USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 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 11 SER OG : rot 162:sc= 0.939 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 72:sc= 0.849 USER MOD Single : A 24 ASN : amide:sc= -0.191 K(o=-0.19,f=-6.8!) USER MOD Single : A 37 THR OG1 : rot 73:sc= 0.342 USER MOD Single : A 46 HIS : no HD1:sc= -0.595 K(o=-0.6,f=-3.8!) USER MOD Single : A 48 THR OG1 : rot 7:sc= 0.664 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= 0.439 (180deg=0.301) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0.498! (180deg=0.366!) USER MOD Single : A 59 MET CE :methyl 166:sc= -0.0192 (180deg=-0.245) USER MOD Single : A 61 MET CE :methyl -163:sc= 0 (180deg=-0.204) USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= 0.518 (180deg=-0.438!) USER MOD Single : A 78 LYS NZ :NH3+ 143:sc= 0.484 (180deg=-0.0324) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 168:sc= -0.92 (180deg=-1.05) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.16) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 0.388 (180deg=0.00536) USER MOD Single : A 109 LYS NZ :NH3+ 144:sc= 1.01 (180deg=0.317) USER MOD Single : A 112 LYS NZ :NH3+ -140:sc= 0.556 (180deg=-1.66!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 10.809 -3.549 -2.838 1.00 1.96 N ATOM 56 CA GLU A 5 11.026 -3.860 -1.425 1.00 0.94 C ATOM 57 C GLU A 5 9.769 -3.526 -0.631 1.00 0.84 C ATOM 58 O GLU A 5 9.275 -2.400 -0.710 1.00 1.36 O ATOM 59 CB GLU A 5 12.215 -3.053 -0.867 1.00 2.15 C ATOM 60 CG GLU A 5 13.461 -3.035 -1.763 1.00 3.25 C ATOM 61 CD GLU A 5 13.931 -4.432 -2.160 1.00 3.69 C ATOM 62 OE1 GLU A 5 13.992 -5.306 -1.271 1.00 4.21 O ATOM 63 OE2 GLU A 5 14.243 -4.602 -3.361 1.00 4.42 O ATOM 0 HA GLU A 5 11.251 -4.923 -1.333 1.00 0.94 H new ATOM 0 HB2 GLU A 5 11.891 -2.026 -0.699 1.00 2.15 H new ATOM 0 HB3 GLU A 5 12.490 -3.463 0.105 1.00 2.15 H new ATOM 0 HG2 GLU A 5 13.245 -2.461 -2.664 1.00 3.25 H new ATOM 0 HG3 GLU A 5 14.269 -2.520 -1.242 1.00 3.25 H new ATOM 70 N GLY A 6 9.228 -4.482 0.124 1.00 0.98 N ATOM 71 CA GLY A 6 8.007 -4.289 0.910 1.00 0.99 C ATOM 72 C GLY A 6 7.724 -5.411 1.897 1.00 0.98 C ATOM 73 O GLY A 6 8.407 -6.436 1.913 1.00 1.15 O ATOM 0 H GLY A 6 9.626 -5.417 0.209 1.00 0.98 H new ATOM 0 HA2 GLY A 6 8.083 -3.349 1.456 1.00 0.99 H new ATOM 0 HA3 GLY A 6 7.160 -4.195 0.230 1.00 0.99 H new ATOM 77 N TRP A 7 6.683 -5.231 2.713 1.00 0.89 N ATOM 78 CA TRP A 7 6.267 -6.196 3.733 1.00 0.90 C ATOM 79 C TRP A 7 4.780 -6.056 4.091 1.00 0.82 C ATOM 80 O TRP A 7 4.212 -4.962 4.033 1.00 0.80 O ATOM 81 CB TRP A 7 7.162 -6.078 4.983 1.00 1.01 C ATOM 82 CG TRP A 7 7.057 -4.807 5.776 1.00 1.03 C ATOM 83 CD1 TRP A 7 6.406 -4.684 6.955 1.00 1.10 C ATOM 84 CD2 TRP A 7 7.612 -3.481 5.489 1.00 1.07 C ATOM 85 NE1 TRP A 7 6.521 -3.388 7.415 1.00 1.18 N ATOM 86 CE2 TRP A 7 7.229 -2.595 6.540 1.00 1.18 C ATOM 87 CE3 TRP A 7 8.397 -2.926 4.454 1.00 1.11 C ATOM 88 CZ2 TRP A 7 7.567 -1.234 6.548 1.00 1.34 C ATOM 89 CZ3 TRP A 7 8.739 -1.560 4.444 1.00 1.26 C ATOM 90 CH2 TRP A 7 8.327 -0.715 5.487 1.00 1.38 C ATOM 0 H TRP A 7 6.096 -4.397 2.683 1.00 0.89 H new ATOM 0 HA TRP A 7 6.392 -7.194 3.314 1.00 0.90 H new ATOM 0 HB2 TRP A 7 6.930 -6.912 5.646 1.00 1.01 H new ATOM 0 HB3 TRP A 7 8.199 -6.198 4.670 1.00 1.01 H new ATOM 0 HD1 TRP A 7 5.877 -5.479 7.460 1.00 1.10 H new ATOM 0 HE1 TRP A 7 6.129 -3.057 8.297 1.00 1.18 H new ATOM 0 HE3 TRP A 7 8.742 -3.563 3.653 1.00 1.11 H new ATOM 0 HZ2 TRP A 7 7.248 -0.595 7.358 1.00 1.34 H new ATOM 0 HZ3 TRP A 7 9.322 -1.159 3.628 1.00 1.26 H new ATOM 0 HH2 TRP A 7 8.594 0.331 5.473 1.00 1.38 H new ATOM 101 N VAL A 8 4.148 -7.159 4.504 1.00 0.86 N ATOM 102 CA VAL A 8 2.751 -7.142 4.983 1.00 0.80 C ATOM 103 C VAL A 8 2.713 -7.372 6.496 1.00 0.86 C ATOM 104 O VAL A 8 3.314 -8.324 6.989 1.00 0.99 O ATOM 105 CB VAL A 8 1.881 -8.143 4.200 1.00 0.79 C ATOM 106 CG1 VAL A 8 0.423 -8.123 4.695 1.00 0.82 C ATOM 107 CG2 VAL A 8 1.926 -7.781 2.704 1.00 0.86 C ATOM 0 H VAL A 8 4.580 -8.083 4.518 1.00 0.86 H new ATOM 0 HA VAL A 8 2.320 -6.159 4.795 1.00 0.80 H new ATOM 0 HB VAL A 8 2.275 -9.147 4.358 1.00 0.79 H new ATOM 0 HG11 VAL A 8 -0.165 -8.840 4.123 1.00 0.82 H new ATOM 0 HG12 VAL A 8 0.394 -8.390 5.751 1.00 0.82 H new ATOM 0 HG13 VAL A 8 0.007 -7.124 4.562 1.00 0.82 H new ATOM 0 HG21 VAL A 8 1.313 -8.484 2.141 1.00 0.86 H new ATOM 0 HG22 VAL A 8 1.542 -6.771 2.562 1.00 0.86 H new ATOM 0 HG23 VAL A 8 2.955 -7.831 2.348 1.00 0.86 H new ATOM 117 N ARG A 9 2.025 -6.470 7.213 1.00 0.83 N ATOM 118 CA ARG A 9 2.189 -6.223 8.657 1.00 0.92 C ATOM 119 C ARG A 9 1.630 -7.320 9.584 1.00 1.14 C ATOM 120 O ARG A 9 1.854 -7.269 10.794 1.00 2.62 O ATOM 121 CB ARG A 9 1.542 -4.871 9.010 1.00 0.96 C ATOM 122 CG ARG A 9 2.159 -4.222 10.265 1.00 1.38 C ATOM 123 CD ARG A 9 1.124 -3.697 11.268 1.00 1.93 C ATOM 124 NE ARG A 9 0.431 -4.797 11.969 1.00 2.60 N ATOM 125 CZ ARG A 9 0.810 -5.366 13.108 1.00 3.31 C ATOM 126 NH1 ARG A 9 1.870 -4.981 13.789 1.00 3.70 N ATOM 127 NH2 ARG A 9 0.091 -6.368 13.562 1.00 4.74 N ATOM 0 H ARG A 9 1.315 -5.872 6.791 1.00 0.83 H new ATOM 0 HA ARG A 9 3.264 -6.221 8.836 1.00 0.92 H new ATOM 0 HB2 ARG A 9 1.649 -4.191 8.165 1.00 0.96 H new ATOM 0 HB3 ARG A 9 0.473 -5.016 9.170 1.00 0.96 H new ATOM 0 HG2 ARG A 9 2.795 -4.953 10.764 1.00 1.38 H new ATOM 0 HG3 ARG A 9 2.802 -3.398 9.957 1.00 1.38 H new ATOM 0 HD2 ARG A 9 1.618 -3.056 11.998 1.00 1.93 H new ATOM 0 HD3 ARG A 9 0.392 -3.081 10.746 1.00 1.93 H new ATOM 0 HE ARG A 9 -0.421 -5.154 11.537 1.00 2.60 H new ATOM 0 HH11 ARG A 9 2.444 -4.211 13.446 1.00 3.70 H new ATOM 0 HH12 ARG A 9 2.116 -5.453 14.659 1.00 3.70 H new ATOM 0 HH21 ARG A 9 -0.728 -6.684 13.043 1.00 4.74 H new ATOM 0 HH22 ARG A 9 0.352 -6.829 14.434 1.00 4.74 H new ATOM 141 N PHE A 10 0.859 -8.274 9.050 1.00 1.56 N ATOM 142 CA PHE A 10 0.248 -9.388 9.790 1.00 1.69 C ATOM 143 C PHE A 10 -0.858 -8.952 10.782 1.00 2.01 C ATOM 144 O PHE A 10 -0.949 -7.804 11.232 1.00 2.67 O ATOM 145 CB PHE A 10 1.346 -10.272 10.441 1.00 1.79 C ATOM 146 CG PHE A 10 1.099 -10.716 11.875 1.00 1.82 C ATOM 147 CD1 PHE A 10 1.239 -9.818 12.953 1.00 2.59 C ATOM 148 CD2 PHE A 10 0.681 -12.032 12.128 1.00 2.78 C ATOM 149 CE1 PHE A 10 0.978 -10.240 14.269 1.00 2.82 C ATOM 150 CE2 PHE A 10 0.417 -12.457 13.439 1.00 2.76 C ATOM 151 CZ PHE A 10 0.569 -11.562 14.512 1.00 2.11 C ATOM 0 H PHE A 10 0.634 -8.294 8.055 1.00 1.56 H new ATOM 0 HA PHE A 10 -0.285 -10.001 9.063 1.00 1.69 H new ATOM 0 HB2 PHE A 10 1.476 -11.162 9.826 1.00 1.79 H new ATOM 0 HB3 PHE A 10 2.288 -9.724 10.411 1.00 1.79 H new ATOM 0 HD1 PHE A 10 1.548 -8.800 12.767 1.00 2.59 H new ATOM 0 HD2 PHE A 10 0.562 -12.723 11.307 1.00 2.78 H new ATOM 0 HE1 PHE A 10 1.092 -9.549 15.091 1.00 2.82 H new ATOM 0 HE2 PHE A 10 0.097 -13.472 13.624 1.00 2.76 H new ATOM 0 HZ PHE A 10 0.372 -11.890 15.522 1.00 2.11 H new ATOM 161 N SER A 11 -1.691 -9.921 11.162 1.00 1.82 N ATOM 162 CA SER A 11 -2.638 -9.855 12.276 1.00 2.10 C ATOM 163 C SER A 11 -3.161 -11.259 12.622 1.00 2.02 C ATOM 164 O SER A 11 -3.272 -12.090 11.714 1.00 2.29 O ATOM 165 CB SER A 11 -3.811 -8.953 11.892 1.00 2.97 C ATOM 166 OG SER A 11 -4.665 -8.630 12.971 1.00 4.19 O ATOM 0 H SER A 11 -1.726 -10.818 10.677 1.00 1.82 H new ATOM 0 HA SER A 11 -2.128 -9.447 13.149 1.00 2.10 H new ATOM 0 HB2 SER A 11 -3.421 -8.030 11.462 1.00 2.97 H new ATOM 0 HB3 SER A 11 -4.395 -9.445 11.114 1.00 2.97 H new ATOM 0 HG SER A 11 -5.207 -7.848 12.736 1.00 4.19 H new ATOM 172 N PRO A 12 -3.513 -11.529 13.893 1.00 1.99 N ATOM 173 CA PRO A 12 -4.352 -12.662 14.267 1.00 2.20 C ATOM 174 C PRO A 12 -5.854 -12.345 14.114 1.00 2.64 C ATOM 175 O PRO A 12 -6.676 -13.248 14.251 1.00 3.75 O ATOM 176 CB PRO A 12 -3.995 -12.920 15.732 1.00 2.13 C ATOM 177 CG PRO A 12 -3.749 -11.510 16.274 1.00 2.15 C ATOM 178 CD PRO A 12 -3.122 -10.781 15.085 1.00 2.00 C ATOM 0 HA PRO A 12 -4.177 -13.527 13.627 1.00 2.20 H new ATOM 0 HB2 PRO A 12 -4.804 -13.422 16.263 1.00 2.13 H new ATOM 0 HB3 PRO A 12 -3.111 -13.550 15.828 1.00 2.13 H new ATOM 0 HG2 PRO A 12 -4.676 -11.035 16.594 1.00 2.15 H new ATOM 0 HG3 PRO A 12 -3.082 -11.521 17.136 1.00 2.15 H new ATOM 0 HD2 PRO A 12 -3.474 -9.751 15.031 1.00 2.00 H new ATOM 0 HD3 PRO A 12 -2.037 -10.742 15.181 1.00 2.00 H new ATOM 186 N GLY A 13 -6.215 -11.073 13.874 1.00 2.05 N ATOM 187 CA GLY A 13 -7.589 -10.564 13.817 1.00 2.38 C ATOM 188 C GLY A 13 -7.953 -9.897 12.480 1.00 1.65 C ATOM 189 O GLY A 13 -7.211 -10.018 11.506 1.00 1.45 O ATOM 0 H GLY A 13 -5.524 -10.342 13.708 1.00 2.05 H new ATOM 0 HA2 GLY A 13 -8.279 -11.388 14.000 1.00 2.38 H new ATOM 0 HA3 GLY A 13 -7.732 -9.843 14.622 1.00 2.38 H new ATOM 193 N PRO A 14 -9.099 -9.187 12.412 1.00 1.62 N ATOM 194 CA PRO A 14 -9.713 -8.777 11.150 1.00 1.49 C ATOM 195 C PRO A 14 -8.999 -7.630 10.426 1.00 1.04 C ATOM 196 O PRO A 14 -9.111 -7.573 9.204 1.00 1.27 O ATOM 197 CB PRO A 14 -11.153 -8.392 11.508 1.00 1.86 C ATOM 198 CG PRO A 14 -11.051 -7.945 12.965 1.00 2.01 C ATOM 199 CD PRO A 14 -9.985 -8.884 13.528 1.00 2.11 C ATOM 0 HA PRO A 14 -9.652 -9.599 10.436 1.00 1.49 H new ATOM 0 HB2 PRO A 14 -11.526 -7.592 10.868 1.00 1.86 H new ATOM 0 HB3 PRO A 14 -11.834 -9.235 11.394 1.00 1.86 H new ATOM 0 HG2 PRO A 14 -10.755 -6.899 13.048 1.00 2.01 H new ATOM 0 HG3 PRO A 14 -12.001 -8.050 13.489 1.00 2.01 H new ATOM 0 HD2 PRO A 14 -9.439 -8.412 14.345 1.00 2.11 H new ATOM 0 HD3 PRO A 14 -10.435 -9.792 13.929 1.00 2.11 H new ATOM 207 N ASN A 15 -8.289 -6.733 11.123 1.00 0.79 N ATOM 208 CA ASN A 15 -7.541 -5.633 10.497 1.00 0.71 C ATOM 209 C ASN A 15 -6.048 -5.952 10.346 1.00 0.80 C ATOM 210 O ASN A 15 -5.461 -6.603 11.213 1.00 1.14 O ATOM 211 CB ASN A 15 -7.637 -4.348 11.337 1.00 1.42 C ATOM 212 CG ASN A 15 -9.036 -3.766 11.451 1.00 1.70 C ATOM 213 OD1 ASN A 15 -9.908 -4.316 12.109 1.00 3.00 O ATOM 214 ND2 ASN A 15 -9.282 -2.632 10.821 1.00 2.02 N ATOM 0 H ASN A 15 -8.217 -6.749 12.140 1.00 0.79 H new ATOM 0 HA ASN A 15 -7.993 -5.497 9.515 1.00 0.71 H new ATOM 0 HB2 ASN A 15 -7.262 -4.557 12.339 1.00 1.42 H new ATOM 0 HB3 ASN A 15 -6.980 -3.596 10.901 1.00 1.42 H new ATOM 0 HD21 ASN A 15 -10.207 -2.206 10.880 1.00 2.02 H new ATOM 0 HD22 ASN A 15 -8.547 -2.182 10.275 1.00 2.02 H new ATOM 221 N ALA A 16 -5.421 -5.367 9.321 1.00 0.71 N ATOM 222 CA ALA A 16 -3.974 -5.332 9.073 1.00 0.91 C ATOM 223 C ALA A 16 -3.585 -4.163 8.143 1.00 0.71 C ATOM 224 O ALA A 16 -4.442 -3.403 7.701 1.00 0.67 O ATOM 225 CB ALA A 16 -3.509 -6.692 8.524 1.00 1.28 C ATOM 0 H ALA A 16 -5.942 -4.874 8.596 1.00 0.71 H new ATOM 0 HA ALA A 16 -3.459 -5.152 10.017 1.00 0.91 H new ATOM 0 HB1 ALA A 16 -2.435 -6.663 8.341 1.00 1.28 H new ATOM 0 HB2 ALA A 16 -3.732 -7.473 9.251 1.00 1.28 H new ATOM 0 HB3 ALA A 16 -4.030 -6.905 7.591 1.00 1.28 H new ATOM 231 N ALA A 17 -2.285 -4.042 7.851 1.00 0.98 N ATOM 232 CA ALA A 17 -1.682 -3.009 7.007 1.00 0.89 C ATOM 233 C ALA A 17 -0.649 -3.610 6.034 1.00 0.84 C ATOM 234 O ALA A 17 -0.194 -4.739 6.252 1.00 1.05 O ATOM 235 CB ALA A 17 -1.003 -1.977 7.920 1.00 1.09 C ATOM 0 H ALA A 17 -1.592 -4.695 8.216 1.00 0.98 H new ATOM 0 HA ALA A 17 -2.461 -2.538 6.407 1.00 0.89 H new ATOM 0 HB1 ALA A 17 -0.546 -1.197 7.311 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -1.746 -1.532 8.582 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -0.234 -2.469 8.516 1.00 1.09 H new ATOM 241 N ALA A 18 -0.210 -2.836 5.034 1.00 0.95 N ATOM 242 CA ALA A 18 0.888 -3.198 4.125 1.00 1.01 C ATOM 243 C ALA A 18 1.609 -1.962 3.555 1.00 0.93 C ATOM 244 O ALA A 18 1.007 -0.891 3.447 1.00 1.03 O ATOM 245 CB ALA A 18 0.338 -4.081 2.996 1.00 1.10 C ATOM 0 H ALA A 18 -0.615 -1.923 4.829 1.00 0.95 H new ATOM 0 HA ALA A 18 1.633 -3.752 4.696 1.00 1.01 H new ATOM 0 HB1 ALA A 18 1.148 -4.352 2.319 1.00 1.10 H new ATOM 0 HB2 ALA A 18 -0.098 -4.985 3.421 1.00 1.10 H new ATOM 0 HB3 ALA A 18 -0.427 -3.533 2.445 1.00 1.10 H new ATOM 251 N TYR A 19 2.877 -2.135 3.162 1.00 0.85 N ATOM 252 CA TYR A 19 3.814 -1.078 2.746 1.00 0.95 C ATOM 253 C TYR A 19 4.813 -1.648 1.727 1.00 1.16 C ATOM 254 O TYR A 19 5.235 -2.798 1.890 1.00 1.47 O ATOM 255 CB TYR A 19 4.601 -0.557 3.965 1.00 1.07 C ATOM 256 CG TYR A 19 3.885 -0.619 5.297 1.00 0.93 C ATOM 257 CD1 TYR A 19 3.094 0.457 5.737 1.00 2.16 C ATOM 258 CD2 TYR A 19 3.989 -1.778 6.086 1.00 1.57 C ATOM 259 CE1 TYR A 19 2.453 0.398 6.991 1.00 2.18 C ATOM 260 CE2 TYR A 19 3.356 -1.849 7.335 1.00 1.55 C ATOM 261 CZ TYR A 19 2.597 -0.752 7.803 1.00 0.93 C ATOM 262 OH TYR A 19 2.011 -0.810 9.030 1.00 1.08 O ATOM 0 H TYR A 19 3.301 -3.062 3.123 1.00 0.85 H new ATOM 0 HA TYR A 19 3.244 -0.262 2.301 1.00 0.95 H new ATOM 0 HB2 TYR A 19 5.526 -1.128 4.046 1.00 1.07 H new ATOM 0 HB3 TYR A 19 4.882 0.479 3.775 1.00 1.07 H new ATOM 0 HD1 TYR A 19 2.977 1.331 5.113 1.00 2.16 H new ATOM 0 HD2 TYR A 19 4.561 -2.621 5.727 1.00 1.57 H new ATOM 0 HE1 TYR A 19 1.853 1.229 7.331 1.00 2.18 H new ATOM 0 HE2 TYR A 19 3.448 -2.740 7.938 1.00 1.55 H new ATOM 0 HH TYR A 19 1.193 -0.270 9.028 1.00 1.08 H new ATOM 272 N LEU A 20 5.217 -0.883 0.699 1.00 1.01 N ATOM 273 CA LEU A 20 6.075 -1.388 -0.389 1.00 1.07 C ATOM 274 C LEU A 20 6.602 -0.322 -1.357 1.00 0.87 C ATOM 275 O LEU A 20 5.987 0.720 -1.562 1.00 0.76 O ATOM 276 CB LEU A 20 5.389 -2.525 -1.193 1.00 1.18 C ATOM 277 CG LEU A 20 4.289 -2.097 -2.193 1.00 1.10 C ATOM 278 CD1 LEU A 20 3.977 -3.252 -3.155 1.00 1.73 C ATOM 279 CD2 LEU A 20 2.986 -1.665 -1.504 1.00 1.50 C ATOM 0 H LEU A 20 4.960 0.099 0.598 1.00 1.01 H new ATOM 0 HA LEU A 20 6.946 -1.779 0.138 1.00 1.07 H new ATOM 0 HB2 LEU A 20 6.159 -3.066 -1.744 1.00 1.18 H new ATOM 0 HB3 LEU A 20 4.951 -3.228 -0.484 1.00 1.18 H new ATOM 0 HG LEU A 20 4.681 -1.235 -2.733 1.00 1.10 H new ATOM 0 HD11 LEU A 20 3.202 -2.942 -3.856 1.00 1.73 H new ATOM 0 HD12 LEU A 20 4.878 -3.520 -3.706 1.00 1.73 H new ATOM 0 HD13 LEU A 20 3.629 -4.115 -2.587 1.00 1.73 H new ATOM 0 HD21 LEU A 20 2.254 -1.377 -2.258 1.00 1.50 H new ATOM 0 HD22 LEU A 20 2.593 -2.494 -0.916 1.00 1.50 H new ATOM 0 HD23 LEU A 20 3.185 -0.817 -0.848 1.00 1.50 H new ATOM 291 N THR A 21 7.681 -0.666 -2.056 1.00 0.93 N ATOM 292 CA THR A 21 8.218 0.036 -3.221 1.00 0.85 C ATOM 293 C THR A 21 7.297 -0.189 -4.416 1.00 0.92 C ATOM 294 O THR A 21 6.843 -1.304 -4.649 1.00 1.22 O ATOM 295 CB THR A 21 9.620 -0.475 -3.560 1.00 1.04 C ATOM 296 OG1 THR A 21 10.435 -0.438 -2.422 1.00 1.23 O ATOM 297 CG2 THR A 21 10.314 0.390 -4.612 1.00 1.27 C ATOM 0 H THR A 21 8.235 -1.487 -1.812 1.00 0.93 H new ATOM 0 HA THR A 21 8.279 1.100 -2.991 1.00 0.85 H new ATOM 0 HB THR A 21 9.489 -1.489 -3.939 1.00 1.04 H new ATOM 0 HG1 THR A 21 10.158 -1.142 -1.799 1.00 1.23 H new ATOM 0 HG21 THR A 21 11.305 -0.013 -4.818 1.00 1.27 H new ATOM 0 HG22 THR A 21 9.724 0.391 -5.529 1.00 1.27 H new ATOM 0 HG23 THR A 21 10.408 1.410 -4.240 1.00 1.27 H new ATOM 305 N LEU A 22 7.065 0.872 -5.189 1.00 0.95 N ATOM 306 CA LEU A 22 6.368 0.867 -6.462 1.00 1.06 C ATOM 307 C LEU A 22 7.220 1.506 -7.564 1.00 0.87 C ATOM 308 O LEU A 22 7.952 2.472 -7.328 1.00 0.83 O ATOM 309 CB LEU A 22 5.070 1.630 -6.201 1.00 1.36 C ATOM 310 CG LEU A 22 4.142 1.838 -7.408 1.00 1.82 C ATOM 311 CD1 LEU A 22 2.768 2.068 -6.800 1.00 2.91 C ATOM 312 CD2 LEU A 22 4.465 3.083 -8.245 1.00 3.62 C ATOM 0 H LEU A 22 7.378 1.806 -4.924 1.00 0.95 H new ATOM 0 HA LEU A 22 6.163 -0.141 -6.822 1.00 1.06 H new ATOM 0 HB2 LEU A 22 4.512 1.100 -5.429 1.00 1.36 H new ATOM 0 HB3 LEU A 22 5.325 2.609 -5.794 1.00 1.36 H new ATOM 0 HG LEU A 22 4.235 0.979 -8.073 1.00 1.82 H new ATOM 0 HD11 LEU A 22 2.040 2.226 -7.596 1.00 2.91 H new ATOM 0 HD12 LEU A 22 2.480 1.196 -6.212 1.00 2.91 H new ATOM 0 HD13 LEU A 22 2.798 2.946 -6.155 1.00 2.91 H new ATOM 0 HD21 LEU A 22 3.763 3.155 -9.076 1.00 3.62 H new ATOM 0 HD22 LEU A 22 4.381 3.973 -7.621 1.00 3.62 H new ATOM 0 HD23 LEU A 22 5.481 3.007 -8.633 1.00 3.62 H new ATOM 324 N GLU A 23 7.075 0.986 -8.781 1.00 1.05 N ATOM 325 CA GLU A 23 7.779 1.404 -9.986 1.00 1.08 C ATOM 326 C GLU A 23 6.857 1.903 -11.106 1.00 1.25 C ATOM 327 O GLU A 23 5.949 1.211 -11.554 1.00 1.68 O ATOM 328 CB GLU A 23 8.636 0.245 -10.534 1.00 1.94 C ATOM 329 CG GLU A 23 7.978 -1.152 -10.668 1.00 2.58 C ATOM 330 CD GLU A 23 7.999 -1.974 -9.374 1.00 3.85 C ATOM 331 OE1 GLU A 23 7.174 -1.700 -8.484 1.00 5.05 O ATOM 332 OE2 GLU A 23 8.930 -2.802 -9.211 1.00 4.29 O ATOM 0 H GLU A 23 6.427 0.219 -8.960 1.00 1.05 H new ATOM 0 HA GLU A 23 8.402 2.245 -9.681 1.00 1.08 H new ATOM 0 HB2 GLU A 23 9.001 0.537 -11.519 1.00 1.94 H new ATOM 0 HB3 GLU A 23 9.508 0.142 -9.889 1.00 1.94 H new ATOM 0 HG2 GLU A 23 6.944 -1.027 -10.991 1.00 2.58 H new ATOM 0 HG3 GLU A 23 8.491 -1.711 -11.451 1.00 2.58 H new ATOM 339 N ASN A 24 7.219 3.046 -11.685 1.00 1.08 N ATOM 340 CA ASN A 24 7.024 3.286 -13.110 1.00 1.03 C ATOM 341 C ASN A 24 8.343 3.030 -13.870 1.00 0.89 C ATOM 342 O ASN A 24 9.286 3.817 -13.739 1.00 0.85 O ATOM 343 CB ASN A 24 6.520 4.714 -13.338 1.00 1.02 C ATOM 344 CG ASN A 24 6.054 4.905 -14.773 1.00 1.06 C ATOM 345 OD1 ASN A 24 6.305 4.098 -15.656 1.00 1.17 O ATOM 346 ND2 ASN A 24 5.333 5.966 -15.042 1.00 1.04 N ATOM 0 H ASN A 24 7.651 3.823 -11.185 1.00 1.08 H new ATOM 0 HA ASN A 24 6.271 2.598 -13.494 1.00 1.03 H new ATOM 0 HB2 ASN A 24 5.699 4.927 -12.654 1.00 1.02 H new ATOM 0 HB3 ASN A 24 7.315 5.424 -13.113 1.00 1.02 H new ATOM 0 HD21 ASN A 24 4.982 6.118 -15.988 1.00 1.04 H new ATOM 0 HD22 ASN A 24 5.123 6.640 -14.306 1.00 1.04 H new ATOM 353 N PRO A 25 8.441 1.947 -14.662 1.00 0.99 N ATOM 354 CA PRO A 25 9.585 1.685 -15.534 1.00 0.94 C ATOM 355 C PRO A 25 9.441 2.297 -16.938 1.00 0.87 C ATOM 356 O PRO A 25 10.410 2.299 -17.698 1.00 0.87 O ATOM 357 CB PRO A 25 9.633 0.157 -15.618 1.00 1.12 C ATOM 358 CG PRO A 25 8.150 -0.227 -15.586 1.00 1.25 C ATOM 359 CD PRO A 25 7.548 0.794 -14.630 1.00 1.25 C ATOM 0 HA PRO A 25 10.493 2.137 -15.135 1.00 0.94 H new ATOM 0 HB2 PRO A 25 10.120 -0.184 -16.532 1.00 1.12 H new ATOM 0 HB3 PRO A 25 10.182 -0.278 -14.783 1.00 1.12 H new ATOM 0 HG2 PRO A 25 7.697 -0.168 -16.576 1.00 1.25 H new ATOM 0 HG3 PRO A 25 8.006 -1.247 -15.230 1.00 1.25 H new ATOM 0 HD2 PRO A 25 6.540 1.072 -14.939 1.00 1.25 H new ATOM 0 HD3 PRO A 25 7.471 0.387 -13.622 1.00 1.25 H new ATOM 367 N GLY A 26 8.253 2.796 -17.300 1.00 0.90 N ATOM 368 CA GLY A 26 7.924 3.305 -18.633 1.00 0.92 C ATOM 369 C GLY A 26 8.239 4.786 -18.813 1.00 0.89 C ATOM 370 O GLY A 26 8.860 5.420 -17.965 1.00 0.91 O ATOM 0 H GLY A 26 7.469 2.858 -16.650 1.00 0.90 H new ATOM 0 HA2 GLY A 26 8.475 2.731 -19.378 1.00 0.92 H new ATOM 0 HA3 GLY A 26 6.863 3.141 -18.824 1.00 0.92 H new ATOM 374 N ASP A 27 7.842 5.308 -19.971 1.00 0.92 N ATOM 375 CA ASP A 27 8.209 6.634 -20.492 1.00 0.94 C ATOM 376 C ASP A 27 7.046 7.648 -20.444 1.00 1.06 C ATOM 377 O ASP A 27 7.232 8.830 -20.724 1.00 1.18 O ATOM 378 CB ASP A 27 8.747 6.437 -21.920 1.00 0.98 C ATOM 379 CG ASP A 27 9.975 5.519 -21.915 1.00 1.44 C ATOM 380 OD1 ASP A 27 9.797 4.281 -21.817 1.00 2.32 O ATOM 381 OD2 ASP A 27 11.111 6.027 -21.823 1.00 2.25 O ATOM 0 H ASP A 27 7.227 4.799 -20.606 1.00 0.92 H new ATOM 0 HA ASP A 27 8.977 7.072 -19.854 1.00 0.94 H new ATOM 0 HB2 ASP A 27 7.969 6.008 -22.551 1.00 0.98 H new ATOM 0 HB3 ASP A 27 9.011 7.403 -22.351 1.00 0.98 H new ATOM 386 N LEU A 28 5.856 7.197 -20.028 1.00 1.11 N ATOM 387 CA LEU A 28 4.677 8.007 -19.705 1.00 1.25 C ATOM 388 C LEU A 28 4.268 7.766 -18.233 1.00 1.10 C ATOM 389 O LEU A 28 4.722 6.777 -17.653 1.00 0.98 O ATOM 390 CB LEU A 28 3.594 7.713 -20.764 1.00 1.52 C ATOM 391 CG LEU A 28 3.022 6.279 -20.831 1.00 1.49 C ATOM 392 CD1 LEU A 28 2.027 5.973 -19.699 1.00 1.87 C ATOM 393 CD2 LEU A 28 2.296 6.101 -22.172 1.00 1.72 C ATOM 0 H LEU A 28 5.681 6.200 -19.901 1.00 1.11 H new ATOM 0 HA LEU A 28 4.871 9.078 -19.759 1.00 1.25 H new ATOM 0 HB2 LEU A 28 2.763 8.397 -20.592 1.00 1.52 H new ATOM 0 HB3 LEU A 28 4.008 7.954 -21.743 1.00 1.52 H new ATOM 0 HG LEU A 28 3.862 5.592 -20.726 1.00 1.49 H new ATOM 0 HD11 LEU A 28 1.662 4.951 -19.802 1.00 1.87 H new ATOM 0 HD12 LEU A 28 2.526 6.085 -18.736 1.00 1.87 H new ATOM 0 HD13 LEU A 28 1.188 6.666 -19.755 1.00 1.87 H new ATOM 0 HD21 LEU A 28 1.887 5.093 -22.233 1.00 1.72 H new ATOM 0 HD22 LEU A 28 1.486 6.826 -22.246 1.00 1.72 H new ATOM 0 HD23 LEU A 28 2.999 6.257 -22.990 1.00 1.72 H new ATOM 405 N PRO A 29 3.470 8.642 -17.586 1.00 1.16 N ATOM 406 CA PRO A 29 3.266 8.609 -16.135 1.00 1.10 C ATOM 407 C PRO A 29 2.290 7.501 -15.699 1.00 1.09 C ATOM 408 O PRO A 29 1.524 6.980 -16.509 1.00 1.11 O ATOM 409 CB PRO A 29 2.757 10.004 -15.766 1.00 1.19 C ATOM 410 CG PRO A 29 2.003 10.439 -17.020 1.00 1.33 C ATOM 411 CD PRO A 29 2.790 9.792 -18.162 1.00 1.35 C ATOM 0 HA PRO A 29 4.193 8.369 -15.614 1.00 1.10 H new ATOM 0 HB2 PRO A 29 2.106 9.978 -14.892 1.00 1.19 H new ATOM 0 HB3 PRO A 29 3.577 10.684 -15.532 1.00 1.19 H new ATOM 0 HG2 PRO A 29 0.968 10.097 -17.003 1.00 1.33 H new ATOM 0 HG3 PRO A 29 1.979 11.525 -17.116 1.00 1.33 H new ATOM 0 HD2 PRO A 29 2.124 9.486 -18.969 1.00 1.35 H new ATOM 0 HD3 PRO A 29 3.506 10.495 -18.588 1.00 1.35 H new ATOM 419 N LEU A 30 2.303 7.160 -14.403 1.00 1.09 N ATOM 420 CA LEU A 30 1.533 6.053 -13.817 1.00 1.01 C ATOM 421 C LEU A 30 0.685 6.534 -12.642 1.00 0.88 C ATOM 422 O LEU A 30 1.215 7.110 -11.693 1.00 0.93 O ATOM 423 CB LEU A 30 2.485 4.938 -13.361 1.00 1.13 C ATOM 424 CG LEU A 30 2.057 3.523 -13.761 1.00 0.95 C ATOM 425 CD1 LEU A 30 1.961 3.287 -15.269 1.00 2.36 C ATOM 426 CD2 LEU A 30 3.067 2.510 -13.227 1.00 1.81 C ATOM 0 H LEU A 30 2.865 7.660 -13.714 1.00 1.09 H new ATOM 0 HA LEU A 30 0.860 5.662 -14.581 1.00 1.01 H new ATOM 0 HB2 LEU A 30 3.475 5.133 -13.774 1.00 1.13 H new ATOM 0 HB3 LEU A 30 2.578 4.981 -12.276 1.00 1.13 H new ATOM 0 HG LEU A 30 1.061 3.403 -13.335 1.00 0.95 H new ATOM 0 HD11 LEU A 30 1.652 2.259 -15.457 1.00 2.36 H new ATOM 0 HD12 LEU A 30 1.229 3.971 -15.698 1.00 2.36 H new ATOM 0 HD13 LEU A 30 2.934 3.463 -15.727 1.00 2.36 H new ATOM 0 HD21 LEU A 30 2.760 1.504 -13.513 1.00 1.81 H new ATOM 0 HD22 LEU A 30 4.051 2.722 -13.646 1.00 1.81 H new ATOM 0 HD23 LEU A 30 3.113 2.580 -12.140 1.00 1.81 H new ATOM 438 N ARG A 31 -0.613 6.230 -12.681 1.00 0.90 N ATOM 439 CA ARG A 31 -1.579 6.512 -11.602 1.00 0.79 C ATOM 440 C ARG A 31 -2.047 5.213 -10.944 1.00 0.78 C ATOM 441 O ARG A 31 -2.735 4.407 -11.578 1.00 0.78 O ATOM 442 CB ARG A 31 -2.771 7.322 -12.140 1.00 0.73 C ATOM 443 CG ARG A 31 -3.704 7.803 -11.010 1.00 0.72 C ATOM 444 CD ARG A 31 -4.712 8.879 -11.444 1.00 0.76 C ATOM 445 NE ARG A 31 -4.104 10.221 -11.546 1.00 1.67 N ATOM 446 CZ ARG A 31 -4.717 11.396 -11.485 1.00 2.46 C ATOM 447 NH1 ARG A 31 -6.029 11.508 -11.441 1.00 3.17 N ATOM 448 NH2 ARG A 31 -3.993 12.488 -11.458 1.00 3.51 N ATOM 0 H ARG A 31 -1.040 5.768 -13.484 1.00 0.90 H new ATOM 0 HA ARG A 31 -1.081 7.113 -10.841 1.00 0.79 H new ATOM 0 HB2 ARG A 31 -2.402 8.184 -12.696 1.00 0.73 H new ATOM 0 HB3 ARG A 31 -3.338 6.710 -12.841 1.00 0.73 H new ATOM 0 HG2 ARG A 31 -4.251 6.946 -10.615 1.00 0.72 H new ATOM 0 HG3 ARG A 31 -3.097 8.197 -10.195 1.00 0.72 H new ATOM 0 HD2 ARG A 31 -5.139 8.604 -12.408 1.00 0.76 H new ATOM 0 HD3 ARG A 31 -5.534 8.910 -10.729 1.00 0.76 H new ATOM 0 HE ARG A 31 -3.093 10.248 -11.679 1.00 1.67 H new ATOM 0 HH11 ARG A 31 -6.613 10.672 -11.453 1.00 3.17 H new ATOM 0 HH12 ARG A 31 -6.461 12.431 -11.395 1.00 3.17 H new ATOM 0 HH21 ARG A 31 -2.975 12.426 -11.484 1.00 3.51 H new ATOM 0 HH22 ARG A 31 -4.447 13.400 -11.411 1.00 3.51 H new ATOM 462 N LEU A 32 -1.684 5.006 -9.680 1.00 0.77 N ATOM 463 CA LEU A 32 -2.097 3.866 -8.861 1.00 0.72 C ATOM 464 C LEU A 32 -3.449 4.189 -8.214 1.00 0.73 C ATOM 465 O LEU A 32 -3.612 5.262 -7.650 1.00 0.97 O ATOM 466 CB LEU A 32 -1.010 3.624 -7.801 1.00 0.66 C ATOM 467 CG LEU A 32 -1.303 2.436 -6.857 1.00 0.57 C ATOM 468 CD1 LEU A 32 -0.861 1.106 -7.481 1.00 0.83 C ATOM 469 CD2 LEU A 32 -0.598 2.650 -5.516 1.00 0.85 C ATOM 0 H LEU A 32 -1.072 5.650 -9.179 1.00 0.77 H new ATOM 0 HA LEU A 32 -2.214 2.963 -9.460 1.00 0.72 H new ATOM 0 HB2 LEU A 32 -0.059 3.448 -8.304 1.00 0.66 H new ATOM 0 HB3 LEU A 32 -0.892 4.528 -7.204 1.00 0.66 H new ATOM 0 HG LEU A 32 -2.380 2.388 -6.695 1.00 0.57 H new ATOM 0 HD11 LEU A 32 -1.081 0.290 -6.792 1.00 0.83 H new ATOM 0 HD12 LEU A 32 -1.398 0.946 -8.416 1.00 0.83 H new ATOM 0 HD13 LEU A 32 0.211 1.135 -7.679 1.00 0.83 H new ATOM 0 HD21 LEU A 32 -0.809 1.809 -4.856 1.00 0.85 H new ATOM 0 HD22 LEU A 32 0.477 2.723 -5.678 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -0.960 3.571 -5.058 1.00 0.85 H new ATOM 481 N VAL A 33 -4.405 3.266 -8.265 1.00 0.64 N ATOM 482 CA VAL A 33 -5.783 3.474 -7.772 1.00 0.61 C ATOM 483 C VAL A 33 -6.180 2.515 -6.637 1.00 0.69 C ATOM 484 O VAL A 33 -7.179 2.743 -5.956 1.00 0.73 O ATOM 485 CB VAL A 33 -6.803 3.415 -8.936 1.00 0.59 C ATOM 486 CG1 VAL A 33 -6.524 4.526 -9.967 1.00 0.59 C ATOM 487 CG2 VAL A 33 -6.819 2.059 -9.666 1.00 0.67 C ATOM 0 H VAL A 33 -4.252 2.335 -8.654 1.00 0.64 H new ATOM 0 HA VAL A 33 -5.802 4.474 -7.339 1.00 0.61 H new ATOM 0 HB VAL A 33 -7.780 3.558 -8.475 1.00 0.59 H new ATOM 0 HG11 VAL A 33 -7.253 4.464 -10.775 1.00 0.59 H new ATOM 0 HG12 VAL A 33 -6.601 5.499 -9.483 1.00 0.59 H new ATOM 0 HG13 VAL A 33 -5.520 4.401 -10.374 1.00 0.59 H new ATOM 0 HG21 VAL A 33 -7.555 2.087 -10.469 1.00 0.67 H new ATOM 0 HG22 VAL A 33 -5.833 1.860 -10.085 1.00 0.67 H new ATOM 0 HG23 VAL A 33 -7.080 1.270 -8.961 1.00 0.67 H new ATOM 497 N GLY A 34 -5.391 1.458 -6.401 1.00 0.75 N ATOM 498 CA GLY A 34 -5.544 0.565 -5.258 1.00 0.92 C ATOM 499 C GLY A 34 -4.538 -0.577 -5.296 1.00 0.98 C ATOM 500 O GLY A 34 -3.576 -0.549 -6.064 1.00 0.89 O ATOM 0 H GLY A 34 -4.617 1.200 -7.013 1.00 0.75 H new ATOM 0 HA2 GLY A 34 -5.417 1.131 -4.335 1.00 0.92 H new ATOM 0 HA3 GLY A 34 -6.555 0.159 -5.247 1.00 0.92 H new ATOM 504 N ALA A 35 -4.789 -1.600 -4.487 1.00 1.14 N ATOM 505 CA ALA A 35 -4.206 -2.923 -4.661 1.00 1.03 C ATOM 506 C ALA A 35 -5.238 -4.015 -4.344 1.00 1.04 C ATOM 507 O ALA A 35 -6.385 -3.677 -4.054 1.00 1.14 O ATOM 508 CB ALA A 35 -2.904 -3.049 -3.866 1.00 1.09 C ATOM 0 H ALA A 35 -5.411 -1.532 -3.682 1.00 1.14 H new ATOM 0 HA ALA A 35 -3.932 -3.065 -5.706 1.00 1.03 H new ATOM 0 HB1 ALA A 35 -2.485 -4.045 -4.010 1.00 1.09 H new ATOM 0 HB2 ALA A 35 -2.191 -2.302 -4.214 1.00 1.09 H new ATOM 0 HB3 ALA A 35 -3.108 -2.890 -2.807 1.00 1.09 H new ATOM 514 N ARG A 36 -4.844 -5.295 -4.373 1.00 1.02 N ATOM 515 CA ARG A 36 -5.672 -6.426 -3.909 1.00 1.11 C ATOM 516 C ARG A 36 -4.835 -7.687 -3.695 1.00 0.91 C ATOM 517 O ARG A 36 -3.860 -7.909 -4.407 1.00 0.93 O ATOM 518 CB ARG A 36 -6.925 -6.660 -4.793 1.00 1.33 C ATOM 519 CG ARG A 36 -6.703 -6.763 -6.313 1.00 1.79 C ATOM 520 CD ARG A 36 -6.268 -8.138 -6.835 1.00 2.90 C ATOM 521 NE ARG A 36 -7.350 -9.135 -6.790 1.00 3.06 N ATOM 522 CZ ARG A 36 -7.283 -10.359 -7.304 1.00 4.15 C ATOM 523 NH1 ARG A 36 -6.195 -10.834 -7.872 1.00 5.22 N ATOM 524 NH2 ARG A 36 -8.341 -11.142 -7.247 1.00 4.87 N ATOM 0 H ARG A 36 -3.930 -5.582 -4.723 1.00 1.02 H new ATOM 0 HA ARG A 36 -6.067 -6.150 -2.931 1.00 1.11 H new ATOM 0 HB2 ARG A 36 -7.408 -7.578 -4.459 1.00 1.33 H new ATOM 0 HB3 ARG A 36 -7.626 -5.846 -4.608 1.00 1.33 H new ATOM 0 HG2 ARG A 36 -7.628 -6.481 -6.816 1.00 1.79 H new ATOM 0 HG3 ARG A 36 -5.948 -6.031 -6.601 1.00 1.79 H new ATOM 0 HD2 ARG A 36 -5.916 -8.037 -7.862 1.00 2.90 H new ATOM 0 HD3 ARG A 36 -5.426 -8.496 -6.243 1.00 2.90 H new ATOM 0 HE ARG A 36 -8.219 -8.866 -6.328 1.00 3.06 H new ATOM 0 HH11 ARG A 36 -5.357 -10.256 -7.931 1.00 5.22 H new ATOM 0 HH12 ARG A 36 -6.190 -11.780 -8.253 1.00 5.22 H new ATOM 0 HH21 ARG A 36 -9.200 -10.807 -6.812 1.00 4.87 H new ATOM 0 HH22 ARG A 36 -8.301 -12.083 -7.638 1.00 4.87 H new ATOM 538 N THR A 37 -5.215 -8.500 -2.706 1.00 0.85 N ATOM 539 CA THR A 37 -4.442 -9.638 -2.173 1.00 0.78 C ATOM 540 C THR A 37 -5.397 -10.805 -1.877 1.00 0.75 C ATOM 541 O THR A 37 -6.561 -10.529 -1.575 1.00 0.75 O ATOM 542 CB THR A 37 -3.697 -9.182 -0.921 1.00 0.77 C ATOM 543 OG1 THR A 37 -2.913 -10.250 -0.468 1.00 0.82 O ATOM 544 CG2 THR A 37 -4.573 -8.706 0.238 1.00 0.75 C ATOM 0 H THR A 37 -6.109 -8.382 -2.230 1.00 0.85 H new ATOM 0 HA THR A 37 -3.708 -9.985 -2.900 1.00 0.78 H new ATOM 0 HB THR A 37 -3.115 -8.311 -1.224 1.00 0.77 H new ATOM 0 HG1 THR A 37 -2.149 -10.374 -1.070 1.00 0.82 H new ATOM 0 HG21 THR A 37 -3.940 -8.406 1.073 1.00 0.75 H new ATOM 0 HG22 THR A 37 -5.174 -7.856 -0.085 1.00 0.75 H new ATOM 0 HG23 THR A 37 -5.231 -9.516 0.553 1.00 0.75 H new ATOM 552 N PRO A 38 -4.979 -12.088 -1.916 1.00 0.76 N ATOM 553 CA PRO A 38 -5.850 -13.185 -1.507 1.00 0.77 C ATOM 554 C PRO A 38 -6.162 -13.162 -0.005 1.00 0.70 C ATOM 555 O PRO A 38 -7.272 -13.531 0.373 1.00 0.96 O ATOM 556 CB PRO A 38 -5.122 -14.469 -1.918 1.00 0.84 C ATOM 557 CG PRO A 38 -3.650 -14.068 -1.966 1.00 0.82 C ATOM 558 CD PRO A 38 -3.714 -12.611 -2.414 1.00 0.84 C ATOM 0 HA PRO A 38 -6.824 -13.105 -1.990 1.00 0.77 H new ATOM 0 HB2 PRO A 38 -5.293 -15.271 -1.200 1.00 0.84 H new ATOM 0 HB3 PRO A 38 -5.468 -14.830 -2.887 1.00 0.84 H new ATOM 0 HG2 PRO A 38 -3.170 -14.172 -0.993 1.00 0.82 H new ATOM 0 HG3 PRO A 38 -3.085 -14.683 -2.667 1.00 0.82 H new ATOM 0 HD2 PRO A 38 -2.874 -12.044 -2.014 1.00 0.84 H new ATOM 0 HD3 PRO A 38 -3.662 -12.535 -3.500 1.00 0.84 H new ATOM 566 N VAL A 39 -5.222 -12.730 0.848 1.00 0.65 N ATOM 567 CA VAL A 39 -5.302 -12.921 2.316 1.00 0.76 C ATOM 568 C VAL A 39 -6.372 -12.073 3.032 1.00 0.85 C ATOM 569 O VAL A 39 -6.782 -12.406 4.143 1.00 1.29 O ATOM 570 CB VAL A 39 -3.925 -12.720 3.004 1.00 0.81 C ATOM 571 CG1 VAL A 39 -2.852 -13.581 2.318 1.00 0.85 C ATOM 572 CG2 VAL A 39 -3.468 -11.250 3.034 1.00 0.79 C ATOM 0 H VAL A 39 -4.382 -12.237 0.546 1.00 0.65 H new ATOM 0 HA VAL A 39 -5.619 -13.959 2.422 1.00 0.76 H new ATOM 0 HB VAL A 39 -4.053 -13.036 4.039 1.00 0.81 H new ATOM 0 HG11 VAL A 39 -1.892 -13.429 2.812 1.00 0.85 H new ATOM 0 HG12 VAL A 39 -3.132 -14.632 2.385 1.00 0.85 H new ATOM 0 HG13 VAL A 39 -2.770 -13.293 1.270 1.00 0.85 H new ATOM 0 HG21 VAL A 39 -2.499 -11.180 3.528 1.00 0.79 H new ATOM 0 HG22 VAL A 39 -3.383 -10.875 2.014 1.00 0.79 H new ATOM 0 HG23 VAL A 39 -4.198 -10.653 3.581 1.00 0.79 H new ATOM 582 N ALA A 40 -6.856 -10.998 2.399 1.00 0.72 N ATOM 583 CA ALA A 40 -7.818 -10.049 2.973 1.00 0.76 C ATOM 584 C ALA A 40 -9.061 -9.916 2.082 1.00 0.75 C ATOM 585 O ALA A 40 -8.964 -10.012 0.857 1.00 0.92 O ATOM 586 CB ALA A 40 -7.127 -8.692 3.140 1.00 0.92 C ATOM 0 H ALA A 40 -6.582 -10.757 1.447 1.00 0.72 H new ATOM 0 HA ALA A 40 -8.152 -10.416 3.944 1.00 0.76 H new ATOM 0 HB1 ALA A 40 -7.830 -7.976 3.566 1.00 0.92 H new ATOM 0 HB2 ALA A 40 -6.270 -8.799 3.805 1.00 0.92 H new ATOM 0 HB3 ALA A 40 -6.789 -8.334 2.168 1.00 0.92 H new ATOM 592 N GLU A 41 -10.238 -9.771 2.686 1.00 1.02 N ATOM 593 CA GLU A 41 -11.495 -9.472 1.987 1.00 1.05 C ATOM 594 C GLU A 41 -11.459 -8.085 1.311 1.00 1.05 C ATOM 595 O GLU A 41 -11.709 -7.982 0.112 1.00 1.32 O ATOM 596 CB GLU A 41 -12.646 -9.547 3.005 1.00 1.02 C ATOM 597 CG GLU A 41 -14.035 -9.555 2.360 1.00 1.18 C ATOM 598 CD GLU A 41 -15.114 -9.085 3.332 1.00 3.03 C ATOM 599 OE1 GLU A 41 -15.015 -9.347 4.547 1.00 4.42 O ATOM 600 OE2 GLU A 41 -16.020 -8.343 2.900 1.00 4.17 O ATOM 0 H GLU A 41 -10.352 -9.859 3.696 1.00 1.02 H new ATOM 0 HA GLU A 41 -11.643 -10.205 1.194 1.00 1.05 H new ATOM 0 HB2 GLU A 41 -12.529 -10.448 3.607 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -12.575 -8.698 3.685 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -14.031 -8.910 1.481 1.00 1.18 H new ATOM 0 HG3 GLU A 41 -14.270 -10.562 2.015 1.00 1.18 H new ATOM 607 N ARG A 42 -11.140 -7.044 2.089 1.00 1.15 N ATOM 608 CA ARG A 42 -11.225 -5.623 1.722 1.00 1.10 C ATOM 609 C ARG A 42 -9.850 -4.955 1.788 1.00 0.93 C ATOM 610 O ARG A 42 -8.942 -5.436 2.466 1.00 1.47 O ATOM 611 CB ARG A 42 -12.192 -4.900 2.677 1.00 1.31 C ATOM 612 CG ARG A 42 -13.631 -5.420 2.552 1.00 2.76 C ATOM 613 CD ARG A 42 -14.536 -4.896 3.677 1.00 3.17 C ATOM 614 NE ARG A 42 -15.542 -5.906 4.037 1.00 4.55 N ATOM 615 CZ ARG A 42 -16.146 -6.088 5.199 1.00 5.75 C ATOM 616 NH1 ARG A 42 -16.143 -5.166 6.140 1.00 5.86 N ATOM 617 NH2 ARG A 42 -16.756 -7.230 5.410 1.00 7.24 N ATOM 0 H ARG A 42 -10.798 -7.175 3.041 1.00 1.15 H new ATOM 0 HA ARG A 42 -11.593 -5.555 0.698 1.00 1.10 H new ATOM 0 HB2 ARG A 42 -11.849 -5.029 3.704 1.00 1.31 H new ATOM 0 HB3 ARG A 42 -12.175 -3.831 2.467 1.00 1.31 H new ATOM 0 HG2 ARG A 42 -14.042 -5.120 1.588 1.00 2.76 H new ATOM 0 HG3 ARG A 42 -13.625 -6.510 2.571 1.00 2.76 H new ATOM 0 HD2 ARG A 42 -13.934 -4.646 4.550 1.00 3.17 H new ATOM 0 HD3 ARG A 42 -15.030 -3.979 3.357 1.00 3.17 H new ATOM 0 HE ARG A 42 -15.809 -6.551 3.293 1.00 4.55 H new ATOM 0 HH11 ARG A 42 -15.665 -4.279 5.983 1.00 5.86 H new ATOM 0 HH12 ARG A 42 -16.619 -5.339 7.025 1.00 5.86 H new ATOM 0 HH21 ARG A 42 -16.756 -7.949 4.687 1.00 7.24 H new ATOM 0 HH22 ARG A 42 -17.230 -7.399 6.297 1.00 7.24 H new ATOM 631 N VAL A 43 -9.736 -3.814 1.110 1.00 0.74 N ATOM 632 CA VAL A 43 -8.486 -3.068 0.881 1.00 0.66 C ATOM 633 C VAL A 43 -8.786 -1.605 0.522 1.00 0.71 C ATOM 634 O VAL A 43 -9.683 -1.338 -0.278 1.00 0.95 O ATOM 635 CB VAL A 43 -7.598 -3.759 -0.190 1.00 0.86 C ATOM 636 CG1 VAL A 43 -8.348 -4.064 -1.499 1.00 1.15 C ATOM 637 CG2 VAL A 43 -6.306 -2.980 -0.500 1.00 0.89 C ATOM 0 H VAL A 43 -10.544 -3.359 0.684 1.00 0.74 H new ATOM 0 HA VAL A 43 -7.915 -3.070 1.810 1.00 0.66 H new ATOM 0 HB VAL A 43 -7.320 -4.709 0.267 1.00 0.86 H new ATOM 0 HG11 VAL A 43 -7.670 -4.546 -2.203 1.00 1.15 H new ATOM 0 HG12 VAL A 43 -9.187 -4.728 -1.291 1.00 1.15 H new ATOM 0 HG13 VAL A 43 -8.719 -3.134 -1.931 1.00 1.15 H new ATOM 0 HG21 VAL A 43 -5.731 -3.515 -1.255 1.00 0.89 H new ATOM 0 HG22 VAL A 43 -6.560 -1.988 -0.873 1.00 0.89 H new ATOM 0 HG23 VAL A 43 -5.712 -2.885 0.409 1.00 0.89 H new ATOM 647 N GLU A 44 -8.035 -0.675 1.119 1.00 0.61 N ATOM 648 CA GLU A 44 -8.106 0.778 0.896 1.00 0.62 C ATOM 649 C GLU A 44 -6.690 1.368 0.873 1.00 0.58 C ATOM 650 O GLU A 44 -5.896 1.051 1.761 1.00 0.59 O ATOM 651 CB GLU A 44 -8.841 1.474 2.057 1.00 0.70 C ATOM 652 CG GLU A 44 -10.342 1.190 2.164 1.00 0.85 C ATOM 653 CD GLU A 44 -10.940 1.845 3.417 1.00 1.25 C ATOM 654 OE1 GLU A 44 -10.532 2.983 3.744 1.00 2.41 O ATOM 655 OE2 GLU A 44 -11.795 1.191 4.049 1.00 1.70 O ATOM 0 H GLU A 44 -7.324 -0.924 1.806 1.00 0.61 H new ATOM 0 HA GLU A 44 -8.629 0.938 -0.047 1.00 0.62 H new ATOM 0 HB2 GLU A 44 -8.367 1.176 2.992 1.00 0.70 H new ATOM 0 HB3 GLU A 44 -8.701 2.550 1.957 1.00 0.70 H new ATOM 0 HG2 GLU A 44 -10.851 1.565 1.276 1.00 0.85 H new ATOM 0 HG3 GLU A 44 -10.510 0.114 2.197 1.00 0.85 H new ATOM 662 N LEU A 45 -6.359 2.254 -0.082 1.00 0.58 N ATOM 663 CA LEU A 45 -5.134 3.043 -0.027 1.00 0.57 C ATOM 664 C LEU A 45 -5.321 4.286 0.844 1.00 0.57 C ATOM 665 O LEU A 45 -6.118 5.178 0.534 1.00 0.60 O ATOM 666 CB LEU A 45 -4.690 3.392 -1.454 1.00 0.61 C ATOM 667 CG LEU A 45 -3.221 3.852 -1.474 1.00 0.65 C ATOM 668 CD1 LEU A 45 -2.595 3.499 -2.812 1.00 0.64 C ATOM 669 CD2 LEU A 45 -3.055 5.363 -1.326 1.00 0.79 C ATOM 0 H LEU A 45 -6.934 2.437 -0.905 1.00 0.58 H new ATOM 0 HA LEU A 45 -4.343 2.457 0.441 1.00 0.57 H new ATOM 0 HB2 LEU A 45 -4.812 2.523 -2.100 1.00 0.61 H new ATOM 0 HB3 LEU A 45 -5.328 4.180 -1.855 1.00 0.61 H new ATOM 0 HG LEU A 45 -2.747 3.351 -0.630 1.00 0.65 H new ATOM 0 HD11 LEU A 45 -1.555 3.825 -2.825 1.00 0.64 H new ATOM 0 HD12 LEU A 45 -2.639 2.420 -2.961 1.00 0.64 H new ATOM 0 HD13 LEU A 45 -3.141 3.998 -3.612 1.00 0.64 H new ATOM 0 HD21 LEU A 45 -1.995 5.617 -1.348 1.00 0.79 H new ATOM 0 HD22 LEU A 45 -3.566 5.867 -2.146 1.00 0.79 H new ATOM 0 HD23 LEU A 45 -3.485 5.685 -0.378 1.00 0.79 H new ATOM 681 N HIS A 46 -4.526 4.348 1.907 1.00 0.55 N ATOM 682 CA HIS A 46 -4.429 5.459 2.845 1.00 0.58 C ATOM 683 C HIS A 46 -3.118 6.267 2.657 1.00 0.56 C ATOM 684 O HIS A 46 -2.107 5.764 2.158 1.00 0.50 O ATOM 685 CB HIS A 46 -4.558 4.926 4.289 1.00 0.61 C ATOM 686 CG HIS A 46 -5.923 4.445 4.749 1.00 0.62 C ATOM 687 ND1 HIS A 46 -6.306 4.342 6.090 1.00 0.74 N ATOM 688 CD2 HIS A 46 -6.996 4.100 3.978 1.00 0.60 C ATOM 689 CE1 HIS A 46 -7.578 3.907 6.082 1.00 0.71 C ATOM 690 NE2 HIS A 46 -8.017 3.739 4.826 1.00 0.62 N ATOM 0 H HIS A 46 -3.898 3.582 2.150 1.00 0.55 H new ATOM 0 HA HIS A 46 -5.248 6.150 2.645 1.00 0.58 H new ATOM 0 HB2 HIS A 46 -3.856 4.100 4.405 1.00 0.61 H new ATOM 0 HB3 HIS A 46 -4.236 5.716 4.967 1.00 0.61 H new ATOM 0 HD2 HIS A 46 -7.036 4.109 2.899 1.00 0.60 H new ATOM 0 HE1 HIS A 46 -8.167 3.718 6.967 1.00 0.71 H new ATOM 0 HE2 HIS A 46 -8.940 3.404 4.550 1.00 0.62 H new ATOM 698 N GLU A 47 -3.149 7.532 3.064 1.00 0.64 N ATOM 699 CA GLU A 47 -2.008 8.450 3.084 1.00 0.57 C ATOM 700 C GLU A 47 -1.414 8.564 4.504 1.00 0.77 C ATOM 701 O GLU A 47 -1.535 7.650 5.330 1.00 1.40 O ATOM 702 CB GLU A 47 -2.383 9.791 2.389 1.00 0.62 C ATOM 703 CG GLU A 47 -3.804 10.369 2.527 1.00 0.68 C ATOM 704 CD GLU A 47 -4.214 10.842 3.922 1.00 2.03 C ATOM 705 OE1 GLU A 47 -3.806 10.195 4.909 1.00 3.75 O ATOM 706 OE2 GLU A 47 -5.000 11.815 3.996 1.00 2.39 O ATOM 0 H GLU A 47 -4.006 7.967 3.404 1.00 0.64 H new ATOM 0 HA GLU A 47 -1.186 8.051 2.489 1.00 0.57 H new ATOM 0 HB2 GLU A 47 -1.690 10.549 2.755 1.00 0.62 H new ATOM 0 HB3 GLU A 47 -2.187 9.668 1.324 1.00 0.62 H new ATOM 0 HG2 GLU A 47 -3.899 11.210 1.840 1.00 0.68 H new ATOM 0 HG3 GLU A 47 -4.515 9.609 2.201 1.00 0.68 H new ATOM 713 N THR A 48 -0.713 9.665 4.774 1.00 0.74 N ATOM 714 CA THR A 48 -0.357 10.194 6.093 1.00 0.86 C ATOM 715 C THR A 48 -0.233 11.706 5.937 1.00 0.96 C ATOM 716 O THR A 48 0.528 12.170 5.087 1.00 1.25 O ATOM 717 CB THR A 48 0.945 9.572 6.599 1.00 1.21 C ATOM 718 OG1 THR A 48 0.758 8.186 6.757 1.00 1.34 O ATOM 719 CG2 THR A 48 1.378 10.137 7.951 1.00 1.51 C ATOM 0 H THR A 48 -0.352 10.254 4.023 1.00 0.74 H new ATOM 0 HA THR A 48 -1.118 9.947 6.834 1.00 0.86 H new ATOM 0 HB THR A 48 1.717 9.801 5.865 1.00 1.21 H new ATOM 0 HG1 THR A 48 -0.119 7.931 6.400 1.00 1.34 H new ATOM 0 HG21 THR A 48 2.308 9.661 8.263 1.00 1.51 H new ATOM 0 HG22 THR A 48 1.533 11.212 7.863 1.00 1.51 H new ATOM 0 HG23 THR A 48 0.603 9.941 8.692 1.00 1.51 H new ATOM 727 N PHE A 49 -0.982 12.469 6.731 1.00 1.12 N ATOM 728 CA PHE A 49 -1.115 13.921 6.610 1.00 1.27 C ATOM 729 C PHE A 49 -0.815 14.646 7.923 1.00 1.29 C ATOM 730 O PHE A 49 -0.973 14.094 9.010 1.00 1.24 O ATOM 731 CB PHE A 49 -2.540 14.265 6.133 1.00 1.32 C ATOM 732 CG PHE A 49 -3.655 14.048 7.152 1.00 1.30 C ATOM 733 CD1 PHE A 49 -3.974 15.058 8.082 1.00 2.44 C ATOM 734 CD2 PHE A 49 -4.387 12.847 7.172 1.00 2.04 C ATOM 735 CE1 PHE A 49 -4.992 14.861 9.031 1.00 2.48 C ATOM 736 CE2 PHE A 49 -5.420 12.654 8.102 1.00 2.08 C ATOM 737 CZ PHE A 49 -5.715 13.658 9.037 1.00 1.43 C ATOM 0 H PHE A 49 -1.530 12.083 7.500 1.00 1.12 H new ATOM 0 HA PHE A 49 -0.380 14.262 5.881 1.00 1.27 H new ATOM 0 HB2 PHE A 49 -2.556 15.310 5.823 1.00 1.32 H new ATOM 0 HB3 PHE A 49 -2.761 13.667 5.249 1.00 1.32 H new ATOM 0 HD1 PHE A 49 -3.431 15.992 8.065 1.00 2.44 H new ATOM 0 HD2 PHE A 49 -4.152 12.066 6.465 1.00 2.04 H new ATOM 0 HE1 PHE A 49 -5.217 15.632 9.753 1.00 2.48 H new ATOM 0 HE2 PHE A 49 -5.987 11.735 8.098 1.00 2.08 H new ATOM 0 HZ PHE A 49 -6.500 13.505 9.763 1.00 1.43 H new ATOM 747 N MET A 50 -0.516 15.947 7.822 1.00 1.47 N ATOM 748 CA MET A 50 -0.630 16.868 8.960 1.00 1.63 C ATOM 749 C MET A 50 -1.326 18.181 8.587 1.00 1.48 C ATOM 750 O MET A 50 -0.898 18.945 7.717 1.00 1.80 O ATOM 751 CB MET A 50 0.709 17.101 9.673 1.00 2.08 C ATOM 752 CG MET A 50 1.783 17.672 8.752 1.00 2.37 C ATOM 753 SD MET A 50 3.099 18.557 9.617 1.00 3.34 S ATOM 754 CE MET A 50 4.141 18.927 8.186 1.00 3.40 C ATOM 0 H MET A 50 -0.192 16.387 6.961 1.00 1.47 H new ATOM 0 HA MET A 50 -1.277 16.370 9.683 1.00 1.63 H new ATOM 0 HB2 MET A 50 0.555 17.783 10.509 1.00 2.08 H new ATOM 0 HB3 MET A 50 1.061 16.158 10.091 1.00 2.08 H new ATOM 0 HG2 MET A 50 2.224 16.858 8.177 1.00 2.37 H new ATOM 0 HG3 MET A 50 1.313 18.348 8.038 1.00 2.37 H new ATOM 0 HE1 MET A 50 5.022 19.480 8.511 1.00 3.40 H new ATOM 0 HE2 MET A 50 4.451 17.996 7.711 1.00 3.40 H new ATOM 0 HE3 MET A 50 3.578 19.528 7.472 1.00 3.40 H new ATOM 764 N ARG A 51 -2.413 18.448 9.301 1.00 1.63 N ATOM 765 CA ARG A 51 -3.315 19.581 9.110 1.00 1.67 C ATOM 766 C ARG A 51 -3.327 20.485 10.346 1.00 1.77 C ATOM 767 O ARG A 51 -2.939 20.067 11.442 1.00 1.83 O ATOM 768 CB ARG A 51 -4.732 19.039 8.855 1.00 1.79 C ATOM 769 CG ARG A 51 -5.574 19.964 7.960 1.00 2.93 C ATOM 770 CD ARG A 51 -7.067 19.682 8.144 1.00 3.57 C ATOM 771 NE ARG A 51 -7.580 20.348 9.354 1.00 4.87 N ATOM 772 CZ ARG A 51 -8.840 20.518 9.728 1.00 6.37 C ATOM 773 NH1 ARG A 51 -9.849 20.027 9.040 1.00 6.85 N ATOM 774 NH2 ARG A 51 -9.081 21.209 10.821 1.00 7.85 N ATOM 0 H ARG A 51 -2.706 17.848 10.072 1.00 1.63 H new ATOM 0 HA ARG A 51 -2.972 20.172 8.261 1.00 1.67 H new ATOM 0 HB2 ARG A 51 -4.661 18.056 8.389 1.00 1.79 H new ATOM 0 HB3 ARG A 51 -5.241 18.903 9.809 1.00 1.79 H new ATOM 0 HG2 ARG A 51 -5.363 21.005 8.204 1.00 2.93 H new ATOM 0 HG3 ARG A 51 -5.297 19.819 6.916 1.00 2.93 H new ATOM 0 HD2 ARG A 51 -7.618 20.030 7.270 1.00 3.57 H new ATOM 0 HD3 ARG A 51 -7.232 18.607 8.217 1.00 3.57 H new ATOM 0 HE ARG A 51 -6.874 20.727 9.985 1.00 4.87 H new ATOM 0 HH11 ARG A 51 -9.674 19.495 8.188 1.00 6.85 H new ATOM 0 HH12 ARG A 51 -10.806 20.179 9.359 1.00 6.85 H new ATOM 0 HH21 ARG A 51 -8.307 21.599 11.359 1.00 7.85 H new ATOM 0 HH22 ARG A 51 -10.042 21.355 11.131 1.00 7.85 H new ATOM 788 N GLU A 52 -3.809 21.704 10.158 1.00 1.90 N ATOM 789 CA GLU A 52 -4.076 22.682 11.195 1.00 2.06 C ATOM 790 C GLU A 52 -5.369 22.365 11.943 1.00 1.88 C ATOM 791 O GLU A 52 -6.342 21.874 11.365 1.00 1.97 O ATOM 792 CB GLU A 52 -4.133 24.091 10.597 1.00 2.58 C ATOM 793 CG GLU A 52 -2.727 24.657 10.369 1.00 2.89 C ATOM 794 CD GLU A 52 -1.909 23.970 9.265 1.00 3.56 C ATOM 795 OE1 GLU A 52 -2.446 23.202 8.432 1.00 4.81 O ATOM 796 OE2 GLU A 52 -0.669 24.065 9.308 1.00 3.55 O ATOM 0 H GLU A 52 -4.036 22.054 9.227 1.00 1.90 H new ATOM 0 HA GLU A 52 -3.258 22.638 11.914 1.00 2.06 H new ATOM 0 HB2 GLU A 52 -4.675 24.065 9.651 1.00 2.58 H new ATOM 0 HB3 GLU A 52 -4.688 24.750 11.265 1.00 2.58 H new ATOM 0 HG2 GLU A 52 -2.815 25.716 10.126 1.00 2.89 H new ATOM 0 HG3 GLU A 52 -2.171 24.590 11.304 1.00 2.89 H new ATOM 803 N VAL A 53 -5.345 22.652 13.238 1.00 1.81 N ATOM 804 CA VAL A 53 -6.432 22.383 14.197 1.00 1.72 C ATOM 805 C VAL A 53 -6.650 23.622 15.071 1.00 2.03 C ATOM 806 O VAL A 53 -7.308 24.557 14.624 1.00 3.24 O ATOM 807 CB VAL A 53 -6.235 21.036 14.940 1.00 1.62 C ATOM 808 CG1 VAL A 53 -7.413 20.721 15.882 1.00 2.12 C ATOM 809 CG2 VAL A 53 -6.133 19.863 13.943 1.00 2.07 C ATOM 0 H VAL A 53 -4.539 23.097 13.676 1.00 1.81 H new ATOM 0 HA VAL A 53 -7.376 22.223 13.675 1.00 1.72 H new ATOM 0 HB VAL A 53 -5.314 21.143 15.513 1.00 1.62 H new ATOM 0 HG11 VAL A 53 -7.234 19.769 16.382 1.00 2.12 H new ATOM 0 HG12 VAL A 53 -7.504 21.511 16.627 1.00 2.12 H new ATOM 0 HG13 VAL A 53 -8.335 20.660 15.304 1.00 2.12 H new ATOM 0 HG21 VAL A 53 -5.995 18.931 14.491 1.00 2.07 H new ATOM 0 HG22 VAL A 53 -7.048 19.806 13.354 1.00 2.07 H new ATOM 0 HG23 VAL A 53 -5.283 20.023 13.279 1.00 2.07 H new ATOM 819 N GLU A 54 -6.062 23.678 16.263 1.00 1.59 N ATOM 820 CA GLU A 54 -6.131 24.827 17.192 1.00 1.77 C ATOM 821 C GLU A 54 -5.218 26.002 16.750 1.00 2.07 C ATOM 822 O GLU A 54 -4.580 26.647 17.575 1.00 2.38 O ATOM 823 CB GLU A 54 -5.803 24.416 18.652 1.00 1.90 C ATOM 824 CG GLU A 54 -6.296 23.044 19.136 1.00 2.31 C ATOM 825 CD GLU A 54 -5.197 21.995 18.966 1.00 3.03 C ATOM 826 OE1 GLU A 54 -4.744 21.774 17.817 1.00 4.03 O ATOM 827 OE2 GLU A 54 -4.706 21.441 19.970 1.00 3.49 O ATOM 0 H GLU A 54 -5.505 22.907 16.630 1.00 1.59 H new ATOM 0 HA GLU A 54 -7.164 25.174 17.158 1.00 1.77 H new ATOM 0 HB2 GLU A 54 -4.720 24.445 18.773 1.00 1.90 H new ATOM 0 HB3 GLU A 54 -6.218 25.175 19.315 1.00 1.90 H new ATOM 0 HG2 GLU A 54 -6.591 23.105 20.184 1.00 2.31 H new ATOM 0 HG3 GLU A 54 -7.181 22.748 18.572 1.00 2.31 H new ATOM 834 N GLY A 55 -5.009 26.184 15.440 1.00 2.16 N ATOM 835 CA GLY A 55 -3.815 26.857 14.892 1.00 2.41 C ATOM 836 C GLY A 55 -2.572 25.961 14.914 1.00 2.39 C ATOM 837 O GLY A 55 -1.577 26.238 14.253 1.00 2.73 O ATOM 0 H GLY A 55 -5.664 25.869 14.724 1.00 2.16 H new ATOM 0 HA2 GLY A 55 -4.016 27.168 13.867 1.00 2.41 H new ATOM 0 HA3 GLY A 55 -3.617 27.762 15.467 1.00 2.41 H new ATOM 841 N LYS A 56 -2.641 24.848 15.643 1.00 2.13 N ATOM 842 CA LYS A 56 -1.596 23.845 15.786 1.00 2.16 C ATOM 843 C LYS A 56 -1.585 22.901 14.588 1.00 2.14 C ATOM 844 O LYS A 56 -2.649 22.579 14.058 1.00 2.07 O ATOM 845 CB LYS A 56 -1.873 23.035 17.055 1.00 2.09 C ATOM 846 CG LYS A 56 -0.665 22.937 17.981 1.00 2.14 C ATOM 847 CD LYS A 56 -0.940 22.060 19.217 1.00 2.36 C ATOM 848 CE LYS A 56 -1.219 20.579 18.891 1.00 3.77 C ATOM 849 NZ LYS A 56 -2.665 20.289 18.725 1.00 4.41 N ATOM 0 H LYS A 56 -3.477 24.612 16.178 1.00 2.13 H new ATOM 0 HA LYS A 56 -0.628 24.343 15.845 1.00 2.16 H new ATOM 0 HB2 LYS A 56 -2.701 23.492 17.596 1.00 2.09 H new ATOM 0 HB3 LYS A 56 -2.191 22.031 16.775 1.00 2.09 H new ATOM 0 HG2 LYS A 56 0.180 22.526 17.429 1.00 2.14 H new ATOM 0 HG3 LYS A 56 -0.378 23.937 18.306 1.00 2.14 H new ATOM 0 HD2 LYS A 56 -0.083 22.118 19.888 1.00 2.36 H new ATOM 0 HD3 LYS A 56 -1.794 22.469 19.756 1.00 2.36 H new ATOM 0 HE2 LYS A 56 -0.691 20.307 17.977 1.00 3.77 H new ATOM 0 HE3 LYS A 56 -0.817 19.954 19.689 1.00 3.77 H new ATOM 0 HZ1 LYS A 56 -2.809 19.260 18.677 1.00 4.41 H new ATOM 0 HZ2 LYS A 56 -3.192 20.675 19.535 1.00 4.41 H new ATOM 0 HZ3 LYS A 56 -3.009 20.729 17.847 1.00 4.41 H new ATOM 863 N LYS A 57 -0.433 22.313 14.263 1.00 2.18 N ATOM 864 CA LYS A 57 -0.401 21.080 13.466 1.00 1.97 C ATOM 865 C LYS A 57 -0.848 19.872 14.314 1.00 2.02 C ATOM 866 O LYS A 57 -0.454 19.748 15.474 1.00 2.38 O ATOM 867 CB LYS A 57 1.003 20.832 12.877 1.00 2.01 C ATOM 868 CG LYS A 57 1.304 21.594 11.574 1.00 3.23 C ATOM 869 CD LYS A 57 0.371 21.209 10.411 1.00 4.71 C ATOM 870 CE LYS A 57 0.965 21.695 9.086 1.00 4.88 C ATOM 871 NZ LYS A 57 -0.045 21.728 7.997 1.00 5.86 N ATOM 0 H LYS A 57 0.485 22.665 14.535 1.00 2.18 H new ATOM 0 HA LYS A 57 -1.099 21.202 12.637 1.00 1.97 H new ATOM 0 HB2 LYS A 57 1.748 21.109 13.623 1.00 2.01 H new ATOM 0 HB3 LYS A 57 1.120 19.764 12.691 1.00 2.01 H new ATOM 0 HG2 LYS A 57 1.218 22.665 11.760 1.00 3.23 H new ATOM 0 HG3 LYS A 57 2.336 21.403 11.280 1.00 3.23 H new ATOM 0 HD2 LYS A 57 0.235 20.128 10.384 1.00 4.71 H new ATOM 0 HD3 LYS A 57 -0.614 21.650 10.562 1.00 4.71 H new ATOM 0 HE2 LYS A 57 1.383 22.692 9.221 1.00 4.88 H new ATOM 0 HE3 LYS A 57 1.787 21.041 8.797 1.00 4.88 H new ATOM 0 HZ1 LYS A 57 0.384 22.127 7.138 1.00 5.86 H new ATOM 0 HZ2 LYS A 57 -0.377 20.762 7.802 1.00 5.86 H new ATOM 0 HZ3 LYS A 57 -0.850 22.319 8.288 1.00 5.86 H new ATOM 885 N VAL A 58 -1.624 18.973 13.709 1.00 1.81 N ATOM 886 CA VAL A 58 -1.933 17.618 14.202 1.00 1.70 C ATOM 887 C VAL A 58 -1.746 16.629 13.041 1.00 1.56 C ATOM 888 O VAL A 58 -1.982 16.995 11.889 1.00 1.63 O ATOM 889 CB VAL A 58 -3.361 17.542 14.789 1.00 1.70 C ATOM 890 CG1 VAL A 58 -3.741 16.130 15.262 1.00 1.78 C ATOM 891 CG2 VAL A 58 -3.512 18.499 15.988 1.00 2.07 C ATOM 0 H VAL A 58 -2.079 19.173 12.818 1.00 1.81 H new ATOM 0 HA VAL A 58 -1.255 17.359 15.015 1.00 1.70 H new ATOM 0 HB VAL A 58 -4.028 17.829 13.976 1.00 1.70 H new ATOM 0 HG11 VAL A 58 -4.754 16.141 15.664 1.00 1.78 H new ATOM 0 HG12 VAL A 58 -3.692 15.439 14.421 1.00 1.78 H new ATOM 0 HG13 VAL A 58 -3.047 15.807 16.038 1.00 1.78 H new ATOM 0 HG21 VAL A 58 -4.525 18.428 16.385 1.00 2.07 H new ATOM 0 HG22 VAL A 58 -2.798 18.225 16.765 1.00 2.07 H new ATOM 0 HG23 VAL A 58 -3.320 19.522 15.664 1.00 2.07 H new ATOM 901 N MET A 59 -1.285 15.410 13.346 1.00 1.52 N ATOM 902 CA MET A 59 -0.946 14.324 12.408 1.00 1.39 C ATOM 903 C MET A 59 -2.066 13.270 12.356 1.00 1.20 C ATOM 904 O MET A 59 -2.691 13.003 13.384 1.00 1.41 O ATOM 905 CB MET A 59 0.364 13.674 12.892 1.00 1.81 C ATOM 906 CG MET A 59 1.032 12.723 11.885 1.00 1.85 C ATOM 907 SD MET A 59 1.835 13.482 10.447 1.00 3.05 S ATOM 908 CE MET A 59 3.167 14.413 11.247 1.00 3.15 C ATOM 0 H MET A 59 -1.127 15.135 14.315 1.00 1.52 H new ATOM 0 HA MET A 59 -0.828 14.730 11.403 1.00 1.39 H new ATOM 0 HB2 MET A 59 1.071 14.464 13.146 1.00 1.81 H new ATOM 0 HB3 MET A 59 0.160 13.122 13.809 1.00 1.81 H new ATOM 0 HG2 MET A 59 1.778 12.134 12.418 1.00 1.85 H new ATOM 0 HG3 MET A 59 0.276 12.027 11.523 1.00 1.85 H new ATOM 0 HE1 MET A 59 3.892 14.728 10.497 1.00 3.15 H new ATOM 0 HE2 MET A 59 2.751 15.291 11.741 1.00 3.15 H new ATOM 0 HE3 MET A 59 3.661 13.781 11.985 1.00 3.15 H new ATOM 918 N GLY A 60 -2.285 12.646 11.193 1.00 1.04 N ATOM 919 CA GLY A 60 -3.228 11.539 10.998 1.00 1.07 C ATOM 920 C GLY A 60 -2.993 10.753 9.706 1.00 1.07 C ATOM 921 O GLY A 60 -2.033 11.010 8.983 1.00 1.44 O ATOM 0 H GLY A 60 -1.796 12.905 10.336 1.00 1.04 H new ATOM 0 HA2 GLY A 60 -3.156 10.858 11.846 1.00 1.07 H new ATOM 0 HA3 GLY A 60 -4.244 11.935 10.993 1.00 1.07 H new ATOM 925 N MET A 61 -3.883 9.800 9.423 1.00 0.86 N ATOM 926 CA MET A 61 -3.929 9.011 8.184 1.00 0.85 C ATOM 927 C MET A 61 -5.382 8.849 7.712 1.00 0.83 C ATOM 928 O MET A 61 -6.307 8.866 8.527 1.00 1.08 O ATOM 929 CB MET A 61 -3.311 7.616 8.388 1.00 1.16 C ATOM 930 CG MET A 61 -1.879 7.618 8.942 1.00 1.40 C ATOM 931 SD MET A 61 -1.737 7.714 10.750 1.00 1.73 S ATOM 932 CE MET A 61 0.066 7.659 10.873 1.00 1.91 C ATOM 0 H MET A 61 -4.623 9.544 10.076 1.00 0.86 H new ATOM 0 HA MET A 61 -3.351 9.546 7.431 1.00 0.85 H new ATOM 0 HB2 MET A 61 -3.947 7.049 9.067 1.00 1.16 H new ATOM 0 HB3 MET A 61 -3.315 7.090 7.433 1.00 1.16 H new ATOM 0 HG2 MET A 61 -1.376 6.712 8.604 1.00 1.40 H new ATOM 0 HG3 MET A 61 -1.342 8.461 8.508 1.00 1.40 H new ATOM 0 HE1 MET A 61 0.354 7.405 11.893 1.00 1.91 H new ATOM 0 HE2 MET A 61 0.455 6.905 10.188 1.00 1.91 H new ATOM 0 HE3 MET A 61 0.478 8.634 10.612 1.00 1.91 H new ATOM 942 N ARG A 62 -5.592 8.689 6.404 1.00 0.74 N ATOM 943 CA ARG A 62 -6.912 8.729 5.758 1.00 0.73 C ATOM 944 C ARG A 62 -6.889 7.981 4.414 1.00 0.63 C ATOM 945 O ARG A 62 -5.881 8.074 3.714 1.00 0.55 O ATOM 946 CB ARG A 62 -7.239 10.207 5.470 1.00 0.90 C ATOM 947 CG ARG A 62 -8.659 10.644 5.833 1.00 1.51 C ATOM 948 CD ARG A 62 -9.057 11.868 5.001 1.00 1.68 C ATOM 949 NE ARG A 62 -9.336 11.469 3.606 1.00 2.49 N ATOM 950 CZ ARG A 62 -10.288 11.901 2.794 1.00 3.25 C ATOM 951 NH1 ARG A 62 -11.064 12.926 3.093 1.00 3.52 N ATOM 952 NH2 ARG A 62 -10.443 11.272 1.651 1.00 4.45 N ATOM 0 H ARG A 62 -4.831 8.524 5.745 1.00 0.74 H new ATOM 0 HA ARG A 62 -7.648 8.261 6.411 1.00 0.73 H new ATOM 0 HB2 ARG A 62 -6.533 10.832 6.017 1.00 0.90 H new ATOM 0 HB3 ARG A 62 -7.078 10.398 4.409 1.00 0.90 H new ATOM 0 HG2 ARG A 62 -9.358 9.827 5.652 1.00 1.51 H new ATOM 0 HG3 ARG A 62 -8.715 10.882 6.895 1.00 1.51 H new ATOM 0 HD2 ARG A 62 -9.938 12.341 5.435 1.00 1.68 H new ATOM 0 HD3 ARG A 62 -8.256 12.607 5.022 1.00 1.68 H new ATOM 0 HE ARG A 62 -8.710 10.765 3.216 1.00 2.49 H new ATOM 0 HH11 ARG A 62 -10.941 13.417 3.978 1.00 3.52 H new ATOM 0 HH12 ARG A 62 -11.786 13.227 2.439 1.00 3.52 H new ATOM 0 HH21 ARG A 62 -9.841 10.482 1.418 1.00 4.45 H new ATOM 0 HH22 ARG A 62 -11.165 11.573 0.997 1.00 4.45 H new ATOM 966 N PRO A 63 -7.985 7.342 3.959 1.00 0.64 N ATOM 967 CA PRO A 63 -8.076 6.864 2.582 1.00 0.60 C ATOM 968 C PRO A 63 -8.106 8.008 1.566 1.00 0.60 C ATOM 969 O PRO A 63 -8.612 9.099 1.842 1.00 0.68 O ATOM 970 CB PRO A 63 -9.316 5.982 2.486 1.00 0.66 C ATOM 971 CG PRO A 63 -10.170 6.455 3.653 1.00 0.75 C ATOM 972 CD PRO A 63 -9.178 6.963 4.700 1.00 0.76 C ATOM 0 HA PRO A 63 -7.184 6.289 2.332 1.00 0.60 H new ATOM 0 HB2 PRO A 63 -9.829 6.111 1.533 1.00 0.66 H new ATOM 0 HB3 PRO A 63 -9.066 4.925 2.573 1.00 0.66 H new ATOM 0 HG2 PRO A 63 -10.855 7.245 3.344 1.00 0.75 H new ATOM 0 HG3 PRO A 63 -10.779 5.642 4.050 1.00 0.75 H new ATOM 0 HD2 PRO A 63 -9.586 7.813 5.246 1.00 0.76 H new ATOM 0 HD3 PRO A 63 -8.954 6.190 5.435 1.00 0.76 H new ATOM 980 N VAL A 64 -7.581 7.715 0.374 1.00 0.53 N ATOM 981 CA VAL A 64 -7.533 8.600 -0.808 1.00 0.53 C ATOM 982 C VAL A 64 -7.992 7.849 -2.071 1.00 0.52 C ATOM 983 O VAL A 64 -7.949 6.619 -2.087 1.00 0.55 O ATOM 984 CB VAL A 64 -6.112 9.172 -1.065 1.00 0.63 C ATOM 985 CG1 VAL A 64 -5.930 10.494 -0.315 1.00 0.72 C ATOM 986 CG2 VAL A 64 -4.981 8.186 -0.736 1.00 0.83 C ATOM 0 H VAL A 64 -7.153 6.807 0.190 1.00 0.53 H new ATOM 0 HA VAL A 64 -8.207 9.429 -0.594 1.00 0.53 H new ATOM 0 HB VAL A 64 -6.038 9.353 -2.137 1.00 0.63 H new ATOM 0 HG11 VAL A 64 -4.930 10.885 -0.503 1.00 0.72 H new ATOM 0 HG12 VAL A 64 -6.672 11.214 -0.661 1.00 0.72 H new ATOM 0 HG13 VAL A 64 -6.059 10.326 0.754 1.00 0.72 H new ATOM 0 HG21 VAL A 64 -4.019 8.655 -0.940 1.00 0.83 H new ATOM 0 HG22 VAL A 64 -5.034 7.910 0.317 1.00 0.83 H new ATOM 0 HG23 VAL A 64 -5.087 7.292 -1.351 1.00 0.83 H new ATOM 996 N PRO A 65 -8.421 8.561 -3.135 1.00 0.54 N ATOM 997 CA PRO A 65 -8.876 7.942 -4.375 1.00 0.58 C ATOM 998 C PRO A 65 -7.738 7.438 -5.279 1.00 0.58 C ATOM 999 O PRO A 65 -8.021 6.616 -6.148 1.00 0.62 O ATOM 1000 CB PRO A 65 -9.703 9.024 -5.077 1.00 0.62 C ATOM 1001 CG PRO A 65 -9.043 10.323 -4.618 1.00 0.61 C ATOM 1002 CD PRO A 65 -8.638 10.004 -3.182 1.00 0.56 C ATOM 0 HA PRO A 65 -9.450 7.042 -4.155 1.00 0.58 H new ATOM 0 HB2 PRO A 65 -9.669 8.917 -6.161 1.00 0.62 H new ATOM 0 HB3 PRO A 65 -10.752 8.981 -4.785 1.00 0.62 H new ATOM 0 HG2 PRO A 65 -8.181 10.579 -5.234 1.00 0.61 H new ATOM 0 HG3 PRO A 65 -9.732 11.166 -4.667 1.00 0.61 H new ATOM 0 HD2 PRO A 65 -7.733 10.544 -2.903 1.00 0.56 H new ATOM 0 HD3 PRO A 65 -9.417 10.304 -2.481 1.00 0.56 H new ATOM 1010 N PHE A 66 -6.486 7.896 -5.102 1.00 0.59 N ATOM 1011 CA PHE A 66 -5.341 7.495 -5.933 1.00 0.65 C ATOM 1012 C PHE A 66 -4.004 8.013 -5.383 1.00 0.66 C ATOM 1013 O PHE A 66 -3.956 8.934 -4.569 1.00 0.69 O ATOM 1014 CB PHE A 66 -5.522 7.921 -7.412 1.00 0.76 C ATOM 1015 CG PHE A 66 -5.567 9.414 -7.669 1.00 0.89 C ATOM 1016 CD1 PHE A 66 -4.379 10.132 -7.913 1.00 1.92 C ATOM 1017 CD2 PHE A 66 -6.803 10.089 -7.690 1.00 1.73 C ATOM 1018 CE1 PHE A 66 -4.424 11.516 -8.151 1.00 2.03 C ATOM 1019 CE2 PHE A 66 -6.849 11.474 -7.922 1.00 1.83 C ATOM 1020 CZ PHE A 66 -5.659 12.189 -8.150 1.00 1.27 C ATOM 0 H PHE A 66 -6.240 8.562 -4.370 1.00 0.59 H new ATOM 0 HA PHE A 66 -5.310 6.406 -5.895 1.00 0.65 H new ATOM 0 HB2 PHE A 66 -4.705 7.496 -7.995 1.00 0.76 H new ATOM 0 HB3 PHE A 66 -6.445 7.479 -7.787 1.00 0.76 H new ATOM 0 HD1 PHE A 66 -3.430 9.616 -7.917 1.00 1.92 H new ATOM 0 HD2 PHE A 66 -7.719 9.540 -7.527 1.00 1.73 H new ATOM 0 HE1 PHE A 66 -3.511 12.063 -8.335 1.00 2.03 H new ATOM 0 HE2 PHE A 66 -7.798 11.990 -7.925 1.00 1.83 H new ATOM 0 HZ PHE A 66 -5.694 13.254 -8.324 1.00 1.27 H new ATOM 1030 N LEU A 67 -2.923 7.425 -5.895 1.00 0.69 N ATOM 1031 CA LEU A 67 -1.544 7.918 -5.883 1.00 0.68 C ATOM 1032 C LEU A 67 -1.033 7.975 -7.328 1.00 0.72 C ATOM 1033 O LEU A 67 -1.643 7.383 -8.215 1.00 0.73 O ATOM 1034 CB LEU A 67 -0.662 6.955 -5.061 1.00 0.63 C ATOM 1035 CG LEU A 67 -0.155 7.502 -3.716 1.00 0.73 C ATOM 1036 CD1 LEU A 67 0.813 6.453 -3.155 1.00 1.06 C ATOM 1037 CD2 LEU A 67 0.606 8.833 -3.850 1.00 1.00 C ATOM 0 H LEU A 67 -2.993 6.523 -6.365 1.00 0.69 H new ATOM 0 HA LEU A 67 -1.504 8.911 -5.434 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -1.229 6.044 -4.871 1.00 0.63 H new ATOM 0 HB3 LEU A 67 0.200 6.674 -5.666 1.00 0.63 H new ATOM 0 HG LEU A 67 -1.014 7.691 -3.073 1.00 0.73 H new ATOM 0 HD11 LEU A 67 1.203 6.794 -2.196 1.00 1.06 H new ATOM 0 HD12 LEU A 67 0.286 5.509 -3.017 1.00 1.06 H new ATOM 0 HD13 LEU A 67 1.638 6.310 -3.852 1.00 1.06 H new ATOM 0 HD21 LEU A 67 0.936 9.164 -2.865 1.00 1.00 H new ATOM 0 HD22 LEU A 67 1.473 8.693 -4.496 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -0.052 9.586 -4.284 1.00 1.00 H new ATOM 1049 N GLU A 68 0.114 8.607 -7.587 1.00 0.77 N ATOM 1050 CA GLU A 68 0.693 8.624 -8.935 1.00 0.82 C ATOM 1051 C GLU A 68 2.169 8.996 -8.951 1.00 0.98 C ATOM 1052 O GLU A 68 2.698 9.503 -7.964 1.00 1.10 O ATOM 1053 CB GLU A 68 -0.125 9.493 -9.904 1.00 0.79 C ATOM 1054 CG GLU A 68 0.051 11.005 -9.787 1.00 0.95 C ATOM 1055 CD GLU A 68 -1.023 11.695 -10.630 1.00 1.13 C ATOM 1056 OE1 GLU A 68 -1.494 11.107 -11.631 1.00 1.72 O ATOM 1057 OE2 GLU A 68 -1.498 12.779 -10.243 1.00 2.18 O ATOM 0 H GLU A 68 0.658 9.111 -6.887 1.00 0.77 H new ATOM 0 HA GLU A 68 0.638 7.596 -9.293 1.00 0.82 H new ATOM 0 HB2 GLU A 68 0.130 9.199 -10.922 1.00 0.79 H new ATOM 0 HB3 GLU A 68 -1.180 9.261 -9.760 1.00 0.79 H new ATOM 0 HG2 GLU A 68 -0.031 11.315 -8.745 1.00 0.95 H new ATOM 0 HG3 GLU A 68 1.044 11.297 -10.129 1.00 0.95 H new ATOM 1064 N VAL A 69 2.828 8.707 -10.077 1.00 1.04 N ATOM 1065 CA VAL A 69 4.286 8.778 -10.223 1.00 1.20 C ATOM 1066 C VAL A 69 4.668 9.143 -11.667 1.00 1.12 C ATOM 1067 O VAL A 69 4.042 8.627 -12.598 1.00 1.07 O ATOM 1068 CB VAL A 69 4.949 7.421 -9.857 1.00 1.37 C ATOM 1069 CG1 VAL A 69 6.471 7.533 -9.674 1.00 1.53 C ATOM 1070 CG2 VAL A 69 4.402 6.789 -8.569 1.00 1.51 C ATOM 0 H VAL A 69 2.354 8.411 -10.930 1.00 1.04 H new ATOM 0 HA VAL A 69 4.645 9.549 -9.542 1.00 1.20 H new ATOM 0 HB VAL A 69 4.704 6.789 -10.711 1.00 1.37 H new ATOM 0 HG11 VAL A 69 6.880 6.555 -9.420 1.00 1.53 H new ATOM 0 HG12 VAL A 69 6.924 7.886 -10.601 1.00 1.53 H new ATOM 0 HG13 VAL A 69 6.690 8.238 -8.872 1.00 1.53 H new ATOM 0 HG21 VAL A 69 4.914 5.845 -8.381 1.00 1.51 H new ATOM 0 HG22 VAL A 69 4.570 7.466 -7.732 1.00 1.51 H new ATOM 0 HG23 VAL A 69 3.333 6.606 -8.679 1.00 1.51 H new ATOM 1080 N PRO A 70 5.696 9.989 -11.884 1.00 1.13 N ATOM 1081 CA PRO A 70 6.239 10.257 -13.214 1.00 1.06 C ATOM 1082 C PRO A 70 6.939 9.018 -13.814 1.00 0.96 C ATOM 1083 O PRO A 70 7.201 8.053 -13.094 1.00 0.95 O ATOM 1084 CB PRO A 70 7.211 11.429 -13.022 1.00 1.11 C ATOM 1085 CG PRO A 70 7.681 11.272 -11.578 1.00 1.17 C ATOM 1086 CD PRO A 70 6.434 10.745 -10.877 1.00 1.23 C ATOM 0 HA PRO A 70 5.451 10.502 -13.927 1.00 1.06 H new ATOM 0 HB2 PRO A 70 8.044 11.378 -13.723 1.00 1.11 H new ATOM 0 HB3 PRO A 70 6.719 12.388 -13.182 1.00 1.11 H new ATOM 0 HG2 PRO A 70 8.516 10.576 -11.497 1.00 1.17 H new ATOM 0 HG3 PRO A 70 8.014 12.220 -11.155 1.00 1.17 H new ATOM 0 HD2 PRO A 70 6.700 10.111 -10.031 1.00 1.23 H new ATOM 0 HD3 PRO A 70 5.831 11.564 -10.485 1.00 1.23 H new ATOM 1094 N PRO A 71 7.258 9.029 -15.123 1.00 0.92 N ATOM 1095 CA PRO A 71 8.009 7.963 -15.781 1.00 0.80 C ATOM 1096 C PRO A 71 9.411 7.778 -15.197 1.00 0.71 C ATOM 1097 O PRO A 71 10.028 8.739 -14.740 1.00 0.75 O ATOM 1098 CB PRO A 71 8.024 8.307 -17.267 1.00 0.83 C ATOM 1099 CG PRO A 71 7.674 9.787 -17.348 1.00 0.96 C ATOM 1100 CD PRO A 71 6.878 10.059 -16.080 1.00 1.00 C ATOM 0 HA PRO A 71 7.532 6.997 -15.617 1.00 0.80 H new ATOM 0 HB2 PRO A 71 9.003 8.111 -17.705 1.00 0.83 H new ATOM 0 HB3 PRO A 71 7.302 7.703 -17.817 1.00 0.83 H new ATOM 0 HG2 PRO A 71 8.571 10.405 -17.394 1.00 0.96 H new ATOM 0 HG3 PRO A 71 7.088 10.008 -18.240 1.00 0.96 H new ATOM 0 HD2 PRO A 71 7.099 11.052 -15.689 1.00 1.00 H new ATOM 0 HD3 PRO A 71 5.807 10.026 -16.280 1.00 1.00 H new ATOM 1108 N LYS A 72 9.890 6.524 -15.189 1.00 0.68 N ATOM 1109 CA LYS A 72 11.203 6.089 -14.661 1.00 0.68 C ATOM 1110 C LYS A 72 11.356 6.224 -13.134 1.00 0.72 C ATOM 1111 O LYS A 72 12.371 5.817 -12.564 1.00 0.81 O ATOM 1112 CB LYS A 72 12.358 6.788 -15.403 1.00 0.72 C ATOM 1113 CG LYS A 72 12.217 6.779 -16.932 1.00 0.93 C ATOM 1114 CD LYS A 72 12.161 5.369 -17.540 1.00 0.82 C ATOM 1115 CE LYS A 72 11.793 5.471 -19.020 1.00 1.07 C ATOM 1116 NZ LYS A 72 11.544 4.145 -19.632 1.00 1.31 N ATOM 0 H LYS A 72 9.351 5.745 -15.567 1.00 0.68 H new ATOM 0 HA LYS A 72 11.251 5.018 -14.857 1.00 0.68 H new ATOM 0 HB2 LYS A 72 12.423 7.821 -15.061 1.00 0.72 H new ATOM 0 HB3 LYS A 72 13.296 6.303 -15.132 1.00 0.72 H new ATOM 0 HG2 LYS A 72 11.312 7.320 -17.207 1.00 0.93 H new ATOM 0 HG3 LYS A 72 13.057 7.320 -17.368 1.00 0.93 H new ATOM 0 HD2 LYS A 72 13.125 4.873 -17.427 1.00 0.82 H new ATOM 0 HD3 LYS A 72 11.426 4.762 -17.012 1.00 0.82 H new ATOM 0 HE2 LYS A 72 10.903 6.091 -19.129 1.00 1.07 H new ATOM 0 HE3 LYS A 72 12.598 5.971 -19.558 1.00 1.07 H new ATOM 0 HZ1 LYS A 72 12.266 3.956 -20.357 1.00 1.31 H new ATOM 0 HZ2 LYS A 72 11.590 3.410 -18.898 1.00 1.31 H new ATOM 0 HZ3 LYS A 72 10.602 4.137 -20.072 1.00 1.31 H new ATOM 1130 N GLY A 73 10.335 6.754 -12.462 1.00 0.74 N ATOM 1131 CA GLY A 73 10.251 6.950 -11.025 1.00 0.80 C ATOM 1132 C GLY A 73 9.879 5.663 -10.313 1.00 0.71 C ATOM 1133 O GLY A 73 8.779 5.140 -10.462 1.00 0.81 O ATOM 0 H GLY A 73 9.494 7.076 -12.941 1.00 0.74 H new ATOM 0 HA2 GLY A 73 11.208 7.313 -10.649 1.00 0.80 H new ATOM 0 HA3 GLY A 73 9.510 7.718 -10.803 1.00 0.80 H new ATOM 1137 N ARG A 74 10.793 5.212 -9.463 1.00 1.14 N ATOM 1138 CA ARG A 74 10.451 4.414 -8.279 1.00 1.05 C ATOM 1139 C ARG A 74 10.041 5.330 -7.124 1.00 1.12 C ATOM 1140 O ARG A 74 10.627 6.393 -6.951 1.00 1.34 O ATOM 1141 CB ARG A 74 11.613 3.514 -7.817 1.00 1.22 C ATOM 1142 CG ARG A 74 11.680 2.210 -8.616 1.00 2.68 C ATOM 1143 CD ARG A 74 12.620 1.188 -7.953 1.00 2.60 C ATOM 1144 NE ARG A 74 12.567 -0.098 -8.662 1.00 3.97 N ATOM 1145 CZ ARG A 74 11.546 -0.946 -8.658 1.00 4.78 C ATOM 1146 NH1 ARG A 74 10.551 -0.887 -7.799 1.00 4.78 N ATOM 1147 NH2 ARG A 74 11.459 -1.863 -9.585 1.00 6.39 N ATOM 0 H ARG A 74 11.792 5.386 -9.569 1.00 1.14 H new ATOM 0 HA ARG A 74 9.620 3.769 -8.566 1.00 1.05 H new ATOM 0 HB2 ARG A 74 12.554 4.053 -7.924 1.00 1.22 H new ATOM 0 HB3 ARG A 74 11.495 3.285 -6.758 1.00 1.22 H new ATOM 0 HG2 ARG A 74 10.681 1.784 -8.702 1.00 2.68 H new ATOM 0 HG3 ARG A 74 12.026 2.420 -9.628 1.00 2.68 H new ATOM 0 HD2 ARG A 74 13.641 1.569 -7.956 1.00 2.60 H new ATOM 0 HD3 ARG A 74 12.335 1.047 -6.910 1.00 2.60 H new ATOM 0 HE ARG A 74 13.388 -0.363 -9.206 1.00 3.97 H new ATOM 0 HH11 ARG A 74 10.537 -0.159 -7.085 1.00 4.78 H new ATOM 0 HH12 ARG A 74 9.794 -1.569 -7.848 1.00 4.78 H new ATOM 0 HH21 ARG A 74 12.175 -1.926 -10.309 1.00 6.39 H new ATOM 0 HH22 ARG A 74 10.675 -2.516 -9.584 1.00 6.39 H new ATOM 1161 N VAL A 75 9.093 4.875 -6.313 1.00 1.01 N ATOM 1162 CA VAL A 75 8.664 5.496 -5.044 1.00 1.12 C ATOM 1163 C VAL A 75 8.387 4.399 -4.008 1.00 1.02 C ATOM 1164 O VAL A 75 8.476 3.216 -4.330 1.00 1.29 O ATOM 1165 CB VAL A 75 7.406 6.386 -5.227 1.00 1.33 C ATOM 1166 CG1 VAL A 75 7.671 7.590 -6.145 1.00 1.53 C ATOM 1167 CG2 VAL A 75 6.220 5.565 -5.762 1.00 1.31 C ATOM 0 H VAL A 75 8.572 4.024 -6.523 1.00 1.01 H new ATOM 0 HA VAL A 75 9.470 6.143 -4.697 1.00 1.12 H new ATOM 0 HB VAL A 75 7.153 6.773 -4.240 1.00 1.33 H new ATOM 0 HG11 VAL A 75 6.761 8.181 -6.241 1.00 1.53 H new ATOM 0 HG12 VAL A 75 8.461 8.207 -5.717 1.00 1.53 H new ATOM 0 HG13 VAL A 75 7.980 7.236 -7.129 1.00 1.53 H new ATOM 0 HG21 VAL A 75 5.352 6.214 -5.881 1.00 1.31 H new ATOM 0 HG22 VAL A 75 6.483 5.131 -6.727 1.00 1.31 H new ATOM 0 HG23 VAL A 75 5.983 4.767 -5.058 1.00 1.31 H new ATOM 1177 N GLU A 76 7.995 4.778 -2.790 1.00 0.93 N ATOM 1178 CA GLU A 76 7.425 3.866 -1.799 1.00 0.93 C ATOM 1179 C GLU A 76 6.024 4.314 -1.375 1.00 1.14 C ATOM 1180 O GLU A 76 5.789 5.483 -1.053 1.00 1.41 O ATOM 1181 CB GLU A 76 8.280 3.804 -0.527 1.00 1.22 C ATOM 1182 CG GLU A 76 9.536 2.931 -0.588 1.00 1.59 C ATOM 1183 CD GLU A 76 10.206 2.931 0.791 1.00 2.54 C ATOM 1184 OE1 GLU A 76 9.518 2.563 1.770 1.00 3.70 O ATOM 1185 OE2 GLU A 76 11.354 3.411 0.876 1.00 3.00 O ATOM 0 H GLU A 76 8.066 5.741 -2.461 1.00 0.93 H new ATOM 0 HA GLU A 76 7.389 2.887 -2.278 1.00 0.93 H new ATOM 0 HB2 GLU A 76 8.583 4.819 -0.270 1.00 1.22 H new ATOM 0 HB3 GLU A 76 7.653 3.442 0.288 1.00 1.22 H new ATOM 0 HG2 GLU A 76 9.275 1.914 -0.880 1.00 1.59 H new ATOM 0 HG3 GLU A 76 10.224 3.313 -1.342 1.00 1.59 H new ATOM 1192 N LEU A 77 5.131 3.338 -1.218 1.00 1.05 N ATOM 1193 CA LEU A 77 4.118 3.384 -0.176 1.00 0.93 C ATOM 1194 C LEU A 77 4.836 3.114 1.153 1.00 0.98 C ATOM 1195 O LEU A 77 4.815 2.003 1.684 1.00 1.15 O ATOM 1196 CB LEU A 77 2.992 2.373 -0.450 1.00 0.81 C ATOM 1197 CG LEU A 77 2.061 2.729 -1.625 1.00 0.79 C ATOM 1198 CD1 LEU A 77 2.625 2.296 -2.989 1.00 0.87 C ATOM 1199 CD2 LEU A 77 0.716 2.033 -1.387 1.00 0.74 C ATOM 0 H LEU A 77 5.092 2.504 -1.804 1.00 1.05 H new ATOM 0 HA LEU A 77 3.631 4.359 -0.144 1.00 0.93 H new ATOM 0 HB2 LEU A 77 3.440 1.399 -0.645 1.00 0.81 H new ATOM 0 HB3 LEU A 77 2.389 2.272 0.452 1.00 0.81 H new ATOM 0 HG LEU A 77 1.956 3.813 -1.660 1.00 0.79 H new ATOM 0 HD11 LEU A 77 1.925 2.574 -3.777 1.00 0.87 H new ATOM 0 HD12 LEU A 77 3.581 2.791 -3.161 1.00 0.87 H new ATOM 0 HD13 LEU A 77 2.770 1.216 -2.997 1.00 0.87 H new ATOM 0 HD21 LEU A 77 0.035 2.268 -2.205 1.00 0.74 H new ATOM 0 HD22 LEU A 77 0.868 0.955 -1.339 1.00 0.74 H new ATOM 0 HD23 LEU A 77 0.287 2.381 -0.447 1.00 0.74 H new ATOM 1211 N LYS A 78 5.535 4.136 1.651 1.00 1.19 N ATOM 1212 CA LYS A 78 6.333 4.078 2.877 1.00 1.34 C ATOM 1213 C LYS A 78 5.426 4.296 4.106 1.00 1.24 C ATOM 1214 O LYS A 78 4.574 5.187 4.039 1.00 1.17 O ATOM 1215 CB LYS A 78 7.463 5.131 2.823 1.00 1.44 C ATOM 1216 CG LYS A 78 7.055 6.459 2.152 1.00 1.49 C ATOM 1217 CD LYS A 78 7.946 7.646 2.531 1.00 1.40 C ATOM 1218 CE LYS A 78 7.702 7.973 4.006 1.00 2.47 C ATOM 1219 NZ LYS A 78 7.968 9.391 4.339 1.00 3.79 N ATOM 0 H LYS A 78 5.562 5.051 1.201 1.00 1.19 H new ATOM 0 HA LYS A 78 6.792 3.093 2.964 1.00 1.34 H new ATOM 0 HB2 LYS A 78 7.801 5.338 3.838 1.00 1.44 H new ATOM 0 HB3 LYS A 78 8.312 4.710 2.284 1.00 1.44 H new ATOM 0 HG2 LYS A 78 7.079 6.330 1.070 1.00 1.49 H new ATOM 0 HG3 LYS A 78 6.025 6.690 2.423 1.00 1.49 H new ATOM 0 HD2 LYS A 78 8.995 7.403 2.364 1.00 1.40 H new ATOM 0 HD3 LYS A 78 7.716 8.509 1.907 1.00 1.40 H new ATOM 0 HE2 LYS A 78 6.669 7.734 4.259 1.00 2.47 H new ATOM 0 HE3 LYS A 78 8.336 7.336 4.623 1.00 2.47 H new ATOM 0 HZ1 LYS A 78 7.273 9.719 5.040 1.00 3.79 H new ATOM 0 HZ2 LYS A 78 8.926 9.481 4.733 1.00 3.79 H new ATOM 0 HZ3 LYS A 78 7.892 9.970 3.478 1.00 3.79 H new ATOM 1233 N PRO A 79 5.640 3.603 5.245 1.00 1.37 N ATOM 1234 CA PRO A 79 4.712 3.571 6.382 1.00 1.39 C ATOM 1235 C PRO A 79 4.247 4.945 6.876 1.00 1.21 C ATOM 1236 O PRO A 79 3.044 5.191 6.893 1.00 1.26 O ATOM 1237 CB PRO A 79 5.403 2.739 7.473 1.00 1.65 C ATOM 1238 CG PRO A 79 6.869 2.683 7.040 1.00 1.75 C ATOM 1239 CD PRO A 79 6.777 2.739 5.519 1.00 1.60 C ATOM 0 HA PRO A 79 3.772 3.116 6.070 1.00 1.39 H new ATOM 0 HB2 PRO A 79 5.296 3.203 8.454 1.00 1.65 H new ATOM 0 HB3 PRO A 79 4.972 1.741 7.544 1.00 1.65 H new ATOM 0 HG2 PRO A 79 7.441 3.520 7.441 1.00 1.75 H new ATOM 0 HG3 PRO A 79 7.357 1.770 7.382 1.00 1.75 H new ATOM 0 HD2 PRO A 79 7.692 3.139 5.082 1.00 1.60 H new ATOM 0 HD3 PRO A 79 6.630 1.746 5.095 1.00 1.60 H new ATOM 1247 N GLY A 80 5.164 5.857 7.222 1.00 1.13 N ATOM 1248 CA GLY A 80 4.829 7.254 7.544 1.00 1.05 C ATOM 1249 C GLY A 80 4.800 8.108 6.280 1.00 0.92 C ATOM 1250 O GLY A 80 5.734 8.881 6.043 1.00 1.16 O ATOM 0 H GLY A 80 6.160 5.649 7.287 1.00 1.13 H new ATOM 0 HA2 GLY A 80 3.859 7.295 8.039 1.00 1.05 H new ATOM 0 HA3 GLY A 80 5.561 7.657 8.244 1.00 1.05 H new ATOM 1254 N GLY A 81 3.786 7.901 5.431 1.00 0.84 N ATOM 1255 CA GLY A 81 3.722 8.397 4.049 1.00 0.82 C ATOM 1256 C GLY A 81 2.441 8.013 3.308 1.00 0.74 C ATOM 1257 O GLY A 81 1.567 8.847 3.110 1.00 0.90 O ATOM 0 H GLY A 81 2.959 7.366 5.695 1.00 0.84 H new ATOM 0 HA2 GLY A 81 3.811 9.483 4.059 1.00 0.82 H new ATOM 0 HA3 GLY A 81 4.579 8.012 3.496 1.00 0.82 H new ATOM 1261 N TYR A 82 2.365 6.762 2.867 1.00 0.63 N ATOM 1262 CA TYR A 82 1.278 6.162 2.079 1.00 0.60 C ATOM 1263 C TYR A 82 1.291 4.652 2.313 1.00 0.60 C ATOM 1264 O TYR A 82 2.362 4.060 2.421 1.00 0.65 O ATOM 1265 CB TYR A 82 1.437 6.456 0.580 1.00 0.62 C ATOM 1266 CG TYR A 82 1.471 7.922 0.201 1.00 0.61 C ATOM 1267 CD1 TYR A 82 0.273 8.658 0.101 1.00 1.61 C ATOM 1268 CD2 TYR A 82 2.708 8.549 -0.058 1.00 1.82 C ATOM 1269 CE1 TYR A 82 0.309 10.028 -0.219 1.00 1.68 C ATOM 1270 CE2 TYR A 82 2.748 9.918 -0.381 1.00 1.80 C ATOM 1271 CZ TYR A 82 1.549 10.661 -0.452 1.00 0.67 C ATOM 1272 OH TYR A 82 1.595 11.988 -0.752 1.00 0.75 O ATOM 0 H TYR A 82 3.108 6.090 3.060 1.00 0.63 H new ATOM 0 HA TYR A 82 0.330 6.595 2.399 1.00 0.60 H new ATOM 0 HB2 TYR A 82 2.358 5.988 0.232 1.00 0.62 H new ATOM 0 HB3 TYR A 82 0.615 5.980 0.045 1.00 0.62 H new ATOM 0 HD1 TYR A 82 -0.675 8.169 0.270 1.00 1.61 H new ATOM 0 HD2 TYR A 82 3.624 7.979 -0.008 1.00 1.82 H new ATOM 0 HE1 TYR A 82 -0.609 10.593 -0.286 1.00 1.68 H new ATOM 0 HE2 TYR A 82 3.695 10.400 -0.574 1.00 1.80 H new ATOM 0 HH TYR A 82 2.527 12.262 -0.881 1.00 0.75 H new ATOM 1282 N HIS A 83 0.136 4.006 2.399 1.00 0.60 N ATOM 1283 CA HIS A 83 0.054 2.588 2.772 1.00 0.63 C ATOM 1284 C HIS A 83 -1.306 1.985 2.401 1.00 0.61 C ATOM 1285 O HIS A 83 -2.182 2.697 1.905 1.00 0.63 O ATOM 1286 CB HIS A 83 0.376 2.435 4.272 1.00 0.70 C ATOM 1287 CG HIS A 83 -0.645 3.014 5.216 1.00 0.60 C ATOM 1288 ND1 HIS A 83 -0.795 4.338 5.569 1.00 0.67 N ATOM 1289 CD2 HIS A 83 -1.543 2.300 5.961 1.00 0.78 C ATOM 1290 CE1 HIS A 83 -1.757 4.409 6.499 1.00 0.70 C ATOM 1291 NE2 HIS A 83 -2.237 3.186 6.783 1.00 0.80 N ATOM 0 H HIS A 83 -0.768 4.441 2.215 1.00 0.60 H new ATOM 0 HA HIS A 83 0.795 2.025 2.204 1.00 0.63 H new ATOM 0 HB2 HIS A 83 0.491 1.374 4.495 1.00 0.70 H new ATOM 0 HB3 HIS A 83 1.338 2.908 4.470 1.00 0.70 H new ATOM 0 HD2 HIS A 83 -1.689 1.231 5.919 1.00 0.78 H new ATOM 0 HE1 HIS A 83 -2.100 5.324 6.958 1.00 0.70 H new ATOM 0 HE2 HIS A 83 -2.962 2.954 7.462 1.00 0.80 H new ATOM 1299 N PHE A 84 -1.509 0.694 2.669 1.00 0.75 N ATOM 1300 CA PHE A 84 -2.833 0.078 2.586 1.00 0.82 C ATOM 1301 C PHE A 84 -3.368 -0.264 3.975 1.00 0.90 C ATOM 1302 O PHE A 84 -2.633 -0.805 4.804 1.00 1.17 O ATOM 1303 CB PHE A 84 -2.782 -1.176 1.704 1.00 0.86 C ATOM 1304 CG PHE A 84 -2.442 -0.898 0.258 1.00 0.84 C ATOM 1305 CD1 PHE A 84 -3.363 -0.208 -0.554 1.00 1.77 C ATOM 1306 CD2 PHE A 84 -1.217 -1.326 -0.286 1.00 1.96 C ATOM 1307 CE1 PHE A 84 -3.062 0.048 -1.898 1.00 1.72 C ATOM 1308 CE2 PHE A 84 -0.912 -1.055 -1.632 1.00 2.05 C ATOM 1309 CZ PHE A 84 -1.823 -0.342 -2.429 1.00 0.96 C ATOM 0 H PHE A 84 -0.767 0.051 2.947 1.00 0.75 H new ATOM 0 HA PHE A 84 -3.515 0.797 2.132 1.00 0.82 H new ATOM 0 HB2 PHE A 84 -2.044 -1.866 2.114 1.00 0.86 H new ATOM 0 HB3 PHE A 84 -3.748 -1.679 1.749 1.00 0.86 H new ATOM 0 HD1 PHE A 84 -4.303 0.124 -0.140 1.00 1.77 H new ATOM 0 HD2 PHE A 84 -0.511 -1.863 0.330 1.00 1.96 H new ATOM 0 HE1 PHE A 84 -3.785 0.546 -2.527 1.00 1.72 H new ATOM 0 HE2 PHE A 84 0.023 -1.395 -2.053 1.00 2.05 H new ATOM 0 HZ PHE A 84 -1.570 -0.094 -3.449 1.00 0.96 H new ATOM 1319 N MET A 85 -4.665 -0.033 4.176 1.00 0.69 N ATOM 1320 CA MET A 85 -5.468 -0.738 5.179 1.00 0.60 C ATOM 1321 C MET A 85 -6.097 -1.981 4.547 1.00 0.51 C ATOM 1322 O MET A 85 -6.603 -1.912 3.426 1.00 0.62 O ATOM 1323 CB MET A 85 -6.545 0.194 5.755 1.00 0.67 C ATOM 1324 CG MET A 85 -6.041 0.923 7.005 1.00 0.82 C ATOM 1325 SD MET A 85 -5.824 -0.146 8.454 1.00 1.16 S ATOM 1326 CE MET A 85 -4.020 -0.161 8.540 1.00 0.85 C ATOM 0 H MET A 85 -5.195 0.656 3.642 1.00 0.69 H new ATOM 0 HA MET A 85 -4.825 -1.051 6.002 1.00 0.60 H new ATOM 0 HB2 MET A 85 -6.839 0.923 5.000 1.00 0.67 H new ATOM 0 HB3 MET A 85 -7.435 -0.385 6.003 1.00 0.67 H new ATOM 0 HG2 MET A 85 -5.089 1.400 6.774 1.00 0.82 H new ATOM 0 HG3 MET A 85 -6.743 1.718 7.256 1.00 0.82 H new ATOM 0 HE1 MET A 85 -3.705 -0.591 9.490 1.00 0.85 H new ATOM 0 HE2 MET A 85 -3.622 -0.759 7.721 1.00 0.85 H new ATOM 0 HE3 MET A 85 -3.643 0.859 8.461 1.00 0.85 H new ATOM 1336 N LEU A 86 -6.056 -3.104 5.273 1.00 0.48 N ATOM 1337 CA LEU A 86 -6.627 -4.397 4.882 1.00 0.43 C ATOM 1338 C LEU A 86 -7.640 -4.841 5.946 1.00 0.45 C ATOM 1339 O LEU A 86 -7.388 -4.690 7.145 1.00 0.62 O ATOM 1340 CB LEU A 86 -5.518 -5.467 4.748 1.00 0.49 C ATOM 1341 CG LEU A 86 -4.542 -5.388 3.551 1.00 0.70 C ATOM 1342 CD1 LEU A 86 -5.274 -5.310 2.206 1.00 2.65 C ATOM 1343 CD2 LEU A 86 -3.531 -4.238 3.651 1.00 1.81 C ATOM 0 H LEU A 86 -5.605 -3.138 6.187 1.00 0.48 H new ATOM 0 HA LEU A 86 -7.120 -4.287 3.916 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -4.923 -5.440 5.661 1.00 0.49 H new ATOM 0 HB3 LEU A 86 -6.004 -6.442 4.713 1.00 0.49 H new ATOM 0 HG LEU A 86 -3.982 -6.322 3.598 1.00 0.70 H new ATOM 0 HD11 LEU A 86 -4.545 -5.256 1.398 1.00 2.65 H new ATOM 0 HD12 LEU A 86 -5.894 -6.197 2.077 1.00 2.65 H new ATOM 0 HD13 LEU A 86 -5.904 -4.421 2.186 1.00 2.65 H new ATOM 0 HD21 LEU A 86 -2.881 -4.248 2.776 1.00 1.81 H new ATOM 0 HD22 LEU A 86 -4.064 -3.288 3.697 1.00 1.81 H new ATOM 0 HD23 LEU A 86 -2.929 -4.360 4.551 1.00 1.81 H new ATOM 1355 N LEU A 87 -8.768 -5.416 5.521 1.00 0.70 N ATOM 1356 CA LEU A 87 -9.862 -5.837 6.408 1.00 0.91 C ATOM 1357 C LEU A 87 -10.434 -7.201 6.005 1.00 0.97 C ATOM 1358 O LEU A 87 -10.390 -7.580 4.837 1.00 1.29 O ATOM 1359 CB LEU A 87 -10.952 -4.740 6.420 1.00 1.02 C ATOM 1360 CG LEU A 87 -10.955 -3.891 7.706 1.00 1.55 C ATOM 1361 CD1 LEU A 87 -11.843 -2.656 7.506 1.00 1.40 C ATOM 1362 CD2 LEU A 87 -11.482 -4.700 8.903 1.00 3.40 C ATOM 0 H LEU A 87 -8.952 -5.606 4.536 1.00 0.70 H new ATOM 0 HA LEU A 87 -9.470 -5.962 7.417 1.00 0.91 H new ATOM 0 HB2 LEU A 87 -10.806 -4.084 5.562 1.00 1.02 H new ATOM 0 HB3 LEU A 87 -11.929 -5.208 6.301 1.00 1.02 H new ATOM 0 HG LEU A 87 -9.929 -3.587 7.914 1.00 1.55 H new ATOM 0 HD11 LEU A 87 -11.844 -2.057 8.417 1.00 1.40 H new ATOM 0 HD12 LEU A 87 -11.456 -2.060 6.680 1.00 1.40 H new ATOM 0 HD13 LEU A 87 -12.861 -2.973 7.279 1.00 1.40 H new ATOM 0 HD21 LEU A 87 -11.473 -4.076 9.796 1.00 3.40 H new ATOM 0 HD22 LEU A 87 -12.501 -5.028 8.700 1.00 3.40 H new ATOM 0 HD23 LEU A 87 -10.846 -5.571 9.062 1.00 3.40 H new ATOM 1374 N GLY A 88 -10.993 -7.937 6.974 1.00 0.86 N ATOM 1375 CA GLY A 88 -11.643 -9.234 6.740 1.00 0.91 C ATOM 1376 C GLY A 88 -10.625 -10.327 6.421 1.00 1.04 C ATOM 1377 O GLY A 88 -10.644 -10.884 5.322 1.00 1.59 O ATOM 0 H GLY A 88 -11.007 -7.647 7.952 1.00 0.86 H new ATOM 0 HA2 GLY A 88 -12.217 -9.518 7.622 1.00 0.91 H new ATOM 0 HA3 GLY A 88 -12.350 -9.143 5.915 1.00 0.91 H new ATOM 1381 N LEU A 89 -9.690 -10.605 7.336 1.00 0.87 N ATOM 1382 CA LEU A 89 -8.657 -11.619 7.107 1.00 1.03 C ATOM 1383 C LEU A 89 -9.240 -13.031 7.235 1.00 1.22 C ATOM 1384 O LEU A 89 -9.542 -13.523 8.317 1.00 1.34 O ATOM 1385 CB LEU A 89 -7.435 -11.402 8.012 1.00 0.98 C ATOM 1386 CG LEU A 89 -6.829 -9.987 7.982 1.00 0.80 C ATOM 1387 CD1 LEU A 89 -5.470 -10.014 8.678 1.00 0.97 C ATOM 1388 CD2 LEU A 89 -6.650 -9.394 6.576 1.00 1.09 C ATOM 0 H LEU A 89 -9.628 -10.141 8.242 1.00 0.87 H new ATOM 0 HA LEU A 89 -8.299 -11.510 6.083 1.00 1.03 H new ATOM 0 HB2 LEU A 89 -7.719 -11.635 9.038 1.00 0.98 H new ATOM 0 HB3 LEU A 89 -6.662 -12.115 7.726 1.00 0.98 H new ATOM 0 HG LEU A 89 -7.544 -9.344 8.495 1.00 0.80 H new ATOM 0 HD11 LEU A 89 -5.033 -9.016 8.662 1.00 0.97 H new ATOM 0 HD12 LEU A 89 -5.597 -10.338 9.711 1.00 0.97 H new ATOM 0 HD13 LEU A 89 -4.809 -10.708 8.159 1.00 0.97 H new ATOM 0 HD21 LEU A 89 -6.218 -8.397 6.654 1.00 1.09 H new ATOM 0 HD22 LEU A 89 -5.986 -10.033 5.994 1.00 1.09 H new ATOM 0 HD23 LEU A 89 -7.619 -9.331 6.081 1.00 1.09 H new ATOM 1400 N LYS A 90 -9.377 -13.702 6.094 1.00 1.45 N ATOM 1401 CA LYS A 90 -9.994 -15.030 5.951 1.00 1.69 C ATOM 1402 C LYS A 90 -9.164 -16.205 6.532 1.00 1.86 C ATOM 1403 O LYS A 90 -9.633 -17.341 6.593 1.00 2.07 O ATOM 1404 CB LYS A 90 -10.421 -15.186 4.489 1.00 1.92 C ATOM 1405 CG LYS A 90 -9.286 -15.025 3.468 1.00 1.92 C ATOM 1406 CD LYS A 90 -9.869 -14.623 2.112 1.00 1.65 C ATOM 1407 CE LYS A 90 -9.953 -13.089 2.013 1.00 2.08 C ATOM 1408 NZ LYS A 90 -9.969 -12.621 0.607 1.00 2.48 N ATOM 0 H LYS A 90 -9.050 -13.325 5.204 1.00 1.45 H new ATOM 0 HA LYS A 90 -10.879 -15.087 6.584 1.00 1.69 H new ATOM 0 HB2 LYS A 90 -10.871 -16.170 4.359 1.00 1.92 H new ATOM 0 HB3 LYS A 90 -11.195 -14.450 4.270 1.00 1.92 H new ATOM 0 HG2 LYS A 90 -8.580 -14.268 3.810 1.00 1.92 H new ATOM 0 HG3 LYS A 90 -8.732 -15.959 3.375 1.00 1.92 H new ATOM 0 HD2 LYS A 90 -9.246 -15.015 1.308 1.00 1.65 H new ATOM 0 HD3 LYS A 90 -10.860 -15.059 1.989 1.00 1.65 H new ATOM 0 HE2 LYS A 90 -10.853 -12.742 2.520 1.00 2.08 H new ATOM 0 HE3 LYS A 90 -9.104 -12.646 2.533 1.00 2.08 H new ATOM 0 HZ1 LYS A 90 -9.958 -11.581 0.587 1.00 2.48 H new ATOM 0 HZ2 LYS A 90 -9.131 -12.986 0.110 1.00 2.48 H new ATOM 0 HZ3 LYS A 90 -10.829 -12.967 0.136 1.00 2.48 H new ATOM 1422 N ARG A 91 -7.935 -15.916 6.977 1.00 1.87 N ATOM 1423 CA ARG A 91 -7.141 -16.657 7.963 1.00 2.10 C ATOM 1424 C ARG A 91 -6.351 -15.638 8.813 1.00 1.84 C ATOM 1425 O ARG A 91 -6.099 -14.549 8.294 1.00 1.74 O ATOM 1426 CB ARG A 91 -6.116 -17.569 7.270 1.00 2.44 C ATOM 1427 CG ARG A 91 -6.737 -18.676 6.409 1.00 3.66 C ATOM 1428 CD ARG A 91 -5.614 -19.604 5.936 1.00 3.73 C ATOM 1429 NE ARG A 91 -6.075 -20.628 4.976 1.00 4.36 N ATOM 1430 CZ ARG A 91 -6.861 -21.675 5.210 1.00 5.83 C ATOM 1431 NH1 ARG A 91 -7.416 -21.906 6.384 1.00 6.99 N ATOM 1432 NH2 ARG A 91 -7.112 -22.520 4.234 1.00 6.58 N ATOM 0 H ARG A 91 -7.433 -15.098 6.631 1.00 1.87 H new ATOM 0 HA ARG A 91 -7.815 -17.262 8.569 1.00 2.10 H new ATOM 0 HB2 ARG A 91 -5.468 -16.957 6.642 1.00 2.44 H new ATOM 0 HB3 ARG A 91 -5.483 -18.028 8.030 1.00 2.44 H new ATOM 0 HG2 ARG A 91 -7.475 -19.235 6.984 1.00 3.66 H new ATOM 0 HG3 ARG A 91 -7.259 -18.245 5.555 1.00 3.66 H new ATOM 0 HD2 ARG A 91 -4.829 -19.007 5.472 1.00 3.73 H new ATOM 0 HD3 ARG A 91 -5.171 -20.098 6.800 1.00 3.73 H new ATOM 0 HE ARG A 91 -5.750 -20.518 4.015 1.00 4.36 H new ATOM 0 HH11 ARG A 91 -7.249 -21.267 7.161 1.00 6.99 H new ATOM 0 HH12 ARG A 91 -8.012 -22.723 6.514 1.00 6.99 H new ATOM 0 HH21 ARG A 91 -6.705 -22.368 3.311 1.00 6.58 H new ATOM 0 HH22 ARG A 91 -7.713 -23.327 4.400 1.00 6.58 H new ATOM 1446 N PRO A 92 -5.896 -15.984 10.032 1.00 1.79 N ATOM 1447 CA PRO A 92 -4.771 -15.301 10.662 1.00 1.57 C ATOM 1448 C PRO A 92 -3.482 -15.590 9.876 1.00 1.62 C ATOM 1449 O PRO A 92 -3.402 -16.588 9.156 1.00 1.82 O ATOM 1450 CB PRO A 92 -4.712 -15.854 12.088 1.00 1.66 C ATOM 1451 CG PRO A 92 -5.220 -17.284 11.916 1.00 1.90 C ATOM 1452 CD PRO A 92 -6.279 -17.150 10.819 1.00 2.02 C ATOM 0 HA PRO A 92 -4.884 -14.217 10.674 1.00 1.57 H new ATOM 0 HB2 PRO A 92 -3.699 -15.830 12.490 1.00 1.66 H new ATOM 0 HB3 PRO A 92 -5.339 -15.281 12.771 1.00 1.66 H new ATOM 0 HG2 PRO A 92 -4.420 -17.963 11.622 1.00 1.90 H new ATOM 0 HG3 PRO A 92 -5.645 -17.674 12.841 1.00 1.90 H new ATOM 0 HD2 PRO A 92 -6.314 -18.045 10.198 1.00 2.02 H new ATOM 0 HD3 PRO A 92 -7.272 -17.022 11.249 1.00 2.02 H new ATOM 1460 N LEU A 93 -2.489 -14.707 10.016 1.00 1.70 N ATOM 1461 CA LEU A 93 -1.200 -14.754 9.307 1.00 1.83 C ATOM 1462 C LEU A 93 -0.046 -15.159 10.240 1.00 1.79 C ATOM 1463 O LEU A 93 -0.157 -15.077 11.465 1.00 2.29 O ATOM 1464 CB LEU A 93 -0.927 -13.363 8.684 1.00 1.80 C ATOM 1465 CG LEU A 93 -1.518 -13.150 7.274 1.00 2.08 C ATOM 1466 CD1 LEU A 93 -3.047 -13.285 7.225 1.00 2.74 C ATOM 1467 CD2 LEU A 93 -1.129 -11.749 6.777 1.00 1.92 C ATOM 0 H LEU A 93 -2.560 -13.910 10.648 1.00 1.70 H new ATOM 0 HA LEU A 93 -1.258 -15.513 8.527 1.00 1.83 H new ATOM 0 HB2 LEU A 93 -1.329 -12.599 9.349 1.00 1.80 H new ATOM 0 HB3 LEU A 93 0.151 -13.209 8.636 1.00 1.80 H new ATOM 0 HG LEU A 93 -1.107 -13.933 6.637 1.00 2.08 H new ATOM 0 HD11 LEU A 93 -3.394 -13.123 6.204 1.00 2.74 H new ATOM 0 HD12 LEU A 93 -3.335 -14.284 7.552 1.00 2.74 H new ATOM 0 HD13 LEU A 93 -3.499 -12.544 7.884 1.00 2.74 H new ATOM 0 HD21 LEU A 93 -1.542 -11.589 5.781 1.00 1.92 H new ATOM 0 HD22 LEU A 93 -1.526 -10.998 7.460 1.00 1.92 H new ATOM 0 HD23 LEU A 93 -0.043 -11.666 6.737 1.00 1.92 H new ATOM 1479 N LYS A 94 1.110 -15.500 9.661 1.00 1.44 N ATOM 1480 CA LYS A 94 2.353 -15.794 10.379 1.00 1.53 C ATOM 1481 C LYS A 94 3.566 -15.113 9.709 1.00 1.38 C ATOM 1482 O LYS A 94 3.761 -15.192 8.500 1.00 1.70 O ATOM 1483 CB LYS A 94 2.468 -17.330 10.482 1.00 1.94 C ATOM 1484 CG LYS A 94 3.790 -17.860 11.058 1.00 2.76 C ATOM 1485 CD LYS A 94 4.788 -18.360 9.998 1.00 3.20 C ATOM 1486 CE LYS A 94 4.428 -19.734 9.406 1.00 3.51 C ATOM 1487 NZ LYS A 94 3.933 -19.649 8.011 1.00 3.69 N ATOM 0 H LYS A 94 1.209 -15.581 8.649 1.00 1.44 H new ATOM 0 HA LYS A 94 2.339 -15.379 11.387 1.00 1.53 H new ATOM 0 HB2 LYS A 94 1.650 -17.697 11.102 1.00 1.94 H new ATOM 0 HB3 LYS A 94 2.330 -17.754 9.487 1.00 1.94 H new ATOM 0 HG2 LYS A 94 4.262 -17.069 11.640 1.00 2.76 H new ATOM 0 HG3 LYS A 94 3.571 -18.675 11.747 1.00 2.76 H new ATOM 0 HD2 LYS A 94 4.842 -17.630 9.191 1.00 3.20 H new ATOM 0 HD3 LYS A 94 5.781 -18.416 10.445 1.00 3.20 H new ATOM 0 HE2 LYS A 94 5.307 -20.378 9.436 1.00 3.51 H new ATOM 0 HE3 LYS A 94 3.667 -20.204 10.028 1.00 3.51 H new ATOM 0 HZ1 LYS A 94 3.867 -20.605 7.607 1.00 3.69 H new ATOM 0 HZ2 LYS A 94 2.993 -19.204 8.003 1.00 3.69 H new ATOM 0 HZ3 LYS A 94 4.591 -19.078 7.443 1.00 3.69 H new ATOM 1501 N ALA A 95 4.430 -14.472 10.505 1.00 1.30 N ATOM 1502 CA ALA A 95 5.694 -13.905 10.019 1.00 1.23 C ATOM 1503 C ALA A 95 6.584 -15.014 9.435 1.00 1.29 C ATOM 1504 O ALA A 95 6.811 -16.026 10.097 1.00 1.59 O ATOM 1505 CB ALA A 95 6.377 -13.141 11.160 1.00 1.46 C ATOM 0 H ALA A 95 4.273 -14.332 11.503 1.00 1.30 H new ATOM 0 HA ALA A 95 5.504 -13.197 9.212 1.00 1.23 H new ATOM 0 HB1 ALA A 95 7.316 -12.718 10.804 1.00 1.46 H new ATOM 0 HB2 ALA A 95 5.724 -12.338 11.502 1.00 1.46 H new ATOM 0 HB3 ALA A 95 6.577 -13.823 11.986 1.00 1.46 H new ATOM 1511 N GLY A 96 7.031 -14.848 8.186 1.00 1.22 N ATOM 1512 CA GLY A 96 7.552 -15.951 7.366 1.00 1.35 C ATOM 1513 C GLY A 96 6.457 -16.647 6.549 1.00 1.47 C ATOM 1514 O GLY A 96 6.289 -17.866 6.651 1.00 2.21 O ATOM 0 H GLY A 96 7.043 -13.944 7.713 1.00 1.22 H new ATOM 0 HA2 GLY A 96 8.316 -15.567 6.690 1.00 1.35 H new ATOM 0 HA3 GLY A 96 8.037 -16.682 8.013 1.00 1.35 H new ATOM 1518 N GLU A 97 5.723 -15.857 5.756 1.00 1.19 N ATOM 1519 CA GLU A 97 4.837 -16.263 4.662 1.00 1.17 C ATOM 1520 C GLU A 97 4.938 -15.236 3.531 1.00 0.99 C ATOM 1521 O GLU A 97 5.348 -14.093 3.756 1.00 0.96 O ATOM 1522 CB GLU A 97 3.369 -16.289 5.112 1.00 1.38 C ATOM 1523 CG GLU A 97 3.158 -17.374 6.158 1.00 1.89 C ATOM 1524 CD GLU A 97 1.776 -17.473 6.788 1.00 1.90 C ATOM 1525 OE1 GLU A 97 1.068 -16.454 6.937 1.00 2.49 O ATOM 1526 OE2 GLU A 97 1.524 -18.606 7.265 1.00 2.75 O ATOM 0 H GLU A 97 5.735 -14.844 5.872 1.00 1.19 H new ATOM 0 HA GLU A 97 5.142 -17.259 4.340 1.00 1.17 H new ATOM 0 HB2 GLU A 97 3.090 -15.319 5.523 1.00 1.38 H new ATOM 0 HB3 GLU A 97 2.721 -16.470 4.254 1.00 1.38 H new ATOM 0 HG2 GLU A 97 3.390 -18.335 5.699 1.00 1.89 H new ATOM 0 HG3 GLU A 97 3.883 -17.219 6.957 1.00 1.89 H new ATOM 1533 N GLU A 98 4.521 -15.648 2.341 1.00 1.07 N ATOM 1534 CA GLU A 98 4.485 -14.872 1.108 1.00 1.05 C ATOM 1535 C GLU A 98 3.055 -14.394 0.795 1.00 0.93 C ATOM 1536 O GLU A 98 2.143 -15.192 0.597 1.00 1.18 O ATOM 1537 CB GLU A 98 5.021 -15.715 -0.069 1.00 1.39 C ATOM 1538 CG GLU A 98 6.469 -16.220 0.101 1.00 2.05 C ATOM 1539 CD GLU A 98 6.596 -17.621 0.722 1.00 3.37 C ATOM 1540 OE1 GLU A 98 5.755 -17.978 1.582 1.00 4.38 O ATOM 1541 OE2 GLU A 98 7.565 -18.316 0.350 1.00 4.36 O ATOM 0 H GLU A 98 4.176 -16.598 2.202 1.00 1.07 H new ATOM 0 HA GLU A 98 5.120 -13.996 1.244 1.00 1.05 H new ATOM 0 HB2 GLU A 98 4.366 -16.575 -0.209 1.00 1.39 H new ATOM 0 HB3 GLU A 98 4.964 -15.119 -0.980 1.00 1.39 H new ATOM 0 HG2 GLU A 98 6.954 -16.226 -0.875 1.00 2.05 H new ATOM 0 HG3 GLU A 98 7.015 -15.511 0.724 1.00 2.05 H new ATOM 1548 N VAL A 99 2.856 -13.080 0.706 1.00 0.83 N ATOM 1549 CA VAL A 99 1.621 -12.446 0.212 1.00 0.76 C ATOM 1550 C VAL A 99 1.764 -12.134 -1.270 1.00 0.78 C ATOM 1551 O VAL A 99 2.693 -11.426 -1.650 1.00 0.96 O ATOM 1552 CB VAL A 99 1.303 -11.148 0.996 1.00 0.79 C ATOM 1553 CG1 VAL A 99 0.280 -10.247 0.267 1.00 0.89 C ATOM 1554 CG2 VAL A 99 0.743 -11.536 2.372 1.00 0.78 C ATOM 0 H VAL A 99 3.566 -12.402 0.982 1.00 0.83 H new ATOM 0 HA VAL A 99 0.796 -13.142 0.363 1.00 0.76 H new ATOM 0 HB VAL A 99 2.227 -10.577 1.088 1.00 0.79 H new ATOM 0 HG11 VAL A 99 0.095 -9.352 0.861 1.00 0.89 H new ATOM 0 HG12 VAL A 99 0.677 -9.960 -0.707 1.00 0.89 H new ATOM 0 HG13 VAL A 99 -0.654 -10.793 0.132 1.00 0.89 H new ATOM 0 HG21 VAL A 99 0.513 -10.634 2.939 1.00 0.78 H new ATOM 0 HG22 VAL A 99 -0.165 -12.124 2.242 1.00 0.78 H new ATOM 0 HG23 VAL A 99 1.483 -12.126 2.913 1.00 0.78 H new ATOM 1564 N GLU A 100 0.788 -12.555 -2.078 1.00 0.72 N ATOM 1565 CA GLU A 100 0.563 -11.970 -3.404 1.00 0.80 C ATOM 1566 C GLU A 100 -0.188 -10.639 -3.296 1.00 0.88 C ATOM 1567 O GLU A 100 -1.156 -10.514 -2.538 1.00 0.98 O ATOM 1568 CB GLU A 100 -0.267 -12.878 -4.314 1.00 0.97 C ATOM 1569 CG GLU A 100 0.401 -14.198 -4.708 1.00 1.10 C ATOM 1570 CD GLU A 100 -0.159 -14.689 -6.041 1.00 1.66 C ATOM 1571 OE1 GLU A 100 -1.339 -14.420 -6.364 1.00 2.42 O ATOM 1572 OE2 GLU A 100 0.633 -15.203 -6.860 1.00 2.52 O ATOM 0 H GLU A 100 0.137 -13.303 -1.836 1.00 0.72 H new ATOM 0 HA GLU A 100 1.555 -11.831 -3.833 1.00 0.80 H new ATOM 0 HB2 GLU A 100 -1.209 -13.102 -3.814 1.00 0.97 H new ATOM 0 HB3 GLU A 100 -0.511 -12.328 -5.223 1.00 0.97 H new ATOM 0 HG2 GLU A 100 1.479 -14.060 -4.786 1.00 1.10 H new ATOM 0 HG3 GLU A 100 0.230 -14.947 -3.934 1.00 1.10 H new ATOM 1579 N LEU A 101 0.204 -9.661 -4.114 1.00 0.98 N ATOM 1580 CA LEU A 101 -0.424 -8.344 -4.168 1.00 1.04 C ATOM 1581 C LEU A 101 -0.369 -7.738 -5.570 1.00 1.12 C ATOM 1582 O LEU A 101 0.698 -7.622 -6.173 1.00 1.15 O ATOM 1583 CB LEU A 101 0.242 -7.421 -3.133 1.00 1.11 C ATOM 1584 CG LEU A 101 -0.651 -7.140 -1.924 1.00 1.32 C ATOM 1585 CD1 LEU A 101 0.189 -6.524 -0.820 1.00 1.88 C ATOM 1586 CD2 LEU A 101 -1.765 -6.135 -2.260 1.00 1.43 C ATOM 0 H LEU A 101 0.980 -9.766 -4.768 1.00 0.98 H new ATOM 0 HA LEU A 101 -1.481 -8.455 -3.924 1.00 1.04 H new ATOM 0 HB2 LEU A 101 1.172 -7.876 -2.793 1.00 1.11 H new ATOM 0 HB3 LEU A 101 0.505 -6.477 -3.611 1.00 1.11 H new ATOM 0 HG LEU A 101 -1.097 -8.087 -1.619 1.00 1.32 H new ATOM 0 HD11 LEU A 101 -0.441 -6.321 0.046 1.00 1.88 H new ATOM 0 HD12 LEU A 101 0.982 -7.216 -0.537 1.00 1.88 H new ATOM 0 HD13 LEU A 101 0.630 -5.592 -1.175 1.00 1.88 H new ATOM 0 HD21 LEU A 101 -2.378 -5.962 -1.375 1.00 1.43 H new ATOM 0 HD22 LEU A 101 -1.320 -5.194 -2.584 1.00 1.43 H new ATOM 0 HD23 LEU A 101 -2.388 -6.536 -3.060 1.00 1.43 H new ATOM 1598 N ASP A 102 -1.542 -7.337 -6.048 1.00 1.20 N ATOM 1599 CA ASP A 102 -1.779 -6.679 -7.337 1.00 1.30 C ATOM 1600 C ASP A 102 -1.887 -5.158 -7.159 1.00 1.34 C ATOM 1601 O ASP A 102 -2.934 -4.673 -6.742 1.00 1.33 O ATOM 1602 CB ASP A 102 -3.119 -7.184 -7.894 1.00 1.36 C ATOM 1603 CG ASP A 102 -3.083 -8.570 -8.528 1.00 1.42 C ATOM 1604 OD1 ASP A 102 -2.384 -8.744 -9.546 1.00 2.51 O ATOM 1605 OD2 ASP A 102 -3.830 -9.446 -8.031 1.00 1.87 O ATOM 0 H ASP A 102 -2.405 -7.468 -5.520 1.00 1.20 H new ATOM 0 HA ASP A 102 -0.950 -6.905 -8.008 1.00 1.30 H new ATOM 0 HB2 ASP A 102 -3.849 -7.192 -7.085 1.00 1.36 H new ATOM 0 HB3 ASP A 102 -3.475 -6.472 -8.638 1.00 1.36 H new ATOM 1610 N LEU A 103 -0.855 -4.391 -7.512 1.00 1.39 N ATOM 1611 CA LEU A 103 -0.931 -2.927 -7.612 1.00 1.29 C ATOM 1612 C LEU A 103 -1.821 -2.511 -8.798 1.00 1.20 C ATOM 1613 O LEU A 103 -1.453 -2.734 -9.950 1.00 1.32 O ATOM 1614 CB LEU A 103 0.498 -2.374 -7.775 1.00 1.32 C ATOM 1615 CG LEU A 103 1.428 -2.522 -6.554 1.00 1.57 C ATOM 1616 CD1 LEU A 103 2.820 -2.006 -6.948 1.00 1.80 C ATOM 1617 CD2 LEU A 103 0.883 -1.749 -5.340 1.00 1.88 C ATOM 0 H LEU A 103 0.065 -4.768 -7.739 1.00 1.39 H new ATOM 0 HA LEU A 103 -1.380 -2.516 -6.708 1.00 1.29 H new ATOM 0 HB2 LEU A 103 0.964 -2.874 -8.624 1.00 1.32 H new ATOM 0 HB3 LEU A 103 0.429 -1.316 -8.027 1.00 1.32 H new ATOM 0 HG LEU A 103 1.485 -3.571 -6.263 1.00 1.57 H new ATOM 0 HD11 LEU A 103 3.497 -2.101 -6.099 1.00 1.80 H new ATOM 0 HD12 LEU A 103 3.202 -2.592 -7.784 1.00 1.80 H new ATOM 0 HD13 LEU A 103 2.750 -0.959 -7.241 1.00 1.80 H new ATOM 0 HD21 LEU A 103 1.561 -1.873 -4.495 1.00 1.88 H new ATOM 0 HD22 LEU A 103 0.803 -0.691 -5.589 1.00 1.88 H new ATOM 0 HD23 LEU A 103 -0.101 -2.135 -5.075 1.00 1.88 H new ATOM 1629 N LEU A 104 -2.986 -1.907 -8.524 1.00 1.00 N ATOM 1630 CA LEU A 104 -3.984 -1.515 -9.531 1.00 0.97 C ATOM 1631 C LEU A 104 -3.686 -0.124 -10.086 1.00 0.91 C ATOM 1632 O LEU A 104 -3.593 0.847 -9.328 1.00 0.85 O ATOM 1633 CB LEU A 104 -5.411 -1.493 -8.939 1.00 0.92 C ATOM 1634 CG LEU A 104 -5.866 -2.753 -8.193 1.00 0.93 C ATOM 1635 CD1 LEU A 104 -7.292 -2.567 -7.656 1.00 0.95 C ATOM 1636 CD2 LEU A 104 -5.790 -4.005 -9.077 1.00 0.96 C ATOM 0 H LEU A 104 -3.268 -1.671 -7.572 1.00 1.00 H new ATOM 0 HA LEU A 104 -3.928 -2.259 -10.326 1.00 0.97 H new ATOM 0 HB2 LEU A 104 -5.483 -0.648 -8.255 1.00 0.92 H new ATOM 0 HB3 LEU A 104 -6.114 -1.306 -9.751 1.00 0.92 H new ATOM 0 HG LEU A 104 -5.183 -2.902 -7.357 1.00 0.93 H new ATOM 0 HD11 LEU A 104 -7.603 -3.469 -7.129 1.00 0.95 H new ATOM 0 HD12 LEU A 104 -7.315 -1.720 -6.971 1.00 0.95 H new ATOM 0 HD13 LEU A 104 -7.972 -2.380 -8.487 1.00 0.95 H new ATOM 0 HD21 LEU A 104 -6.122 -4.873 -8.507 1.00 0.96 H new ATOM 0 HD22 LEU A 104 -6.433 -3.875 -9.948 1.00 0.96 H new ATOM 0 HD23 LEU A 104 -4.762 -4.157 -9.405 1.00 0.96 H new ATOM 1648 N PHE A 105 -3.659 0.008 -11.413 1.00 0.89 N ATOM 1649 CA PHE A 105 -3.402 1.281 -12.088 1.00 0.80 C ATOM 1650 C PHE A 105 -4.448 1.556 -13.172 1.00 0.78 C ATOM 1651 O PHE A 105 -4.535 0.851 -14.175 1.00 1.30 O ATOM 1652 CB PHE A 105 -2.027 1.225 -12.735 1.00 0.96 C ATOM 1653 CG PHE A 105 -0.840 1.038 -11.820 1.00 1.02 C ATOM 1654 CD1 PHE A 105 -0.359 -0.249 -11.519 1.00 1.52 C ATOM 1655 CD2 PHE A 105 -0.141 2.166 -11.367 1.00 2.26 C ATOM 1656 CE1 PHE A 105 0.818 -0.398 -10.767 1.00 1.51 C ATOM 1657 CE2 PHE A 105 1.054 2.020 -10.651 1.00 2.38 C ATOM 1658 CZ PHE A 105 1.534 0.736 -10.344 1.00 1.26 C ATOM 0 H PHE A 105 -3.816 -0.770 -12.054 1.00 0.89 H new ATOM 0 HA PHE A 105 -3.452 2.080 -11.349 1.00 0.80 H new ATOM 0 HB2 PHE A 105 -2.027 0.410 -13.459 1.00 0.96 H new ATOM 0 HB3 PHE A 105 -1.879 2.148 -13.295 1.00 0.96 H new ATOM 0 HD1 PHE A 105 -0.894 -1.121 -11.865 1.00 1.52 H new ATOM 0 HD2 PHE A 105 -0.527 3.154 -11.572 1.00 2.26 H new ATOM 0 HE1 PHE A 105 1.174 -1.386 -10.513 1.00 1.51 H new ATOM 0 HE2 PHE A 105 1.606 2.893 -10.335 1.00 2.38 H new ATOM 0 HZ PHE A 105 2.451 0.620 -9.785 1.00 1.26 H new ATOM 1668 N ALA A 106 -5.187 2.645 -12.973 1.00 0.55 N ATOM 1669 CA ALA A 106 -6.094 3.293 -13.931 1.00 0.61 C ATOM 1670 C ALA A 106 -7.057 2.363 -14.721 1.00 1.31 C ATOM 1671 O ALA A 106 -7.479 2.720 -15.817 1.00 1.97 O ATOM 1672 CB ALA A 106 -5.228 4.179 -14.845 1.00 1.39 C ATOM 0 H ALA A 106 -5.170 3.135 -12.079 1.00 0.55 H new ATOM 0 HA ALA A 106 -6.808 3.884 -13.357 1.00 0.61 H new ATOM 0 HB1 ALA A 106 -5.864 4.681 -15.574 1.00 1.39 H new ATOM 0 HB2 ALA A 106 -4.708 4.924 -14.243 1.00 1.39 H new ATOM 0 HB3 ALA A 106 -4.497 3.560 -15.366 1.00 1.39 H new ATOM 1678 N GLY A 107 -7.354 1.151 -14.232 1.00 2.11 N ATOM 1679 CA GLY A 107 -8.156 0.126 -14.927 1.00 2.96 C ATOM 1680 C GLY A 107 -7.409 -0.597 -16.058 1.00 2.27 C ATOM 1681 O GLY A 107 -7.493 -1.816 -16.170 1.00 3.24 O ATOM 0 H GLY A 107 -7.034 0.844 -13.313 1.00 2.11 H new ATOM 0 HA2 GLY A 107 -8.492 -0.612 -14.199 1.00 2.96 H new ATOM 0 HA3 GLY A 107 -9.049 0.597 -15.339 1.00 2.96 H new ATOM 1685 N GLY A 108 -6.639 0.140 -16.867 1.00 1.45 N ATOM 1686 CA GLY A 108 -5.863 -0.382 -18.001 1.00 1.93 C ATOM 1687 C GLY A 108 -4.571 -1.116 -17.616 1.00 1.81 C ATOM 1688 O GLY A 108 -3.855 -1.599 -18.503 1.00 2.40 O ATOM 0 H GLY A 108 -6.535 1.148 -16.748 1.00 1.45 H new ATOM 0 HA2 GLY A 108 -6.494 -1.063 -18.572 1.00 1.93 H new ATOM 0 HA3 GLY A 108 -5.610 0.447 -18.662 1.00 1.93 H new ATOM 1692 N LYS A 109 -4.228 -1.197 -16.325 1.00 1.23 N ATOM 1693 CA LYS A 109 -3.051 -1.872 -15.809 1.00 1.22 C ATOM 1694 C LYS A 109 -3.246 -2.478 -14.408 1.00 1.14 C ATOM 1695 O LYS A 109 -4.010 -1.995 -13.579 1.00 0.94 O ATOM 1696 CB LYS A 109 -1.923 -0.835 -15.731 1.00 1.25 C ATOM 1697 CG LYS A 109 -1.097 -0.610 -16.988 1.00 1.51 C ATOM 1698 CD LYS A 109 -0.305 -1.823 -17.495 1.00 2.72 C ATOM 1699 CE LYS A 109 -0.089 -1.679 -19.006 1.00 3.64 C ATOM 1700 NZ LYS A 109 -1.327 -2.009 -19.766 1.00 4.38 N ATOM 0 H LYS A 109 -4.792 -0.774 -15.588 1.00 1.23 H new ATOM 0 HA LYS A 109 -2.827 -2.701 -16.481 1.00 1.22 H new ATOM 0 HB2 LYS A 109 -2.361 0.119 -15.440 1.00 1.25 H new ATOM 0 HB3 LYS A 109 -1.246 -1.132 -14.930 1.00 1.25 H new ATOM 0 HG2 LYS A 109 -1.764 -0.278 -17.783 1.00 1.51 H new ATOM 0 HG3 LYS A 109 -0.397 0.204 -16.799 1.00 1.51 H new ATOM 0 HD2 LYS A 109 0.654 -1.888 -16.982 1.00 2.72 H new ATOM 0 HD3 LYS A 109 -0.846 -2.744 -17.278 1.00 2.72 H new ATOM 0 HE2 LYS A 109 0.220 -0.659 -19.235 1.00 3.64 H new ATOM 0 HE3 LYS A 109 0.721 -2.336 -19.324 1.00 3.64 H new ATOM 0 HZ1 LYS A 109 -1.402 -1.386 -20.595 1.00 4.38 H new ATOM 0 HZ2 LYS A 109 -1.288 -3.000 -20.080 1.00 4.38 H new ATOM 0 HZ3 LYS A 109 -2.157 -1.872 -19.154 1.00 4.38 H new ATOM 1714 N VAL A 110 -2.403 -3.466 -14.136 1.00 1.47 N ATOM 1715 CA VAL A 110 -2.164 -4.086 -12.843 1.00 1.48 C ATOM 1716 C VAL A 110 -0.764 -4.707 -12.861 1.00 1.68 C ATOM 1717 O VAL A 110 -0.360 -5.222 -13.906 1.00 1.87 O ATOM 1718 CB VAL A 110 -3.273 -5.107 -12.527 1.00 1.50 C ATOM 1719 CG1 VAL A 110 -3.444 -6.196 -13.599 1.00 1.78 C ATOM 1720 CG2 VAL A 110 -3.072 -5.750 -11.155 1.00 1.53 C ATOM 0 H VAL A 110 -1.828 -3.884 -14.868 1.00 1.47 H new ATOM 0 HA VAL A 110 -2.198 -3.347 -12.042 1.00 1.48 H new ATOM 0 HB VAL A 110 -4.195 -4.526 -12.521 1.00 1.50 H new ATOM 0 HG11 VAL A 110 -4.243 -6.875 -13.303 1.00 1.78 H new ATOM 0 HG12 VAL A 110 -3.697 -5.732 -14.552 1.00 1.78 H new ATOM 0 HG13 VAL A 110 -2.513 -6.754 -13.703 1.00 1.78 H new ATOM 0 HG21 VAL A 110 -3.873 -6.464 -10.967 1.00 1.53 H new ATOM 0 HG22 VAL A 110 -2.113 -6.267 -11.132 1.00 1.53 H new ATOM 0 HG23 VAL A 110 -3.086 -4.978 -10.386 1.00 1.53 H new ATOM 1730 N LEU A 111 -0.017 -4.612 -11.756 1.00 1.63 N ATOM 1731 CA LEU A 111 1.312 -5.212 -11.587 1.00 1.73 C ATOM 1732 C LEU A 111 1.316 -6.089 -10.327 1.00 1.58 C ATOM 1733 O LEU A 111 1.222 -5.571 -9.213 1.00 1.61 O ATOM 1734 CB LEU A 111 2.390 -4.109 -11.478 1.00 1.87 C ATOM 1735 CG LEU A 111 2.549 -3.158 -12.685 1.00 2.14 C ATOM 1736 CD1 LEU A 111 3.633 -2.112 -12.386 1.00 2.74 C ATOM 1737 CD2 LEU A 111 2.925 -3.899 -13.978 1.00 2.40 C ATOM 0 H LEU A 111 -0.329 -4.101 -10.930 1.00 1.63 H new ATOM 0 HA LEU A 111 1.542 -5.829 -12.456 1.00 1.73 H new ATOM 0 HB2 LEU A 111 2.168 -3.505 -10.598 1.00 1.87 H new ATOM 0 HB3 LEU A 111 3.351 -4.592 -11.299 1.00 1.87 H new ATOM 0 HG LEU A 111 1.581 -2.682 -12.839 1.00 2.14 H new ATOM 0 HD11 LEU A 111 3.740 -1.445 -13.241 1.00 2.74 H new ATOM 0 HD12 LEU A 111 3.348 -1.533 -11.507 1.00 2.74 H new ATOM 0 HD13 LEU A 111 4.581 -2.615 -12.197 1.00 2.74 H new ATOM 0 HD21 LEU A 111 3.024 -3.182 -14.793 1.00 2.40 H new ATOM 0 HD22 LEU A 111 3.872 -4.420 -13.837 1.00 2.40 H new ATOM 0 HD23 LEU A 111 2.146 -4.622 -14.223 1.00 2.40 H new ATOM 1749 N LYS A 112 1.428 -7.414 -10.481 1.00 1.49 N ATOM 1750 CA LYS A 112 1.439 -8.327 -9.332 1.00 1.37 C ATOM 1751 C LYS A 112 2.857 -8.555 -8.782 1.00 1.34 C ATOM 1752 O LYS A 112 3.742 -8.989 -9.520 1.00 1.50 O ATOM 1753 CB LYS A 112 0.737 -9.655 -9.675 1.00 1.40 C ATOM 1754 CG LYS A 112 0.201 -10.303 -8.384 1.00 1.97 C ATOM 1755 CD LYS A 112 -0.653 -11.553 -8.627 1.00 1.71 C ATOM 1756 CE LYS A 112 0.221 -12.758 -8.989 1.00 1.90 C ATOM 1757 NZ LYS A 112 -0.546 -14.023 -8.936 1.00 2.11 N ATOM 0 H LYS A 112 1.512 -7.876 -11.386 1.00 1.49 H new ATOM 0 HA LYS A 112 0.873 -7.848 -8.533 1.00 1.37 H new ATOM 0 HB2 LYS A 112 -0.082 -9.476 -10.372 1.00 1.40 H new ATOM 0 HB3 LYS A 112 1.435 -10.330 -10.170 1.00 1.40 H new ATOM 0 HG2 LYS A 112 1.043 -10.568 -7.745 1.00 1.97 H new ATOM 0 HG3 LYS A 112 -0.393 -9.569 -7.840 1.00 1.97 H new ATOM 0 HD2 LYS A 112 -1.236 -11.778 -7.734 1.00 1.71 H new ATOM 0 HD3 LYS A 112 -1.363 -11.361 -9.431 1.00 1.71 H new ATOM 0 HE2 LYS A 112 0.632 -12.623 -9.989 1.00 1.90 H new ATOM 0 HE3 LYS A 112 1.066 -12.815 -8.302 1.00 1.90 H new ATOM 0 HZ1 LYS A 112 0.045 -14.770 -8.518 1.00 2.11 H new ATOM 0 HZ2 LYS A 112 -1.397 -13.889 -8.354 1.00 2.11 H new ATOM 0 HZ3 LYS A 112 -0.825 -14.300 -9.899 1.00 2.11 H new ATOM 1771 N VAL A 113 3.050 -8.320 -7.484 1.00 1.24 N ATOM 1772 CA VAL A 113 4.272 -8.631 -6.722 1.00 1.24 C ATOM 1773 C VAL A 113 4.002 -9.696 -5.650 1.00 1.09 C ATOM 1774 O VAL A 113 2.852 -9.922 -5.270 1.00 1.05 O ATOM 1775 CB VAL A 113 4.882 -7.365 -6.072 1.00 1.43 C ATOM 1776 CG1 VAL A 113 5.373 -6.380 -7.146 1.00 1.63 C ATOM 1777 CG2 VAL A 113 3.926 -6.653 -5.098 1.00 1.60 C ATOM 0 H VAL A 113 2.330 -7.889 -6.904 1.00 1.24 H new ATOM 0 HA VAL A 113 4.996 -9.028 -7.434 1.00 1.24 H new ATOM 0 HB VAL A 113 5.729 -7.713 -5.481 1.00 1.43 H new ATOM 0 HG11 VAL A 113 5.797 -5.499 -6.665 1.00 1.63 H new ATOM 0 HG12 VAL A 113 6.135 -6.861 -7.759 1.00 1.63 H new ATOM 0 HG13 VAL A 113 4.535 -6.081 -7.776 1.00 1.63 H new ATOM 0 HG21 VAL A 113 4.419 -5.775 -4.680 1.00 1.60 H new ATOM 0 HG22 VAL A 113 3.027 -6.344 -5.631 1.00 1.60 H new ATOM 0 HG23 VAL A 113 3.654 -7.334 -4.292 1.00 1.60 H new ATOM 1787 N VAL A 114 5.066 -10.334 -5.156 1.00 1.13 N ATOM 1788 CA VAL A 114 5.085 -11.112 -3.922 1.00 1.08 C ATOM 1789 C VAL A 114 5.843 -10.332 -2.846 1.00 1.07 C ATOM 1790 O VAL A 114 6.819 -9.654 -3.164 1.00 1.22 O ATOM 1791 CB VAL A 114 5.670 -12.514 -4.107 1.00 1.29 C ATOM 1792 CG1 VAL A 114 4.715 -13.428 -4.888 1.00 2.08 C ATOM 1793 CG2 VAL A 114 7.035 -12.452 -4.773 1.00 2.38 C ATOM 0 H VAL A 114 5.971 -10.320 -5.626 1.00 1.13 H new ATOM 0 HA VAL A 114 4.052 -11.264 -3.607 1.00 1.08 H new ATOM 0 HB VAL A 114 5.798 -12.948 -3.115 1.00 1.29 H new ATOM 0 HG11 VAL A 114 5.165 -14.414 -4.999 1.00 2.08 H new ATOM 0 HG12 VAL A 114 3.773 -13.518 -4.347 1.00 2.08 H new ATOM 0 HG13 VAL A 114 4.528 -13.001 -5.873 1.00 2.08 H new ATOM 0 HG21 VAL A 114 7.428 -13.462 -4.892 1.00 2.38 H new ATOM 0 HG22 VAL A 114 6.941 -11.981 -5.752 1.00 2.38 H new ATOM 0 HG23 VAL A 114 7.716 -11.869 -4.153 1.00 2.38 H new ATOM 1803 N LEU A 115 5.395 -10.421 -1.590 1.00 0.99 N ATOM 1804 CA LEU A 115 6.003 -9.744 -0.438 1.00 1.04 C ATOM 1805 C LEU A 115 5.990 -10.637 0.817 1.00 1.03 C ATOM 1806 O LEU A 115 5.022 -11.376 1.017 1.00 1.11 O ATOM 1807 CB LEU A 115 5.236 -8.451 -0.109 1.00 1.11 C ATOM 1808 CG LEU A 115 5.295 -7.324 -1.155 1.00 1.35 C ATOM 1809 CD1 LEU A 115 4.442 -6.168 -0.622 1.00 1.78 C ATOM 1810 CD2 LEU A 115 6.721 -6.818 -1.421 1.00 1.92 C ATOM 0 H LEU A 115 4.579 -10.979 -1.339 1.00 0.99 H new ATOM 0 HA LEU A 115 7.034 -9.519 -0.711 1.00 1.04 H new ATOM 0 HB2 LEU A 115 4.190 -8.709 0.054 1.00 1.11 H new ATOM 0 HB3 LEU A 115 5.618 -8.060 0.834 1.00 1.11 H new ATOM 0 HG LEU A 115 4.925 -7.714 -2.103 1.00 1.35 H new ATOM 0 HD11 LEU A 115 4.457 -5.345 -1.337 1.00 1.78 H new ATOM 0 HD12 LEU A 115 3.416 -6.508 -0.481 1.00 1.78 H new ATOM 0 HD13 LEU A 115 4.845 -5.828 0.332 1.00 1.78 H new ATOM 0 HD21 LEU A 115 6.692 -6.025 -2.168 1.00 1.92 H new ATOM 0 HD22 LEU A 115 7.148 -6.430 -0.496 1.00 1.92 H new ATOM 0 HD23 LEU A 115 7.336 -7.640 -1.788 1.00 1.92 H new ATOM 1822 N PRO A 116 7.018 -10.545 1.684 1.00 1.01 N ATOM 1823 CA PRO A 116 7.064 -11.268 2.946 1.00 1.03 C ATOM 1824 C PRO A 116 6.099 -10.681 3.986 1.00 0.96 C ATOM 1825 O PRO A 116 5.936 -9.466 4.121 1.00 1.06 O ATOM 1826 CB PRO A 116 8.521 -11.176 3.417 1.00 1.12 C ATOM 1827 CG PRO A 116 9.001 -9.858 2.810 1.00 1.08 C ATOM 1828 CD PRO A 116 8.261 -9.818 1.474 1.00 1.02 C ATOM 0 HA PRO A 116 6.745 -12.302 2.817 1.00 1.03 H new ATOM 0 HB2 PRO A 116 8.593 -11.168 4.505 1.00 1.12 H new ATOM 0 HB3 PRO A 116 9.112 -12.021 3.064 1.00 1.12 H new ATOM 0 HG2 PRO A 116 8.747 -9.005 3.440 1.00 1.08 H new ATOM 0 HG3 PRO A 116 10.083 -9.844 2.675 1.00 1.08 H new ATOM 0 HD2 PRO A 116 8.065 -8.791 1.167 1.00 1.02 H new ATOM 0 HD3 PRO A 116 8.855 -10.279 0.685 1.00 1.02 H new ATOM 1836 N VAL A 117 5.494 -11.568 4.769 1.00 0.87 N ATOM 1837 CA VAL A 117 4.791 -11.254 6.006 1.00 0.88 C ATOM 1838 C VAL A 117 5.808 -11.077 7.142 1.00 0.96 C ATOM 1839 O VAL A 117 6.683 -11.920 7.348 1.00 1.09 O ATOM 1840 CB VAL A 117 3.775 -12.366 6.337 1.00 0.88 C ATOM 1841 CG1 VAL A 117 3.058 -12.073 7.657 1.00 0.97 C ATOM 1842 CG2 VAL A 117 2.700 -12.458 5.244 1.00 0.89 C ATOM 0 H VAL A 117 5.480 -12.564 4.550 1.00 0.87 H new ATOM 0 HA VAL A 117 4.239 -10.322 5.886 1.00 0.88 H new ATOM 0 HB VAL A 117 4.333 -13.300 6.407 1.00 0.88 H new ATOM 0 HG11 VAL A 117 2.346 -12.871 7.869 1.00 0.97 H new ATOM 0 HG12 VAL A 117 3.789 -12.015 8.463 1.00 0.97 H new ATOM 0 HG13 VAL A 117 2.527 -11.124 7.580 1.00 0.97 H new ATOM 0 HG21 VAL A 117 1.992 -13.248 5.495 1.00 0.89 H new ATOM 0 HG22 VAL A 117 2.172 -11.507 5.172 1.00 0.89 H new ATOM 0 HG23 VAL A 117 3.172 -12.684 4.288 1.00 0.89 H new ATOM 1852 N GLU A 118 5.641 -9.992 7.897 1.00 0.98 N ATOM 1853 CA GLU A 118 6.392 -9.608 9.093 1.00 1.15 C ATOM 1854 C GLU A 118 5.421 -8.869 10.023 1.00 1.24 C ATOM 1855 O GLU A 118 4.581 -8.093 9.571 1.00 1.26 O ATOM 1856 CB GLU A 118 7.619 -8.761 8.688 1.00 1.32 C ATOM 1857 CG GLU A 118 8.207 -7.809 9.744 1.00 2.50 C ATOM 1858 CD GLU A 118 8.793 -8.452 11.003 1.00 3.28 C ATOM 1859 OE1 GLU A 118 8.220 -9.436 11.514 1.00 4.25 O ATOM 1860 OE2 GLU A 118 9.740 -7.853 11.560 1.00 3.98 O ATOM 0 H GLU A 118 4.922 -9.305 7.671 1.00 0.98 H new ATOM 0 HA GLU A 118 6.788 -10.472 9.626 1.00 1.15 H new ATOM 0 HB2 GLU A 118 8.409 -9.443 8.373 1.00 1.32 H new ATOM 0 HB3 GLU A 118 7.344 -8.167 7.816 1.00 1.32 H new ATOM 0 HG2 GLU A 118 8.989 -7.217 9.269 1.00 2.50 H new ATOM 0 HG3 GLU A 118 7.424 -7.116 10.050 1.00 2.50 H new ATOM 1867 N ALA A 119 5.507 -9.133 11.324 1.00 1.73 N ATOM 1868 CA ALA A 119 4.557 -8.692 12.343 1.00 2.04 C ATOM 1869 C ALA A 119 4.834 -7.249 12.809 1.00 2.16 C ATOM 1870 O ALA A 119 5.059 -7.012 13.998 1.00 2.79 O ATOM 1871 CB ALA A 119 4.601 -9.732 13.478 1.00 2.51 C ATOM 0 H ALA A 119 6.272 -9.683 11.714 1.00 1.73 H new ATOM 0 HA ALA A 119 3.545 -8.644 11.940 1.00 2.04 H new ATOM 0 HB1 ALA A 119 3.904 -9.442 14.264 1.00 2.51 H new ATOM 0 HB2 ALA A 119 4.320 -10.710 13.087 1.00 2.51 H new ATOM 0 HB3 ALA A 119 5.610 -9.781 13.887 1.00 2.51 H new ATOM 1877 N ARG A 120 4.924 -6.309 11.855 1.00 1.82 N ATOM 1878 CA ARG A 120 5.702 -5.073 12.048 1.00 1.77 C ATOM 1879 C ARG A 120 5.102 -3.998 12.954 1.00 2.18 C ATOM 1880 O ARG A 120 3.953 -3.583 12.701 1.00 2.42 O ATOM 1881 CB ARG A 120 6.267 -4.503 10.734 1.00 1.97 C ATOM 1882 CG ARG A 120 7.785 -4.171 10.715 1.00 2.15 C ATOM 1883 CD ARG A 120 8.574 -4.052 12.040 1.00 3.00 C ATOM 1884 NE ARG A 120 8.937 -5.366 12.621 1.00 3.96 N ATOM 1885 CZ ARG A 120 8.565 -5.886 13.776 1.00 5.41 C ATOM 1886 NH1 ARG A 120 7.856 -5.252 14.668 1.00 6.40 N ATOM 1887 NH2 ARG A 120 8.847 -7.130 14.013 1.00 6.57 N ATOM 1888 OXT ARG A 120 5.842 -3.593 13.877 1.00 3.50 O ATOM 0 H ARG A 120 4.470 -6.380 10.945 1.00 1.82 H new ATOM 0 HA ARG A 120 6.543 -5.429 12.643 1.00 1.77 H new ATOM 0 HB2 ARG A 120 6.065 -5.219 9.937 1.00 1.97 H new ATOM 0 HB3 ARG A 120 5.716 -3.594 10.493 1.00 1.97 H new ATOM 0 HG2 ARG A 120 8.276 -4.937 10.115 1.00 2.15 H new ATOM 0 HG3 ARG A 120 7.902 -3.227 10.184 1.00 2.15 H new ATOM 0 HD2 ARG A 120 9.482 -3.476 11.864 1.00 3.00 H new ATOM 0 HD3 ARG A 120 7.978 -3.495 12.762 1.00 3.00 H new ATOM 0 HE ARG A 120 9.556 -5.945 12.054 1.00 3.96 H new ATOM 0 HH11 ARG A 120 7.554 -4.294 14.493 1.00 6.40 H new ATOM 0 HH12 ARG A 120 7.603 -5.715 15.541 1.00 6.40 H new ATOM 0 HH21 ARG A 120 9.345 -7.682 13.315 1.00 6.57 H new ATOM 0 HH22 ARG A 120 8.571 -7.556 14.898 1.00 6.57 H new