USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 752 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 32 SER OG : rot 180:sc= -0.652 USER MOD Set 1.2: A 64 MET CE :methyl -169:sc= -0.0861 (180deg=-0.319) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= -1.18 (180deg=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0.0266 (180deg=0.0257) USER MOD Single : A 17 TYR OH : rot 50:sc= -1.37 USER MOD Single : A 23 SER OG : rot 82:sc= 1.23 USER MOD Single : A 25 SER OG : rot 106:sc= -0.567! USER MOD Single : A 28 ASN : amide:sc= -0.0117! K(o=-0.012!,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= 0.244 (180deg=-0.38) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -5.85! C(o=-5.8!,f=-4.4!) USER MOD Single : A 43 SER OG : rot -80:sc= -2.11! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 113:sc= -3.67! USER MOD Single : A 61 HIS : no HE2:sc= -8.07! C(o=-8.1!,f=-11!) USER MOD Single : A 74 MET CE :methyl -138:sc= -2.58! (180deg=-4.66!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 96:sc= -0.22 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 142:sc= -0.174 (180deg=-0.46) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -119:sc= -10.6! (180deg=-15.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -12.141 -6.474 18.732 1.00 0.00 N ATOM 2 CA PRO A 6 -12.093 -5.007 18.955 1.00 0.00 C ATOM 3 C PRO A 6 -11.565 -4.291 17.710 1.00 0.00 C ATOM 4 O PRO A 6 -11.476 -4.864 16.642 1.00 0.00 O ATOM 5 CB PRO A 6 -11.116 -4.857 20.118 1.00 0.00 C ATOM 6 CG PRO A 6 -10.249 -6.075 20.054 1.00 0.00 C ATOM 7 CD PRO A 6 -11.085 -7.180 19.464 1.00 0.00 C ATOM 0 HA PRO A 6 -13.071 -4.574 19.162 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.525 -3.946 20.022 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.642 -4.797 21.071 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.367 -5.889 19.441 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.894 -6.348 21.048 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.497 -7.815 18.802 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.499 -7.825 20.239 1.00 0.00 H new ATOM 15 N TRP A 7 -11.206 -3.043 17.848 1.00 0.00 N ATOM 16 CA TRP A 7 -10.672 -2.277 16.689 1.00 0.00 C ATOM 17 C TRP A 7 -9.719 -3.163 15.889 1.00 0.00 C ATOM 18 O TRP A 7 -8.810 -3.759 16.434 1.00 0.00 O ATOM 19 CB TRP A 7 -9.932 -1.100 17.333 1.00 0.00 C ATOM 20 CG TRP A 7 -9.216 -0.290 16.301 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.411 -0.370 14.968 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.195 0.731 16.506 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.572 0.538 14.339 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.804 1.238 15.246 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.578 1.260 17.654 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.834 2.234 15.126 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.602 2.264 17.537 1.00 0.00 C ATOM 28 CH2 TRP A 7 -6.231 2.749 16.275 1.00 0.00 C ATOM 0 H TRP A 7 -11.261 -2.519 18.721 1.00 0.00 H new ATOM 0 HA TRP A 7 -11.442 -1.941 15.994 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.641 -0.469 17.869 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.218 -1.472 18.068 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.106 -1.032 14.473 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.528 0.672 13.329 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.856 0.892 18.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.552 2.604 14.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.135 2.664 18.425 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.480 3.520 16.192 1.00 0.00 H new ATOM 39 N ALA A 8 -9.924 -3.265 14.602 1.00 0.00 N ATOM 40 CA ALA A 8 -9.036 -4.122 13.766 1.00 0.00 C ATOM 41 C ALA A 8 -7.582 -3.990 14.223 1.00 0.00 C ATOM 42 O ALA A 8 -6.786 -4.894 14.065 1.00 0.00 O ATOM 43 CB ALA A 8 -9.204 -3.592 12.343 1.00 0.00 C ATOM 0 H ALA A 8 -10.670 -2.790 14.094 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.293 -5.179 13.841 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.580 -4.172 11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.248 -3.680 12.043 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.903 -2.545 12.307 1.00 0.00 H new ATOM 49 N VAL A 9 -7.232 -2.874 14.802 1.00 0.00 N ATOM 50 CA VAL A 9 -5.832 -2.693 15.279 1.00 0.00 C ATOM 51 C VAL A 9 -5.763 -2.967 16.785 1.00 0.00 C ATOM 52 O VAL A 9 -6.515 -2.414 17.561 1.00 0.00 O ATOM 53 CB VAL A 9 -5.489 -1.234 14.975 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.290 -0.797 15.823 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.135 -1.093 13.492 1.00 0.00 C ATOM 0 H VAL A 9 -7.853 -2.082 14.965 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.133 -3.375 14.795 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.348 -0.606 15.210 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.049 0.243 15.603 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.536 -0.897 16.880 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.431 -1.426 15.590 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.890 -0.054 13.274 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.277 -1.724 13.261 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.986 -1.401 12.884 1.00 0.00 H new ATOM 65 N LYS A 10 -4.869 -3.821 17.201 1.00 0.00 N ATOM 66 CA LYS A 10 -4.758 -4.131 18.654 1.00 0.00 C ATOM 67 C LYS A 10 -3.877 -3.094 19.353 1.00 0.00 C ATOM 68 O LYS A 10 -3.311 -2.228 18.716 1.00 0.00 O ATOM 69 CB LYS A 10 -4.102 -5.511 18.710 1.00 0.00 C ATOM 70 CG LYS A 10 -5.134 -6.548 19.158 1.00 0.00 C ATOM 71 CD LYS A 10 -4.531 -7.425 20.257 1.00 0.00 C ATOM 72 CE LYS A 10 -4.966 -8.878 20.048 1.00 0.00 C ATOM 73 NZ LYS A 10 -5.225 -9.401 21.419 1.00 0.00 N ATOM 0 H LYS A 10 -4.212 -4.317 16.599 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.726 -4.114 19.155 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.705 -5.777 17.730 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.260 -5.498 19.402 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.030 -6.049 19.527 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.437 -7.164 18.312 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.444 -7.354 20.238 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.856 -7.074 21.236 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.860 -8.937 19.427 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.190 -9.455 19.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.528 -10.394 21.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.355 -9.338 21.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.973 -8.837 21.870 1.00 0.00 H new ATOM 87 N PRO A 11 -3.783 -3.229 20.646 1.00 0.00 N ATOM 88 CA PRO A 11 -2.952 -2.301 21.452 1.00 0.00 C ATOM 89 C PRO A 11 -1.475 -2.559 21.165 1.00 0.00 C ATOM 90 O PRO A 11 -0.662 -1.655 21.151 1.00 0.00 O ATOM 91 CB PRO A 11 -3.299 -2.669 22.892 1.00 0.00 C ATOM 92 CG PRO A 11 -3.778 -4.082 22.821 1.00 0.00 C ATOM 93 CD PRO A 11 -4.432 -4.250 21.475 1.00 0.00 C ATOM 0 HA PRO A 11 -3.135 -1.248 21.236 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.430 -2.578 23.544 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.069 -2.010 23.294 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.948 -4.778 22.937 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.485 -4.292 23.624 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.274 -5.251 21.075 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.510 -4.096 21.531 1.00 0.00 H new ATOM 101 N GLU A 12 -1.129 -3.791 20.925 1.00 0.00 N ATOM 102 CA GLU A 12 0.291 -4.128 20.623 1.00 0.00 C ATOM 103 C GLU A 12 0.587 -3.768 19.169 1.00 0.00 C ATOM 104 O GLU A 12 1.712 -3.504 18.795 1.00 0.00 O ATOM 105 CB GLU A 12 0.413 -5.640 20.841 1.00 0.00 C ATOM 106 CG GLU A 12 -0.470 -6.068 22.016 1.00 0.00 C ATOM 107 CD GLU A 12 0.092 -7.343 22.646 1.00 0.00 C ATOM 108 OE1 GLU A 12 1.071 -7.242 23.366 1.00 0.00 O ATOM 109 OE2 GLU A 12 -0.467 -8.399 22.397 1.00 0.00 O ATOM 0 H GLU A 12 -1.771 -4.584 20.925 1.00 0.00 H new ATOM 0 HA GLU A 12 0.995 -3.584 21.253 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.115 -6.172 19.938 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.451 -5.905 21.039 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.513 -5.272 22.760 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.490 -6.240 21.673 1.00 0.00 H new ATOM 116 N ASP A 13 -0.431 -3.731 18.354 1.00 0.00 N ATOM 117 CA ASP A 13 -0.231 -3.359 16.931 1.00 0.00 C ATOM 118 C ASP A 13 -0.209 -1.841 16.841 1.00 0.00 C ATOM 119 O ASP A 13 0.680 -1.249 16.263 1.00 0.00 O ATOM 120 CB ASP A 13 -1.440 -3.933 16.188 1.00 0.00 C ATOM 121 CG ASP A 13 -1.239 -5.432 15.959 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.379 -6.001 16.610 1.00 0.00 O ATOM 123 OD2 ASP A 13 -1.948 -5.986 15.135 1.00 0.00 O ATOM 0 H ASP A 13 -1.394 -3.943 18.616 1.00 0.00 H new ATOM 0 HA ASP A 13 0.699 -3.740 16.508 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.349 -3.762 16.765 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.568 -3.423 15.233 1.00 0.00 H new ATOM 128 N LYS A 14 -1.174 -1.208 17.445 1.00 0.00 N ATOM 129 CA LYS A 14 -1.208 0.274 17.434 1.00 0.00 C ATOM 130 C LYS A 14 0.015 0.801 18.181 1.00 0.00 C ATOM 131 O LYS A 14 0.419 1.936 18.021 1.00 0.00 O ATOM 132 CB LYS A 14 -2.494 0.654 18.170 1.00 0.00 C ATOM 133 CG LYS A 14 -3.128 1.871 17.494 1.00 0.00 C ATOM 134 CD LYS A 14 -2.512 3.148 18.067 1.00 0.00 C ATOM 135 CE LYS A 14 -2.287 4.162 16.943 1.00 0.00 C ATOM 136 NZ LYS A 14 -0.871 4.598 17.100 1.00 0.00 N ATOM 0 H LYS A 14 -1.941 -1.657 17.946 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.191 0.692 16.428 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.191 -0.184 18.162 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.276 0.877 19.214 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.967 1.828 16.417 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.206 1.870 17.655 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.170 3.572 18.826 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.566 2.919 18.557 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.456 3.712 15.965 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.972 5.005 17.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.719 5.481 16.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.666 4.757 18.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.238 3.861 16.730 1.00 0.00 H new ATOM 150 N ALA A 15 0.614 -0.031 18.989 1.00 0.00 N ATOM 151 CA ALA A 15 1.823 0.397 19.743 1.00 0.00 C ATOM 152 C ALA A 15 3.039 0.307 18.825 1.00 0.00 C ATOM 153 O ALA A 15 3.859 1.203 18.776 1.00 0.00 O ATOM 154 CB ALA A 15 1.942 -0.593 20.904 1.00 0.00 C ATOM 0 H ALA A 15 0.316 -0.992 19.159 1.00 0.00 H new ATOM 0 HA ALA A 15 1.759 1.423 20.104 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.814 -0.342 21.508 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.045 -0.540 21.521 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.052 -1.604 20.511 1.00 0.00 H new ATOM 160 N LYS A 16 3.150 -0.757 18.076 1.00 0.00 N ATOM 161 CA LYS A 16 4.298 -0.881 17.143 1.00 0.00 C ATOM 162 C LYS A 16 4.064 0.054 15.952 1.00 0.00 C ATOM 163 O LYS A 16 4.993 0.556 15.349 1.00 0.00 O ATOM 164 CB LYS A 16 4.331 -2.363 16.738 1.00 0.00 C ATOM 165 CG LYS A 16 3.576 -2.585 15.431 1.00 0.00 C ATOM 166 CD LYS A 16 3.741 -4.040 14.987 1.00 0.00 C ATOM 167 CE LYS A 16 4.097 -4.084 13.500 1.00 0.00 C ATOM 168 NZ LYS A 16 5.395 -4.812 13.437 1.00 0.00 N ATOM 0 H LYS A 16 2.497 -1.540 18.072 1.00 0.00 H new ATOM 0 HA LYS A 16 5.255 -0.595 17.579 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.364 -2.691 16.626 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.887 -2.970 17.527 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.520 -2.352 15.565 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.955 -1.913 14.661 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.523 -4.524 15.573 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.819 -4.593 15.167 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.327 -4.599 12.925 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.187 -3.080 13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.689 -4.913 12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.118 -4.278 13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.285 -5.754 13.863 1.00 0.00 H new ATOM 182 N TYR A 17 2.821 0.317 15.636 1.00 0.00 N ATOM 183 CA TYR A 17 2.519 1.252 14.516 1.00 0.00 C ATOM 184 C TYR A 17 2.890 2.665 14.954 1.00 0.00 C ATOM 185 O TYR A 17 3.377 3.464 14.181 1.00 0.00 O ATOM 186 CB TYR A 17 1.005 1.167 14.298 1.00 0.00 C ATOM 187 CG TYR A 17 0.592 -0.235 13.919 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.550 -1.243 13.765 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.764 -0.525 13.729 1.00 0.00 C ATOM 190 CE1 TYR A 17 1.153 -2.541 13.421 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.163 -1.820 13.385 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.204 -2.830 13.231 1.00 0.00 C ATOM 193 OH TYR A 17 -0.596 -4.110 12.892 1.00 0.00 O ATOM 0 H TYR A 17 2.005 -0.076 16.106 1.00 0.00 H new ATOM 0 HA TYR A 17 3.068 1.005 13.608 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.485 1.470 15.207 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.707 1.863 13.513 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.596 -1.020 13.912 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.503 0.253 13.848 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.893 -3.319 13.302 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.210 -2.042 13.238 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.182 -4.752 13.506 1.00 0.00 H new ATOM 203 N ASP A 18 2.661 2.967 16.204 1.00 0.00 N ATOM 204 CA ASP A 18 2.994 4.322 16.725 1.00 0.00 C ATOM 205 C ASP A 18 4.508 4.467 16.854 1.00 0.00 C ATOM 206 O ASP A 18 5.025 5.544 17.071 1.00 0.00 O ATOM 207 CB ASP A 18 2.320 4.392 18.095 1.00 0.00 C ATOM 208 CG ASP A 18 2.475 5.801 18.670 1.00 0.00 C ATOM 209 OD1 ASP A 18 3.150 6.602 18.047 1.00 0.00 O ATOM 210 OD2 ASP A 18 1.912 6.054 19.723 1.00 0.00 O ATOM 0 H ASP A 18 2.256 2.329 16.889 1.00 0.00 H new ATOM 0 HA ASP A 18 2.653 5.122 16.068 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.264 4.139 18.005 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.767 3.662 18.769 1.00 0.00 H new ATOM 215 N ALA A 19 5.225 3.391 16.689 1.00 0.00 N ATOM 216 CA ALA A 19 6.707 3.467 16.764 1.00 0.00 C ATOM 217 C ALA A 19 7.223 3.618 15.344 1.00 0.00 C ATOM 218 O ALA A 19 8.168 4.333 15.076 1.00 0.00 O ATOM 219 CB ALA A 19 7.159 2.137 17.364 1.00 0.00 C ATOM 0 H ALA A 19 4.847 2.462 16.505 1.00 0.00 H new ATOM 0 HA ALA A 19 7.073 4.300 17.364 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.246 2.126 17.447 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.718 2.016 18.353 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.836 1.319 16.720 1.00 0.00 H new ATOM 225 N ILE A 20 6.562 2.970 14.429 1.00 0.00 N ATOM 226 CA ILE A 20 6.942 3.080 13.009 1.00 0.00 C ATOM 227 C ILE A 20 6.409 4.416 12.497 1.00 0.00 C ATOM 228 O ILE A 20 7.004 5.066 11.661 1.00 0.00 O ATOM 229 CB ILE A 20 6.224 1.915 12.341 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.965 0.611 12.631 1.00 0.00 C ATOM 231 CG2 ILE A 20 6.170 2.145 10.841 1.00 0.00 C ATOM 232 CD1 ILE A 20 6.011 -0.562 12.408 1.00 0.00 C ATOM 0 H ILE A 20 5.764 2.362 14.614 1.00 0.00 H new ATOM 0 HA ILE A 20 8.015 3.045 12.821 1.00 0.00 H new ATOM 0 HB ILE A 20 5.211 1.846 12.736 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.834 0.519 11.980 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.333 0.607 13.657 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.656 1.311 10.363 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.631 3.070 10.634 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.184 2.220 10.448 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.531 -1.498 12.613 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.156 -0.468 13.078 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.665 -0.558 11.375 1.00 0.00 H new ATOM 244 N PHE A 21 5.291 4.834 13.034 1.00 0.00 N ATOM 245 CA PHE A 21 4.705 6.139 12.634 1.00 0.00 C ATOM 246 C PHE A 21 5.603 7.253 13.173 1.00 0.00 C ATOM 247 O PHE A 21 5.915 8.208 12.489 1.00 0.00 O ATOM 248 CB PHE A 21 3.315 6.166 13.296 1.00 0.00 C ATOM 249 CG PHE A 21 2.941 7.577 13.695 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.464 8.129 14.871 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.076 8.331 12.893 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.125 9.433 15.243 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.735 9.638 13.267 1.00 0.00 C ATOM 254 CZ PHE A 21 2.260 10.188 14.443 1.00 0.00 C ATOM 0 H PHE A 21 4.759 4.320 13.737 1.00 0.00 H new ATOM 0 HA PHE A 21 4.624 6.275 11.556 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.570 5.768 12.607 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.312 5.521 14.175 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.130 7.547 15.491 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.672 7.906 11.986 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.531 9.858 16.149 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.068 10.220 12.649 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.997 11.195 14.733 1.00 0.00 H new ATOM 264 N ASP A 22 6.027 7.117 14.397 1.00 0.00 N ATOM 265 CA ASP A 22 6.918 8.143 15.001 1.00 0.00 C ATOM 266 C ASP A 22 8.368 7.867 14.593 1.00 0.00 C ATOM 267 O ASP A 22 9.282 8.560 14.995 1.00 0.00 O ATOM 268 CB ASP A 22 6.732 7.992 16.511 1.00 0.00 C ATOM 269 CG ASP A 22 7.635 8.987 17.242 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.152 9.878 16.588 1.00 0.00 O ATOM 271 OD2 ASP A 22 7.795 8.841 18.443 1.00 0.00 O ATOM 0 H ASP A 22 5.793 6.335 15.008 1.00 0.00 H new ATOM 0 HA ASP A 22 6.682 9.155 14.672 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.690 8.167 16.778 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.973 6.974 16.817 1.00 0.00 H new ATOM 276 N SER A 23 8.581 6.865 13.780 1.00 0.00 N ATOM 277 CA SER A 23 9.964 6.550 13.322 1.00 0.00 C ATOM 278 C SER A 23 10.252 7.314 12.028 1.00 0.00 C ATOM 279 O SER A 23 11.367 7.357 11.546 1.00 0.00 O ATOM 280 CB SER A 23 9.967 5.042 13.073 1.00 0.00 C ATOM 281 OG SER A 23 10.589 4.388 14.170 1.00 0.00 O ATOM 0 H SER A 23 7.854 6.251 13.413 1.00 0.00 H new ATOM 0 HA SER A 23 10.726 6.835 14.047 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.946 4.680 12.950 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.500 4.815 12.149 1.00 0.00 H new ATOM 0 HG SER A 23 9.940 4.278 14.896 1.00 0.00 H new ATOM 287 N LEU A 24 9.243 7.932 11.481 1.00 0.00 N ATOM 288 CA LEU A 24 9.416 8.725 10.231 1.00 0.00 C ATOM 289 C LEU A 24 9.401 10.208 10.592 1.00 0.00 C ATOM 290 O LEU A 24 9.641 11.063 9.763 1.00 0.00 O ATOM 291 CB LEU A 24 8.196 8.400 9.353 1.00 0.00 C ATOM 292 CG LEU A 24 7.704 6.974 9.605 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.344 6.777 8.931 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.706 5.981 9.020 1.00 0.00 C ATOM 0 H LEU A 24 8.293 7.921 11.852 1.00 0.00 H new ATOM 0 HA LEU A 24 10.350 8.493 9.719 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.394 9.108 9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.458 8.518 8.302 1.00 0.00 H new ATOM 0 HG LEU A 24 7.607 6.807 10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.993 5.761 9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.627 7.487 9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.442 6.943 7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.357 4.964 9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.801 6.149 7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.677 6.120 9.496 1.00 0.00 H new ATOM 306 N SER A 25 9.085 10.504 11.832 1.00 0.00 N ATOM 307 CA SER A 25 9.004 11.923 12.308 1.00 0.00 C ATOM 308 C SER A 25 7.634 12.492 11.945 1.00 0.00 C ATOM 309 O SER A 25 7.425 12.973 10.849 1.00 0.00 O ATOM 310 CB SER A 25 10.127 12.690 11.603 1.00 0.00 C ATOM 311 OG SER A 25 11.260 11.842 11.465 1.00 0.00 O ATOM 0 H SER A 25 8.876 9.808 12.547 1.00 0.00 H new ATOM 0 HA SER A 25 9.121 12.001 13.389 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.791 13.030 10.623 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.391 13.579 12.176 1.00 0.00 H new ATOM 0 HG SER A 25 11.344 11.558 10.531 1.00 0.00 H new ATOM 317 N PRO A 26 6.737 12.389 12.888 1.00 0.00 N ATOM 318 CA PRO A 26 5.352 12.870 12.687 1.00 0.00 C ATOM 319 C PRO A 26 5.303 14.390 12.733 1.00 0.00 C ATOM 320 O PRO A 26 6.022 15.032 13.473 1.00 0.00 O ATOM 321 CB PRO A 26 4.588 12.271 13.861 1.00 0.00 C ATOM 322 CG PRO A 26 5.617 12.056 14.920 1.00 0.00 C ATOM 323 CD PRO A 26 6.935 11.825 14.224 1.00 0.00 C ATOM 0 HA PRO A 26 4.937 12.581 11.721 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.802 12.943 14.205 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.107 11.334 13.582 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.677 12.922 15.579 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.355 11.200 15.542 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.754 12.318 14.747 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.180 10.764 14.176 1.00 0.00 H new ATOM 331 N VAL A 27 4.445 14.962 11.952 1.00 0.00 N ATOM 332 CA VAL A 27 4.316 16.442 11.937 1.00 0.00 C ATOM 333 C VAL A 27 2.950 16.834 12.494 1.00 0.00 C ATOM 334 O VAL A 27 1.944 16.715 11.826 1.00 0.00 O ATOM 335 CB VAL A 27 4.433 16.834 10.466 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.526 18.356 10.352 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.691 16.199 9.866 1.00 0.00 C ATOM 0 H VAL A 27 3.820 14.467 11.316 1.00 0.00 H new ATOM 0 HA VAL A 27 5.071 16.940 12.545 1.00 0.00 H new ATOM 0 HB VAL A 27 3.555 16.481 9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.610 18.638 9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.631 18.808 10.779 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.404 18.708 10.893 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.774 16.479 8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.570 16.551 10.406 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.626 15.114 9.948 1.00 0.00 H new ATOM 347 N ASN A 28 2.902 17.280 13.717 1.00 0.00 N ATOM 348 CA ASN A 28 1.591 17.655 14.312 1.00 0.00 C ATOM 349 C ASN A 28 0.693 16.419 14.374 1.00 0.00 C ATOM 350 O ASN A 28 -0.515 16.516 14.464 1.00 0.00 O ATOM 351 CB ASN A 28 1.011 18.699 13.359 1.00 0.00 C ATOM 352 CG ASN A 28 -0.136 19.441 14.048 1.00 0.00 C ATOM 353 OD1 ASN A 28 -0.007 20.600 14.393 1.00 0.00 O ATOM 354 ND2 ASN A 28 -1.264 18.819 14.262 1.00 0.00 N ATOM 0 H ASN A 28 3.710 17.401 14.328 1.00 0.00 H new ATOM 0 HA ASN A 28 1.679 18.044 15.326 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.787 19.404 13.060 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.652 18.217 12.450 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.036 19.305 14.718 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.373 17.847 13.973 1.00 0.00 H new ATOM 361 N GLY A 29 1.281 15.255 14.312 1.00 0.00 N ATOM 362 CA GLY A 29 0.474 14.005 14.354 1.00 0.00 C ATOM 363 C GLY A 29 0.142 13.575 12.924 1.00 0.00 C ATOM 364 O GLY A 29 -0.916 13.041 12.655 1.00 0.00 O ATOM 0 H GLY A 29 2.289 15.117 14.234 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.028 13.217 14.865 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.443 14.168 14.920 1.00 0.00 H new ATOM 368 N PHE A 30 1.035 13.813 11.998 1.00 0.00 N ATOM 369 CA PHE A 30 0.761 13.425 10.583 1.00 0.00 C ATOM 370 C PHE A 30 2.029 12.957 9.874 1.00 0.00 C ATOM 371 O PHE A 30 3.119 13.421 10.147 1.00 0.00 O ATOM 372 CB PHE A 30 0.245 14.697 9.921 1.00 0.00 C ATOM 373 CG PHE A 30 -1.100 15.034 10.493 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.220 14.284 10.126 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.225 16.090 11.397 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.473 14.593 10.665 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.474 16.402 11.936 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.601 15.653 11.571 1.00 0.00 C ATOM 0 H PHE A 30 1.939 14.258 12.160 1.00 0.00 H new ATOM 0 HA PHE A 30 0.052 12.599 10.532 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.942 15.518 10.089 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.171 14.557 8.843 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.118 13.467 9.427 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.356 16.665 11.679 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.341 14.015 10.383 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.572 17.220 12.634 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.568 15.893 11.988 1.00 0.00 H new ATOM 388 N LEU A 31 1.883 12.064 8.936 1.00 0.00 N ATOM 389 CA LEU A 31 3.066 11.585 8.168 1.00 0.00 C ATOM 390 C LEU A 31 2.798 11.768 6.679 1.00 0.00 C ATOM 391 O LEU A 31 1.753 11.403 6.176 1.00 0.00 O ATOM 392 CB LEU A 31 3.231 10.101 8.492 1.00 0.00 C ATOM 393 CG LEU A 31 3.741 9.933 9.922 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.511 8.489 10.374 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.239 10.246 9.970 1.00 0.00 C ATOM 0 H LEU A 31 0.993 11.644 8.667 1.00 0.00 H new ATOM 0 HA LEU A 31 3.968 12.139 8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.277 9.586 8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.929 9.643 7.792 1.00 0.00 H new ATOM 0 HG LEU A 31 3.205 10.615 10.583 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.874 8.365 11.394 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.446 8.262 10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.050 7.811 9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.603 10.126 10.990 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.775 9.563 9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.407 11.272 9.643 1.00 0.00 H new ATOM 407 N SER A 32 3.725 12.331 5.975 1.00 0.00 N ATOM 408 CA SER A 32 3.521 12.539 4.519 1.00 0.00 C ATOM 409 C SER A 32 3.731 11.234 3.773 1.00 0.00 C ATOM 410 O SER A 32 4.643 10.482 4.056 1.00 0.00 O ATOM 411 CB SER A 32 4.566 13.570 4.104 1.00 0.00 C ATOM 412 OG SER A 32 5.323 13.968 5.241 1.00 0.00 O ATOM 0 H SER A 32 4.619 12.659 6.341 1.00 0.00 H new ATOM 0 HA SER A 32 2.511 12.880 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.225 13.149 3.345 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.079 14.437 3.658 1.00 0.00 H new ATOM 0 HG SER A 32 5.995 14.629 4.972 1.00 0.00 H new ATOM 418 N GLY A 33 2.896 10.962 2.814 1.00 0.00 N ATOM 419 CA GLY A 33 3.048 9.705 2.034 1.00 0.00 C ATOM 420 C GLY A 33 4.527 9.493 1.711 1.00 0.00 C ATOM 421 O GLY A 33 4.974 8.383 1.515 1.00 0.00 O ATOM 0 H GLY A 33 2.114 11.555 2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.663 8.860 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.466 9.761 1.114 1.00 0.00 H new ATOM 425 N ASP A 34 5.294 10.551 1.660 1.00 0.00 N ATOM 426 CA ASP A 34 6.747 10.399 1.352 1.00 0.00 C ATOM 427 C ASP A 34 7.452 9.630 2.475 1.00 0.00 C ATOM 428 O ASP A 34 8.509 9.067 2.282 1.00 0.00 O ATOM 429 CB ASP A 34 7.287 11.828 1.261 1.00 0.00 C ATOM 430 CG ASP A 34 6.398 12.656 0.328 1.00 0.00 C ATOM 431 OD1 ASP A 34 5.515 12.079 -0.284 1.00 0.00 O ATOM 432 OD2 ASP A 34 6.617 13.853 0.241 1.00 0.00 O ATOM 0 H ASP A 34 4.979 11.508 1.817 1.00 0.00 H new ATOM 0 HA ASP A 34 6.915 9.840 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.313 12.281 2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.311 11.817 0.889 1.00 0.00 H new ATOM 437 N LYS A 35 6.872 9.597 3.645 1.00 0.00 N ATOM 438 CA LYS A 35 7.509 8.860 4.776 1.00 0.00 C ATOM 439 C LYS A 35 6.873 7.483 4.893 1.00 0.00 C ATOM 440 O LYS A 35 7.532 6.492 5.138 1.00 0.00 O ATOM 441 CB LYS A 35 7.211 9.692 6.020 1.00 0.00 C ATOM 442 CG LYS A 35 7.373 11.174 5.690 1.00 0.00 C ATOM 443 CD LYS A 35 6.913 12.010 6.884 1.00 0.00 C ATOM 444 CE LYS A 35 7.871 11.798 8.055 1.00 0.00 C ATOM 445 NZ LYS A 35 8.818 12.945 7.993 1.00 0.00 N ATOM 0 H LYS A 35 5.985 10.048 3.867 1.00 0.00 H new ATOM 0 HA LYS A 35 8.581 8.722 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.197 9.495 6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.886 9.412 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.415 11.395 5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.787 11.428 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.882 13.065 6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.901 11.725 7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.336 11.780 9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.397 10.847 7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.653 12.738 8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.114 13.098 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.349 13.802 8.351 1.00 0.00 H new ATOM 459 N VAL A 36 5.591 7.421 4.712 1.00 0.00 N ATOM 460 CA VAL A 36 4.888 6.117 4.796 1.00 0.00 C ATOM 461 C VAL A 36 5.104 5.329 3.504 1.00 0.00 C ATOM 462 O VAL A 36 5.237 4.121 3.512 1.00 0.00 O ATOM 463 CB VAL A 36 3.415 6.472 4.947 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.597 5.188 5.048 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.219 7.322 6.204 1.00 0.00 C ATOM 0 H VAL A 36 4.994 8.222 4.508 1.00 0.00 H new ATOM 0 HA VAL A 36 5.250 5.504 5.621 1.00 0.00 H new ATOM 0 HB VAL A 36 3.082 7.043 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.541 5.437 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.739 4.594 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.925 4.615 5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.164 7.575 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.548 6.760 7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.805 8.237 6.120 1.00 0.00 H new ATOM 475 N LYS A 37 5.137 6.009 2.388 1.00 0.00 N ATOM 476 CA LYS A 37 5.339 5.301 1.092 1.00 0.00 C ATOM 477 C LYS A 37 6.515 4.328 1.200 1.00 0.00 C ATOM 478 O LYS A 37 6.366 3.152 0.932 1.00 0.00 O ATOM 479 CB LYS A 37 5.638 6.395 0.065 1.00 0.00 C ATOM 480 CG LYS A 37 6.257 5.762 -1.185 1.00 0.00 C ATOM 481 CD LYS A 37 5.871 6.577 -2.420 1.00 0.00 C ATOM 482 CE LYS A 37 6.450 5.910 -3.671 1.00 0.00 C ATOM 483 NZ LYS A 37 5.277 5.689 -4.561 1.00 0.00 N ATOM 0 H LYS A 37 5.033 7.021 2.319 1.00 0.00 H new ATOM 0 HA LYS A 37 4.464 4.716 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.722 6.924 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.320 7.131 0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.342 5.725 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.911 4.734 -1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.786 6.645 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.249 7.596 -2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.195 6.546 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.943 4.969 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.591 5.234 -5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.588 5.076 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.832 6.603 -4.782 1.00 0.00 H new ATOM 497 N PRO A 38 7.651 4.841 1.603 1.00 0.00 N ATOM 498 CA PRO A 38 8.848 3.980 1.757 1.00 0.00 C ATOM 499 C PRO A 38 8.577 2.947 2.846 1.00 0.00 C ATOM 500 O PRO A 38 9.084 1.844 2.825 1.00 0.00 O ATOM 501 CB PRO A 38 9.947 4.965 2.156 1.00 0.00 C ATOM 502 CG PRO A 38 9.219 6.131 2.738 1.00 0.00 C ATOM 503 CD PRO A 38 7.936 6.239 1.963 1.00 0.00 C ATOM 0 HA PRO A 38 9.121 3.418 0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.630 4.523 2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.545 5.262 1.294 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.023 5.980 3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.808 7.044 2.649 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.136 6.673 2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.049 6.869 1.080 1.00 0.00 H new ATOM 511 N VAL A 39 7.753 3.305 3.783 1.00 0.00 N ATOM 512 CA VAL A 39 7.394 2.365 4.881 1.00 0.00 C ATOM 513 C VAL A 39 6.320 1.393 4.389 1.00 0.00 C ATOM 514 O VAL A 39 6.010 0.408 5.029 1.00 0.00 O ATOM 515 CB VAL A 39 6.831 3.266 5.979 1.00 0.00 C ATOM 516 CG1 VAL A 39 5.940 2.454 6.917 1.00 0.00 C ATOM 517 CG2 VAL A 39 7.971 3.904 6.771 1.00 0.00 C ATOM 0 H VAL A 39 7.305 4.220 3.839 1.00 0.00 H new ATOM 0 HA VAL A 39 8.238 1.769 5.227 1.00 0.00 H new ATOM 0 HB VAL A 39 6.236 4.053 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.543 3.105 7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.115 2.021 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.525 1.656 7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.559 4.544 7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.579 3.123 7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.590 4.501 6.101 1.00 0.00 H new ATOM 527 N LEU A 40 5.753 1.662 3.256 1.00 0.00 N ATOM 528 CA LEU A 40 4.717 0.750 2.713 1.00 0.00 C ATOM 529 C LEU A 40 5.359 -0.144 1.653 1.00 0.00 C ATOM 530 O LEU A 40 4.808 -1.147 1.249 1.00 0.00 O ATOM 531 CB LEU A 40 3.669 1.664 2.083 1.00 0.00 C ATOM 532 CG LEU A 40 2.848 2.340 3.182 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.788 3.241 2.544 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.161 1.274 4.040 1.00 0.00 C ATOM 0 H LEU A 40 5.961 2.477 2.679 1.00 0.00 H new ATOM 0 HA LEU A 40 4.274 0.105 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.155 2.417 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.015 1.087 1.430 1.00 0.00 H new ATOM 0 HG LEU A 40 3.507 2.940 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.202 3.724 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.276 4.002 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.130 2.640 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.577 1.758 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.502 0.672 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.915 0.632 4.495 1.00 0.00 H new ATOM 546 N LEU A 41 6.529 0.223 1.204 1.00 0.00 N ATOM 547 CA LEU A 41 7.224 -0.588 0.171 1.00 0.00 C ATOM 548 C LEU A 41 8.092 -1.648 0.835 1.00 0.00 C ATOM 549 O LEU A 41 8.259 -2.737 0.322 1.00 0.00 O ATOM 550 CB LEU A 41 8.105 0.400 -0.584 1.00 0.00 C ATOM 551 CG LEU A 41 7.245 1.506 -1.184 1.00 0.00 C ATOM 552 CD1 LEU A 41 8.076 2.784 -1.262 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.798 1.093 -2.586 1.00 0.00 C ATOM 0 H LEU A 41 7.033 1.054 1.512 1.00 0.00 H new ATOM 0 HA LEU A 41 6.522 -1.102 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.846 0.829 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.652 -0.116 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 41 6.365 1.677 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.473 3.585 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.400 3.069 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.950 2.612 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.182 1.882 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.674 0.931 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.218 0.172 -2.526 1.00 0.00 H new ATOM 565 N ASN A 42 8.656 -1.344 1.974 1.00 0.00 N ATOM 566 CA ASN A 42 9.513 -2.351 2.649 1.00 0.00 C ATOM 567 C ASN A 42 8.667 -3.563 3.053 1.00 0.00 C ATOM 568 O ASN A 42 9.183 -4.589 3.447 1.00 0.00 O ATOM 569 CB ASN A 42 10.087 -1.643 3.879 1.00 0.00 C ATOM 570 CG ASN A 42 8.991 -1.462 4.921 1.00 0.00 C ATOM 571 OD1 ASN A 42 8.854 -2.261 5.826 1.00 0.00 O ATOM 572 ND2 ASN A 42 8.203 -0.435 4.829 1.00 0.00 N ATOM 0 H ASN A 42 8.560 -0.452 2.458 1.00 0.00 H new ATOM 0 HA ASN A 42 10.309 -2.720 2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.908 -2.226 4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.497 -0.674 3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.464 -0.296 5.518 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.322 0.233 4.067 1.00 0.00 H new ATOM 579 N SER A 43 7.367 -3.455 2.943 1.00 0.00 N ATOM 580 CA SER A 43 6.489 -4.606 3.307 1.00 0.00 C ATOM 581 C SER A 43 6.603 -5.710 2.248 1.00 0.00 C ATOM 582 O SER A 43 5.997 -6.756 2.361 1.00 0.00 O ATOM 583 CB SER A 43 5.075 -4.031 3.334 1.00 0.00 C ATOM 584 OG SER A 43 5.114 -2.711 3.860 1.00 0.00 O ATOM 0 H SER A 43 6.878 -2.621 2.618 1.00 0.00 H new ATOM 0 HA SER A 43 6.764 -5.052 4.263 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.655 -4.022 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.426 -4.659 3.945 1.00 0.00 H new ATOM 0 HG SER A 43 5.162 -2.750 4.838 1.00 0.00 H new ATOM 590 N LYS A 44 7.378 -5.481 1.219 1.00 0.00 N ATOM 591 CA LYS A 44 7.536 -6.512 0.150 1.00 0.00 C ATOM 592 C LYS A 44 6.237 -6.655 -0.653 1.00 0.00 C ATOM 593 O LYS A 44 6.054 -7.603 -1.391 1.00 0.00 O ATOM 594 CB LYS A 44 7.860 -7.814 0.886 1.00 0.00 C ATOM 595 CG LYS A 44 8.589 -8.768 -0.063 1.00 0.00 C ATOM 596 CD LYS A 44 8.485 -10.199 0.470 1.00 0.00 C ATOM 597 CE LYS A 44 9.562 -10.426 1.534 1.00 0.00 C ATOM 598 NZ LYS A 44 9.768 -11.901 1.567 1.00 0.00 N ATOM 0 H LYS A 44 7.909 -4.623 1.073 1.00 0.00 H new ATOM 0 HA LYS A 44 8.318 -6.244 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.480 -7.607 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.943 -8.277 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.154 -8.708 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.636 -8.478 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.496 -10.369 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.608 -10.912 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.485 -9.904 1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.242 -10.051 2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.494 -12.134 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.875 -12.371 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.079 -12.229 0.630 1.00 0.00 H new ATOM 612 N LEU A 45 5.337 -5.719 -0.518 1.00 0.00 N ATOM 613 CA LEU A 45 4.053 -5.796 -1.277 1.00 0.00 C ATOM 614 C LEU A 45 4.105 -4.884 -2.501 1.00 0.00 C ATOM 615 O LEU A 45 4.938 -4.003 -2.587 1.00 0.00 O ATOM 616 CB LEU A 45 2.987 -5.298 -0.304 1.00 0.00 C ATOM 617 CG LEU A 45 2.560 -6.438 0.613 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.435 -5.951 1.525 1.00 0.00 C ATOM 619 CD2 LEU A 45 2.067 -7.613 -0.235 1.00 0.00 C ATOM 0 H LEU A 45 5.434 -4.903 0.086 1.00 0.00 H new ATOM 0 HA LEU A 45 3.850 -6.806 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.378 -4.469 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.126 -4.919 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 45 3.405 -6.763 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.124 -6.762 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.789 -5.112 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.588 -5.631 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.761 -8.430 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.218 -7.294 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.871 -7.953 -0.888 1.00 0.00 H new ATOM 631 N PRO A 46 3.194 -5.116 -3.404 1.00 0.00 N ATOM 632 CA PRO A 46 3.121 -4.291 -4.629 1.00 0.00 C ATOM 633 C PRO A 46 2.519 -2.917 -4.303 1.00 0.00 C ATOM 634 O PRO A 46 1.875 -2.737 -3.288 1.00 0.00 O ATOM 635 CB PRO A 46 2.206 -5.095 -5.546 1.00 0.00 C ATOM 636 CG PRO A 46 1.370 -5.938 -4.636 1.00 0.00 C ATOM 637 CD PRO A 46 2.164 -6.161 -3.373 1.00 0.00 C ATOM 0 HA PRO A 46 4.093 -4.095 -5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.584 -4.438 -6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.784 -5.713 -6.233 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.425 -5.442 -4.413 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.127 -6.889 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.535 -6.074 -2.487 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.608 -7.156 -3.352 1.00 0.00 H new ATOM 645 N VAL A 47 2.726 -1.947 -5.152 1.00 0.00 N ATOM 646 CA VAL A 47 2.171 -0.585 -4.893 1.00 0.00 C ATOM 647 C VAL A 47 0.643 -0.620 -4.915 1.00 0.00 C ATOM 648 O VAL A 47 -0.011 0.347 -4.581 1.00 0.00 O ATOM 649 CB VAL A 47 2.710 0.292 -6.027 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.881 1.576 -6.118 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.169 0.653 -5.740 1.00 0.00 C ATOM 0 H VAL A 47 3.258 -2.039 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 47 2.462 -0.203 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 47 2.645 -0.252 -6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.265 2.200 -6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.840 1.323 -6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.948 2.120 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.555 1.277 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.230 1.198 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.763 -0.259 -5.671 1.00 0.00 H new ATOM 661 N ASP A 48 0.063 -1.730 -5.283 1.00 0.00 N ATOM 662 CA ASP A 48 -1.417 -1.816 -5.291 1.00 0.00 C ATOM 663 C ASP A 48 -1.890 -1.914 -3.852 1.00 0.00 C ATOM 664 O ASP A 48 -2.856 -1.296 -3.452 1.00 0.00 O ATOM 665 CB ASP A 48 -1.738 -3.093 -6.048 1.00 0.00 C ATOM 666 CG ASP A 48 -1.875 -2.788 -7.541 1.00 0.00 C ATOM 667 OD1 ASP A 48 -1.242 -1.850 -7.994 1.00 0.00 O ATOM 668 OD2 ASP A 48 -2.611 -3.498 -8.205 1.00 0.00 O ATOM 0 H ASP A 48 0.552 -2.576 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.900 -0.955 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.950 -3.829 -5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.663 -3.528 -5.670 1.00 0.00 H new ATOM 673 N ILE A 49 -1.182 -2.669 -3.060 1.00 0.00 N ATOM 674 CA ILE A 49 -1.556 -2.785 -1.631 1.00 0.00 C ATOM 675 C ILE A 49 -1.393 -1.414 -0.995 1.00 0.00 C ATOM 676 O ILE A 49 -2.221 -0.948 -0.239 1.00 0.00 O ATOM 677 CB ILE A 49 -0.554 -3.756 -1.009 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.437 -5.015 -1.864 1.00 0.00 C ATOM 679 CG2 ILE A 49 -1.028 -4.130 0.391 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.828 -5.533 -2.220 1.00 0.00 C ATOM 0 H ILE A 49 -0.363 -3.208 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.580 -3.132 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 49 0.424 -3.278 -0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.123 -4.797 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.119 -5.782 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.318 -4.823 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.097 -3.231 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.008 -4.603 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.736 -6.432 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.373 -5.769 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.369 -4.769 -2.778 1.00 0.00 H new ATOM 692 N LEU A 50 -0.310 -0.770 -1.321 1.00 0.00 N ATOM 693 CA LEU A 50 -0.037 0.582 -0.773 1.00 0.00 C ATOM 694 C LEU A 50 -1.068 1.573 -1.308 1.00 0.00 C ATOM 695 O LEU A 50 -1.298 2.617 -0.731 1.00 0.00 O ATOM 696 CB LEU A 50 1.367 0.931 -1.281 1.00 0.00 C ATOM 697 CG LEU A 50 2.310 -0.262 -1.089 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.756 0.236 -1.089 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.010 -0.957 0.244 1.00 0.00 C ATOM 0 H LEU A 50 0.406 -1.129 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.095 0.617 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.323 1.203 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.751 1.798 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 50 2.163 -0.973 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.432 -0.608 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.973 0.724 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.896 0.947 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.684 -1.804 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.153 -0.251 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.979 -1.311 0.246 1.00 0.00 H new ATOM 711 N GLY A 51 -1.699 1.253 -2.405 1.00 0.00 N ATOM 712 CA GLY A 51 -2.719 2.179 -2.962 1.00 0.00 C ATOM 713 C GLY A 51 -4.059 1.889 -2.293 1.00 0.00 C ATOM 714 O GLY A 51 -4.900 2.755 -2.152 1.00 0.00 O ATOM 0 H GLY A 51 -1.552 0.394 -2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.425 3.214 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.799 2.048 -4.041 1.00 0.00 H new ATOM 718 N ARG A 52 -4.256 0.672 -1.865 1.00 0.00 N ATOM 719 CA ARG A 52 -5.531 0.318 -1.193 1.00 0.00 C ATOM 720 C ARG A 52 -5.358 0.444 0.315 1.00 0.00 C ATOM 721 O ARG A 52 -6.087 1.154 0.978 1.00 0.00 O ATOM 722 CB ARG A 52 -5.797 -1.132 -1.587 1.00 0.00 C ATOM 723 CG ARG A 52 -7.222 -1.258 -2.120 1.00 0.00 C ATOM 724 CD ARG A 52 -7.662 -2.719 -2.048 1.00 0.00 C ATOM 725 NE ARG A 52 -7.825 -3.142 -3.465 1.00 0.00 N ATOM 726 CZ ARG A 52 -8.625 -4.128 -3.765 1.00 0.00 C ATOM 727 NH1 ARG A 52 -8.650 -5.199 -3.020 1.00 0.00 N ATOM 728 NH2 ARG A 52 -9.403 -4.041 -4.810 1.00 0.00 N ATOM 0 H ARG A 52 -3.586 -0.092 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.357 0.968 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.083 -1.451 -2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.660 -1.786 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.898 -0.634 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.270 -0.902 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.919 -3.330 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.596 -2.823 -1.495 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.311 -2.661 -4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.044 -5.266 -2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.276 -5.969 -3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.385 -3.203 -5.391 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.029 -4.811 -5.045 1.00 0.00 H new ATOM 742 N VAL A 53 -4.380 -0.223 0.858 1.00 0.00 N ATOM 743 CA VAL A 53 -4.149 -0.121 2.317 1.00 0.00 C ATOM 744 C VAL A 53 -4.055 1.354 2.695 1.00 0.00 C ATOM 745 O VAL A 53 -4.589 1.787 3.695 1.00 0.00 O ATOM 746 CB VAL A 53 -2.820 -0.835 2.565 1.00 0.00 C ATOM 747 CG1 VAL A 53 -2.301 -0.478 3.959 1.00 0.00 C ATOM 748 CG2 VAL A 53 -3.033 -2.348 2.472 1.00 0.00 C ATOM 0 H VAL A 53 -3.735 -0.831 0.354 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.948 -0.565 2.910 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.092 -0.522 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.354 -0.987 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.152 0.600 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.027 -0.792 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.087 -2.860 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.760 -2.660 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.404 -2.603 1.479 1.00 0.00 H new ATOM 758 N TRP A 54 -3.391 2.134 1.885 1.00 0.00 N ATOM 759 CA TRP A 54 -3.273 3.587 2.180 1.00 0.00 C ATOM 760 C TRP A 54 -4.658 4.231 2.170 1.00 0.00 C ATOM 761 O TRP A 54 -5.082 4.840 3.131 1.00 0.00 O ATOM 762 CB TRP A 54 -2.417 4.163 1.054 1.00 0.00 C ATOM 763 CG TRP A 54 -2.483 5.652 1.120 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.524 6.401 0.692 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.496 6.583 1.647 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.240 7.733 0.926 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.000 7.896 1.511 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.224 6.415 2.225 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.270 9.006 1.932 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.515 7.532 2.650 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.007 8.824 2.504 1.00 0.00 C ATOM 0 H TRP A 54 -2.926 1.825 1.031 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.831 3.772 3.159 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.385 3.825 1.152 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.777 3.811 0.087 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.429 6.021 0.241 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.869 8.502 0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.186 5.423 2.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.677 10.000 1.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.491 7.394 3.092 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.566 9.679 2.833 1.00 0.00 H new ATOM 782 N GLU A 55 -5.366 4.097 1.086 1.00 0.00 N ATOM 783 CA GLU A 55 -6.726 4.697 1.005 1.00 0.00 C ATOM 784 C GLU A 55 -7.507 4.402 2.284 1.00 0.00 C ATOM 785 O GLU A 55 -7.973 5.297 2.961 1.00 0.00 O ATOM 786 CB GLU A 55 -7.384 4.023 -0.195 1.00 0.00 C ATOM 787 CG GLU A 55 -7.032 4.790 -1.471 1.00 0.00 C ATOM 788 CD GLU A 55 -7.881 6.061 -1.553 1.00 0.00 C ATOM 789 OE1 GLU A 55 -9.037 5.955 -1.930 1.00 0.00 O ATOM 790 OE2 GLU A 55 -7.361 7.117 -1.236 1.00 0.00 O ATOM 0 H GLU A 55 -5.062 3.597 0.251 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.696 5.781 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.046 2.990 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.465 3.996 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.973 5.047 -1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.210 4.164 -2.345 1.00 0.00 H new ATOM 797 N LEU A 56 -7.647 3.154 2.625 1.00 0.00 N ATOM 798 CA LEU A 56 -8.392 2.804 3.867 1.00 0.00 C ATOM 799 C LEU A 56 -7.554 3.179 5.095 1.00 0.00 C ATOM 800 O LEU A 56 -8.030 3.173 6.214 1.00 0.00 O ATOM 801 CB LEU A 56 -8.606 1.290 3.798 1.00 0.00 C ATOM 802 CG LEU A 56 -9.276 0.920 2.471 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.570 -0.298 1.880 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.756 0.588 2.708 1.00 0.00 C ATOM 0 H LEU A 56 -7.279 2.361 2.100 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.340 3.337 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.650 0.774 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.226 0.963 4.633 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.206 1.761 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.041 -0.568 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.520 -0.062 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.645 -1.135 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.226 0.326 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.834 -0.253 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.260 1.455 3.135 1.00 0.00 H new ATOM 816 N SER A 57 -6.307 3.509 4.888 1.00 0.00 N ATOM 817 CA SER A 57 -5.425 3.893 6.030 1.00 0.00 C ATOM 818 C SER A 57 -5.370 5.413 6.168 1.00 0.00 C ATOM 819 O SER A 57 -5.084 5.943 7.223 1.00 0.00 O ATOM 820 CB SER A 57 -4.051 3.352 5.664 1.00 0.00 C ATOM 821 OG SER A 57 -4.013 1.960 5.936 1.00 0.00 O ATOM 0 H SER A 57 -5.859 3.529 3.972 1.00 0.00 H new ATOM 0 HA SER A 57 -5.786 3.496 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.843 3.535 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.279 3.868 6.235 1.00 0.00 H new ATOM 0 HG SER A 57 -3.930 1.464 5.095 1.00 0.00 H new ATOM 827 N ASP A 58 -5.647 6.119 5.107 1.00 0.00 N ATOM 828 CA ASP A 58 -5.617 7.604 5.173 1.00 0.00 C ATOM 829 C ASP A 58 -7.012 8.129 5.486 1.00 0.00 C ATOM 830 O ASP A 58 -7.711 8.623 4.624 1.00 0.00 O ATOM 831 CB ASP A 58 -5.160 8.061 3.787 1.00 0.00 C ATOM 832 CG ASP A 58 -4.411 9.389 3.911 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.759 10.162 4.788 1.00 0.00 O ATOM 834 OD2 ASP A 58 -3.502 9.609 3.128 1.00 0.00 O ATOM 0 H ASP A 58 -5.893 5.730 4.197 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.951 7.975 5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.514 7.307 3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.021 8.176 3.128 1.00 0.00 H new ATOM 839 N ILE A 59 -7.420 8.016 6.715 1.00 0.00 N ATOM 840 CA ILE A 59 -8.775 8.497 7.101 1.00 0.00 C ATOM 841 C ILE A 59 -9.077 9.832 6.418 1.00 0.00 C ATOM 842 O ILE A 59 -10.210 10.130 6.091 1.00 0.00 O ATOM 843 CB ILE A 59 -8.719 8.672 8.615 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.416 7.324 9.286 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.061 9.206 9.108 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.408 6.261 8.806 1.00 0.00 C ATOM 0 H ILE A 59 -6.873 7.610 7.474 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.559 7.802 6.801 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.929 9.378 8.871 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.398 7.014 9.052 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.477 7.427 10.369 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.027 9.333 10.190 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.266 10.167 8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.850 8.500 8.850 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.183 5.310 9.288 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.422 6.567 9.062 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.326 6.148 7.725 1.00 0.00 H new ATOM 858 N ASP A 60 -8.075 10.637 6.204 1.00 0.00 N ATOM 859 CA ASP A 60 -8.309 11.957 5.544 1.00 0.00 C ATOM 860 C ASP A 60 -8.098 11.851 4.030 1.00 0.00 C ATOM 861 O ASP A 60 -8.596 12.657 3.269 1.00 0.00 O ATOM 862 CB ASP A 60 -7.271 12.898 6.159 1.00 0.00 C ATOM 863 CG ASP A 60 -7.404 12.879 7.682 1.00 0.00 C ATOM 864 OD1 ASP A 60 -8.441 12.448 8.162 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.469 13.296 8.344 1.00 0.00 O ATOM 0 H ASP A 60 -7.106 10.442 6.456 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.329 12.311 5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.267 12.590 5.867 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.415 13.911 5.783 1.00 0.00 H new ATOM 870 N HIS A 61 -7.361 10.871 3.586 1.00 0.00 N ATOM 871 CA HIS A 61 -7.117 10.728 2.122 1.00 0.00 C ATOM 872 C HIS A 61 -6.523 12.024 1.569 1.00 0.00 C ATOM 873 O HIS A 61 -6.914 12.499 0.523 1.00 0.00 O ATOM 874 CB HIS A 61 -8.494 10.470 1.510 1.00 0.00 C ATOM 875 CG HIS A 61 -8.872 9.028 1.705 1.00 0.00 C ATOM 876 ND1 HIS A 61 -8.653 8.068 0.730 1.00 0.00 N ATOM 877 CD2 HIS A 61 -9.458 8.367 2.757 1.00 0.00 C ATOM 878 CE1 HIS A 61 -9.104 6.894 1.211 1.00 0.00 C ATOM 879 NE2 HIS A 61 -9.604 7.019 2.441 1.00 0.00 N ATOM 0 H HIS A 61 -6.917 10.164 4.172 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.416 9.925 1.894 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.237 11.117 1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.482 10.712 0.447 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -8.228 8.222 -0.184 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -9.760 8.824 3.688 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.065 5.962 0.666 1.00 0.00 H new ATOM 887 N ASP A 62 -5.594 12.607 2.277 1.00 0.00 N ATOM 888 CA ASP A 62 -4.988 13.885 1.805 1.00 0.00 C ATOM 889 C ASP A 62 -3.516 13.683 1.419 1.00 0.00 C ATOM 890 O ASP A 62 -2.826 14.618 1.068 1.00 0.00 O ATOM 891 CB ASP A 62 -5.113 14.828 3.004 1.00 0.00 C ATOM 892 CG ASP A 62 -3.997 14.539 4.014 1.00 0.00 C ATOM 893 OD1 ASP A 62 -4.159 13.620 4.800 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.000 15.240 3.982 1.00 0.00 O ATOM 0 H ASP A 62 -5.229 12.254 3.161 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.482 14.276 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.054 15.864 2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.086 14.701 3.478 1.00 0.00 H new ATOM 899 N GLY A 63 -3.030 12.475 1.482 1.00 0.00 N ATOM 900 CA GLY A 63 -1.605 12.228 1.121 1.00 0.00 C ATOM 901 C GLY A 63 -0.776 12.050 2.397 1.00 0.00 C ATOM 902 O GLY A 63 0.429 11.911 2.349 1.00 0.00 O ATOM 0 H GLY A 63 -3.556 11.649 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.526 11.338 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.217 13.062 0.537 1.00 0.00 H new ATOM 906 N MET A 64 -1.413 12.059 3.538 1.00 0.00 N ATOM 907 CA MET A 64 -0.663 11.895 4.814 1.00 0.00 C ATOM 908 C MET A 64 -1.361 10.884 5.730 1.00 0.00 C ATOM 909 O MET A 64 -2.536 10.609 5.592 1.00 0.00 O ATOM 910 CB MET A 64 -0.674 13.285 5.443 1.00 0.00 C ATOM 911 CG MET A 64 0.662 13.958 5.163 1.00 0.00 C ATOM 912 SD MET A 64 0.622 15.678 5.711 1.00 0.00 S ATOM 913 CE MET A 64 2.411 15.870 5.894 1.00 0.00 C ATOM 0 H MET A 64 -2.421 12.173 3.640 1.00 0.00 H new ATOM 0 HA MET A 64 0.347 11.517 4.654 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.490 13.879 5.032 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.843 13.212 6.517 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.461 13.424 5.677 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.883 13.914 4.097 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.625 16.804 6.414 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.810 15.034 6.469 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.878 15.888 4.909 1.00 0.00 H new ATOM 923 N LEU A 65 -0.639 10.333 6.671 1.00 0.00 N ATOM 924 CA LEU A 65 -1.250 9.343 7.607 1.00 0.00 C ATOM 925 C LEU A 65 -1.042 9.797 9.052 1.00 0.00 C ATOM 926 O LEU A 65 0.064 9.791 9.557 1.00 0.00 O ATOM 927 CB LEU A 65 -0.484 8.036 7.370 1.00 0.00 C ATOM 928 CG LEU A 65 -1.113 7.249 6.220 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.496 5.849 6.164 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.619 7.126 6.444 1.00 0.00 C ATOM 0 H LEU A 65 0.349 10.526 6.832 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.321 9.233 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.559 8.255 7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.491 7.433 8.278 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.926 7.772 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.944 5.287 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.579 5.931 6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.683 5.331 7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.064 6.565 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.806 6.605 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.063 8.121 6.486 1.00 0.00 H new ATOM 942 N ASP A 66 -2.085 10.184 9.731 1.00 0.00 N ATOM 943 CA ASP A 66 -1.915 10.622 11.142 1.00 0.00 C ATOM 944 C ASP A 66 -1.634 9.408 12.031 1.00 0.00 C ATOM 945 O ASP A 66 -1.693 8.273 11.599 1.00 0.00 O ATOM 946 CB ASP A 66 -3.238 11.297 11.526 1.00 0.00 C ATOM 947 CG ASP A 66 -3.425 11.269 13.045 1.00 0.00 C ATOM 948 OD1 ASP A 66 -2.669 11.942 13.726 1.00 0.00 O ATOM 949 OD2 ASP A 66 -4.319 10.577 13.499 1.00 0.00 O ATOM 0 H ASP A 66 -3.040 10.216 9.373 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.076 11.307 11.266 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.246 12.327 11.170 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.070 10.786 11.041 1.00 0.00 H new ATOM 954 N ARG A 67 -1.317 9.650 13.266 1.00 0.00 N ATOM 955 CA ARG A 67 -1.012 8.528 14.208 1.00 0.00 C ATOM 956 C ARG A 67 -2.097 7.445 14.155 1.00 0.00 C ATOM 957 O ARG A 67 -1.810 6.267 14.242 1.00 0.00 O ATOM 958 CB ARG A 67 -0.966 9.160 15.604 1.00 0.00 C ATOM 959 CG ARG A 67 -2.039 10.246 15.725 1.00 0.00 C ATOM 960 CD ARG A 67 -2.696 10.177 17.105 1.00 0.00 C ATOM 961 NE ARG A 67 -2.736 11.587 17.581 1.00 0.00 N ATOM 962 CZ ARG A 67 -3.373 11.891 18.679 1.00 0.00 C ATOM 963 NH1 ARG A 67 -2.858 11.583 19.839 1.00 0.00 N ATOM 964 NH2 ARG A 67 -4.525 12.500 18.617 1.00 0.00 N ATOM 0 H ARG A 67 -1.254 10.583 13.674 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.073 8.042 13.945 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.125 8.395 16.364 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.019 9.589 15.785 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.593 11.229 15.574 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.791 10.114 14.947 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.698 9.752 17.045 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.122 9.547 17.785 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.264 12.317 17.048 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.958 11.105 19.887 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.356 11.820 20.697 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.928 12.738 17.711 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.023 12.738 19.475 1.00 0.00 H new ATOM 978 N ASP A 68 -3.336 7.826 14.023 1.00 0.00 N ATOM 979 CA ASP A 68 -4.424 6.804 13.979 1.00 0.00 C ATOM 980 C ASP A 68 -4.615 6.297 12.550 1.00 0.00 C ATOM 981 O ASP A 68 -4.973 5.158 12.324 1.00 0.00 O ATOM 982 CB ASP A 68 -5.677 7.531 14.467 1.00 0.00 C ATOM 983 CG ASP A 68 -5.780 7.417 15.989 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.875 6.301 16.474 1.00 0.00 O ATOM 985 OD2 ASP A 68 -5.765 8.446 16.644 1.00 0.00 O ATOM 0 H ASP A 68 -3.644 8.795 13.944 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.197 5.934 14.595 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.638 8.580 14.173 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.563 7.102 14.000 1.00 0.00 H new ATOM 990 N GLU A 69 -4.370 7.131 11.585 1.00 0.00 N ATOM 991 CA GLU A 69 -4.529 6.696 10.173 1.00 0.00 C ATOM 992 C GLU A 69 -3.355 5.811 9.776 1.00 0.00 C ATOM 993 O GLU A 69 -3.517 4.793 9.133 1.00 0.00 O ATOM 994 CB GLU A 69 -4.524 7.984 9.364 1.00 0.00 C ATOM 995 CG GLU A 69 -5.522 8.962 9.978 1.00 0.00 C ATOM 996 CD GLU A 69 -5.687 10.166 9.052 1.00 0.00 C ATOM 997 OE1 GLU A 69 -6.147 9.970 7.939 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.348 11.263 9.469 1.00 0.00 O ATOM 0 H GLU A 69 -4.066 8.096 11.712 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.439 6.119 10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.525 8.420 9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.789 7.778 8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.483 8.471 10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.173 9.288 10.958 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.170 6.185 10.167 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.989 5.356 9.822 1.00 0.00 C ATOM 1007 C PHE A 70 -1.134 3.988 10.474 1.00 0.00 C ATOM 1008 O PHE A 70 -0.689 2.992 9.951 1.00 0.00 O ATOM 1009 CB PHE A 70 0.218 6.100 10.400 1.00 0.00 C ATOM 1010 CG PHE A 70 1.487 5.364 10.032 1.00 0.00 C ATOM 1011 CD1 PHE A 70 1.981 4.357 10.871 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.166 5.687 8.852 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.155 3.675 10.529 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.339 5.005 8.511 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.832 4.000 9.347 1.00 0.00 C ATOM 0 H PHE A 70 -1.971 7.026 10.709 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.882 5.205 8.748 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.250 7.119 10.013 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.129 6.173 11.484 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.457 4.107 11.781 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.785 6.463 8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.538 2.899 11.176 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.864 5.256 7.601 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.736 3.473 9.081 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.771 3.936 11.613 1.00 0.00 N ATOM 1026 CA ALA A 71 -1.954 2.624 12.304 1.00 0.00 C ATOM 1027 C ALA A 71 -2.744 1.671 11.409 1.00 0.00 C ATOM 1028 O ALA A 71 -2.371 0.530 11.199 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.752 2.950 13.565 1.00 0.00 C ATOM 0 H ALA A 71 -2.172 4.741 12.094 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.005 2.140 12.535 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.929 2.035 14.130 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.190 3.653 14.179 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.707 3.395 13.286 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.836 2.143 10.888 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.682 1.294 10.005 1.00 0.00 C ATOM 1037 C VAL A 72 -3.868 0.789 8.809 1.00 0.00 C ATOM 1038 O VAL A 72 -4.188 -0.217 8.206 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.799 2.232 9.545 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.745 1.492 8.596 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.580 2.728 10.766 1.00 0.00 C ATOM 0 H VAL A 72 -4.185 3.090 11.036 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.065 0.408 10.511 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.362 3.081 9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.538 2.167 8.273 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.188 1.143 7.726 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.184 0.638 9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.377 3.397 10.441 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.013 1.877 11.292 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.907 3.264 11.435 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.825 1.488 8.452 1.00 0.00 N ATOM 1052 CA ALA A 73 -2.003 1.057 7.283 1.00 0.00 C ATOM 1053 C ALA A 73 -0.866 0.123 7.700 1.00 0.00 C ATOM 1054 O ALA A 73 -0.162 -0.407 6.863 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.439 2.354 6.710 1.00 0.00 C ATOM 0 H ALA A 73 -2.506 2.338 8.918 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.599 0.497 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.819 2.129 5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.259 3.006 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.836 2.854 7.467 1.00 0.00 H new ATOM 1061 N MET A 74 -0.662 -0.088 8.970 1.00 0.00 N ATOM 1062 CA MET A 74 0.452 -0.997 9.372 1.00 0.00 C ATOM 1063 C MET A 74 -0.052 -2.432 9.471 1.00 0.00 C ATOM 1064 O MET A 74 0.586 -3.352 9.000 1.00 0.00 O ATOM 1065 CB MET A 74 0.956 -0.487 10.726 1.00 0.00 C ATOM 1066 CG MET A 74 1.094 1.048 10.727 1.00 0.00 C ATOM 1067 SD MET A 74 1.518 1.682 9.072 1.00 0.00 S ATOM 1068 CE MET A 74 3.008 0.696 8.796 1.00 0.00 C ATOM 0 H MET A 74 -1.203 0.318 9.733 1.00 0.00 H new ATOM 0 HA MET A 74 1.259 -0.997 8.639 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.266 -0.793 11.513 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.920 -0.942 10.953 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.159 1.498 11.062 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.864 1.345 11.440 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.779 1.320 8.344 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.368 0.307 9.748 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.776 -0.135 8.129 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.202 -2.640 10.047 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.727 -4.030 10.122 1.00 0.00 C ATOM 1080 C PHE A 75 -2.280 -4.404 8.747 1.00 0.00 C ATOM 1081 O PHE A 75 -2.285 -5.552 8.351 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.820 -4.011 11.200 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.158 -3.648 10.602 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.516 -2.304 10.453 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -5.040 -4.656 10.202 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -5.758 -1.970 9.905 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -6.282 -4.323 9.652 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.642 -2.979 9.505 1.00 0.00 C ATOM 0 H PHE A 75 -1.793 -1.920 10.463 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.969 -4.768 10.383 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.883 -4.989 11.677 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.558 -3.294 11.977 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.834 -1.525 10.761 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.762 -5.693 10.318 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.036 -0.933 9.790 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.962 -5.102 9.341 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.602 -2.720 9.083 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.717 -3.420 8.007 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.239 -3.686 6.642 1.00 0.00 C ATOM 1100 C LEU A 76 -2.080 -4.100 5.737 1.00 0.00 C ATOM 1101 O LEU A 76 -2.252 -4.817 4.771 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.834 -2.354 6.185 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.330 -2.327 6.495 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.923 -0.993 6.038 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -6.019 -3.474 5.752 1.00 0.00 C ATOM 0 H LEU A 76 -2.733 -2.441 8.293 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.979 -4.486 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.333 -1.528 6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.672 -2.220 5.116 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.484 -2.441 7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.990 -0.974 6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.429 -0.176 6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.773 -0.877 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.087 -3.459 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.866 -3.357 4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.596 -4.424 6.077 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.894 -3.652 6.052 1.00 0.00 N ATOM 1118 CA VAL A 77 0.291 -4.014 5.226 1.00 0.00 C ATOM 1119 C VAL A 77 0.956 -5.274 5.772 1.00 0.00 C ATOM 1120 O VAL A 77 1.504 -6.061 5.030 1.00 0.00 O ATOM 1121 CB VAL A 77 1.234 -2.816 5.339 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.631 -3.213 4.850 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.702 -1.665 4.482 1.00 0.00 C ATOM 0 H VAL A 77 -0.696 -3.048 6.850 1.00 0.00 H new ATOM 0 HA VAL A 77 0.021 -4.225 4.191 1.00 0.00 H new ATOM 0 HB VAL A 77 1.292 -2.498 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.302 -2.358 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.011 -4.032 5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.575 -3.532 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.374 -0.811 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.643 -1.983 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.290 -1.380 4.831 1.00 0.00 H new ATOM 1133 N TYR A 78 0.920 -5.475 7.062 1.00 0.00 N ATOM 1134 CA TYR A 78 1.562 -6.692 7.632 1.00 0.00 C ATOM 1135 C TYR A 78 0.623 -7.890 7.500 1.00 0.00 C ATOM 1136 O TYR A 78 1.056 -9.007 7.298 1.00 0.00 O ATOM 1137 CB TYR A 78 1.834 -6.362 9.098 1.00 0.00 C ATOM 1138 CG TYR A 78 3.285 -5.975 9.240 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.285 -6.844 8.783 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.634 -4.747 9.812 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.632 -6.485 8.901 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.982 -4.386 9.927 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.981 -5.255 9.471 1.00 0.00 C ATOM 1144 OH TYR A 78 7.309 -4.899 9.582 1.00 0.00 O ATOM 0 H TYR A 78 0.478 -4.854 7.740 1.00 0.00 H new ATOM 0 HA TYR A 78 2.482 -6.956 7.111 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.190 -5.547 9.428 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.608 -7.222 9.728 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.016 -7.791 8.340 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.864 -4.077 10.165 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.402 -7.157 8.552 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.251 -3.437 10.367 1.00 0.00 H new ATOM 0 HH TYR A 78 7.377 -4.015 9.999 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.659 -7.669 7.585 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.608 -8.804 7.432 1.00 0.00 C ATOM 1156 C CYS A 79 -1.686 -9.167 5.954 1.00 0.00 C ATOM 1157 O CYS A 79 -2.054 -10.264 5.587 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.957 -8.286 7.934 1.00 0.00 C ATOM 1159 SG CYS A 79 -2.922 -8.144 9.737 1.00 0.00 S ATOM 0 H CYS A 79 -1.087 -6.759 7.753 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.305 -9.692 7.986 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.174 -7.316 7.487 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.754 -8.963 7.628 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.620 -6.924 10.070 1.00 0.00 H new ATOM 1165 N ALA A 80 -1.303 -8.261 5.098 1.00 0.00 N ATOM 1166 CA ALA A 80 -1.321 -8.577 3.653 1.00 0.00 C ATOM 1167 C ALA A 80 -0.190 -9.560 3.384 1.00 0.00 C ATOM 1168 O ALA A 80 -0.148 -10.232 2.372 1.00 0.00 O ATOM 1169 CB ALA A 80 -1.081 -7.245 2.944 1.00 0.00 C ATOM 0 H ALA A 80 -0.981 -7.324 5.339 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.253 -9.026 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.081 -7.402 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.873 -6.544 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.118 -6.838 3.251 1.00 0.00 H new ATOM 1175 N LEU A 81 0.721 -9.648 4.313 1.00 0.00 N ATOM 1176 CA LEU A 81 1.862 -10.581 4.170 1.00 0.00 C ATOM 1177 C LEU A 81 1.503 -11.936 4.783 1.00 0.00 C ATOM 1178 O LEU A 81 1.782 -12.980 4.226 1.00 0.00 O ATOM 1179 CB LEU A 81 2.994 -9.941 4.977 1.00 0.00 C ATOM 1180 CG LEU A 81 3.013 -8.429 4.756 1.00 0.00 C ATOM 1181 CD1 LEU A 81 4.337 -7.857 5.261 1.00 0.00 C ATOM 1182 CD2 LEU A 81 2.864 -8.127 3.265 1.00 0.00 C ATOM 0 H LEU A 81 0.719 -9.103 5.175 1.00 0.00 H new ATOM 0 HA LEU A 81 2.132 -10.746 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.863 -10.159 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.950 -10.371 4.679 1.00 0.00 H new ATOM 0 HG LEU A 81 2.187 -7.973 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.351 -6.779 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.443 -8.070 6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.163 -8.314 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.878 -7.048 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.688 -8.583 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.919 -8.534 2.904 1.00 0.00 H new ATOM 1194 N GLU A 82 0.905 -11.918 5.945 1.00 0.00 N ATOM 1195 CA GLU A 82 0.545 -13.197 6.628 1.00 0.00 C ATOM 1196 C GLU A 82 -0.937 -13.238 7.010 1.00 0.00 C ATOM 1197 O GLU A 82 -1.296 -13.775 8.038 1.00 0.00 O ATOM 1198 CB GLU A 82 1.399 -13.215 7.896 1.00 0.00 C ATOM 1199 CG GLU A 82 1.370 -11.835 8.560 1.00 0.00 C ATOM 1200 CD GLU A 82 1.387 -11.999 10.084 1.00 0.00 C ATOM 1201 OE1 GLU A 82 0.598 -12.783 10.584 1.00 0.00 O ATOM 1202 OE2 GLU A 82 2.190 -11.338 10.722 1.00 0.00 O ATOM 0 H GLU A 82 0.649 -11.071 6.452 1.00 0.00 H new ATOM 0 HA GLU A 82 0.721 -14.053 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.024 -13.969 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.425 -13.489 7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.229 -11.247 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.477 -11.291 8.252 1.00 0.00 H new ATOM 1209 N LYS A 83 -1.805 -12.688 6.210 1.00 0.00 N ATOM 1210 CA LYS A 83 -3.252 -12.727 6.572 1.00 0.00 C ATOM 1211 C LYS A 83 -4.122 -12.838 5.321 1.00 0.00 C ATOM 1212 O LYS A 83 -4.747 -13.851 5.074 1.00 0.00 O ATOM 1213 CB LYS A 83 -3.522 -11.416 7.305 1.00 0.00 C ATOM 1214 CG LYS A 83 -4.389 -11.688 8.534 1.00 0.00 C ATOM 1215 CD LYS A 83 -3.545 -12.366 9.615 1.00 0.00 C ATOM 1216 CE LYS A 83 -3.677 -11.592 10.928 1.00 0.00 C ATOM 1217 NZ LYS A 83 -4.246 -12.571 11.899 1.00 0.00 N ATOM 0 H LYS A 83 -1.582 -12.219 5.332 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.490 -13.592 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.581 -10.955 7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.024 -10.713 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.803 -10.754 8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.232 -12.324 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.873 -13.396 9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.500 -12.402 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.710 -11.219 11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.330 -10.727 10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.366 -12.112 12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.170 -12.904 11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.600 -13.381 11.995 1.00 0.00 H new ATOM 1231 N GLU A 84 -4.176 -11.804 4.535 1.00 0.00 N ATOM 1232 CA GLU A 84 -5.015 -11.851 3.305 1.00 0.00 C ATOM 1233 C GLU A 84 -4.851 -10.559 2.504 1.00 0.00 C ATOM 1234 O GLU A 84 -4.161 -9.656 2.922 1.00 0.00 O ATOM 1235 CB GLU A 84 -6.446 -11.972 3.826 1.00 0.00 C ATOM 1236 CG GLU A 84 -6.971 -13.386 3.571 1.00 0.00 C ATOM 1237 CD GLU A 84 -8.467 -13.326 3.257 1.00 0.00 C ATOM 1238 OE1 GLU A 84 -8.992 -12.227 3.184 1.00 0.00 O ATOM 1239 OE2 GLU A 84 -9.062 -14.378 3.095 1.00 0.00 O ATOM 0 H GLU A 84 -3.677 -10.928 4.689 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.741 -12.672 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.475 -11.750 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.086 -11.242 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.432 -13.841 2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.797 -14.013 4.445 1.00 0.00 H new ATOM 1246 N PRO A 85 -5.507 -10.511 1.379 1.00 0.00 N ATOM 1247 CA PRO A 85 -5.439 -9.307 0.519 1.00 0.00 C ATOM 1248 C PRO A 85 -6.187 -8.153 1.192 1.00 0.00 C ATOM 1249 O PRO A 85 -6.856 -8.341 2.189 1.00 0.00 O ATOM 1250 CB PRO A 85 -6.132 -9.746 -0.769 1.00 0.00 C ATOM 1251 CG PRO A 85 -7.034 -10.866 -0.357 1.00 0.00 C ATOM 1252 CD PRO A 85 -6.370 -11.551 0.810 1.00 0.00 C ATOM 0 HA PRO A 85 -4.425 -8.951 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.697 -8.926 -1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.408 -10.075 -1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.017 -10.488 -0.075 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.185 -11.564 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -7.102 -11.905 1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.793 -12.419 0.490 1.00 0.00 H new ATOM 1260 N VAL A 86 -6.082 -6.965 0.669 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.792 -5.817 1.302 1.00 0.00 C ATOM 1262 C VAL A 86 -7.905 -5.315 0.385 1.00 0.00 C ATOM 1263 O VAL A 86 -7.686 -5.087 -0.788 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.727 -4.737 1.485 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -6.377 -3.485 2.079 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.639 -5.245 2.433 1.00 0.00 C ATOM 0 H VAL A 86 -5.539 -6.738 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.256 -6.095 2.248 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.281 -4.497 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.621 -2.711 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.153 -3.123 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.820 -3.728 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.880 -4.473 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.082 -5.485 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.179 -6.140 2.013 1.00 0.00 H new ATOM 1276 N PRO A 87 -9.068 -5.153 0.952 1.00 0.00 N ATOM 1277 CA PRO A 87 -10.222 -4.666 0.179 1.00 0.00 C ATOM 1278 C PRO A 87 -10.191 -3.138 0.128 1.00 0.00 C ATOM 1279 O PRO A 87 -9.417 -2.507 0.818 1.00 0.00 O ATOM 1280 CB PRO A 87 -11.419 -5.161 0.980 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.923 -5.322 2.388 1.00 0.00 C ATOM 1282 CD PRO A 87 -9.413 -5.405 2.351 1.00 0.00 C ATOM 0 HA PRO A 87 -10.241 -5.014 -0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -12.243 -4.449 0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.791 -6.106 0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -11.242 -4.480 3.002 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -11.342 -6.222 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.958 -4.667 3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -9.061 -6.384 2.677 1.00 0.00 H new ATOM 1290 N MET A 88 -11.015 -2.533 -0.677 1.00 0.00 N ATOM 1291 CA MET A 88 -11.007 -1.043 -0.749 1.00 0.00 C ATOM 1292 C MET A 88 -12.129 -0.468 0.104 1.00 0.00 C ATOM 1293 O MET A 88 -12.472 0.692 -0.012 1.00 0.00 O ATOM 1294 CB MET A 88 -11.283 -0.681 -2.203 1.00 0.00 C ATOM 1295 CG MET A 88 -10.669 -1.717 -3.147 1.00 0.00 C ATOM 1296 SD MET A 88 -10.859 -1.161 -4.859 1.00 0.00 S ATOM 1297 CE MET A 88 -12.149 -2.338 -5.334 1.00 0.00 C ATOM 0 H MET A 88 -11.689 -2.998 -1.285 1.00 0.00 H new ATOM 0 HA MET A 88 -10.056 -0.648 -0.393 1.00 0.00 H new ATOM 0 HB2 MET A 88 -12.359 -0.623 -2.370 1.00 0.00 H new ATOM 0 HB3 MET A 88 -10.872 0.305 -2.421 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.613 -1.857 -2.914 1.00 0.00 H new ATOM 0 HG3 MET A 88 -11.156 -2.683 -3.011 1.00 0.00 H new ATOM 0 HE1 MET A 88 -12.866 -1.846 -5.992 1.00 0.00 H new ATOM 0 HE2 MET A 88 -11.697 -3.182 -5.856 1.00 0.00 H new ATOM 0 HE3 MET A 88 -12.662 -2.696 -4.441 1.00 0.00 H new ATOM 1307 N SER A 89 -12.731 -1.264 0.932 1.00 0.00 N ATOM 1308 CA SER A 89 -13.857 -0.733 1.741 1.00 0.00 C ATOM 1309 C SER A 89 -13.484 -0.580 3.207 1.00 0.00 C ATOM 1310 O SER A 89 -13.443 -1.533 3.958 1.00 0.00 O ATOM 1311 CB SER A 89 -14.966 -1.755 1.599 1.00 0.00 C ATOM 1312 OG SER A 89 -15.425 -1.774 0.254 1.00 0.00 O ATOM 0 H SER A 89 -12.499 -2.245 1.084 1.00 0.00 H new ATOM 0 HA SER A 89 -14.146 0.259 1.394 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.603 -2.742 1.885 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.788 -1.511 2.271 1.00 0.00 H new ATOM 0 HG SER A 89 -16.141 -2.437 0.162 1.00 0.00 H new ATOM 1318 N LEU A 90 -13.245 0.621 3.618 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.905 0.863 5.050 1.00 0.00 C ATOM 1320 C LEU A 90 -13.965 0.206 5.938 1.00 0.00 C ATOM 1321 O LEU A 90 -15.075 0.690 6.035 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.937 2.383 5.216 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.521 2.902 5.465 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -11.551 4.426 5.595 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -10.974 2.291 6.757 1.00 0.00 C ATOM 0 H LEU A 90 -13.268 1.454 3.030 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.936 0.449 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -13.354 2.848 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.586 2.654 6.048 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.879 2.621 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.541 4.796 5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -11.941 4.862 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -12.193 4.707 6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.964 2.661 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.616 2.571 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.952 1.205 6.665 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.592 -0.883 6.554 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.535 -1.612 7.434 1.00 0.00 C ATOM 1339 C PRO A 91 -14.772 -0.831 8.731 1.00 0.00 C ATOM 1340 O PRO A 91 -13.915 -0.101 9.187 1.00 0.00 O ATOM 1341 CB PRO A 91 -13.830 -2.939 7.699 1.00 0.00 C ATOM 1342 CG PRO A 91 -12.375 -2.660 7.488 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.275 -1.529 6.494 1.00 0.00 C ATOM 0 HA PRO A 91 -15.520 -1.750 6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.020 -3.290 8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.184 -3.715 7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -11.895 -2.389 8.428 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.864 -3.547 7.114 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.478 -0.835 6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -12.057 -1.897 5.492 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.947 -1.009 9.272 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.336 -0.310 10.525 1.00 0.00 C ATOM 1353 C PRO A 92 -15.560 -0.857 11.723 1.00 0.00 C ATOM 1354 O PRO A 92 -15.641 -0.339 12.820 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.822 -0.622 10.658 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.017 -1.891 9.893 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.016 -1.879 8.772 1.00 0.00 C ATOM 0 HA PRO A 92 -16.123 0.759 10.496 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.109 -0.742 11.703 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.433 0.183 10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.866 -2.758 10.537 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.033 -1.956 9.504 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.648 -2.881 8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.451 -1.491 7.851 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.796 -1.886 11.516 1.00 0.00 N ATOM 1366 CA ALA A 93 -13.993 -2.458 12.633 1.00 0.00 C ATOM 1367 C ALA A 93 -12.567 -1.956 12.487 1.00 0.00 C ATOM 1368 O ALA A 93 -11.617 -2.577 12.921 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.047 -3.973 12.438 1.00 0.00 C ATOM 0 H ALA A 93 -14.690 -2.360 10.619 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.362 -2.178 13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.475 -4.462 13.227 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.083 -4.308 12.480 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.621 -4.230 11.468 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.420 -0.839 11.837 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.072 -0.280 11.600 1.00 0.00 C ATOM 1377 C LEU A 94 -11.196 1.231 11.328 1.00 0.00 C ATOM 1378 O LEU A 94 -10.465 1.812 10.560 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.602 -1.091 10.379 1.00 0.00 C ATOM 1380 CG LEU A 94 -9.369 -0.499 9.689 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -9.835 0.436 8.576 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -8.476 0.255 10.684 1.00 0.00 C ATOM 0 H LEU A 94 -13.188 -0.286 11.457 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.369 -0.358 12.429 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.378 -2.110 10.694 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.417 -1.153 9.658 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.772 -1.310 9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.968 0.866 8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.430 -0.125 7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.441 1.236 9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.611 0.662 10.161 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.042 1.069 11.136 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.140 -0.430 11.463 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.134 1.875 11.970 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.310 3.343 11.761 1.00 0.00 C ATOM 1396 C VAL A 95 -12.425 4.061 13.105 1.00 0.00 C ATOM 1397 O VAL A 95 -13.206 3.673 13.950 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.622 3.511 10.979 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -13.326 3.585 9.481 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -14.572 2.341 11.262 1.00 0.00 C ATOM 0 H VAL A 95 -12.785 1.449 12.629 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.460 3.766 11.226 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.102 4.435 11.300 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -14.260 3.704 8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -12.675 4.436 9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -12.832 2.667 9.162 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -15.495 2.478 10.699 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -14.098 1.407 10.960 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.798 2.306 12.328 1.00 0.00 H new ATOM 1410 N PRO A 96 -11.660 5.109 13.250 1.00 0.00 N ATOM 1411 CA PRO A 96 -11.706 5.909 14.495 1.00 0.00 C ATOM 1412 C PRO A 96 -13.059 6.621 14.582 1.00 0.00 C ATOM 1413 O PRO A 96 -13.858 6.539 13.671 1.00 0.00 O ATOM 1414 CB PRO A 96 -10.551 6.895 14.332 1.00 0.00 C ATOM 1415 CG PRO A 96 -10.338 6.993 12.856 1.00 0.00 C ATOM 1416 CD PRO A 96 -10.693 5.646 12.284 1.00 0.00 C ATOM 0 HA PRO A 96 -11.607 5.324 15.409 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -10.796 7.866 14.762 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.653 6.540 14.838 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.963 7.775 12.425 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.303 7.251 12.629 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.127 5.734 11.288 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.817 5.004 12.194 1.00 0.00 H new ATOM 1424 N PRO A 97 -13.287 7.280 15.682 1.00 0.00 N ATOM 1425 CA PRO A 97 -14.576 7.984 15.883 1.00 0.00 C ATOM 1426 C PRO A 97 -14.670 9.237 15.006 1.00 0.00 C ATOM 1427 O PRO A 97 -13.762 9.568 14.270 1.00 0.00 O ATOM 1428 CB PRO A 97 -14.551 8.357 17.361 1.00 0.00 C ATOM 1429 CG PRO A 97 -13.102 8.411 17.724 1.00 0.00 C ATOM 1430 CD PRO A 97 -12.384 7.434 16.828 1.00 0.00 C ATOM 0 HA PRO A 97 -15.436 7.372 15.610 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -15.037 9.317 17.534 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -15.081 7.619 17.963 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.708 9.418 17.589 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.958 8.150 18.772 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.410 7.814 16.521 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.211 6.483 17.331 1.00 0.00 H new ATOM 1438 N SER A 98 -15.774 9.930 15.091 1.00 0.00 N ATOM 1439 CA SER A 98 -15.969 11.172 14.283 1.00 0.00 C ATOM 1440 C SER A 98 -16.255 10.835 12.824 1.00 0.00 C ATOM 1441 O SER A 98 -17.230 11.287 12.255 1.00 0.00 O ATOM 1442 CB SER A 98 -14.671 11.966 14.420 1.00 0.00 C ATOM 1443 OG SER A 98 -14.981 13.329 14.681 1.00 0.00 O ATOM 0 H SER A 98 -16.560 9.686 15.694 1.00 0.00 H new ATOM 0 HA SER A 98 -16.825 11.747 14.636 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.065 11.557 15.228 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.082 11.883 13.507 1.00 0.00 H new ATOM 0 HG SER A 98 -14.151 13.842 14.771 1.00 0.00 H new ATOM 1449 N LYS A 99 -15.437 10.037 12.215 1.00 0.00 N ATOM 1450 CA LYS A 99 -15.696 9.671 10.799 1.00 0.00 C ATOM 1451 C LYS A 99 -16.602 8.437 10.772 1.00 0.00 C ATOM 1452 O LYS A 99 -16.849 7.850 9.738 1.00 0.00 O ATOM 1453 CB LYS A 99 -14.320 9.374 10.204 1.00 0.00 C ATOM 1454 CG LYS A 99 -14.471 8.597 8.892 1.00 0.00 C ATOM 1455 CD LYS A 99 -14.280 7.100 9.152 1.00 0.00 C ATOM 1456 CE LYS A 99 -12.940 6.872 9.860 1.00 0.00 C ATOM 1457 NZ LYS A 99 -13.273 6.734 11.310 1.00 0.00 N ATOM 0 H LYS A 99 -14.603 9.622 12.631 1.00 0.00 H new ATOM 0 HA LYS A 99 -16.198 10.454 10.231 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.784 10.306 10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.726 8.796 10.912 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -15.456 8.778 8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.737 8.946 8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.097 6.719 9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.305 6.550 8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.445 5.977 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.260 7.707 9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.799 7.487 11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.302 6.811 11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.950 5.807 11.654 1.00 0.00 H new ATOM 1471 N ARG A 100 -17.116 8.056 11.916 1.00 0.00 N ATOM 1472 CA ARG A 100 -18.021 6.875 11.974 1.00 0.00 C ATOM 1473 C ARG A 100 -19.478 7.348 11.874 1.00 0.00 C ATOM 1474 O ARG A 100 -19.836 8.388 12.390 1.00 0.00 O ATOM 1475 CB ARG A 100 -17.720 6.229 13.340 1.00 0.00 C ATOM 1476 CG ARG A 100 -19.004 5.700 13.991 1.00 0.00 C ATOM 1477 CD ARG A 100 -18.709 5.250 15.425 1.00 0.00 C ATOM 1478 NE ARG A 100 -17.697 4.165 15.294 1.00 0.00 N ATOM 1479 CZ ARG A 100 -17.440 3.391 16.313 1.00 0.00 C ATOM 1480 NH1 ARG A 100 -18.419 2.898 17.019 1.00 0.00 N ATOM 1481 NH2 ARG A 100 -16.204 3.110 16.624 1.00 0.00 N ATOM 0 H ARG A 100 -16.945 8.515 12.811 1.00 0.00 H new ATOM 0 HA ARG A 100 -17.869 6.166 11.160 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -17.010 5.412 13.212 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -17.249 6.961 13.997 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -19.768 6.477 13.994 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -19.400 4.866 13.412 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -18.326 6.075 16.026 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -19.612 4.889 15.918 1.00 0.00 H new ATOM 0 HE ARG A 100 -17.206 4.027 14.410 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -19.385 3.117 16.775 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -18.219 2.293 17.816 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -15.439 3.495 16.071 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -16.003 2.505 17.420 1.00 0.00 H new TER 1495 ARG A 100 HETATM 1496 CA CA A 107 -4.466 11.879 6.988 1.00 12.07 CA