USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 516 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 Single : A 1 MET CE :methyl -154:sc= -0.163 (180deg=-0.721) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 140:sc= 1.05 USER MOD Single : A 12 LYS NZ :NH3+ 169:sc=-0.00812 (180deg=-0.145) USER MOD Single : A 13 MET CE :methyl -121:sc= -0.977 (180deg=-2.73!) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 1.63 (180deg=1.47) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.0793 (180deg=-0.505) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 1.18 K(o=1.2,f=-0.054) USER MOD Single : A 29 THR OG1 : rot -150:sc= -0.737 USER MOD Single : A 31 ASN : amide:sc= 1.24 K(o=1.2,f=-0.0081) USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 THR OG1 : rot -160:sc= -0.92 USER MOD Single : A 48 LYS NZ :NH3+ 125:sc= 1.18 (180deg=-0.584) USER MOD Single : A 50 LYS NZ :NH3+ 140:sc= 0.798 (180deg=0.436) USER MOD Single : A 52 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.63) USER MOD Single : A 58 HIS : no HD1:sc= -0.0071 X(o=-0.0071,f=-0.016) USER MOD Single : A 59 HIS : no HD1:sc= -0.0762 X(o=-0.076,f=-0.0042) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.566 -16.435 2.937 1.00 12.14 N ATOM 2 CA MET A 1 4.276 -15.194 2.575 1.00 34.24 C ATOM 3 C MET A 1 5.301 -15.455 1.477 1.00 35.53 C ATOM 4 O MET A 1 6.278 -16.179 1.675 1.00 31.32 O ATOM 5 CB MET A 1 4.964 -14.589 3.798 1.00 43.33 C ATOM 6 CG MET A 1 5.747 -13.323 3.483 1.00 24.44 C ATOM 7 SD MET A 1 4.729 -12.047 2.712 1.00 54.24 S ATOM 8 CE MET A 1 5.949 -10.763 2.439 1.00 74.22 C ATOM 0 H1 MET A 1 2.873 -16.233 3.686 1.00 12.14 H new ATOM 0 H2 MET A 1 3.073 -16.809 2.101 1.00 12.14 H new ATOM 0 H3 MET A 1 4.250 -17.139 3.279 1.00 12.14 H new ATOM 0 HA MET A 1 3.538 -14.484 2.200 1.00 34.24 H new ATOM 0 HB2 MET A 1 4.213 -14.364 4.555 1.00 43.33 H new ATOM 0 HB3 MET A 1 5.639 -15.328 4.229 1.00 43.33 H new ATOM 0 HG2 MET A 1 6.180 -12.930 4.403 1.00 24.44 H new ATOM 0 HG3 MET A 1 6.577 -13.569 2.821 1.00 24.44 H new ATOM 0 HE1 MET A 1 5.456 -9.791 2.415 1.00 74.22 H new ATOM 0 HE2 MET A 1 6.681 -10.779 3.247 1.00 74.22 H new ATOM 0 HE3 MET A 1 6.454 -10.937 1.489 1.00 74.22 H new ATOM 20 N GLY A 2 5.063 -14.862 0.323 1.00 21.22 N ATOM 21 CA GLY A 2 5.970 -14.977 -0.795 1.00 64.35 C ATOM 22 C GLY A 2 5.740 -13.853 -1.773 1.00 61.30 C ATOM 23 O GLY A 2 5.280 -14.085 -2.892 1.00 0.20 O ATOM 0 H GLY A 2 4.239 -14.290 0.138 1.00 21.22 H new ATOM 0 HA2 GLY A 2 7.000 -14.954 -0.440 1.00 64.35 H new ATOM 0 HA3 GLY A 2 5.825 -15.936 -1.292 1.00 64.35 H new ATOM 27 N GLU A 3 6.060 -12.634 -1.329 1.00 14.44 N ATOM 28 CA GLU A 3 5.744 -11.402 -2.057 1.00 23.31 C ATOM 29 C GLU A 3 4.233 -11.164 -2.062 1.00 71.13 C ATOM 30 O GLU A 3 3.444 -12.086 -2.269 1.00 63.21 O ATOM 31 CB GLU A 3 6.281 -11.439 -3.494 1.00 1.24 C ATOM 32 CG GLU A 3 6.198 -10.100 -4.206 1.00 65.52 C ATOM 33 CD GLU A 3 6.549 -10.189 -5.677 1.00 42.45 C ATOM 34 OE1 GLU A 3 7.746 -10.321 -6.008 1.00 11.01 O ATOM 35 OE2 GLU A 3 5.626 -10.113 -6.516 1.00 62.33 O ATOM 0 H GLU A 3 6.549 -12.473 -0.448 1.00 14.44 H new ATOM 0 HA GLU A 3 6.235 -10.577 -1.542 1.00 23.31 H new ATOM 0 HB2 GLU A 3 7.320 -11.769 -3.477 1.00 1.24 H new ATOM 0 HB3 GLU A 3 5.721 -12.180 -4.064 1.00 1.24 H new ATOM 0 HG2 GLU A 3 5.189 -9.702 -4.102 1.00 65.52 H new ATOM 0 HG3 GLU A 3 6.871 -9.394 -3.720 1.00 65.52 H new ATOM 42 N LEU A 4 3.823 -9.935 -1.805 1.00 21.24 N ATOM 43 CA LEU A 4 2.405 -9.613 -1.770 1.00 15.53 C ATOM 44 C LEU A 4 1.904 -9.240 -3.153 1.00 0.01 C ATOM 45 O LEU A 4 2.689 -8.907 -4.042 1.00 25.30 O ATOM 46 CB LEU A 4 2.132 -8.470 -0.800 1.00 73.34 C ATOM 47 CG LEU A 4 2.585 -8.715 0.637 1.00 54.13 C ATOM 48 CD1 LEU A 4 2.299 -7.494 1.485 1.00 52.10 C ATOM 49 CD2 LEU A 4 1.895 -9.938 1.223 1.00 50.10 C ATOM 0 H LEU A 4 4.445 -9.148 -1.619 1.00 21.24 H new ATOM 0 HA LEU A 4 1.872 -10.500 -1.428 1.00 15.53 H new ATOM 0 HB2 LEU A 4 2.627 -7.573 -1.172 1.00 73.34 H new ATOM 0 HB3 LEU A 4 1.061 -8.265 -0.797 1.00 73.34 H new ATOM 0 HG LEU A 4 3.659 -8.902 0.633 1.00 54.13 H new ATOM 0 HD11 LEU A 4 2.625 -7.677 2.509 1.00 52.10 H new ATOM 0 HD12 LEU A 4 2.837 -6.636 1.081 1.00 52.10 H new ATOM 0 HD13 LEU A 4 1.229 -7.288 1.477 1.00 52.10 H new ATOM 0 HD21 LEU A 4 2.235 -10.091 2.247 1.00 50.10 H new ATOM 0 HD22 LEU A 4 0.816 -9.784 1.218 1.00 50.10 H new ATOM 0 HD23 LEU A 4 2.140 -10.815 0.624 1.00 50.10 H new ATOM 61 N SER A 5 0.598 -9.290 -3.332 1.00 41.31 N ATOM 62 CA SER A 5 -0.003 -8.988 -4.615 1.00 72.05 C ATOM 63 C SER A 5 -0.684 -7.623 -4.590 1.00 33.52 C ATOM 64 O SER A 5 -1.782 -7.473 -4.057 1.00 21.03 O ATOM 65 CB SER A 5 -1.005 -10.080 -4.983 1.00 22.32 C ATOM 66 OG SER A 5 -0.374 -11.352 -5.026 1.00 74.22 O ATOM 0 H SER A 5 -0.069 -9.538 -2.601 1.00 41.31 H new ATOM 0 HA SER A 5 0.782 -8.955 -5.370 1.00 72.05 H new ATOM 0 HB2 SER A 5 -1.816 -10.096 -4.255 1.00 22.32 H new ATOM 0 HB3 SER A 5 -1.452 -9.858 -5.952 1.00 22.32 H new ATOM 0 HG SER A 5 -1.034 -12.037 -5.262 1.00 74.22 H new ATOM 72 N TRP A 6 -0.009 -6.627 -5.141 1.00 31.34 N ATOM 73 CA TRP A 6 -0.582 -5.295 -5.279 1.00 42.43 C ATOM 74 C TRP A 6 -1.446 -5.231 -6.534 1.00 33.54 C ATOM 75 O TRP A 6 -1.072 -5.774 -7.574 1.00 4.43 O ATOM 76 CB TRP A 6 0.528 -4.239 -5.353 1.00 13.13 C ATOM 77 CG TRP A 6 1.151 -3.910 -4.030 1.00 73.35 C ATOM 78 CD1 TRP A 6 1.932 -4.722 -3.253 1.00 11.14 C ATOM 79 CD2 TRP A 6 1.054 -2.659 -3.335 1.00 42.50 C ATOM 80 NE1 TRP A 6 2.318 -4.050 -2.113 1.00 32.11 N ATOM 81 CE2 TRP A 6 1.791 -2.784 -2.144 1.00 24.21 C ATOM 82 CE3 TRP A 6 0.413 -1.443 -3.608 1.00 62.45 C ATOM 83 CZ2 TRP A 6 1.901 -1.742 -1.227 1.00 11.21 C ATOM 84 CZ3 TRP A 6 0.525 -0.410 -2.697 1.00 52.12 C ATOM 85 CH2 TRP A 6 1.265 -0.566 -1.520 1.00 33.40 C ATOM 0 H TRP A 6 0.941 -6.715 -5.502 1.00 31.34 H new ATOM 0 HA TRP A 6 -1.201 -5.088 -4.406 1.00 42.43 H new ATOM 0 HB2 TRP A 6 1.305 -4.592 -6.031 1.00 13.13 H new ATOM 0 HB3 TRP A 6 0.118 -3.327 -5.786 1.00 13.13 H new ATOM 0 HD1 TRP A 6 2.205 -5.738 -3.497 1.00 11.14 H new ATOM 0 HE1 TRP A 6 2.901 -4.432 -1.368 1.00 32.11 H new ATOM 0 HE3 TRP A 6 -0.159 -1.315 -4.515 1.00 62.45 H new ATOM 0 HZ2 TRP A 6 2.469 -1.858 -0.316 1.00 11.21 H new ATOM 0 HZ3 TRP A 6 0.034 0.531 -2.896 1.00 52.12 H new ATOM 0 HH2 TRP A 6 1.336 0.260 -0.827 1.00 33.40 H new ATOM 96 N THR A 7 -2.608 -4.604 -6.436 1.00 75.11 N ATOM 97 CA THR A 7 -3.482 -4.468 -7.591 1.00 12.13 C ATOM 98 C THR A 7 -3.275 -3.117 -8.266 1.00 72.14 C ATOM 99 O THR A 7 -2.571 -2.251 -7.735 1.00 31.23 O ATOM 100 CB THR A 7 -4.966 -4.640 -7.207 1.00 35.34 C ATOM 101 OG1 THR A 7 -5.361 -3.642 -6.256 1.00 14.11 O ATOM 102 CG2 THR A 7 -5.215 -6.024 -6.626 1.00 23.41 C ATOM 0 H THR A 7 -2.965 -4.185 -5.578 1.00 75.11 H new ATOM 0 HA THR A 7 -3.219 -5.262 -8.290 1.00 12.13 H new ATOM 0 HB THR A 7 -5.561 -4.524 -8.113 1.00 35.34 H new ATOM 0 HG1 THR A 7 -6.262 -3.323 -6.472 1.00 14.11 H new ATOM 0 HG21 THR A 7 -6.268 -6.124 -6.362 1.00 23.41 H new ATOM 0 HG22 THR A 7 -4.953 -6.781 -7.365 1.00 23.41 H new ATOM 0 HG23 THR A 7 -4.603 -6.160 -5.734 1.00 23.41 H new ATOM 110 N ALA A 8 -3.889 -2.938 -9.432 1.00 24.02 N ATOM 111 CA ALA A 8 -3.747 -1.704 -10.196 1.00 14.23 C ATOM 112 C ALA A 8 -4.262 -0.506 -9.405 1.00 0.11 C ATOM 113 O ALA A 8 -3.714 0.593 -9.499 1.00 21.12 O ATOM 114 CB ALA A 8 -4.480 -1.820 -11.525 1.00 51.31 C ATOM 0 H ALA A 8 -4.492 -3.635 -9.869 1.00 24.02 H new ATOM 0 HA ALA A 8 -2.687 -1.546 -10.392 1.00 14.23 H new ATOM 0 HB1 ALA A 8 -4.366 -0.892 -12.086 1.00 51.31 H new ATOM 0 HB2 ALA A 8 -4.061 -2.645 -12.101 1.00 51.31 H new ATOM 0 HB3 ALA A 8 -5.538 -2.006 -11.342 1.00 51.31 H new ATOM 120 N GLU A 9 -5.312 -0.730 -8.624 1.00 12.54 N ATOM 121 CA GLU A 9 -5.886 0.321 -7.789 1.00 54.33 C ATOM 122 C GLU A 9 -4.862 0.808 -6.771 1.00 63.21 C ATOM 123 O GLU A 9 -4.579 2.003 -6.680 1.00 55.41 O ATOM 124 CB GLU A 9 -7.132 -0.174 -7.045 1.00 74.34 C ATOM 125 CG GLU A 9 -8.161 -0.880 -7.915 1.00 2.12 C ATOM 126 CD GLU A 9 -7.777 -2.314 -8.212 1.00 64.44 C ATOM 127 OE1 GLU A 9 -7.807 -3.143 -7.281 1.00 22.12 O ATOM 128 OE2 GLU A 9 -7.418 -2.611 -9.368 1.00 41.13 O ATOM 0 H GLU A 9 -5.785 -1.631 -8.551 1.00 12.54 H new ATOM 0 HA GLU A 9 -6.172 1.141 -8.448 1.00 54.33 H new ATOM 0 HB2 GLU A 9 -6.818 -0.855 -6.254 1.00 74.34 H new ATOM 0 HB3 GLU A 9 -7.610 0.678 -6.561 1.00 74.34 H new ATOM 0 HG2 GLU A 9 -9.130 -0.862 -7.415 1.00 2.12 H new ATOM 0 HG3 GLU A 9 -8.276 -0.336 -8.852 1.00 2.12 H new ATOM 135 N ALA A 10 -4.298 -0.135 -6.023 1.00 31.10 N ATOM 136 CA ALA A 10 -3.343 0.183 -4.969 1.00 72.43 C ATOM 137 C ALA A 10 -2.098 0.849 -5.538 1.00 2.45 C ATOM 138 O ALA A 10 -1.636 1.861 -5.016 1.00 24.20 O ATOM 139 CB ALA A 10 -2.977 -1.075 -4.202 1.00 25.43 C ATOM 0 H ALA A 10 -4.488 -1.132 -6.129 1.00 31.10 H new ATOM 0 HA ALA A 10 -3.811 0.889 -4.283 1.00 72.43 H new ATOM 0 HB1 ALA A 10 -2.263 -0.827 -3.417 1.00 25.43 H new ATOM 0 HB2 ALA A 10 -3.874 -1.503 -3.755 1.00 25.43 H new ATOM 0 HB3 ALA A 10 -2.530 -1.799 -4.883 1.00 25.43 H new ATOM 145 N GLU A 11 -1.574 0.285 -6.622 1.00 30.22 N ATOM 146 CA GLU A 11 -0.405 0.844 -7.292 1.00 20.24 C ATOM 147 C GLU A 11 -0.666 2.277 -7.751 1.00 43.14 C ATOM 148 O GLU A 11 0.206 3.139 -7.638 1.00 33.42 O ATOM 149 CB GLU A 11 -0.012 -0.031 -8.482 1.00 21.35 C ATOM 150 CG GLU A 11 1.029 -1.086 -8.143 1.00 10.11 C ATOM 151 CD GLU A 11 2.394 -0.479 -7.880 1.00 52.31 C ATOM 152 OE1 GLU A 11 3.005 0.046 -8.839 1.00 31.24 O ATOM 153 OE2 GLU A 11 2.864 -0.515 -6.728 1.00 60.34 O ATOM 0 H GLU A 11 -1.942 -0.561 -7.056 1.00 30.22 H new ATOM 0 HA GLU A 11 0.419 0.864 -6.578 1.00 20.24 H new ATOM 0 HB2 GLU A 11 -0.903 -0.524 -8.870 1.00 21.35 H new ATOM 0 HB3 GLU A 11 0.373 0.605 -9.279 1.00 21.35 H new ATOM 0 HG2 GLU A 11 0.706 -1.644 -7.264 1.00 10.11 H new ATOM 0 HG3 GLU A 11 1.102 -1.799 -8.964 1.00 10.11 H new ATOM 160 N LYS A 12 -1.874 2.530 -8.244 1.00 50.24 N ATOM 161 CA LYS A 12 -2.245 3.854 -8.727 1.00 71.43 C ATOM 162 C LYS A 12 -2.343 4.841 -7.566 1.00 60.14 C ATOM 163 O LYS A 12 -1.887 5.982 -7.667 1.00 50.21 O ATOM 164 CB LYS A 12 -3.581 3.785 -9.470 1.00 64.33 C ATOM 165 CG LYS A 12 -3.938 5.063 -10.213 1.00 42.12 C ATOM 166 CD LYS A 12 -2.959 5.345 -11.344 1.00 71.11 C ATOM 167 CE LYS A 12 -2.970 4.237 -12.389 1.00 34.22 C ATOM 168 NZ LYS A 12 -4.298 4.101 -13.041 1.00 30.31 N ATOM 0 H LYS A 12 -2.614 1.833 -8.319 1.00 50.24 H new ATOM 0 HA LYS A 12 -1.473 4.202 -9.413 1.00 71.43 H new ATOM 0 HB2 LYS A 12 -3.548 2.960 -10.181 1.00 64.33 H new ATOM 0 HB3 LYS A 12 -4.372 3.558 -8.755 1.00 64.33 H new ATOM 0 HG2 LYS A 12 -4.947 4.980 -10.617 1.00 42.12 H new ATOM 0 HG3 LYS A 12 -3.941 5.901 -9.516 1.00 42.12 H new ATOM 0 HD2 LYS A 12 -3.213 6.294 -11.817 1.00 71.11 H new ATOM 0 HD3 LYS A 12 -1.953 5.451 -10.937 1.00 71.11 H new ATOM 0 HE2 LYS A 12 -2.214 4.445 -13.146 1.00 34.22 H new ATOM 0 HE3 LYS A 12 -2.698 3.292 -11.919 1.00 34.22 H new ATOM 0 HZ1 LYS A 12 -4.217 3.473 -13.866 1.00 30.31 H new ATOM 0 HZ2 LYS A 12 -4.977 3.698 -12.364 1.00 30.31 H new ATOM 0 HZ3 LYS A 12 -4.631 5.037 -13.350 1.00 30.31 H new ATOM 182 N MET A 13 -2.933 4.389 -6.465 1.00 33.34 N ATOM 183 CA MET A 13 -3.071 5.213 -5.267 1.00 4.54 C ATOM 184 C MET A 13 -1.709 5.458 -4.626 1.00 1.03 C ATOM 185 O MET A 13 -1.489 6.479 -3.973 1.00 44.21 O ATOM 186 CB MET A 13 -4.017 4.539 -4.267 1.00 71.44 C ATOM 187 CG MET A 13 -5.452 4.441 -4.763 1.00 33.33 C ATOM 188 SD MET A 13 -6.491 3.388 -3.728 1.00 62.01 S ATOM 189 CE MET A 13 -6.436 4.254 -2.164 1.00 71.44 C ATOM 0 H MET A 13 -3.326 3.452 -6.376 1.00 33.34 H new ATOM 0 HA MET A 13 -3.494 6.175 -5.555 1.00 4.54 H new ATOM 0 HB2 MET A 13 -3.647 3.537 -4.047 1.00 71.44 H new ATOM 0 HB3 MET A 13 -4.001 5.097 -3.331 1.00 71.44 H new ATOM 0 HG2 MET A 13 -5.885 5.441 -4.803 1.00 33.33 H new ATOM 0 HG3 MET A 13 -5.452 4.052 -5.781 1.00 33.33 H new ATOM 0 HE1 MET A 13 -6.031 3.594 -1.397 1.00 71.44 H new ATOM 0 HE2 MET A 13 -5.800 5.135 -2.258 1.00 71.44 H new ATOM 0 HE3 MET A 13 -7.443 4.562 -1.883 1.00 71.44 H new ATOM 199 N LEU A 14 -0.797 4.512 -4.821 1.00 34.40 N ATOM 200 CA LEU A 14 0.573 4.641 -4.340 1.00 22.21 C ATOM 201 C LEU A 14 1.352 5.620 -5.219 1.00 20.31 C ATOM 202 O LEU A 14 2.403 6.129 -4.830 1.00 44.41 O ATOM 203 CB LEU A 14 1.261 3.269 -4.335 1.00 53.32 C ATOM 204 CG LEU A 14 2.695 3.246 -3.804 1.00 24.23 C ATOM 205 CD1 LEU A 14 2.732 3.637 -2.334 1.00 35.31 C ATOM 206 CD2 LEU A 14 3.302 1.868 -4.002 1.00 52.54 C ATOM 0 H LEU A 14 -0.985 3.639 -5.314 1.00 34.40 H new ATOM 0 HA LEU A 14 0.553 5.028 -3.321 1.00 22.21 H new ATOM 0 HB2 LEU A 14 0.661 2.585 -3.736 1.00 53.32 H new ATOM 0 HB3 LEU A 14 1.264 2.881 -5.354 1.00 53.32 H new ATOM 0 HG LEU A 14 3.283 3.973 -4.363 1.00 24.23 H new ATOM 0 HD11 LEU A 14 3.762 3.614 -1.977 1.00 35.31 H new ATOM 0 HD12 LEU A 14 2.329 4.643 -2.215 1.00 35.31 H new ATOM 0 HD13 LEU A 14 2.132 2.935 -1.756 1.00 35.31 H new ATOM 0 HD21 LEU A 14 4.323 1.862 -3.621 1.00 52.54 H new ATOM 0 HD22 LEU A 14 2.709 1.129 -3.464 1.00 52.54 H new ATOM 0 HD23 LEU A 14 3.310 1.623 -5.064 1.00 52.54 H new ATOM 218 N GLY A 15 0.816 5.887 -6.405 1.00 54.24 N ATOM 219 CA GLY A 15 1.450 6.808 -7.333 1.00 15.30 C ATOM 220 C GLY A 15 1.354 8.251 -6.877 1.00 50.40 C ATOM 221 O GLY A 15 1.999 9.134 -7.439 1.00 55.02 O ATOM 0 H GLY A 15 -0.055 5.478 -6.743 1.00 54.24 H new ATOM 0 HA2 GLY A 15 2.499 6.536 -7.449 1.00 15.30 H new ATOM 0 HA3 GLY A 15 0.984 6.709 -8.313 1.00 15.30 H new ATOM 225 N LYS A 16 0.542 8.490 -5.853 1.00 74.33 N ATOM 226 CA LYS A 16 0.413 9.822 -5.274 1.00 74.20 C ATOM 227 C LYS A 16 1.673 10.193 -4.503 1.00 13.12 C ATOM 228 O LYS A 16 1.946 11.368 -4.256 1.00 20.21 O ATOM 229 CB LYS A 16 -0.791 9.888 -4.333 1.00 20.45 C ATOM 230 CG LYS A 16 -2.121 9.582 -5.003 1.00 4.14 C ATOM 231 CD LYS A 16 -3.282 9.729 -4.028 1.00 61.41 C ATOM 232 CE LYS A 16 -3.450 11.172 -3.576 1.00 61.23 C ATOM 233 NZ LYS A 16 -4.587 11.332 -2.633 1.00 42.10 N ATOM 0 H LYS A 16 -0.037 7.778 -5.407 1.00 74.33 H new ATOM 0 HA LYS A 16 0.268 10.529 -6.091 1.00 74.20 H new ATOM 0 HB2 LYS A 16 -0.638 9.184 -3.515 1.00 20.45 H new ATOM 0 HB3 LYS A 16 -0.839 10.884 -3.892 1.00 20.45 H new ATOM 0 HG2 LYS A 16 -2.267 10.254 -5.849 1.00 4.14 H new ATOM 0 HG3 LYS A 16 -2.105 8.567 -5.401 1.00 4.14 H new ATOM 0 HD2 LYS A 16 -4.202 9.385 -4.501 1.00 61.41 H new ATOM 0 HD3 LYS A 16 -3.113 9.092 -3.160 1.00 61.41 H new ATOM 0 HE2 LYS A 16 -2.531 11.511 -3.097 1.00 61.23 H new ATOM 0 HE3 LYS A 16 -3.609 11.808 -4.447 1.00 61.23 H new ATOM 0 HZ1 LYS A 16 -4.730 12.342 -2.430 1.00 42.10 H new ATOM 0 HZ2 LYS A 16 -5.450 10.939 -3.060 1.00 42.10 H new ATOM 0 HZ3 LYS A 16 -4.378 10.827 -1.748 1.00 42.10 H new ATOM 247 N VAL A 17 2.435 9.179 -4.126 1.00 71.11 N ATOM 248 CA VAL A 17 3.634 9.376 -3.335 1.00 23.31 C ATOM 249 C VAL A 17 4.863 9.437 -4.238 1.00 40.42 C ATOM 250 O VAL A 17 5.110 8.516 -5.018 1.00 72.52 O ATOM 251 CB VAL A 17 3.810 8.241 -2.302 1.00 53.24 C ATOM 252 CG1 VAL A 17 5.012 8.499 -1.408 1.00 50.41 C ATOM 253 CG2 VAL A 17 2.549 8.071 -1.466 1.00 61.00 C ATOM 0 H VAL A 17 2.240 8.205 -4.358 1.00 71.11 H new ATOM 0 HA VAL A 17 3.529 10.321 -2.802 1.00 23.31 H new ATOM 0 HB VAL A 17 3.987 7.315 -2.849 1.00 53.24 H new ATOM 0 HG11 VAL A 17 5.113 7.685 -0.690 1.00 50.41 H new ATOM 0 HG12 VAL A 17 5.913 8.558 -2.018 1.00 50.41 H new ATOM 0 HG13 VAL A 17 4.873 9.439 -0.874 1.00 50.41 H new ATOM 0 HG21 VAL A 17 2.696 7.266 -0.745 1.00 61.00 H new ATOM 0 HG22 VAL A 17 2.336 8.999 -0.935 1.00 61.00 H new ATOM 0 HG23 VAL A 17 1.711 7.826 -2.118 1.00 61.00 H new ATOM 263 N PRO A 18 5.643 10.534 -4.154 1.00 25.32 N ATOM 264 CA PRO A 18 6.870 10.700 -4.943 1.00 22.34 C ATOM 265 C PRO A 18 7.816 9.525 -4.772 1.00 53.41 C ATOM 266 O PRO A 18 8.030 9.043 -3.660 1.00 75.41 O ATOM 267 CB PRO A 18 7.493 11.979 -4.382 1.00 24.13 C ATOM 268 CG PRO A 18 6.353 12.732 -3.790 1.00 43.44 C ATOM 269 CD PRO A 18 5.380 11.700 -3.291 1.00 62.12 C ATOM 0 HA PRO A 18 6.665 10.753 -6.012 1.00 22.34 H new ATOM 0 HB2 PRO A 18 8.250 11.753 -3.631 1.00 24.13 H new ATOM 0 HB3 PRO A 18 7.984 12.556 -5.166 1.00 24.13 H new ATOM 0 HG2 PRO A 18 6.691 13.373 -2.976 1.00 43.44 H new ATOM 0 HG3 PRO A 18 5.887 13.379 -4.533 1.00 43.44 H new ATOM 0 HD2 PRO A 18 5.546 11.467 -2.239 1.00 62.12 H new ATOM 0 HD3 PRO A 18 4.349 12.043 -3.382 1.00 62.12 H new ATOM 277 N PHE A 19 8.401 9.104 -5.884 1.00 74.24 N ATOM 278 CA PHE A 19 9.153 7.855 -5.962 1.00 44.24 C ATOM 279 C PHE A 19 10.245 7.748 -4.895 1.00 13.40 C ATOM 280 O PHE A 19 10.553 6.649 -4.433 1.00 50.12 O ATOM 281 CB PHE A 19 9.773 7.717 -7.348 1.00 53.33 C ATOM 282 CG PHE A 19 10.092 6.301 -7.713 1.00 72.31 C ATOM 283 CD1 PHE A 19 9.081 5.443 -8.104 1.00 75.43 C ATOM 284 CD2 PHE A 19 11.392 5.829 -7.667 1.00 31.41 C ATOM 285 CE1 PHE A 19 9.359 4.134 -8.444 1.00 2.13 C ATOM 286 CE2 PHE A 19 11.678 4.521 -8.005 1.00 0.14 C ATOM 287 CZ PHE A 19 10.661 3.672 -8.393 1.00 10.24 C ATOM 0 H PHE A 19 8.369 9.620 -6.763 1.00 74.24 H new ATOM 0 HA PHE A 19 8.448 7.045 -5.777 1.00 44.24 H new ATOM 0 HB2 PHE A 19 9.088 8.131 -8.088 1.00 53.33 H new ATOM 0 HB3 PHE A 19 10.686 8.311 -7.391 1.00 53.33 H new ATOM 0 HD1 PHE A 19 8.063 5.801 -8.144 1.00 75.43 H new ATOM 0 HD2 PHE A 19 12.191 6.490 -7.364 1.00 31.41 H new ATOM 0 HE1 PHE A 19 8.561 3.473 -8.749 1.00 2.13 H new ATOM 0 HE2 PHE A 19 12.696 4.163 -7.966 1.00 0.14 H new ATOM 0 HZ PHE A 19 10.882 2.648 -8.656 1.00 10.24 H new ATOM 297 N PHE A 20 10.812 8.884 -4.503 1.00 33.11 N ATOM 298 CA PHE A 20 11.895 8.912 -3.521 1.00 44.13 C ATOM 299 C PHE A 20 11.463 8.272 -2.204 1.00 70.12 C ATOM 300 O PHE A 20 12.245 7.587 -1.543 1.00 43.42 O ATOM 301 CB PHE A 20 12.339 10.353 -3.262 1.00 50.34 C ATOM 302 CG PHE A 20 12.637 11.128 -4.512 1.00 13.22 C ATOM 303 CD1 PHE A 20 13.800 10.898 -5.228 1.00 13.41 C ATOM 304 CD2 PHE A 20 11.747 12.082 -4.971 1.00 24.41 C ATOM 305 CE1 PHE A 20 14.069 11.612 -6.380 1.00 2.44 C ATOM 306 CE2 PHE A 20 12.011 12.800 -6.122 1.00 73.15 C ATOM 307 CZ PHE A 20 13.173 12.564 -6.828 1.00 3.22 C ATOM 0 H PHE A 20 10.539 9.803 -4.851 1.00 33.11 H new ATOM 0 HA PHE A 20 12.728 8.340 -3.930 1.00 44.13 H new ATOM 0 HB2 PHE A 20 11.558 10.869 -2.703 1.00 50.34 H new ATOM 0 HB3 PHE A 20 13.228 10.342 -2.632 1.00 50.34 H new ATOM 0 HD1 PHE A 20 14.503 10.154 -4.883 1.00 13.41 H new ATOM 0 HD2 PHE A 20 10.835 12.268 -4.423 1.00 24.41 H new ATOM 0 HE1 PHE A 20 14.979 11.426 -6.930 1.00 2.44 H new ATOM 0 HE2 PHE A 20 11.309 13.544 -6.468 1.00 73.15 H new ATOM 0 HZ PHE A 20 13.382 13.122 -7.729 1.00 3.22 H new ATOM 317 N VAL A 21 10.211 8.499 -1.829 1.00 74.43 N ATOM 318 CA VAL A 21 9.689 7.965 -0.581 1.00 12.12 C ATOM 319 C VAL A 21 8.558 6.976 -0.846 1.00 71.31 C ATOM 320 O VAL A 21 7.995 6.401 0.083 1.00 3.01 O ATOM 321 CB VAL A 21 9.188 9.094 0.346 1.00 42.42 C ATOM 322 CG1 VAL A 21 10.331 10.024 0.712 1.00 23.44 C ATOM 323 CG2 VAL A 21 8.062 9.880 -0.308 1.00 73.14 C ATOM 0 H VAL A 21 9.542 9.047 -2.369 1.00 74.43 H new ATOM 0 HA VAL A 21 10.506 7.445 -0.082 1.00 12.12 H new ATOM 0 HB VAL A 21 8.800 8.635 1.255 1.00 42.42 H new ATOM 0 HG11 VAL A 21 9.962 10.814 1.366 1.00 23.44 H new ATOM 0 HG12 VAL A 21 11.108 9.460 1.228 1.00 23.44 H new ATOM 0 HG13 VAL A 21 10.745 10.466 -0.194 1.00 23.44 H new ATOM 0 HG21 VAL A 21 7.729 10.668 0.367 1.00 73.14 H new ATOM 0 HG22 VAL A 21 8.420 10.325 -1.236 1.00 73.14 H new ATOM 0 HG23 VAL A 21 7.229 9.211 -0.524 1.00 73.14 H new ATOM 333 N ARG A 22 8.242 6.778 -2.120 1.00 35.11 N ATOM 334 CA ARG A 22 7.180 5.866 -2.525 1.00 41.24 C ATOM 335 C ARG A 22 7.519 4.440 -2.114 1.00 43.44 C ATOM 336 O ARG A 22 6.693 3.736 -1.534 1.00 3.31 O ATOM 337 CB ARG A 22 6.968 5.934 -4.039 1.00 25.34 C ATOM 338 CG ARG A 22 5.781 5.122 -4.529 1.00 54.24 C ATOM 339 CD ARG A 22 5.719 5.083 -6.047 1.00 70.31 C ATOM 340 NE ARG A 22 4.538 4.368 -6.525 1.00 31.13 N ATOM 341 CZ ARG A 22 4.577 3.193 -7.159 1.00 34.44 C ATOM 342 NH1 ARG A 22 5.745 2.610 -7.413 1.00 51.52 N ATOM 343 NH2 ARG A 22 3.448 2.606 -7.550 1.00 72.41 N ATOM 0 H ARG A 22 8.712 7.242 -2.897 1.00 35.11 H new ATOM 0 HA ARG A 22 6.260 6.168 -2.025 1.00 41.24 H new ATOM 0 HB2 ARG A 22 6.829 6.975 -4.331 1.00 25.34 H new ATOM 0 HB3 ARG A 22 7.870 5.580 -4.539 1.00 25.34 H new ATOM 0 HG2 ARG A 22 5.849 4.106 -4.141 1.00 54.24 H new ATOM 0 HG3 ARG A 22 4.859 5.552 -4.137 1.00 54.24 H new ATOM 0 HD2 ARG A 22 5.710 6.101 -6.436 1.00 70.31 H new ATOM 0 HD3 ARG A 22 6.617 4.602 -6.435 1.00 70.31 H new ATOM 0 HE ARG A 22 3.625 4.793 -6.364 1.00 31.13 H new ATOM 0 HH11 ARG A 22 6.613 3.060 -7.124 1.00 51.52 H new ATOM 0 HH12 ARG A 22 5.772 1.713 -7.897 1.00 51.52 H new ATOM 0 HH21 ARG A 22 2.550 3.054 -7.366 1.00 72.41 H new ATOM 0 HH22 ARG A 22 3.481 1.709 -8.034 1.00 72.41 H new ATOM 357 N LYS A 23 8.744 4.027 -2.415 1.00 14.13 N ATOM 358 CA LYS A 23 9.226 2.702 -2.046 1.00 32.44 C ATOM 359 C LYS A 23 9.259 2.545 -0.531 1.00 24.31 C ATOM 360 O LYS A 23 9.028 1.454 -0.001 1.00 41.21 O ATOM 361 CB LYS A 23 10.610 2.459 -2.650 1.00 4.34 C ATOM 362 CG LYS A 23 11.624 3.552 -2.343 1.00 41.23 C ATOM 363 CD LYS A 23 12.874 3.409 -3.196 1.00 53.34 C ATOM 364 CE LYS A 23 13.587 2.092 -2.937 1.00 21.24 C ATOM 365 NZ LYS A 23 14.721 1.881 -3.874 1.00 32.23 N ATOM 0 H LYS A 23 9.426 4.595 -2.917 1.00 14.13 H new ATOM 0 HA LYS A 23 8.539 1.956 -2.445 1.00 32.44 H new ATOM 0 HB2 LYS A 23 10.994 1.508 -2.280 1.00 4.34 H new ATOM 0 HB3 LYS A 23 10.511 2.364 -3.731 1.00 4.34 H new ATOM 0 HG2 LYS A 23 11.172 4.528 -2.519 1.00 41.23 H new ATOM 0 HG3 LYS A 23 11.896 3.512 -1.288 1.00 41.23 H new ATOM 0 HD2 LYS A 23 12.604 3.475 -4.250 1.00 53.34 H new ATOM 0 HD3 LYS A 23 13.552 4.236 -2.988 1.00 53.34 H new ATOM 0 HE2 LYS A 23 13.956 2.075 -1.911 1.00 21.24 H new ATOM 0 HE3 LYS A 23 12.878 1.270 -3.035 1.00 21.24 H new ATOM 0 HZ1 LYS A 23 15.180 0.972 -3.664 1.00 32.23 H new ATOM 0 HZ2 LYS A 23 14.366 1.872 -4.852 1.00 32.23 H new ATOM 0 HZ3 LYS A 23 15.411 2.651 -3.763 1.00 32.23 H new ATOM 379 N LYS A 24 9.524 3.648 0.157 1.00 72.43 N ATOM 380 CA LYS A 24 9.508 3.665 1.610 1.00 72.44 C ATOM 381 C LYS A 24 8.098 3.383 2.112 1.00 33.12 C ATOM 382 O LYS A 24 7.884 2.493 2.939 1.00 53.42 O ATOM 383 CB LYS A 24 9.984 5.026 2.131 1.00 75.53 C ATOM 384 CG LYS A 24 10.102 5.096 3.644 1.00 24.41 C ATOM 385 CD LYS A 24 10.431 6.503 4.111 1.00 75.54 C ATOM 386 CE LYS A 24 10.812 6.523 5.579 1.00 40.40 C ATOM 387 NZ LYS A 24 12.052 5.743 5.830 1.00 15.52 N ATOM 0 H LYS A 24 9.753 4.545 -0.272 1.00 72.43 H new ATOM 0 HA LYS A 24 10.183 2.893 1.979 1.00 72.44 H new ATOM 0 HB2 LYS A 24 10.954 5.255 1.689 1.00 75.53 H new ATOM 0 HB3 LYS A 24 9.291 5.796 1.794 1.00 75.53 H new ATOM 0 HG2 LYS A 24 9.167 4.770 4.099 1.00 24.41 H new ATOM 0 HG3 LYS A 24 10.877 4.408 3.982 1.00 24.41 H new ATOM 0 HD2 LYS A 24 11.251 6.904 3.515 1.00 75.54 H new ATOM 0 HD3 LYS A 24 9.571 7.153 3.948 1.00 75.54 H new ATOM 0 HE2 LYS A 24 10.957 7.553 5.905 1.00 40.40 H new ATOM 0 HE3 LYS A 24 9.996 6.112 6.174 1.00 40.40 H new ATOM 0 HZ1 LYS A 24 12.499 6.075 6.708 1.00 15.52 H new ATOM 0 HZ2 LYS A 24 11.815 4.734 5.922 1.00 15.52 H new ATOM 0 HZ3 LYS A 24 12.711 5.873 5.036 1.00 15.52 H new ATOM 401 N VAL A 25 7.141 4.139 1.589 1.00 1.11 N ATOM 402 CA VAL A 25 5.743 3.977 1.959 1.00 43.21 C ATOM 403 C VAL A 25 5.232 2.597 1.565 1.00 72.24 C ATOM 404 O VAL A 25 4.570 1.933 2.357 1.00 13.13 O ATOM 405 CB VAL A 25 4.850 5.061 1.310 1.00 1.13 C ATOM 406 CG1 VAL A 25 3.386 4.847 1.671 1.00 25.03 C ATOM 407 CG2 VAL A 25 5.304 6.447 1.736 1.00 42.04 C ATOM 0 H VAL A 25 7.310 4.875 0.903 1.00 1.11 H new ATOM 0 HA VAL A 25 5.687 4.086 3.042 1.00 43.21 H new ATOM 0 HB VAL A 25 4.949 4.979 0.228 1.00 1.13 H new ATOM 0 HG11 VAL A 25 2.779 5.622 1.203 1.00 25.03 H new ATOM 0 HG12 VAL A 25 3.063 3.868 1.316 1.00 25.03 H new ATOM 0 HG13 VAL A 25 3.267 4.897 2.753 1.00 25.03 H new ATOM 0 HG21 VAL A 25 4.666 7.198 1.271 1.00 42.04 H new ATOM 0 HG22 VAL A 25 5.236 6.535 2.820 1.00 42.04 H new ATOM 0 HG23 VAL A 25 6.336 6.604 1.423 1.00 42.04 H new ATOM 417 N ARG A 26 5.568 2.159 0.351 1.00 24.13 N ATOM 418 CA ARG A 26 5.106 0.869 -0.149 1.00 34.43 C ATOM 419 C ARG A 26 5.522 -0.256 0.785 1.00 4.53 C ATOM 420 O ARG A 26 4.710 -1.110 1.129 1.00 10.30 O ATOM 421 CB ARG A 26 5.641 0.569 -1.548 1.00 33.15 C ATOM 422 CG ARG A 26 4.990 -0.667 -2.143 1.00 14.34 C ATOM 423 CD ARG A 26 5.951 -1.506 -2.958 1.00 43.55 C ATOM 424 NE ARG A 26 5.694 -2.924 -2.735 1.00 2.15 N ATOM 425 CZ ARG A 26 5.457 -3.814 -3.695 1.00 5.14 C ATOM 426 NH1 ARG A 26 5.448 -3.445 -4.974 1.00 64.33 N ATOM 427 NH2 ARG A 26 5.190 -5.071 -3.361 1.00 31.42 N ATOM 0 H ARG A 26 6.156 2.678 -0.300 1.00 24.13 H new ATOM 0 HA ARG A 26 4.019 0.929 -0.197 1.00 34.43 H new ATOM 0 HB2 ARG A 26 5.460 1.425 -2.198 1.00 33.15 H new ATOM 0 HB3 ARG A 26 6.721 0.426 -1.502 1.00 33.15 H new ATOM 0 HG2 ARG A 26 4.576 -1.276 -1.339 1.00 14.34 H new ATOM 0 HG3 ARG A 26 4.155 -0.363 -2.775 1.00 14.34 H new ATOM 0 HD2 ARG A 26 5.843 -1.271 -4.017 1.00 43.55 H new ATOM 0 HD3 ARG A 26 6.978 -1.267 -2.682 1.00 43.55 H new ATOM 0 HE ARG A 26 5.696 -3.258 -1.771 1.00 2.15 H new ATOM 0 HH11 ARG A 26 5.624 -2.472 -5.225 1.00 64.33 H new ATOM 0 HH12 ARG A 26 5.265 -4.135 -5.703 1.00 64.33 H new ATOM 0 HH21 ARG A 26 5.168 -5.344 -2.378 1.00 31.42 H new ATOM 0 HH22 ARG A 26 5.006 -5.764 -4.087 1.00 31.42 H new ATOM 441 N LYS A 27 6.782 -0.244 1.198 1.00 4.05 N ATOM 442 CA LYS A 27 7.305 -1.282 2.074 1.00 24.13 C ATOM 443 C LYS A 27 6.574 -1.262 3.416 1.00 64.53 C ATOM 444 O LYS A 27 6.400 -2.298 4.059 1.00 75.52 O ATOM 445 CB LYS A 27 8.814 -1.102 2.269 1.00 1.14 C ATOM 446 CG LYS A 27 9.501 -2.318 2.866 1.00 44.10 C ATOM 447 CD LYS A 27 11.010 -2.230 2.722 1.00 13.04 C ATOM 448 CE LYS A 27 11.677 -3.533 3.130 1.00 50.03 C ATOM 449 NZ LYS A 27 13.128 -3.542 2.812 1.00 55.01 N ATOM 0 H LYS A 27 7.460 0.473 0.940 1.00 4.05 H new ATOM 0 HA LYS A 27 7.135 -2.253 1.609 1.00 24.13 H new ATOM 0 HB2 LYS A 27 9.271 -0.873 1.306 1.00 1.14 H new ATOM 0 HB3 LYS A 27 8.988 -0.243 2.917 1.00 1.14 H new ATOM 0 HG2 LYS A 27 9.239 -2.404 3.921 1.00 44.10 H new ATOM 0 HG3 LYS A 27 9.139 -3.220 2.373 1.00 44.10 H new ATOM 0 HD2 LYS A 27 11.266 -1.995 1.689 1.00 13.04 H new ATOM 0 HD3 LYS A 27 11.390 -1.415 3.338 1.00 13.04 H new ATOM 0 HE2 LYS A 27 11.540 -3.690 4.200 1.00 50.03 H new ATOM 0 HE3 LYS A 27 11.190 -4.364 2.621 1.00 50.03 H new ATOM 0 HZ1 LYS A 27 13.542 -4.449 3.107 1.00 55.01 H new ATOM 0 HZ2 LYS A 27 13.260 -3.418 1.788 1.00 55.01 H new ATOM 0 HZ3 LYS A 27 13.599 -2.765 3.318 1.00 55.01 H new ATOM 463 N ASN A 28 6.138 -0.078 3.829 1.00 32.42 N ATOM 464 CA ASN A 28 5.333 0.050 5.038 1.00 53.32 C ATOM 465 C ASN A 28 3.959 -0.582 4.837 1.00 62.51 C ATOM 466 O ASN A 28 3.428 -1.227 5.743 1.00 72.31 O ATOM 467 CB ASN A 28 5.183 1.516 5.459 1.00 41.54 C ATOM 468 CG ASN A 28 6.361 2.018 6.274 1.00 23.20 C ATOM 469 OD1 ASN A 28 6.385 1.881 7.496 1.00 24.11 O ATOM 470 ND2 ASN A 28 7.342 2.605 5.611 1.00 1.01 N ATOM 0 H ASN A 28 6.327 0.802 3.349 1.00 32.42 H new ATOM 0 HA ASN A 28 5.853 -0.479 5.837 1.00 53.32 H new ATOM 0 HB2 ASN A 28 5.073 2.135 4.569 1.00 41.54 H new ATOM 0 HB3 ASN A 28 4.269 1.630 6.042 1.00 41.54 H new ATOM 0 HD21 ASN A 28 8.155 2.963 6.113 1.00 1.01 H new ATOM 0 HD22 ASN A 28 7.287 2.700 4.597 1.00 1.01 H new ATOM 477 N THR A 29 3.384 -0.401 3.651 1.00 4.40 N ATOM 478 CA THR A 29 2.108 -1.027 3.322 1.00 71.24 C ATOM 479 C THR A 29 2.249 -2.537 3.167 1.00 52.34 C ATOM 480 O THR A 29 1.357 -3.284 3.565 1.00 31.32 O ATOM 481 CB THR A 29 1.508 -0.458 2.033 1.00 50.45 C ATOM 482 OG1 THR A 29 2.466 0.374 1.377 1.00 73.25 O ATOM 483 CG2 THR A 29 0.242 0.331 2.313 1.00 4.25 C ATOM 0 H THR A 29 3.780 0.171 2.905 1.00 4.40 H new ATOM 0 HA THR A 29 1.440 -0.807 4.155 1.00 71.24 H new ATOM 0 HB THR A 29 1.247 -1.294 1.384 1.00 50.45 H new ATOM 0 HG1 THR A 29 2.001 1.077 0.877 1.00 73.25 H new ATOM 0 HG21 THR A 29 -0.158 0.721 1.377 1.00 4.25 H new ATOM 0 HG22 THR A 29 -0.497 -0.320 2.780 1.00 4.25 H new ATOM 0 HG23 THR A 29 0.470 1.160 2.983 1.00 4.25 H new ATOM 491 N ASP A 30 3.362 -2.983 2.580 1.00 10.33 N ATOM 492 CA ASP A 30 3.654 -4.414 2.486 1.00 63.52 C ATOM 493 C ASP A 30 3.623 -5.021 3.883 1.00 13.53 C ATOM 494 O ASP A 30 3.033 -6.074 4.110 1.00 2.12 O ATOM 495 CB ASP A 30 5.022 -4.680 1.835 1.00 31.55 C ATOM 496 CG ASP A 30 5.061 -4.407 0.335 1.00 63.22 C ATOM 497 OD1 ASP A 30 4.337 -5.084 -0.428 1.00 35.44 O ATOM 498 OD2 ASP A 30 5.842 -3.529 -0.091 1.00 60.30 O ATOM 0 H ASP A 30 4.071 -2.378 2.165 1.00 10.33 H new ATOM 0 HA ASP A 30 2.895 -4.875 1.854 1.00 63.52 H new ATOM 0 HB2 ASP A 30 5.773 -4.061 2.326 1.00 31.55 H new ATOM 0 HB3 ASP A 30 5.301 -5.719 2.012 1.00 31.55 H new ATOM 503 N ASN A 31 4.237 -4.323 4.831 1.00 24.15 N ATOM 504 CA ASN A 31 4.226 -4.754 6.224 1.00 74.04 C ATOM 505 C ASN A 31 2.834 -4.620 6.831 1.00 41.23 C ATOM 506 O ASN A 31 2.443 -5.423 7.678 1.00 15.01 O ATOM 507 CB ASN A 31 5.241 -3.958 7.048 1.00 0.52 C ATOM 508 CG ASN A 31 6.644 -4.523 6.932 1.00 42.14 C ATOM 509 OD1 ASN A 31 7.047 -5.374 7.722 1.00 2.13 O ATOM 510 ND2 ASN A 31 7.402 -4.056 5.951 1.00 43.22 N ATOM 0 H ASN A 31 4.748 -3.457 4.661 1.00 24.15 H new ATOM 0 HA ASN A 31 4.508 -5.807 6.246 1.00 74.04 H new ATOM 0 HB2 ASN A 31 5.241 -2.920 6.716 1.00 0.52 H new ATOM 0 HB3 ASN A 31 4.937 -3.958 8.095 1.00 0.52 H new ATOM 0 HD21 ASN A 31 8.354 -4.403 5.833 1.00 43.22 H new ATOM 0 HD22 ASN A 31 7.034 -3.350 5.314 1.00 43.22 H new ATOM 517 N TYR A 32 2.076 -3.622 6.381 1.00 60.32 N ATOM 518 CA TYR A 32 0.729 -3.399 6.896 1.00 63.34 C ATOM 519 C TYR A 32 -0.194 -4.524 6.453 1.00 4.10 C ATOM 520 O TYR A 32 -1.021 -5.011 7.226 1.00 0.41 O ATOM 521 CB TYR A 32 0.181 -2.048 6.422 1.00 64.23 C ATOM 522 CG TYR A 32 -1.228 -1.765 6.896 1.00 33.44 C ATOM 523 CD1 TYR A 32 -1.477 -1.409 8.214 1.00 74.13 C ATOM 524 CD2 TYR A 32 -2.307 -1.852 6.023 1.00 61.04 C ATOM 525 CE1 TYR A 32 -2.761 -1.147 8.649 1.00 22.33 C ATOM 526 CE2 TYR A 32 -3.595 -1.590 6.452 1.00 71.21 C ATOM 527 CZ TYR A 32 -3.814 -1.239 7.767 1.00 42.35 C ATOM 528 OH TYR A 32 -5.091 -0.974 8.201 1.00 73.42 O ATOM 0 H TYR A 32 2.371 -2.959 5.664 1.00 60.32 H new ATOM 0 HA TYR A 32 0.776 -3.386 7.985 1.00 63.34 H new ATOM 0 HB2 TYR A 32 0.840 -1.254 6.774 1.00 64.23 H new ATOM 0 HB3 TYR A 32 0.201 -2.019 5.333 1.00 64.23 H new ATOM 0 HD1 TYR A 32 -0.654 -1.336 8.910 1.00 74.13 H new ATOM 0 HD2 TYR A 32 -2.136 -2.129 4.993 1.00 61.04 H new ATOM 0 HE1 TYR A 32 -2.939 -0.871 9.678 1.00 22.33 H new ATOM 0 HE2 TYR A 32 -4.423 -1.660 5.762 1.00 71.21 H new ATOM 0 HH TYR A 32 -5.060 -0.317 8.928 1.00 73.42 H new ATOM 538 N ALA A 33 -0.039 -4.936 5.206 1.00 24.50 N ATOM 539 CA ALA A 33 -0.815 -6.032 4.658 1.00 71.32 C ATOM 540 C ALA A 33 -0.549 -7.316 5.433 1.00 53.34 C ATOM 541 O ALA A 33 -1.477 -8.033 5.799 1.00 53.12 O ATOM 542 CB ALA A 33 -0.498 -6.213 3.185 1.00 4.31 C ATOM 0 H ALA A 33 0.624 -4.523 4.550 1.00 24.50 H new ATOM 0 HA ALA A 33 -1.874 -5.794 4.755 1.00 71.32 H new ATOM 0 HB1 ALA A 33 -1.087 -7.039 2.785 1.00 4.31 H new ATOM 0 HB2 ALA A 33 -0.742 -5.298 2.645 1.00 4.31 H new ATOM 0 HB3 ALA A 33 0.563 -6.432 3.065 1.00 4.31 H new ATOM 548 N ARG A 34 0.724 -7.585 5.703 1.00 51.21 N ATOM 549 CA ARG A 34 1.114 -8.747 6.497 1.00 62.42 C ATOM 550 C ARG A 34 0.541 -8.637 7.900 1.00 44.44 C ATOM 551 O ARG A 34 0.089 -9.622 8.483 1.00 22.42 O ATOM 552 CB ARG A 34 2.636 -8.849 6.580 1.00 73.42 C ATOM 553 CG ARG A 34 3.307 -8.880 5.225 1.00 71.24 C ATOM 554 CD ARG A 34 4.820 -8.810 5.341 1.00 32.23 C ATOM 555 NE ARG A 34 5.392 -10.026 5.916 1.00 34.42 N ATOM 556 CZ ARG A 34 6.699 -10.275 5.967 1.00 32.41 C ATOM 557 NH1 ARG A 34 7.567 -9.362 5.539 1.00 24.34 N ATOM 558 NH2 ARG A 34 7.139 -11.429 6.449 1.00 74.11 N ATOM 0 H ARG A 34 1.506 -7.013 5.383 1.00 51.21 H new ATOM 0 HA ARG A 34 0.721 -9.641 6.013 1.00 62.42 H new ATOM 0 HB2 ARG A 34 3.020 -8.002 7.149 1.00 73.42 H new ATOM 0 HB3 ARG A 34 2.904 -9.751 7.131 1.00 73.42 H new ATOM 0 HG2 ARG A 34 3.025 -9.793 4.701 1.00 71.24 H new ATOM 0 HG3 ARG A 34 2.950 -8.044 4.624 1.00 71.24 H new ATOM 0 HD2 ARG A 34 5.250 -8.641 4.354 1.00 32.23 H new ATOM 0 HD3 ARG A 34 5.095 -7.955 5.959 1.00 32.23 H new ATOM 0 HE ARG A 34 4.754 -10.723 6.300 1.00 34.42 H new ATOM 0 HH11 ARG A 34 7.231 -8.472 5.172 1.00 24.34 H new ATOM 0 HH12 ARG A 34 8.568 -9.552 5.578 1.00 24.34 H new ATOM 0 HH21 ARG A 34 6.476 -12.129 6.782 1.00 74.11 H new ATOM 0 HH22 ARG A 34 8.141 -11.617 6.487 1.00 74.11 H new ATOM 572 N GLU A 35 0.557 -7.417 8.421 1.00 61.25 N ATOM 573 CA GLU A 35 0.075 -7.141 9.759 1.00 42.14 C ATOM 574 C GLU A 35 -1.397 -7.541 9.897 1.00 32.52 C ATOM 575 O GLU A 35 -1.781 -8.217 10.850 1.00 13.23 O ATOM 576 CB GLU A 35 0.248 -5.650 10.071 1.00 11.44 C ATOM 577 CG GLU A 35 0.021 -5.282 11.528 1.00 44.30 C ATOM 578 CD GLU A 35 1.127 -5.783 12.431 1.00 53.21 C ATOM 579 OE1 GLU A 35 2.244 -5.224 12.377 1.00 23.44 O ATOM 580 OE2 GLU A 35 0.885 -6.733 13.205 1.00 22.12 O ATOM 0 H GLU A 35 0.904 -6.596 7.926 1.00 61.25 H new ATOM 0 HA GLU A 35 0.656 -7.728 10.470 1.00 42.14 H new ATOM 0 HB2 GLU A 35 1.255 -5.346 9.785 1.00 11.44 H new ATOM 0 HB3 GLU A 35 -0.445 -5.079 9.453 1.00 11.44 H new ATOM 0 HG2 GLU A 35 -0.055 -4.198 11.618 1.00 44.30 H new ATOM 0 HG3 GLU A 35 -0.931 -5.697 11.860 1.00 44.30 H new ATOM 587 N ILE A 36 -2.210 -7.138 8.927 1.00 11.13 N ATOM 588 CA ILE A 36 -3.643 -7.421 8.960 1.00 33.11 C ATOM 589 C ILE A 36 -3.963 -8.794 8.366 1.00 34.22 C ATOM 590 O ILE A 36 -5.092 -9.278 8.477 1.00 3.13 O ATOM 591 CB ILE A 36 -4.449 -6.332 8.216 1.00 41.11 C ATOM 592 CG1 ILE A 36 -3.964 -6.192 6.770 1.00 23.21 C ATOM 593 CG2 ILE A 36 -4.342 -5.003 8.952 1.00 3.52 C ATOM 594 CD1 ILE A 36 -4.690 -5.122 5.980 1.00 53.10 C ATOM 0 H ILE A 36 -1.903 -6.614 8.107 1.00 11.13 H new ATOM 0 HA ILE A 36 -3.937 -7.422 10.010 1.00 33.11 H new ATOM 0 HB ILE A 36 -5.497 -6.631 8.192 1.00 41.11 H new ATOM 0 HG12 ILE A 36 -2.898 -5.966 6.775 1.00 23.21 H new ATOM 0 HG13 ILE A 36 -4.084 -7.149 6.262 1.00 23.21 H new ATOM 0 HG21 ILE A 36 -4.914 -4.244 8.418 1.00 3.52 H new ATOM 0 HG22 ILE A 36 -4.739 -5.113 9.961 1.00 3.52 H new ATOM 0 HG23 ILE A 36 -3.296 -4.699 9.004 1.00 3.52 H new ATOM 0 HD11 ILE A 36 -4.290 -5.084 4.967 1.00 53.10 H new ATOM 0 HD12 ILE A 36 -5.754 -5.357 5.942 1.00 53.10 H new ATOM 0 HD13 ILE A 36 -4.549 -4.155 6.462 1.00 53.10 H new ATOM 606 N GLY A 37 -2.970 -9.413 7.734 1.00 50.43 N ATOM 607 CA GLY A 37 -3.143 -10.756 7.206 1.00 41.50 C ATOM 608 C GLY A 37 -3.699 -10.769 5.793 1.00 1.42 C ATOM 609 O GLY A 37 -4.379 -11.717 5.397 1.00 3.14 O ATOM 0 H GLY A 37 -2.047 -9.008 7.578 1.00 50.43 H new ATOM 0 HA2 GLY A 37 -2.183 -11.272 7.218 1.00 41.50 H new ATOM 0 HA3 GLY A 37 -3.813 -11.314 7.860 1.00 41.50 H new ATOM 613 N GLU A 38 -3.407 -9.724 5.030 1.00 0.00 N ATOM 614 CA GLU A 38 -3.889 -9.610 3.658 1.00 3.22 C ATOM 615 C GLU A 38 -2.737 -9.754 2.665 1.00 43.54 C ATOM 616 O GLU A 38 -1.905 -8.861 2.542 1.00 31.31 O ATOM 617 CB GLU A 38 -4.588 -8.264 3.447 1.00 41.15 C ATOM 618 CG GLU A 38 -5.864 -8.098 4.256 1.00 0.00 C ATOM 619 CD GLU A 38 -6.920 -9.117 3.891 1.00 12.42 C ATOM 620 OE1 GLU A 38 -7.407 -9.087 2.745 1.00 33.10 O ATOM 621 OE2 GLU A 38 -7.274 -9.948 4.753 1.00 3.33 O ATOM 0 H GLU A 38 -2.835 -8.938 5.340 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.604 -10.414 3.484 1.00 3.22 H new ATOM 0 HB2 GLU A 38 -3.897 -7.462 3.708 1.00 41.15 H new ATOM 0 HB3 GLU A 38 -4.823 -8.150 2.389 1.00 41.15 H new ATOM 0 HG2 GLU A 38 -5.631 -8.186 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.262 -7.095 4.099 1.00 0.00 H new ATOM 628 N PRO A 39 -2.667 -10.887 1.951 1.00 4.00 N ATOM 629 CA PRO A 39 -1.634 -11.126 0.938 1.00 13.10 C ATOM 630 C PRO A 39 -1.825 -10.252 -0.300 1.00 63.13 C ATOM 631 O PRO A 39 -0.893 -10.040 -1.075 1.00 70.50 O ATOM 632 CB PRO A 39 -1.804 -12.613 0.577 1.00 73.21 C ATOM 633 CG PRO A 39 -2.710 -13.180 1.621 1.00 55.41 C ATOM 634 CD PRO A 39 -3.564 -12.038 2.092 1.00 13.21 C ATOM 0 HA PRO A 39 -0.640 -10.882 1.313 1.00 13.10 H new ATOM 0 HB2 PRO A 39 -2.233 -12.728 -0.418 1.00 73.21 H new ATOM 0 HB3 PRO A 39 -0.843 -13.127 0.571 1.00 73.21 H new ATOM 0 HG2 PRO A 39 -3.323 -13.983 1.211 1.00 55.41 H new ATOM 0 HG3 PRO A 39 -2.138 -13.605 2.445 1.00 55.41 H new ATOM 0 HD2 PRO A 39 -4.463 -11.928 1.486 1.00 13.21 H new ATOM 0 HD3 PRO A 39 -3.890 -12.174 3.123 1.00 13.21 H new ATOM 642 N VAL A 40 -3.038 -9.747 -0.480 1.00 44.30 N ATOM 643 CA VAL A 40 -3.349 -8.901 -1.620 1.00 13.31 C ATOM 644 C VAL A 40 -3.635 -7.475 -1.165 1.00 1.33 C ATOM 645 O VAL A 40 -4.521 -7.247 -0.339 1.00 10.43 O ATOM 646 CB VAL A 40 -4.566 -9.439 -2.407 1.00 25.34 C ATOM 647 CG1 VAL A 40 -4.880 -8.552 -3.604 1.00 73.32 C ATOM 648 CG2 VAL A 40 -4.326 -10.876 -2.846 1.00 60.54 C ATOM 0 H VAL A 40 -3.823 -9.910 0.151 1.00 44.30 H new ATOM 0 HA VAL A 40 -2.479 -8.907 -2.276 1.00 13.31 H new ATOM 0 HB VAL A 40 -5.431 -9.423 -1.744 1.00 25.34 H new ATOM 0 HG11 VAL A 40 -5.740 -8.954 -4.139 1.00 73.32 H new ATOM 0 HG12 VAL A 40 -5.106 -7.543 -3.260 1.00 73.32 H new ATOM 0 HG13 VAL A 40 -4.019 -8.523 -4.271 1.00 73.32 H new ATOM 0 HG21 VAL A 40 -5.193 -11.237 -3.398 1.00 60.54 H new ATOM 0 HG22 VAL A 40 -3.445 -10.919 -3.486 1.00 60.54 H new ATOM 0 HG23 VAL A 40 -4.168 -11.503 -1.968 1.00 60.54 H new ATOM 658 N VAL A 41 -2.881 -6.525 -1.694 1.00 14.45 N ATOM 659 CA VAL A 41 -3.084 -5.125 -1.365 1.00 43.14 C ATOM 660 C VAL A 41 -3.994 -4.475 -2.401 1.00 60.41 C ATOM 661 O VAL A 41 -3.590 -4.228 -3.540 1.00 2.31 O ATOM 662 CB VAL A 41 -1.755 -4.343 -1.285 1.00 32.12 C ATOM 663 CG1 VAL A 41 -2.012 -2.888 -0.919 1.00 25.42 C ATOM 664 CG2 VAL A 41 -0.807 -4.981 -0.278 1.00 24.54 C ATOM 0 H VAL A 41 -2.123 -6.699 -2.353 1.00 14.45 H new ATOM 0 HA VAL A 41 -3.549 -5.089 -0.380 1.00 43.14 H new ATOM 0 HB VAL A 41 -1.284 -4.378 -2.267 1.00 32.12 H new ATOM 0 HG11 VAL A 41 -1.064 -2.353 -0.867 1.00 25.42 H new ATOM 0 HG12 VAL A 41 -2.647 -2.429 -1.677 1.00 25.42 H new ATOM 0 HG13 VAL A 41 -2.510 -2.839 0.050 1.00 25.42 H new ATOM 0 HG21 VAL A 41 0.121 -4.411 -0.241 1.00 24.54 H new ATOM 0 HG22 VAL A 41 -1.271 -4.983 0.708 1.00 24.54 H new ATOM 0 HG23 VAL A 41 -0.592 -6.006 -0.580 1.00 24.54 H new ATOM 674 N THR A 42 -5.231 -4.243 -2.006 1.00 20.52 N ATOM 675 CA THR A 42 -6.209 -3.598 -2.864 1.00 60.43 C ATOM 676 C THR A 42 -6.286 -2.109 -2.547 1.00 55.10 C ATOM 677 O THR A 42 -5.556 -1.616 -1.679 1.00 34.41 O ATOM 678 CB THR A 42 -7.598 -4.228 -2.655 1.00 53.21 C ATOM 679 OG1 THR A 42 -7.947 -4.147 -1.266 1.00 24.12 O ATOM 680 CG2 THR A 42 -7.612 -5.684 -3.110 1.00 32.50 C ATOM 0 H THR A 42 -5.587 -4.495 -1.084 1.00 20.52 H new ATOM 0 HA THR A 42 -5.899 -3.735 -3.900 1.00 60.43 H new ATOM 0 HB THR A 42 -8.326 -3.680 -3.254 1.00 53.21 H new ATOM 0 HG1 THR A 42 -8.648 -4.802 -1.066 1.00 24.12 H new ATOM 0 HG21 THR A 42 -8.605 -6.105 -2.951 1.00 32.50 H new ATOM 0 HG22 THR A 42 -7.360 -5.737 -4.169 1.00 32.50 H new ATOM 0 HG23 THR A 42 -6.881 -6.252 -2.535 1.00 32.50 H new ATOM 688 N ALA A 43 -7.165 -1.394 -3.244 1.00 40.43 N ATOM 689 CA ALA A 43 -7.440 -0.003 -2.924 1.00 72.31 C ATOM 690 C ALA A 43 -7.974 0.093 -1.506 1.00 33.34 C ATOM 691 O ALA A 43 -7.666 1.026 -0.774 1.00 23.25 O ATOM 692 CB ALA A 43 -8.442 0.584 -3.905 1.00 71.13 C ATOM 0 H ALA A 43 -7.698 -1.758 -4.034 1.00 40.43 H new ATOM 0 HA ALA A 43 -6.515 0.568 -3.001 1.00 72.31 H new ATOM 0 HB1 ALA A 43 -8.635 1.626 -3.649 1.00 71.13 H new ATOM 0 HB2 ALA A 43 -8.037 0.528 -4.916 1.00 71.13 H new ATOM 0 HB3 ALA A 43 -9.373 0.020 -3.855 1.00 71.13 H new ATOM 698 N ASP A 44 -8.773 -0.902 -1.135 1.00 1.55 N ATOM 699 CA ASP A 44 -9.306 -1.021 0.216 1.00 20.22 C ATOM 700 C ASP A 44 -8.182 -1.128 1.243 1.00 1.02 C ATOM 701 O ASP A 44 -8.136 -0.364 2.209 1.00 35.41 O ATOM 702 CB ASP A 44 -10.224 -2.245 0.305 1.00 71.34 C ATOM 703 CG ASP A 44 -10.387 -2.753 1.723 1.00 11.30 C ATOM 704 OD1 ASP A 44 -11.106 -2.111 2.517 1.00 10.21 O ATOM 705 OD2 ASP A 44 -9.785 -3.802 2.051 1.00 63.04 O ATOM 0 H ASP A 44 -9.069 -1.649 -1.764 1.00 1.55 H new ATOM 0 HA ASP A 44 -9.881 -0.122 0.440 1.00 20.22 H new ATOM 0 HB2 ASP A 44 -11.203 -1.989 -0.100 1.00 71.34 H new ATOM 0 HB3 ASP A 44 -9.820 -3.043 -0.318 1.00 71.34 H new ATOM 710 N VAL A 45 -7.270 -2.068 1.020 1.00 5.25 N ATOM 711 CA VAL A 45 -6.153 -2.283 1.934 1.00 41.12 C ATOM 712 C VAL A 45 -5.289 -1.027 2.043 1.00 71.14 C ATOM 713 O VAL A 45 -4.880 -0.636 3.138 1.00 10.22 O ATOM 714 CB VAL A 45 -5.281 -3.480 1.491 1.00 4.23 C ATOM 715 CG1 VAL A 45 -4.091 -3.666 2.423 1.00 11.33 C ATOM 716 CG2 VAL A 45 -6.115 -4.751 1.437 1.00 10.11 C ATOM 0 H VAL A 45 -7.282 -2.693 0.214 1.00 5.25 H new ATOM 0 HA VAL A 45 -6.576 -2.509 2.913 1.00 41.12 H new ATOM 0 HB VAL A 45 -4.898 -3.268 0.493 1.00 4.23 H new ATOM 0 HG11 VAL A 45 -3.495 -4.515 2.087 1.00 11.33 H new ATOM 0 HG12 VAL A 45 -3.477 -2.765 2.413 1.00 11.33 H new ATOM 0 HG13 VAL A 45 -4.448 -3.851 3.436 1.00 11.33 H new ATOM 0 HG21 VAL A 45 -5.487 -5.585 1.124 1.00 10.11 H new ATOM 0 HG22 VAL A 45 -6.527 -4.958 2.425 1.00 10.11 H new ATOM 0 HG23 VAL A 45 -6.929 -4.622 0.724 1.00 10.11 H new ATOM 726 N PHE A 46 -5.040 -0.385 0.908 1.00 23.01 N ATOM 727 CA PHE A 46 -4.233 0.824 0.878 1.00 5.44 C ATOM 728 C PHE A 46 -4.975 1.980 1.550 1.00 45.35 C ATOM 729 O PHE A 46 -4.370 2.799 2.239 1.00 53.43 O ATOM 730 CB PHE A 46 -3.872 1.182 -0.567 1.00 21.32 C ATOM 731 CG PHE A 46 -2.800 2.230 -0.683 1.00 12.01 C ATOM 732 CD1 PHE A 46 -1.464 1.886 -0.560 1.00 3.44 C ATOM 733 CD2 PHE A 46 -3.126 3.554 -0.925 1.00 23.51 C ATOM 734 CE1 PHE A 46 -0.473 2.842 -0.675 1.00 73.53 C ATOM 735 CE2 PHE A 46 -2.139 4.516 -1.039 1.00 73.45 C ATOM 736 CZ PHE A 46 -0.812 4.159 -0.914 1.00 15.41 C ATOM 0 H PHE A 46 -5.387 -0.684 -0.004 1.00 23.01 H new ATOM 0 HA PHE A 46 -3.312 0.643 1.431 1.00 5.44 H new ATOM 0 HB2 PHE A 46 -3.543 0.280 -1.083 1.00 21.32 H new ATOM 0 HB3 PHE A 46 -4.768 1.534 -1.079 1.00 21.32 H new ATOM 0 HD1 PHE A 46 -1.193 0.858 -0.372 1.00 3.44 H new ATOM 0 HD2 PHE A 46 -4.163 3.839 -1.026 1.00 23.51 H new ATOM 0 HE1 PHE A 46 0.565 2.560 -0.578 1.00 73.53 H new ATOM 0 HE2 PHE A 46 -2.407 5.546 -1.226 1.00 73.45 H new ATOM 0 HZ PHE A 46 -0.040 4.909 -1.003 1.00 15.41 H new ATOM 746 N ARG A 47 -6.290 2.026 1.356 1.00 1.33 N ATOM 747 CA ARG A 47 -7.131 3.069 1.940 1.00 71.53 C ATOM 748 C ARG A 47 -7.089 3.013 3.466 1.00 15.51 C ATOM 749 O ARG A 47 -6.952 4.041 4.130 1.00 23.42 O ATOM 750 CB ARG A 47 -8.570 2.918 1.443 1.00 4.51 C ATOM 751 CG ARG A 47 -9.519 3.987 1.955 1.00 13.10 C ATOM 752 CD ARG A 47 -10.892 3.860 1.315 1.00 13.21 C ATOM 753 NE ARG A 47 -11.807 4.900 1.781 1.00 15.33 N ATOM 754 CZ ARG A 47 -12.773 5.440 1.038 1.00 41.33 C ATOM 755 NH1 ARG A 47 -12.968 5.049 -0.213 1.00 30.24 N ATOM 756 NH2 ARG A 47 -13.554 6.378 1.555 1.00 2.33 N ATOM 0 H ARG A 47 -6.801 1.346 0.793 1.00 1.33 H new ATOM 0 HA ARG A 47 -6.745 4.039 1.626 1.00 71.53 H new ATOM 0 HB2 ARG A 47 -8.571 2.939 0.353 1.00 4.51 H new ATOM 0 HB3 ARG A 47 -8.946 1.940 1.743 1.00 4.51 H new ATOM 0 HG2 ARG A 47 -9.611 3.906 3.038 1.00 13.10 H new ATOM 0 HG3 ARG A 47 -9.107 4.974 1.744 1.00 13.10 H new ATOM 0 HD2 ARG A 47 -10.795 3.921 0.231 1.00 13.21 H new ATOM 0 HD3 ARG A 47 -11.310 2.879 1.543 1.00 13.21 H new ATOM 0 HE ARG A 47 -11.699 5.235 2.738 1.00 15.33 H new ATOM 0 HH11 ARG A 47 -12.375 4.326 -0.620 1.00 30.24 H new ATOM 0 HH12 ARG A 47 -13.711 5.471 -0.769 1.00 30.24 H new ATOM 0 HH21 ARG A 47 -13.415 6.684 2.518 1.00 2.33 H new ATOM 0 HH22 ARG A 47 -14.294 6.794 0.990 1.00 2.33 H new ATOM 770 N LYS A 48 -7.201 1.809 4.014 1.00 32.44 N ATOM 771 CA LYS A 48 -7.119 1.610 5.459 1.00 51.32 C ATOM 772 C LYS A 48 -5.733 1.980 5.978 1.00 72.23 C ATOM 773 O LYS A 48 -5.589 2.488 7.094 1.00 21.23 O ATOM 774 CB LYS A 48 -7.446 0.160 5.817 1.00 51.54 C ATOM 775 CG LYS A 48 -8.925 -0.168 5.692 1.00 63.44 C ATOM 776 CD LYS A 48 -9.195 -1.658 5.832 1.00 30.14 C ATOM 777 CE LYS A 48 -8.622 -2.433 4.658 1.00 1.30 C ATOM 778 NZ LYS A 48 -9.109 -3.835 4.615 1.00 2.15 N ATOM 0 H LYS A 48 -7.349 0.953 3.480 1.00 32.44 H new ATOM 0 HA LYS A 48 -7.851 2.263 5.934 1.00 51.32 H new ATOM 0 HB2 LYS A 48 -6.877 -0.505 5.168 1.00 51.54 H new ATOM 0 HB3 LYS A 48 -7.122 -0.037 6.839 1.00 51.54 H new ATOM 0 HG2 LYS A 48 -9.482 0.374 6.456 1.00 63.44 H new ATOM 0 HG3 LYS A 48 -9.292 0.177 4.725 1.00 63.44 H new ATOM 0 HD2 LYS A 48 -8.757 -2.024 6.761 1.00 30.14 H new ATOM 0 HD3 LYS A 48 -10.269 -1.831 5.896 1.00 30.14 H new ATOM 0 HE2 LYS A 48 -8.889 -1.930 3.729 1.00 1.30 H new ATOM 0 HE3 LYS A 48 -7.534 -2.431 4.721 1.00 1.30 H new ATOM 0 HZ1 LYS A 48 -9.539 -4.025 3.687 1.00 2.15 H new ATOM 0 HZ2 LYS A 48 -8.311 -4.484 4.767 1.00 2.15 H new ATOM 0 HZ3 LYS A 48 -9.819 -3.979 5.361 1.00 2.15 H new ATOM 792 N ALA A 49 -4.721 1.731 5.153 1.00 14.05 N ATOM 793 CA ALA A 49 -3.344 2.049 5.503 1.00 10.13 C ATOM 794 C ALA A 49 -3.139 3.554 5.612 1.00 51.11 C ATOM 795 O ALA A 49 -2.394 4.017 6.473 1.00 53.42 O ATOM 796 CB ALA A 49 -2.382 1.458 4.483 1.00 61.10 C ATOM 0 H ALA A 49 -4.832 1.307 4.232 1.00 14.05 H new ATOM 0 HA ALA A 49 -3.136 1.606 6.477 1.00 10.13 H new ATOM 0 HB1 ALA A 49 -1.358 1.707 4.762 1.00 61.10 H new ATOM 0 HB2 ALA A 49 -2.499 0.375 4.458 1.00 61.10 H new ATOM 0 HB3 ALA A 49 -2.599 1.869 3.497 1.00 61.10 H new ATOM 802 N LYS A 50 -3.807 4.310 4.741 1.00 64.32 N ATOM 803 CA LYS A 50 -3.706 5.770 4.747 1.00 44.20 C ATOM 804 C LYS A 50 -4.018 6.316 6.134 1.00 14.55 C ATOM 805 O LYS A 50 -3.263 7.115 6.690 1.00 44.25 O ATOM 806 CB LYS A 50 -4.683 6.379 3.737 1.00 11.24 C ATOM 807 CG LYS A 50 -4.497 5.880 2.315 1.00 14.13 C ATOM 808 CD LYS A 50 -3.169 6.316 1.723 1.00 11.52 C ATOM 809 CE LYS A 50 -3.114 7.820 1.521 1.00 44.13 C ATOM 810 NZ LYS A 50 -1.887 8.238 0.795 1.00 34.41 N ATOM 0 H LYS A 50 -4.425 3.935 4.021 1.00 64.32 H new ATOM 0 HA LYS A 50 -2.687 6.040 4.471 1.00 44.20 H new ATOM 0 HB2 LYS A 50 -5.702 6.161 4.057 1.00 11.24 H new ATOM 0 HB3 LYS A 50 -4.571 7.463 3.748 1.00 11.24 H new ATOM 0 HG2 LYS A 50 -4.558 4.792 2.303 1.00 14.13 H new ATOM 0 HG3 LYS A 50 -5.310 6.252 1.692 1.00 14.13 H new ATOM 0 HD2 LYS A 50 -2.357 6.007 2.382 1.00 11.52 H new ATOM 0 HD3 LYS A 50 -3.013 5.814 0.768 1.00 11.52 H new ATOM 0 HE2 LYS A 50 -3.993 8.144 0.964 1.00 44.13 H new ATOM 0 HE3 LYS A 50 -3.150 8.318 2.490 1.00 44.13 H new ATOM 0 HZ1 LYS A 50 -2.124 8.990 0.117 1.00 34.41 H new ATOM 0 HZ2 LYS A 50 -1.185 8.594 1.475 1.00 34.41 H new ATOM 0 HZ3 LYS A 50 -1.491 7.423 0.284 1.00 34.41 H new ATOM 824 N GLU A 51 -5.132 5.856 6.681 1.00 73.24 N ATOM 825 CA GLU A 51 -5.577 6.268 8.004 1.00 23.45 C ATOM 826 C GLU A 51 -4.628 5.755 9.083 1.00 40.15 C ATOM 827 O GLU A 51 -4.326 6.456 10.049 1.00 24.25 O ATOM 828 CB GLU A 51 -6.989 5.732 8.252 1.00 41.21 C ATOM 829 CG GLU A 51 -7.572 6.115 9.602 1.00 62.24 C ATOM 830 CD GLU A 51 -8.863 5.382 9.898 1.00 51.12 C ATOM 831 OE1 GLU A 51 -8.797 4.256 10.442 1.00 20.40 O ATOM 832 OE2 GLU A 51 -9.947 5.923 9.587 1.00 44.02 O ATOM 0 H GLU A 51 -5.752 5.188 6.222 1.00 73.24 H new ATOM 0 HA GLU A 51 -5.583 7.357 8.049 1.00 23.45 H new ATOM 0 HB2 GLU A 51 -7.649 6.100 7.466 1.00 41.21 H new ATOM 0 HB3 GLU A 51 -6.972 4.645 8.171 1.00 41.21 H new ATOM 0 HG2 GLU A 51 -6.845 5.897 10.384 1.00 62.24 H new ATOM 0 HG3 GLU A 51 -7.753 7.190 9.626 1.00 62.24 H new ATOM 839 N HIS A 52 -4.152 4.531 8.903 1.00 23.43 N ATOM 840 CA HIS A 52 -3.329 3.869 9.908 1.00 63.43 C ATOM 841 C HIS A 52 -1.958 4.528 10.033 1.00 41.50 C ATOM 842 O HIS A 52 -1.421 4.648 11.135 1.00 12.12 O ATOM 843 CB HIS A 52 -3.169 2.391 9.552 1.00 63.33 C ATOM 844 CG HIS A 52 -2.551 1.564 10.639 1.00 51.21 C ATOM 845 ND1 HIS A 52 -3.291 0.758 11.476 1.00 34.12 N ATOM 846 CD2 HIS A 52 -1.258 1.403 11.012 1.00 51.30 C ATOM 847 CE1 HIS A 52 -2.485 0.142 12.318 1.00 43.21 C ATOM 848 NE2 HIS A 52 -1.246 0.513 12.056 1.00 73.44 N ATOM 0 H HIS A 52 -4.322 3.973 8.066 1.00 23.43 H new ATOM 0 HA HIS A 52 -3.831 3.962 10.871 1.00 63.43 H new ATOM 0 HB2 HIS A 52 -4.148 1.979 9.308 1.00 63.33 H new ATOM 0 HB3 HIS A 52 -2.556 2.309 8.654 1.00 63.33 H new ATOM 0 HD2 HIS A 52 -0.398 1.885 10.570 1.00 51.30 H new ATOM 0 HE1 HIS A 52 -2.787 -0.549 13.091 1.00 43.21 H new ATOM 0 HE2 HIS A 52 -0.414 0.190 12.550 1.00 73.44 H new ATOM 857 N LEU A 53 -1.398 4.948 8.907 1.00 13.21 N ATOM 858 CA LEU A 53 -0.064 5.542 8.889 1.00 62.42 C ATOM 859 C LEU A 53 -0.046 6.891 9.598 1.00 3.33 C ATOM 860 O LEU A 53 0.995 7.328 10.097 1.00 42.51 O ATOM 861 CB LEU A 53 0.433 5.705 7.452 1.00 71.03 C ATOM 862 CG LEU A 53 0.640 4.397 6.684 1.00 11.35 C ATOM 863 CD1 LEU A 53 1.031 4.681 5.241 1.00 31.32 C ATOM 864 CD2 LEU A 53 1.697 3.535 7.365 1.00 35.44 C ATOM 0 H LEU A 53 -1.845 4.889 7.992 1.00 13.21 H new ATOM 0 HA LEU A 53 0.603 4.865 9.423 1.00 62.42 H new ATOM 0 HB2 LEU A 53 -0.281 6.320 6.905 1.00 71.03 H new ATOM 0 HB3 LEU A 53 1.376 6.251 7.470 1.00 71.03 H new ATOM 0 HG LEU A 53 -0.301 3.848 6.684 1.00 11.35 H new ATOM 0 HD11 LEU A 53 1.174 3.739 4.711 1.00 31.32 H new ATOM 0 HD12 LEU A 53 0.241 5.254 4.756 1.00 31.32 H new ATOM 0 HD13 LEU A 53 1.959 5.253 5.221 1.00 31.32 H new ATOM 0 HD21 LEU A 53 1.829 2.610 6.804 1.00 35.44 H new ATOM 0 HD22 LEU A 53 2.642 4.077 7.399 1.00 35.44 H new ATOM 0 HD23 LEU A 53 1.377 3.301 8.380 1.00 35.44 H new ATOM 876 N GLY A 54 -1.191 7.552 9.637 1.00 35.24 N ATOM 877 CA GLY A 54 -1.277 8.827 10.310 1.00 13.25 C ATOM 878 C GLY A 54 -2.214 9.777 9.605 1.00 42.34 C ATOM 879 O GLY A 54 -3.234 9.357 9.057 1.00 32.20 O ATOM 0 H GLY A 54 -2.061 7.228 9.215 1.00 35.24 H new ATOM 0 HA2 GLY A 54 -1.619 8.674 11.334 1.00 13.25 H new ATOM 0 HA3 GLY A 54 -0.284 9.274 10.368 1.00 13.25 H new ATOM 883 N GLY A 55 -1.867 11.053 9.604 1.00 23.32 N ATOM 884 CA GLY A 55 -2.723 12.050 8.996 1.00 33.31 C ATOM 885 C GLY A 55 -1.964 12.984 8.083 1.00 61.13 C ATOM 886 O GLY A 55 -2.334 14.149 7.936 1.00 53.52 O ATOM 0 H GLY A 55 -1.007 11.418 10.014 1.00 23.32 H new ATOM 0 HA2 GLY A 55 -3.509 11.552 8.429 1.00 33.31 H new ATOM 0 HA3 GLY A 55 -3.213 12.630 9.778 1.00 33.31 H new ATOM 890 N LEU A 56 -0.898 12.475 7.476 1.00 54.11 N ATOM 891 CA LEU A 56 -0.097 13.265 6.546 1.00 62.01 C ATOM 892 C LEU A 56 -0.940 13.689 5.346 1.00 33.30 C ATOM 893 O LEU A 56 -0.871 14.831 4.895 1.00 14.21 O ATOM 894 CB LEU A 56 1.126 12.468 6.086 1.00 45.43 C ATOM 895 CG LEU A 56 2.088 13.222 5.163 1.00 24.11 C ATOM 896 CD1 LEU A 56 2.647 14.453 5.857 1.00 44.22 C ATOM 897 CD2 LEU A 56 3.217 12.309 4.710 1.00 54.43 C ATOM 0 H LEU A 56 -0.568 11.519 7.611 1.00 54.11 H new ATOM 0 HA LEU A 56 0.248 14.162 7.060 1.00 62.01 H new ATOM 0 HB2 LEU A 56 1.677 12.138 6.967 1.00 45.43 H new ATOM 0 HB3 LEU A 56 0.782 11.571 5.571 1.00 45.43 H new ATOM 0 HG LEU A 56 1.532 13.548 4.284 1.00 24.11 H new ATOM 0 HD11 LEU A 56 3.328 14.973 5.183 1.00 44.22 H new ATOM 0 HD12 LEU A 56 1.829 15.119 6.131 1.00 44.22 H new ATOM 0 HD13 LEU A 56 3.186 14.151 6.755 1.00 44.22 H new ATOM 0 HD21 LEU A 56 3.891 12.861 4.055 1.00 54.43 H new ATOM 0 HD22 LEU A 56 3.768 11.952 5.580 1.00 54.43 H new ATOM 0 HD23 LEU A 56 2.802 11.458 4.170 1.00 54.43 H new ATOM 909 N GLU A 57 -1.742 12.763 4.846 1.00 41.41 N ATOM 910 CA GLU A 57 -2.660 13.052 3.758 1.00 0.33 C ATOM 911 C GLU A 57 -4.064 13.205 4.331 1.00 11.10 C ATOM 912 O GLU A 57 -4.763 12.219 4.560 1.00 15.04 O ATOM 913 CB GLU A 57 -2.610 11.930 2.717 1.00 12.50 C ATOM 914 CG GLU A 57 -3.308 12.263 1.408 1.00 34.34 C ATOM 915 CD GLU A 57 -3.178 11.151 0.385 1.00 33.14 C ATOM 916 OE1 GLU A 57 -2.036 10.741 0.087 1.00 21.30 O ATOM 917 OE2 GLU A 57 -4.213 10.665 -0.113 1.00 14.25 O ATOM 0 H GLU A 57 -1.775 11.800 5.179 1.00 41.41 H new ATOM 0 HA GLU A 57 -2.374 13.979 3.261 1.00 0.33 H new ATOM 0 HB2 GLU A 57 -1.568 11.689 2.509 1.00 12.50 H new ATOM 0 HB3 GLU A 57 -3.066 11.035 3.141 1.00 12.50 H new ATOM 0 HG2 GLU A 57 -4.364 12.454 1.601 1.00 34.34 H new ATOM 0 HG3 GLU A 57 -2.887 13.181 0.998 1.00 34.34 H new ATOM 924 N HIS A 58 -4.455 14.441 4.605 1.00 41.44 N ATOM 925 CA HIS A 58 -5.715 14.698 5.292 1.00 63.33 C ATOM 926 C HIS A 58 -6.681 15.476 4.404 1.00 60.40 C ATOM 927 O HIS A 58 -7.882 15.519 4.667 1.00 32.25 O ATOM 928 CB HIS A 58 -5.451 15.458 6.599 1.00 53.14 C ATOM 929 CG HIS A 58 -6.660 15.611 7.478 1.00 53.41 C ATOM 930 ND1 HIS A 58 -7.076 16.824 7.986 1.00 30.30 N ATOM 931 CD2 HIS A 58 -7.533 14.691 7.951 1.00 23.23 C ATOM 932 CE1 HIS A 58 -8.150 16.644 8.731 1.00 60.10 C ATOM 933 NE2 HIS A 58 -8.448 15.360 8.726 1.00 53.41 N ATOM 0 H HIS A 58 -3.923 15.277 4.365 1.00 41.44 H new ATOM 0 HA HIS A 58 -6.181 13.740 5.525 1.00 63.33 H new ATOM 0 HB2 HIS A 58 -4.673 14.938 7.158 1.00 53.14 H new ATOM 0 HB3 HIS A 58 -5.063 16.448 6.359 1.00 53.14 H new ATOM 0 HD2 HIS A 58 -7.513 13.629 7.755 1.00 23.23 H new ATOM 0 HE1 HIS A 58 -8.692 17.417 9.255 1.00 60.10 H new ATOM 0 HE2 HIS A 58 -9.232 14.932 9.219 1.00 53.41 H new ATOM 942 N HIS A 59 -6.155 16.099 3.364 1.00 0.55 N ATOM 943 CA HIS A 59 -6.987 16.823 2.413 1.00 42.20 C ATOM 944 C HIS A 59 -7.318 15.942 1.220 1.00 55.33 C ATOM 945 O HIS A 59 -6.428 15.522 0.483 1.00 73.02 O ATOM 946 CB HIS A 59 -6.289 18.096 1.929 1.00 55.32 C ATOM 947 CG HIS A 59 -6.354 19.231 2.901 1.00 73.30 C ATOM 948 ND1 HIS A 59 -5.791 20.463 2.656 1.00 13.21 N ATOM 949 CD2 HIS A 59 -6.933 19.320 4.121 1.00 71.12 C ATOM 950 CE1 HIS A 59 -6.021 21.261 3.681 1.00 42.24 C ATOM 951 NE2 HIS A 59 -6.714 20.592 4.584 1.00 71.44 N ATOM 0 H HIS A 59 -5.157 16.119 3.155 1.00 0.55 H new ATOM 0 HA HIS A 59 -7.909 17.102 2.923 1.00 42.20 H new ATOM 0 HB2 HIS A 59 -5.244 17.868 1.721 1.00 55.32 H new ATOM 0 HB3 HIS A 59 -6.740 18.410 0.988 1.00 55.32 H new ATOM 0 HD2 HIS A 59 -7.468 18.535 4.635 1.00 71.12 H new ATOM 0 HE1 HIS A 59 -5.697 22.288 3.767 1.00 42.24 H new ATOM 0 HE2 HIS A 59 -7.034 20.961 5.479 1.00 71.44 H new ATOM 960 N HIS A 60 -8.596 15.654 1.036 1.00 73.23 N ATOM 961 CA HIS A 60 -9.031 14.862 -0.101 1.00 41.21 C ATOM 962 C HIS A 60 -10.208 15.536 -0.793 1.00 13.24 C ATOM 963 O HIS A 60 -11.338 15.051 -0.747 1.00 71.52 O ATOM 964 CB HIS A 60 -9.401 13.440 0.335 1.00 31.23 C ATOM 965 CG HIS A 60 -9.554 12.481 -0.809 1.00 2.32 C ATOM 966 ND1 HIS A 60 -8.485 12.024 -1.545 1.00 62.22 N ATOM 967 CD2 HIS A 60 -10.652 11.892 -1.344 1.00 61.21 C ATOM 968 CE1 HIS A 60 -8.912 11.198 -2.481 1.00 51.01 C ATOM 969 NE2 HIS A 60 -10.222 11.100 -2.381 1.00 11.14 N ATOM 0 H HIS A 60 -9.347 15.956 1.657 1.00 73.23 H new ATOM 0 HA HIS A 60 -8.205 14.792 -0.809 1.00 41.21 H new ATOM 0 HB2 HIS A 60 -8.633 13.065 1.012 1.00 31.23 H new ATOM 0 HB3 HIS A 60 -10.334 13.473 0.898 1.00 31.23 H new ATOM 0 HD2 HIS A 60 -11.673 12.021 -1.016 1.00 61.21 H new ATOM 0 HE1 HIS A 60 -8.293 10.689 -3.205 1.00 51.01 H new ATOM 0 HE2 HIS A 60 -10.820 10.528 -2.977 1.00 11.14 H new ATOM 978 N HIS A 61 -9.936 16.673 -1.411 1.00 21.25 N ATOM 979 CA HIS A 61 -10.942 17.391 -2.180 1.00 21.20 C ATOM 980 C HIS A 61 -10.881 16.921 -3.623 1.00 4.11 C ATOM 981 O HIS A 61 -11.892 16.875 -4.324 1.00 2.11 O ATOM 982 CB HIS A 61 -10.693 18.903 -2.103 1.00 65.00 C ATOM 983 CG HIS A 61 -11.856 19.747 -2.531 1.00 72.34 C ATOM 984 ND1 HIS A 61 -12.623 20.464 -1.638 1.00 12.23 N ATOM 985 CD2 HIS A 61 -12.365 20.016 -3.758 1.00 21.32 C ATOM 986 CE1 HIS A 61 -13.550 21.131 -2.294 1.00 21.25 C ATOM 987 NE2 HIS A 61 -13.417 20.878 -3.579 1.00 62.23 N ATOM 0 H HIS A 61 -9.020 17.122 -1.395 1.00 21.25 H new ATOM 0 HA HIS A 61 -11.931 17.189 -1.769 1.00 21.20 H new ATOM 0 HB2 HIS A 61 -10.429 19.163 -1.078 1.00 65.00 H new ATOM 0 HB3 HIS A 61 -9.833 19.149 -2.726 1.00 65.00 H new ATOM 0 HD2 HIS A 61 -12.009 19.625 -4.700 1.00 21.32 H new ATOM 0 HE1 HIS A 61 -14.294 21.777 -1.852 1.00 21.25 H new ATOM 0 HE2 HIS A 61 -14.002 21.261 -4.322 1.00 62.23 H new ATOM 996 N HIS A 62 -9.673 16.570 -4.049 1.00 75.13 N ATOM 997 CA HIS A 62 -9.443 16.050 -5.390 1.00 2.53 C ATOM 998 C HIS A 62 -8.016 15.527 -5.505 1.00 60.33 C ATOM 999 O HIS A 62 -7.750 14.574 -6.230 1.00 41.21 O ATOM 1000 CB HIS A 62 -9.686 17.131 -6.442 1.00 21.41 C ATOM 1001 CG HIS A 62 -10.461 16.643 -7.628 1.00 41.24 C ATOM 1002 ND1 HIS A 62 -9.875 16.230 -8.806 1.00 32.12 N ATOM 1003 CD2 HIS A 62 -11.795 16.515 -7.809 1.00 44.35 C ATOM 1004 CE1 HIS A 62 -10.818 15.873 -9.659 1.00 32.24 C ATOM 1005 NE2 HIS A 62 -11.990 16.036 -9.077 1.00 21.10 N ATOM 0 H HIS A 62 -8.831 16.638 -3.478 1.00 75.13 H new ATOM 0 HA HIS A 62 -10.144 15.234 -5.567 1.00 2.53 H new ATOM 0 HB2 HIS A 62 -10.223 17.961 -5.982 1.00 21.41 H new ATOM 0 HB3 HIS A 62 -8.726 17.521 -6.780 1.00 21.41 H new ATOM 0 HD2 HIS A 62 -12.564 16.747 -7.087 1.00 44.35 H new ATOM 0 HE1 HIS A 62 -10.657 15.509 -10.663 1.00 32.24 H new ATOM 0 HE2 HIS A 62 -12.895 15.837 -9.503 1.00 21.10 H new ATOM 1014 N HIS A 63 -7.102 16.158 -4.777 1.00 75.13 N ATOM 1015 CA HIS A 63 -5.703 15.744 -4.774 1.00 35.44 C ATOM 1016 C HIS A 63 -5.254 15.402 -3.360 1.00 3.20 C ATOM 1017 O HIS A 63 -4.823 14.253 -3.132 1.00 36.76 O ATOM 1018 CB HIS A 63 -4.795 16.825 -5.391 1.00 12.30 C ATOM 1019 CG HIS A 63 -4.989 18.210 -4.838 1.00 1.35 C ATOM 1020 ND1 HIS A 63 -5.777 19.159 -5.456 1.00 30.24 N ATOM 1021 CD2 HIS A 63 -4.483 18.810 -3.733 1.00 53.04 C ATOM 1022 CE1 HIS A 63 -5.748 20.277 -4.756 1.00 53.00 C ATOM 1023 NE2 HIS A 63 -4.972 20.094 -3.705 1.00 22.45 N ATOM 1024 OXT HIS A 63 -5.384 16.269 -2.470 1.00 36.76 O ATOM 0 H HIS A 63 -7.305 16.960 -4.180 1.00 75.13 H new ATOM 0 HA HIS A 63 -5.615 14.850 -5.392 1.00 35.44 H new ATOM 0 HB2 HIS A 63 -3.755 16.533 -5.242 1.00 12.30 H new ATOM 0 HB3 HIS A 63 -4.968 16.852 -6.467 1.00 12.30 H new ATOM 0 HD2 HIS A 63 -3.819 18.362 -3.009 1.00 53.04 H new ATOM 0 HE1 HIS A 63 -6.272 21.189 -5.002 1.00 53.00 H new ATOM 0 HE2 HIS A 63 -4.768 20.791 -2.989 1.00 22.45 H new TER 1033 HIS A 63