879 13.090 9.174 1.00 0.00 H new