USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=16 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 Set 1.1: A 46 HIS : no HD1:sc= -0.953 K(o=-1.2,f=-2.7!) USER MOD Set 1.2: A 48 THR OG1 : rot 124:sc= 0.168 USER MOD Set 1.3: A 83 HIS : no HD1:sc= -0.403 K(o=-1.2,f=-2.1) USER MOD Single : A 11 SER OG : rot 15:sc= 1.34 USER MOD Single : A 15 ASN : amide:sc= 0.0596 K(o=0.06,f=-2.1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 120:sc= 1.24 USER MOD Single : A 24 ASN : amide:sc= 0.62 K(o=0.62,f=-1.8) USER MOD Single : A 37 THR OG1 : rot 88:sc= 0.361 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= -0.368! (180deg=-1.67!) USER MOD Single : A 57 LYS NZ :NH3+ -118:sc= 1.31 (180deg=-0.862!) USER MOD Single : A 59 MET CE :methyl 165:sc=-0.00986 (180deg=-0.204) USER MOD Single : A 61 MET CE :methyl -171:sc= 0 (180deg=-0.175) USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= 1.07 (180deg=0.0428) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= -0.187 (180deg=-0.409) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -159:sc= 0 (180deg=-0.0548) USER MOD Single : A 90 LYS NZ :NH3+ 133:sc= 0.128 (180deg=-0.316!) USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 0.492 (180deg=0.399) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -110:sc= 0.292 (180deg=-1.16!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 3.649 -1.992 12.085 1.00 1.83 N ATOM 56 CA GLU A 5 2.667 -2.803 11.375 1.00 1.50 C ATOM 57 C GLU A 5 2.022 -1.974 10.254 1.00 1.08 C ATOM 58 O GLU A 5 2.235 -0.763 10.133 1.00 1.32 O ATOM 59 CB GLU A 5 1.606 -3.321 12.364 1.00 2.89 C ATOM 60 CG GLU A 5 2.192 -4.328 13.363 1.00 3.77 C ATOM 61 CD GLU A 5 1.146 -4.753 14.394 1.00 5.26 C ATOM 62 OE1 GLU A 5 0.212 -5.483 13.985 1.00 6.40 O ATOM 63 OE2 GLU A 5 1.294 -4.313 15.558 1.00 5.86 O ATOM 0 HA GLU A 5 3.160 -3.663 10.923 1.00 1.50 H new ATOM 0 HB2 GLU A 5 1.176 -2.480 12.908 1.00 2.89 H new ATOM 0 HB3 GLU A 5 0.793 -3.791 11.810 1.00 2.89 H new ATOM 0 HG2 GLU A 5 2.557 -5.205 12.828 1.00 3.77 H new ATOM 0 HG3 GLU A 5 3.049 -3.885 13.871 1.00 3.77 H new ATOM 70 N GLY A 6 1.232 -2.637 9.416 1.00 0.98 N ATOM 71 CA GLY A 6 0.377 -2.000 8.422 1.00 0.79 C ATOM 72 C GLY A 6 -1.028 -2.578 8.477 1.00 0.74 C ATOM 73 O GLY A 6 -1.277 -3.531 9.210 1.00 0.91 O ATOM 0 H GLY A 6 1.167 -3.655 9.409 1.00 0.98 H new ATOM 0 HA2 GLY A 6 0.341 -0.925 8.600 1.00 0.79 H new ATOM 0 HA3 GLY A 6 0.797 -2.144 7.427 1.00 0.79 H new ATOM 77 N TRP A 7 -1.940 -2.031 7.673 1.00 0.68 N ATOM 78 CA TRP A 7 -3.351 -2.438 7.672 1.00 0.68 C ATOM 79 C TRP A 7 -4.052 -2.141 6.330 1.00 0.63 C ATOM 80 O TRP A 7 -3.431 -1.681 5.369 1.00 0.71 O ATOM 81 CB TRP A 7 -4.079 -1.820 8.882 1.00 0.75 C ATOM 82 CG TRP A 7 -4.238 -0.331 8.879 1.00 0.62 C ATOM 83 CD1 TRP A 7 -5.382 0.334 8.598 1.00 0.71 C ATOM 84 CD2 TRP A 7 -3.259 0.696 9.239 1.00 0.86 C ATOM 85 NE1 TRP A 7 -5.173 1.691 8.729 1.00 1.01 N ATOM 86 CE2 TRP A 7 -3.879 1.975 9.111 1.00 1.15 C ATOM 87 CE3 TRP A 7 -1.924 0.678 9.703 1.00 1.08 C ATOM 88 CZ2 TRP A 7 -3.203 3.170 9.392 1.00 1.60 C ATOM 89 CZ3 TRP A 7 -1.229 1.871 9.970 1.00 1.49 C ATOM 90 CH2 TRP A 7 -1.864 3.119 9.815 1.00 1.74 C ATOM 0 H TRP A 7 -1.724 -1.293 7.003 1.00 0.68 H new ATOM 0 HA TRP A 7 -3.394 -3.522 7.777 1.00 0.68 H new ATOM 0 HB2 TRP A 7 -5.070 -2.268 8.949 1.00 0.75 H new ATOM 0 HB3 TRP A 7 -3.539 -2.103 9.786 1.00 0.75 H new ATOM 0 HD1 TRP A 7 -6.316 -0.127 8.314 1.00 0.71 H new ATOM 0 HE1 TRP A 7 -5.889 2.399 8.563 1.00 1.01 H new ATOM 0 HE3 TRP A 7 -1.429 -0.269 9.855 1.00 1.08 H new ATOM 0 HZ2 TRP A 7 -3.706 4.120 9.285 1.00 1.60 H new ATOM 0 HZ3 TRP A 7 -0.200 1.830 10.296 1.00 1.49 H new ATOM 0 HH2 TRP A 7 -1.324 4.032 10.020 1.00 1.74 H new ATOM 101 N VAL A 8 -5.348 -2.456 6.255 1.00 0.92 N ATOM 102 CA VAL A 8 -6.231 -2.238 5.091 1.00 1.00 C ATOM 103 C VAL A 8 -7.284 -1.181 5.448 1.00 1.14 C ATOM 104 O VAL A 8 -7.898 -1.270 6.506 1.00 1.27 O ATOM 105 CB VAL A 8 -6.923 -3.558 4.669 1.00 1.24 C ATOM 106 CG1 VAL A 8 -7.885 -3.355 3.481 1.00 1.42 C ATOM 107 CG2 VAL A 8 -5.881 -4.617 4.266 1.00 1.27 C ATOM 0 H VAL A 8 -5.839 -2.890 7.037 1.00 0.92 H new ATOM 0 HA VAL A 8 -5.630 -1.889 4.251 1.00 1.00 H new ATOM 0 HB VAL A 8 -7.493 -3.895 5.535 1.00 1.24 H new ATOM 0 HG11 VAL A 8 -8.347 -4.307 3.220 1.00 1.42 H new ATOM 0 HG12 VAL A 8 -8.659 -2.640 3.758 1.00 1.42 H new ATOM 0 HG13 VAL A 8 -7.329 -2.974 2.624 1.00 1.42 H new ATOM 0 HG21 VAL A 8 -6.390 -5.535 3.974 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -5.291 -4.246 3.428 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -5.223 -4.820 5.111 1.00 1.27 H new ATOM 117 N ARG A 9 -7.536 -0.204 4.557 1.00 1.18 N ATOM 118 CA ARG A 9 -8.402 0.967 4.831 1.00 1.44 C ATOM 119 C ARG A 9 -9.844 0.628 5.255 1.00 1.72 C ATOM 120 O ARG A 9 -10.523 1.479 5.829 1.00 3.27 O ATOM 121 CB ARG A 9 -8.399 1.932 3.624 1.00 1.46 C ATOM 122 CG ARG A 9 -9.276 1.505 2.424 1.00 2.46 C ATOM 123 CD ARG A 9 -10.715 2.059 2.426 1.00 2.53 C ATOM 124 NE ARG A 9 -10.869 3.231 1.535 1.00 3.32 N ATOM 125 CZ ARG A 9 -11.682 3.357 0.484 1.00 4.56 C ATOM 126 NH1 ARG A 9 -12.521 2.410 0.114 1.00 5.27 N ATOM 127 NH2 ARG A 9 -11.649 4.476 -0.215 1.00 5.57 N ATOM 0 H ARG A 9 -7.142 -0.202 3.616 1.00 1.18 H new ATOM 0 HA ARG A 9 -7.961 1.453 5.701 1.00 1.44 H new ATOM 0 HB2 ARG A 9 -8.733 2.912 3.965 1.00 1.46 H new ATOM 0 HB3 ARG A 9 -7.372 2.048 3.277 1.00 1.46 H new ATOM 0 HG2 ARG A 9 -8.784 1.823 1.505 1.00 2.46 H new ATOM 0 HG3 ARG A 9 -9.324 0.416 2.400 1.00 2.46 H new ATOM 0 HD2 ARG A 9 -11.404 1.275 2.113 1.00 2.53 H new ATOM 0 HD3 ARG A 9 -10.992 2.339 3.442 1.00 2.53 H new ATOM 0 HE ARG A 9 -10.284 4.039 1.750 1.00 3.32 H new ATOM 0 HH11 ARG A 9 -12.567 1.536 0.638 1.00 5.27 H new ATOM 0 HH12 ARG A 9 -13.124 2.551 -0.697 1.00 5.27 H new ATOM 0 HH21 ARG A 9 -11.010 5.225 0.051 1.00 5.57 H new ATOM 0 HH22 ARG A 9 -12.262 4.592 -1.022 1.00 5.57 H new ATOM 141 N PHE A 10 -10.304 -0.585 4.910 1.00 1.24 N ATOM 142 CA PHE A 10 -11.605 -1.195 5.206 1.00 1.00 C ATOM 143 C PHE A 10 -12.784 -0.548 4.446 1.00 0.97 C ATOM 144 O PHE A 10 -12.806 0.654 4.183 1.00 1.24 O ATOM 145 CB PHE A 10 -11.821 -1.236 6.728 1.00 1.12 C ATOM 146 CG PHE A 10 -13.169 -1.795 7.105 1.00 1.20 C ATOM 147 CD1 PHE A 10 -13.349 -3.184 7.210 1.00 2.10 C ATOM 148 CD2 PHE A 10 -14.268 -0.925 7.180 1.00 1.64 C ATOM 149 CE1 PHE A 10 -14.649 -3.706 7.330 1.00 2.51 C ATOM 150 CE2 PHE A 10 -15.567 -1.445 7.264 1.00 1.83 C ATOM 151 CZ PHE A 10 -15.758 -2.840 7.345 1.00 2.00 C ATOM 0 H PHE A 10 -9.719 -1.220 4.367 1.00 1.24 H new ATOM 0 HA PHE A 10 -11.584 -2.218 4.831 1.00 1.00 H new ATOM 0 HB2 PHE A 10 -11.039 -1.841 7.186 1.00 1.12 H new ATOM 0 HB3 PHE A 10 -11.723 -0.229 7.133 1.00 1.12 H new ATOM 0 HD1 PHE A 10 -12.496 -3.846 7.199 1.00 2.10 H new ATOM 0 HD2 PHE A 10 -14.113 0.144 7.173 1.00 1.64 H new ATOM 0 HE1 PHE A 10 -14.797 -4.773 7.411 1.00 2.51 H new ATOM 0 HE2 PHE A 10 -16.418 -0.780 7.267 1.00 1.83 H new ATOM 0 HZ PHE A 10 -16.757 -3.244 7.419 1.00 2.00 H new ATOM 161 N SER A 11 -13.804 -1.336 4.087 1.00 0.97 N ATOM 162 CA SER A 11 -15.064 -0.914 3.479 1.00 1.22 C ATOM 163 C SER A 11 -16.087 -2.071 3.411 1.00 1.35 C ATOM 164 O SER A 11 -15.671 -3.228 3.360 1.00 1.48 O ATOM 165 CB SER A 11 -14.784 -0.439 2.049 1.00 1.55 C ATOM 166 OG SER A 11 -14.226 0.868 2.024 1.00 2.28 O ATOM 0 H SER A 11 -13.766 -2.346 4.223 1.00 0.97 H new ATOM 0 HA SER A 11 -15.484 -0.117 4.093 1.00 1.22 H new ATOM 0 HB2 SER A 11 -14.100 -1.135 1.563 1.00 1.55 H new ATOM 0 HB3 SER A 11 -15.711 -0.449 1.475 1.00 1.55 H new ATOM 0 HG SER A 11 -13.921 1.111 2.923 1.00 2.28 H new ATOM 172 N PRO A 12 -17.405 -1.777 3.375 1.00 1.50 N ATOM 173 CA PRO A 12 -18.450 -2.761 3.090 1.00 1.71 C ATOM 174 C PRO A 12 -18.649 -3.002 1.585 1.00 1.67 C ATOM 175 O PRO A 12 -19.099 -4.074 1.186 1.00 2.17 O ATOM 176 CB PRO A 12 -19.712 -2.181 3.733 1.00 1.95 C ATOM 177 CG PRO A 12 -19.523 -0.673 3.562 1.00 1.91 C ATOM 178 CD PRO A 12 -18.009 -0.488 3.702 1.00 1.64 C ATOM 0 HA PRO A 12 -18.187 -3.741 3.489 1.00 1.71 H new ATOM 0 HB2 PRO A 12 -20.616 -2.533 3.237 1.00 1.95 H new ATOM 0 HB3 PRO A 12 -19.795 -2.461 4.783 1.00 1.95 H new ATOM 0 HG2 PRO A 12 -19.882 -0.330 2.591 1.00 1.91 H new ATOM 0 HG3 PRO A 12 -20.068 -0.111 4.320 1.00 1.91 H new ATOM 0 HD2 PRO A 12 -17.649 0.291 3.030 1.00 1.64 H new ATOM 0 HD3 PRO A 12 -17.747 -0.182 4.715 1.00 1.64 H new ATOM 186 N GLY A 13 -18.289 -2.023 0.747 1.00 1.72 N ATOM 187 CA GLY A 13 -18.151 -2.193 -0.703 1.00 1.53 C ATOM 188 C GLY A 13 -16.760 -2.756 -1.032 1.00 1.65 C ATOM 189 O GLY A 13 -15.813 -2.441 -0.313 1.00 2.31 O ATOM 0 H GLY A 13 -18.082 -1.075 1.063 1.00 1.72 H new ATOM 0 HA2 GLY A 13 -18.923 -2.867 -1.074 1.00 1.53 H new ATOM 0 HA3 GLY A 13 -18.294 -1.236 -1.206 1.00 1.53 H new ATOM 193 N PRO A 14 -16.609 -3.560 -2.104 1.00 1.64 N ATOM 194 CA PRO A 14 -15.440 -4.419 -2.297 1.00 2.21 C ATOM 195 C PRO A 14 -14.137 -3.665 -2.584 1.00 1.93 C ATOM 196 O PRO A 14 -13.091 -4.076 -2.092 1.00 2.83 O ATOM 197 CB PRO A 14 -15.809 -5.356 -3.455 1.00 2.73 C ATOM 198 CG PRO A 14 -16.873 -4.581 -4.230 1.00 2.46 C ATOM 199 CD PRO A 14 -17.614 -3.843 -3.117 1.00 1.89 C ATOM 0 HA PRO A 14 -15.224 -4.954 -1.372 1.00 2.21 H new ATOM 0 HB2 PRO A 14 -14.944 -5.580 -4.079 1.00 2.73 H new ATOM 0 HB3 PRO A 14 -16.194 -6.308 -3.091 1.00 2.73 H new ATOM 0 HG2 PRO A 14 -16.431 -3.892 -4.950 1.00 2.46 H new ATOM 0 HG3 PRO A 14 -17.534 -5.245 -4.788 1.00 2.46 H new ATOM 0 HD2 PRO A 14 -18.066 -2.924 -3.489 1.00 1.89 H new ATOM 0 HD3 PRO A 14 -18.420 -4.453 -2.710 1.00 1.89 H new ATOM 207 N ASN A 15 -14.161 -2.582 -3.371 1.00 0.96 N ATOM 208 CA ASN A 15 -12.930 -1.905 -3.751 1.00 0.73 C ATOM 209 C ASN A 15 -12.398 -0.974 -2.649 1.00 0.89 C ATOM 210 O ASN A 15 -13.122 -0.224 -1.985 1.00 1.32 O ATOM 211 CB ASN A 15 -13.128 -1.162 -5.067 1.00 1.04 C ATOM 212 CG ASN A 15 -13.512 -2.073 -6.232 1.00 2.65 C ATOM 213 OD1 ASN A 15 -13.216 -3.259 -6.270 1.00 4.33 O ATOM 214 ND2 ASN A 15 -14.171 -1.535 -7.239 1.00 3.03 N ATOM 0 H ASN A 15 -15.012 -2.165 -3.749 1.00 0.96 H new ATOM 0 HA ASN A 15 -12.164 -2.668 -3.890 1.00 0.73 H new ATOM 0 HB2 ASN A 15 -13.904 -0.408 -4.936 1.00 1.04 H new ATOM 0 HB3 ASN A 15 -12.208 -0.633 -5.318 1.00 1.04 H new ATOM 0 HD21 ASN A 15 -14.430 -2.107 -8.043 1.00 3.03 H new ATOM 0 HD22 ASN A 15 -14.421 -0.547 -7.215 1.00 3.03 H new ATOM 221 N ALA A 16 -11.079 -1.004 -2.493 1.00 0.79 N ATOM 222 CA ALA A 16 -10.363 -0.632 -1.274 1.00 0.81 C ATOM 223 C ALA A 16 -8.925 -0.154 -1.557 1.00 0.67 C ATOM 224 O ALA A 16 -8.509 -0.014 -2.704 1.00 0.60 O ATOM 225 CB ALA A 16 -10.406 -1.840 -0.323 1.00 0.88 C ATOM 0 H ALA A 16 -10.452 -1.300 -3.242 1.00 0.79 H new ATOM 0 HA ALA A 16 -10.850 0.224 -0.806 1.00 0.81 H new ATOM 0 HB1 ALA A 16 -9.879 -1.596 0.599 1.00 0.88 H new ATOM 0 HB2 ALA A 16 -11.443 -2.086 -0.094 1.00 0.88 H new ATOM 0 HB3 ALA A 16 -9.926 -2.695 -0.799 1.00 0.88 H new ATOM 231 N ALA A 17 -8.166 0.114 -0.494 1.00 0.67 N ATOM 232 CA ALA A 17 -6.756 0.497 -0.520 1.00 0.59 C ATOM 233 C ALA A 17 -6.031 -0.080 0.715 1.00 0.58 C ATOM 234 O ALA A 17 -6.685 -0.335 1.731 1.00 0.72 O ATOM 235 CB ALA A 17 -6.637 2.027 -0.562 1.00 0.79 C ATOM 0 H ALA A 17 -8.537 0.067 0.455 1.00 0.67 H new ATOM 0 HA ALA A 17 -6.284 0.089 -1.414 1.00 0.59 H new ATOM 0 HB1 ALA A 17 -5.584 2.310 -0.581 1.00 0.79 H new ATOM 0 HB2 ALA A 17 -7.131 2.406 -1.457 1.00 0.79 H new ATOM 0 HB3 ALA A 17 -7.111 2.453 0.322 1.00 0.79 H new ATOM 241 N ALA A 18 -4.707 -0.257 0.660 1.00 0.52 N ATOM 242 CA ALA A 18 -3.932 -0.891 1.737 1.00 0.53 C ATOM 243 C ALA A 18 -2.597 -0.181 2.021 1.00 0.47 C ATOM 244 O ALA A 18 -1.924 0.305 1.108 1.00 0.50 O ATOM 245 CB ALA A 18 -3.711 -2.367 1.384 1.00 0.63 C ATOM 0 H ALA A 18 -4.139 0.036 -0.135 1.00 0.52 H new ATOM 0 HA ALA A 18 -4.507 -0.808 2.659 1.00 0.53 H new ATOM 0 HB1 ALA A 18 -3.137 -2.848 2.176 1.00 0.63 H new ATOM 0 HB2 ALA A 18 -4.675 -2.865 1.281 1.00 0.63 H new ATOM 0 HB3 ALA A 18 -3.164 -2.438 0.444 1.00 0.63 H new ATOM 251 N TYR A 19 -2.222 -0.148 3.300 1.00 0.52 N ATOM 252 CA TYR A 19 -1.137 0.655 3.867 1.00 0.54 C ATOM 253 C TYR A 19 -0.139 -0.235 4.643 1.00 0.60 C ATOM 254 O TYR A 19 -0.179 -0.300 5.871 1.00 1.08 O ATOM 255 CB TYR A 19 -1.769 1.702 4.807 1.00 0.63 C ATOM 256 CG TYR A 19 -2.908 2.542 4.256 1.00 0.81 C ATOM 257 CD1 TYR A 19 -2.713 3.355 3.124 1.00 2.15 C ATOM 258 CD2 TYR A 19 -4.134 2.596 4.952 1.00 1.76 C ATOM 259 CE1 TYR A 19 -3.710 4.276 2.739 1.00 2.38 C ATOM 260 CE2 TYR A 19 -5.139 3.496 4.556 1.00 1.94 C ATOM 261 CZ TYR A 19 -4.919 4.360 3.463 1.00 1.53 C ATOM 262 OH TYR A 19 -5.846 5.299 3.121 1.00 1.95 O ATOM 0 H TYR A 19 -2.693 -0.712 4.008 1.00 0.52 H new ATOM 0 HA TYR A 19 -0.580 1.146 3.069 1.00 0.54 H new ATOM 0 HB2 TYR A 19 -2.133 1.182 5.693 1.00 0.63 H new ATOM 0 HB3 TYR A 19 -0.980 2.379 5.135 1.00 0.63 H new ATOM 0 HD1 TYR A 19 -1.801 3.274 2.551 1.00 2.15 H new ATOM 0 HD2 TYR A 19 -4.302 1.942 5.795 1.00 1.76 H new ATOM 0 HE1 TYR A 19 -3.548 4.919 1.887 1.00 2.38 H new ATOM 0 HE2 TYR A 19 -6.078 3.526 5.088 1.00 1.94 H new ATOM 0 HH TYR A 19 -6.622 5.225 3.715 1.00 1.95 H new ATOM 272 N LEU A 20 0.718 -0.989 3.944 1.00 1.11 N ATOM 273 CA LEU A 20 1.620 -1.943 4.609 1.00 1.15 C ATOM 274 C LEU A 20 2.795 -1.280 5.350 1.00 1.11 C ATOM 275 O LEU A 20 3.158 -0.144 5.048 1.00 1.07 O ATOM 276 CB LEU A 20 2.039 -3.070 3.641 1.00 1.17 C ATOM 277 CG LEU A 20 2.965 -2.701 2.463 1.00 1.06 C ATOM 278 CD1 LEU A 20 4.426 -2.452 2.867 1.00 1.86 C ATOM 279 CD2 LEU A 20 2.932 -3.862 1.464 1.00 1.70 C ATOM 0 H LEU A 20 0.807 -0.960 2.928 1.00 1.11 H new ATOM 0 HA LEU A 20 1.053 -2.412 5.413 1.00 1.15 H new ATOM 0 HB2 LEU A 20 2.534 -3.846 4.225 1.00 1.17 H new ATOM 0 HB3 LEU A 20 1.132 -3.511 3.228 1.00 1.17 H new ATOM 0 HG LEU A 20 2.596 -1.765 2.043 1.00 1.06 H new ATOM 0 HD11 LEU A 20 5.010 -2.198 1.982 1.00 1.86 H new ATOM 0 HD12 LEU A 20 4.471 -1.629 3.580 1.00 1.86 H new ATOM 0 HD13 LEU A 20 4.835 -3.352 3.326 1.00 1.86 H new ATOM 0 HD21 LEU A 20 3.578 -3.632 0.617 1.00 1.70 H new ATOM 0 HD22 LEU A 20 3.283 -4.772 1.951 1.00 1.70 H new ATOM 0 HD23 LEU A 20 1.911 -4.010 1.112 1.00 1.70 H new ATOM 291 N THR A 21 3.433 -2.040 6.251 1.00 1.35 N ATOM 292 CA THR A 21 4.807 -1.802 6.713 1.00 1.47 C ATOM 293 C THR A 21 5.656 -3.026 6.410 1.00 1.95 C ATOM 294 O THR A 21 5.177 -4.149 6.536 1.00 2.27 O ATOM 295 CB THR A 21 4.874 -1.416 8.198 1.00 1.53 C ATOM 296 OG1 THR A 21 4.196 -0.195 8.356 1.00 1.89 O ATOM 297 CG2 THR A 21 6.311 -1.185 8.677 1.00 1.73 C ATOM 0 H THR A 21 2.999 -2.854 6.688 1.00 1.35 H new ATOM 0 HA THR A 21 5.206 -0.945 6.171 1.00 1.47 H new ATOM 0 HB THR A 21 4.437 -2.232 8.774 1.00 1.53 H new ATOM 0 HG1 THR A 21 3.448 -0.314 8.978 1.00 1.89 H new ATOM 0 HG21 THR A 21 6.304 -0.915 9.733 1.00 1.73 H new ATOM 0 HG22 THR A 21 6.891 -2.098 8.540 1.00 1.73 H new ATOM 0 HG23 THR A 21 6.762 -0.378 8.099 1.00 1.73 H new ATOM 305 N LEU A 22 6.900 -2.774 6.009 1.00 2.21 N ATOM 306 CA LEU A 22 7.982 -3.728 5.733 1.00 2.72 C ATOM 307 C LEU A 22 9.322 -3.005 5.981 1.00 2.09 C ATOM 308 O LEU A 22 9.327 -1.810 6.290 1.00 2.10 O ATOM 309 CB LEU A 22 7.880 -4.243 4.270 1.00 3.57 C ATOM 310 CG LEU A 22 7.678 -5.757 4.064 1.00 4.78 C ATOM 311 CD1 LEU A 22 8.758 -6.592 4.767 1.00 5.06 C ATOM 312 CD2 LEU A 22 6.270 -6.225 4.445 1.00 5.44 C ATOM 0 H LEU A 22 7.208 -1.814 5.854 1.00 2.21 H new ATOM 0 HA LEU A 22 7.909 -4.597 6.387 1.00 2.72 H new ATOM 0 HB2 LEU A 22 7.052 -3.724 3.787 1.00 3.57 H new ATOM 0 HB3 LEU A 22 8.789 -3.950 3.745 1.00 3.57 H new ATOM 0 HG LEU A 22 7.786 -5.927 2.993 1.00 4.78 H new ATOM 0 HD11 LEU A 22 8.571 -7.651 4.591 1.00 5.06 H new ATOM 0 HD12 LEU A 22 9.738 -6.326 4.371 1.00 5.06 H new ATOM 0 HD13 LEU A 22 8.733 -6.392 5.838 1.00 5.06 H new ATOM 0 HD21 LEU A 22 6.186 -7.299 4.279 1.00 5.44 H new ATOM 0 HD22 LEU A 22 6.085 -6.005 5.496 1.00 5.44 H new ATOM 0 HD23 LEU A 22 5.535 -5.705 3.831 1.00 5.44 H new ATOM 324 N GLU A 23 10.462 -3.672 5.781 1.00 1.66 N ATOM 325 CA GLU A 23 11.797 -3.058 5.836 1.00 1.15 C ATOM 326 C GLU A 23 12.710 -3.579 4.723 1.00 1.07 C ATOM 327 O GLU A 23 12.511 -4.679 4.204 1.00 1.33 O ATOM 328 CB GLU A 23 12.474 -3.280 7.200 1.00 1.30 C ATOM 329 CG GLU A 23 11.649 -2.695 8.349 1.00 2.17 C ATOM 330 CD GLU A 23 12.487 -2.410 9.587 1.00 2.88 C ATOM 331 OE1 GLU A 23 13.352 -3.233 9.956 1.00 3.35 O ATOM 332 OE2 GLU A 23 12.229 -1.338 10.175 1.00 3.87 O ATOM 0 H GLU A 23 10.487 -4.670 5.573 1.00 1.66 H new ATOM 0 HA GLU A 23 11.645 -1.988 5.691 1.00 1.15 H new ATOM 0 HB2 GLU A 23 12.619 -4.348 7.364 1.00 1.30 H new ATOM 0 HB3 GLU A 23 13.463 -2.822 7.193 1.00 1.30 H new ATOM 0 HG2 GLU A 23 11.174 -1.772 8.017 1.00 2.17 H new ATOM 0 HG3 GLU A 23 10.850 -3.390 8.608 1.00 2.17 H new ATOM 339 N ASN A 24 13.730 -2.784 4.393 1.00 0.87 N ATOM 340 CA ASN A 24 14.887 -3.161 3.593 1.00 0.78 C ATOM 341 C ASN A 24 16.105 -3.367 4.516 1.00 0.74 C ATOM 342 O ASN A 24 16.787 -2.395 4.842 1.00 0.87 O ATOM 343 CB ASN A 24 15.195 -2.051 2.568 1.00 0.87 C ATOM 344 CG ASN A 24 16.314 -2.480 1.623 1.00 0.82 C ATOM 345 OD1 ASN A 24 16.711 -3.640 1.570 1.00 1.37 O ATOM 346 ND2 ASN A 24 16.852 -1.560 0.855 1.00 0.80 N ATOM 0 H ASN A 24 13.769 -1.810 4.694 1.00 0.87 H new ATOM 0 HA ASN A 24 14.673 -4.089 3.063 1.00 0.78 H new ATOM 0 HB2 ASN A 24 14.297 -1.820 1.994 1.00 0.87 H new ATOM 0 HB3 ASN A 24 15.483 -1.138 3.089 1.00 0.87 H new ATOM 0 HD21 ASN A 24 17.603 -1.809 0.211 1.00 0.80 H new ATOM 0 HD22 ASN A 24 16.519 -0.597 0.903 1.00 0.80 H new ATOM 353 N PRO A 25 16.403 -4.603 4.950 1.00 0.81 N ATOM 354 CA PRO A 25 17.553 -4.891 5.807 1.00 0.97 C ATOM 355 C PRO A 25 18.891 -5.008 5.055 1.00 0.99 C ATOM 356 O PRO A 25 19.922 -5.188 5.703 1.00 1.12 O ATOM 357 CB PRO A 25 17.189 -6.215 6.490 1.00 1.17 C ATOM 358 CG PRO A 25 16.349 -6.920 5.424 1.00 1.16 C ATOM 359 CD PRO A 25 15.549 -5.774 4.825 1.00 0.95 C ATOM 0 HA PRO A 25 17.724 -4.070 6.503 1.00 0.97 H new ATOM 0 HB2 PRO A 25 18.075 -6.792 6.755 1.00 1.17 H new ATOM 0 HB3 PRO A 25 16.626 -6.055 7.410 1.00 1.17 H new ATOM 0 HG2 PRO A 25 16.971 -7.414 4.678 1.00 1.16 H new ATOM 0 HG3 PRO A 25 15.703 -7.684 5.856 1.00 1.16 H new ATOM 0 HD2 PRO A 25 15.301 -5.970 3.782 1.00 0.95 H new ATOM 0 HD3 PRO A 25 14.607 -5.632 5.355 1.00 0.95 H new ATOM 367 N GLY A 26 18.904 -4.925 3.717 1.00 0.92 N ATOM 368 CA GLY A 26 20.105 -5.050 2.910 1.00 1.00 C ATOM 369 C GLY A 26 20.813 -3.713 2.741 1.00 1.03 C ATOM 370 O GLY A 26 20.229 -2.640 2.853 1.00 1.41 O ATOM 0 H GLY A 26 18.061 -4.766 3.165 1.00 0.92 H new ATOM 0 HA2 GLY A 26 20.784 -5.764 3.376 1.00 1.00 H new ATOM 0 HA3 GLY A 26 19.845 -5.450 1.930 1.00 1.00 H new ATOM 374 N ASP A 27 22.082 -3.817 2.385 1.00 1.17 N ATOM 375 CA ASP A 27 23.012 -2.737 2.052 1.00 1.48 C ATOM 376 C ASP A 27 22.941 -2.346 0.560 1.00 1.26 C ATOM 377 O ASP A 27 23.729 -1.564 0.034 1.00 1.40 O ATOM 378 CB ASP A 27 24.391 -3.240 2.463 1.00 2.05 C ATOM 379 CG ASP A 27 24.539 -3.181 3.984 1.00 2.70 C ATOM 380 OD1 ASP A 27 24.733 -2.076 4.539 1.00 3.90 O ATOM 381 OD2 ASP A 27 24.335 -4.225 4.648 1.00 2.77 O ATOM 0 H ASP A 27 22.530 -4.730 2.314 1.00 1.17 H new ATOM 0 HA ASP A 27 22.760 -1.818 2.581 1.00 1.48 H new ATOM 0 HB2 ASP A 27 24.532 -4.263 2.115 1.00 2.05 H new ATOM 0 HB3 ASP A 27 25.164 -2.634 1.991 1.00 2.05 H new ATOM 386 N LEU A 28 21.927 -2.892 -0.101 1.00 1.00 N ATOM 387 CA LEU A 28 21.462 -2.612 -1.451 1.00 0.86 C ATOM 388 C LEU A 28 20.038 -2.027 -1.400 1.00 0.76 C ATOM 389 O LEU A 28 19.298 -2.321 -0.458 1.00 0.78 O ATOM 390 CB LEU A 28 21.590 -3.912 -2.264 1.00 1.03 C ATOM 391 CG LEU A 28 20.731 -5.114 -1.798 1.00 1.70 C ATOM 392 CD1 LEU A 28 19.313 -5.121 -2.395 1.00 2.17 C ATOM 393 CD2 LEU A 28 21.414 -6.426 -2.213 1.00 2.17 C ATOM 0 H LEU A 28 21.355 -3.612 0.340 1.00 1.00 H new ATOM 0 HA LEU A 28 22.064 -1.853 -1.950 1.00 0.86 H new ATOM 0 HB2 LEU A 28 21.333 -3.692 -3.300 1.00 1.03 H new ATOM 0 HB3 LEU A 28 22.636 -4.218 -2.254 1.00 1.03 H new ATOM 0 HG LEU A 28 20.644 -5.021 -0.716 1.00 1.70 H new ATOM 0 HD11 LEU A 28 18.767 -5.990 -2.026 1.00 2.17 H new ATOM 0 HD12 LEU A 28 18.790 -4.212 -2.100 1.00 2.17 H new ATOM 0 HD13 LEU A 28 19.376 -5.167 -3.482 1.00 2.17 H new ATOM 0 HD21 LEU A 28 20.809 -7.271 -1.885 1.00 2.17 H new ATOM 0 HD22 LEU A 28 21.519 -6.454 -3.298 1.00 2.17 H new ATOM 0 HD23 LEU A 28 22.400 -6.485 -1.752 1.00 2.17 H new ATOM 405 N PRO A 29 19.623 -1.212 -2.387 1.00 0.74 N ATOM 406 CA PRO A 29 18.332 -0.535 -2.374 1.00 0.70 C ATOM 407 C PRO A 29 17.199 -1.478 -2.796 1.00 0.69 C ATOM 408 O PRO A 29 17.412 -2.415 -3.570 1.00 0.82 O ATOM 409 CB PRO A 29 18.490 0.639 -3.344 1.00 0.75 C ATOM 410 CG PRO A 29 19.501 0.117 -4.367 1.00 0.83 C ATOM 411 CD PRO A 29 20.382 -0.854 -3.575 1.00 0.82 C ATOM 0 HA PRO A 29 18.060 -0.195 -1.375 1.00 0.70 H new ATOM 0 HB2 PRO A 29 17.542 0.903 -3.814 1.00 0.75 H new ATOM 0 HB3 PRO A 29 18.855 1.533 -2.838 1.00 0.75 H new ATOM 0 HG2 PRO A 29 19.003 -0.385 -5.196 1.00 0.83 H new ATOM 0 HG3 PRO A 29 20.090 0.929 -4.793 1.00 0.83 H new ATOM 0 HD2 PRO A 29 20.618 -1.738 -4.168 1.00 0.82 H new ATOM 0 HD3 PRO A 29 21.330 -0.389 -3.306 1.00 0.82 H new ATOM 419 N LEU A 30 15.978 -1.192 -2.324 1.00 0.64 N ATOM 420 CA LEU A 30 14.747 -1.804 -2.822 1.00 0.61 C ATOM 421 C LEU A 30 13.876 -0.800 -3.557 1.00 0.59 C ATOM 422 O LEU A 30 13.744 0.368 -3.199 1.00 0.63 O ATOM 423 CB LEU A 30 13.921 -2.456 -1.700 1.00 0.62 C ATOM 424 CG LEU A 30 14.504 -3.791 -1.226 1.00 0.63 C ATOM 425 CD1 LEU A 30 13.743 -4.298 0.011 1.00 1.71 C ATOM 426 CD2 LEU A 30 14.455 -4.900 -2.283 1.00 1.45 C ATOM 0 H LEU A 30 15.820 -0.519 -1.574 1.00 0.64 H new ATOM 0 HA LEU A 30 15.065 -2.581 -3.517 1.00 0.61 H new ATOM 0 HB2 LEU A 30 13.862 -1.771 -0.854 1.00 0.62 H new ATOM 0 HB3 LEU A 30 12.902 -2.615 -2.052 1.00 0.62 H new ATOM 0 HG LEU A 30 15.550 -3.582 -1.001 1.00 0.63 H new ATOM 0 HD11 LEU A 30 14.169 -5.247 0.336 1.00 1.71 H new ATOM 0 HD12 LEU A 30 13.828 -3.567 0.815 1.00 1.71 H new ATOM 0 HD13 LEU A 30 12.692 -4.439 -0.241 1.00 1.71 H new ATOM 0 HD21 LEU A 30 14.886 -5.813 -1.872 1.00 1.45 H new ATOM 0 HD22 LEU A 30 13.420 -5.084 -2.570 1.00 1.45 H new ATOM 0 HD23 LEU A 30 15.025 -4.592 -3.160 1.00 1.45 H new ATOM 438 N ARG A 31 13.201 -1.355 -4.552 1.00 0.56 N ATOM 439 CA ARG A 31 12.292 -0.631 -5.448 1.00 0.53 C ATOM 440 C ARG A 31 10.996 -1.407 -5.613 1.00 0.53 C ATOM 441 O ARG A 31 10.977 -2.430 -6.293 1.00 0.57 O ATOM 442 CB ARG A 31 12.975 -0.387 -6.800 1.00 0.53 C ATOM 443 CG ARG A 31 12.132 0.549 -7.688 1.00 0.57 C ATOM 444 CD ARG A 31 12.925 1.108 -8.877 1.00 0.57 C ATOM 445 NE ARG A 31 14.035 1.935 -8.383 1.00 1.19 N ATOM 446 CZ ARG A 31 15.194 2.226 -8.943 1.00 1.14 C ATOM 447 NH1 ARG A 31 15.457 1.958 -10.206 1.00 1.72 N ATOM 448 NH2 ARG A 31 16.123 2.790 -8.206 1.00 2.06 N ATOM 0 H ARG A 31 13.268 -2.349 -4.770 1.00 0.56 H new ATOM 0 HA ARG A 31 12.049 0.338 -5.013 1.00 0.53 H new ATOM 0 HB2 ARG A 31 13.961 0.050 -6.639 1.00 0.53 H new ATOM 0 HB3 ARG A 31 13.127 -1.338 -7.311 1.00 0.53 H new ATOM 0 HG2 ARG A 31 11.263 0.006 -8.059 1.00 0.57 H new ATOM 0 HG3 ARG A 31 11.758 1.376 -7.085 1.00 0.57 H new ATOM 0 HD2 ARG A 31 13.310 0.291 -9.487 1.00 0.57 H new ATOM 0 HD3 ARG A 31 12.272 1.702 -9.516 1.00 0.57 H new ATOM 0 HE ARG A 31 13.886 2.349 -7.463 1.00 1.19 H new ATOM 0 HH11 ARG A 31 14.751 1.509 -10.790 1.00 1.72 H new ATOM 0 HH12 ARG A 31 16.366 2.200 -10.600 1.00 1.72 H new ATOM 0 HH21 ARG A 31 15.941 2.994 -7.223 1.00 2.06 H new ATOM 0 HH22 ARG A 31 17.027 3.024 -8.616 1.00 2.06 H new ATOM 462 N LEU A 32 9.933 -0.971 -4.952 1.00 0.50 N ATOM 463 CA LEU A 32 8.639 -1.647 -4.899 1.00 0.47 C ATOM 464 C LEU A 32 7.853 -1.277 -6.155 1.00 0.44 C ATOM 465 O LEU A 32 7.431 -0.139 -6.291 1.00 0.47 O ATOM 466 CB LEU A 32 7.982 -1.213 -3.579 1.00 0.51 C ATOM 467 CG LEU A 32 6.563 -1.713 -3.247 1.00 0.61 C ATOM 468 CD1 LEU A 32 5.481 -1.047 -4.109 1.00 2.59 C ATOM 469 CD2 LEU A 32 6.484 -3.244 -3.296 1.00 2.22 C ATOM 0 H LEU A 32 9.946 -0.103 -4.416 1.00 0.50 H new ATOM 0 HA LEU A 32 8.701 -2.735 -4.899 1.00 0.47 H new ATOM 0 HB2 LEU A 32 8.639 -1.526 -2.767 1.00 0.51 H new ATOM 0 HB3 LEU A 32 7.957 -0.123 -3.567 1.00 0.51 H new ATOM 0 HG LEU A 32 6.354 -1.409 -2.221 1.00 0.61 H new ATOM 0 HD11 LEU A 32 4.502 -1.438 -3.831 1.00 2.59 H new ATOM 0 HD12 LEU A 32 5.500 0.031 -3.948 1.00 2.59 H new ATOM 0 HD13 LEU A 32 5.671 -1.260 -5.161 1.00 2.59 H new ATOM 0 HD21 LEU A 32 5.470 -3.564 -3.057 1.00 2.22 H new ATOM 0 HD22 LEU A 32 6.748 -3.590 -4.295 1.00 2.22 H new ATOM 0 HD23 LEU A 32 7.178 -3.668 -2.570 1.00 2.22 H new ATOM 481 N VAL A 33 7.666 -2.225 -7.068 1.00 0.41 N ATOM 482 CA VAL A 33 7.067 -1.993 -8.399 1.00 0.41 C ATOM 483 C VAL A 33 5.624 -2.530 -8.482 1.00 0.42 C ATOM 484 O VAL A 33 4.855 -2.125 -9.351 1.00 0.45 O ATOM 485 CB VAL A 33 7.917 -2.636 -9.529 1.00 0.44 C ATOM 486 CG1 VAL A 33 9.334 -2.031 -9.609 1.00 0.43 C ATOM 487 CG2 VAL A 33 8.083 -4.164 -9.406 1.00 0.50 C ATOM 0 H VAL A 33 7.928 -3.198 -6.911 1.00 0.41 H new ATOM 0 HA VAL A 33 7.047 -0.912 -8.539 1.00 0.41 H new ATOM 0 HB VAL A 33 7.345 -2.415 -10.431 1.00 0.44 H new ATOM 0 HG11 VAL A 33 9.890 -2.512 -10.413 1.00 0.43 H new ATOM 0 HG12 VAL A 33 9.262 -0.961 -9.807 1.00 0.43 H new ATOM 0 HG13 VAL A 33 9.852 -2.191 -8.663 1.00 0.43 H new ATOM 0 HG21 VAL A 33 8.689 -4.532 -10.234 1.00 0.50 H new ATOM 0 HG22 VAL A 33 8.575 -4.402 -8.463 1.00 0.50 H new ATOM 0 HG23 VAL A 33 7.103 -4.640 -9.434 1.00 0.50 H new ATOM 497 N GLY A 34 5.277 -3.482 -7.602 1.00 0.41 N ATOM 498 CA GLY A 34 4.013 -4.216 -7.607 1.00 0.48 C ATOM 499 C GLY A 34 3.665 -4.849 -6.263 1.00 0.48 C ATOM 500 O GLY A 34 4.423 -4.769 -5.296 1.00 0.45 O ATOM 0 H GLY A 34 5.895 -3.768 -6.842 1.00 0.41 H new ATOM 0 HA2 GLY A 34 3.211 -3.538 -7.898 1.00 0.48 H new ATOM 0 HA3 GLY A 34 4.060 -4.998 -8.365 1.00 0.48 H new ATOM 504 N ALA A 35 2.553 -5.583 -6.250 1.00 0.55 N ATOM 505 CA ALA A 35 2.143 -6.474 -5.167 1.00 0.58 C ATOM 506 C ALA A 35 1.228 -7.603 -5.675 1.00 0.57 C ATOM 507 O ALA A 35 0.884 -7.637 -6.857 1.00 0.56 O ATOM 508 CB ALA A 35 1.473 -5.643 -4.060 1.00 0.57 C ATOM 0 H ALA A 35 1.888 -5.572 -7.023 1.00 0.55 H new ATOM 0 HA ALA A 35 3.024 -6.964 -4.754 1.00 0.58 H new ATOM 0 HB1 ALA A 35 1.164 -6.301 -3.248 1.00 0.57 H new ATOM 0 HB2 ALA A 35 2.180 -4.905 -3.680 1.00 0.57 H new ATOM 0 HB3 ALA A 35 0.599 -5.133 -4.466 1.00 0.57 H new ATOM 514 N ARG A 36 0.808 -8.487 -4.767 1.00 0.61 N ATOM 515 CA ARG A 36 -0.290 -9.451 -4.920 1.00 0.58 C ATOM 516 C ARG A 36 -0.984 -9.639 -3.561 1.00 0.58 C ATOM 517 O ARG A 36 -0.503 -9.155 -2.536 1.00 0.65 O ATOM 518 CB ARG A 36 0.195 -10.814 -5.465 1.00 0.71 C ATOM 519 CG ARG A 36 1.189 -10.738 -6.637 1.00 1.55 C ATOM 520 CD ARG A 36 1.454 -12.096 -7.288 1.00 2.06 C ATOM 521 NE ARG A 36 2.068 -13.066 -6.365 1.00 3.13 N ATOM 522 CZ ARG A 36 2.148 -14.376 -6.550 1.00 3.79 C ATOM 523 NH1 ARG A 36 1.620 -14.976 -7.602 1.00 3.72 N ATOM 524 NH2 ARG A 36 2.784 -15.100 -5.662 1.00 5.47 N ATOM 0 H ARG A 36 1.250 -8.555 -3.850 1.00 0.61 H new ATOM 0 HA ARG A 36 -0.992 -9.051 -5.652 1.00 0.58 H new ATOM 0 HB2 ARG A 36 0.662 -11.367 -4.650 1.00 0.71 H new ATOM 0 HB3 ARG A 36 -0.674 -11.389 -5.784 1.00 0.71 H new ATOM 0 HG2 ARG A 36 0.803 -10.050 -7.389 1.00 1.55 H new ATOM 0 HG3 ARG A 36 2.131 -10.323 -6.280 1.00 1.55 H new ATOM 0 HD2 ARG A 36 0.515 -12.503 -7.662 1.00 2.06 H new ATOM 0 HD3 ARG A 36 2.107 -11.959 -8.150 1.00 2.06 H new ATOM 0 HE ARG A 36 2.469 -12.695 -5.504 1.00 3.13 H new ATOM 0 HH11 ARG A 36 1.129 -14.428 -8.309 1.00 3.72 H new ATOM 0 HH12 ARG A 36 1.703 -15.987 -7.708 1.00 3.72 H new ATOM 0 HH21 ARG A 36 3.206 -14.654 -4.848 1.00 5.47 H new ATOM 0 HH22 ARG A 36 2.857 -16.110 -5.785 1.00 5.47 H new ATOM 538 N THR A 37 -2.083 -10.398 -3.547 1.00 0.60 N ATOM 539 CA THR A 37 -2.880 -10.811 -2.376 1.00 0.65 C ATOM 540 C THR A 37 -3.901 -11.855 -2.838 1.00 0.71 C ATOM 541 O THR A 37 -4.327 -11.769 -3.993 1.00 0.71 O ATOM 542 CB THR A 37 -3.535 -9.606 -1.678 1.00 0.64 C ATOM 543 OG1 THR A 37 -4.445 -10.047 -0.707 1.00 0.74 O ATOM 544 CG2 THR A 37 -4.307 -8.661 -2.603 1.00 0.62 C ATOM 0 H THR A 37 -2.472 -10.770 -4.414 1.00 0.60 H new ATOM 0 HA THR A 37 -2.232 -11.259 -1.623 1.00 0.65 H new ATOM 0 HB THR A 37 -2.696 -9.052 -1.257 1.00 0.64 H new ATOM 0 HG1 THR A 37 -3.976 -10.184 0.143 1.00 0.74 H new ATOM 0 HG21 THR A 37 -4.731 -7.845 -2.018 1.00 0.62 H new ATOM 0 HG22 THR A 37 -3.631 -8.255 -3.355 1.00 0.62 H new ATOM 0 HG23 THR A 37 -5.110 -9.209 -3.096 1.00 0.62 H new ATOM 552 N PRO A 38 -4.319 -12.821 -1.996 1.00 0.82 N ATOM 553 CA PRO A 38 -5.347 -13.797 -2.359 1.00 0.91 C ATOM 554 C PRO A 38 -6.765 -13.216 -2.387 1.00 0.89 C ATOM 555 O PRO A 38 -7.703 -13.922 -2.743 1.00 0.94 O ATOM 556 CB PRO A 38 -5.206 -14.904 -1.323 1.00 1.05 C ATOM 557 CG PRO A 38 -4.670 -14.207 -0.080 1.00 1.04 C ATOM 558 CD PRO A 38 -3.801 -13.096 -0.661 1.00 0.91 C ATOM 0 HA PRO A 38 -5.201 -14.154 -3.378 1.00 0.91 H new ATOM 0 HB2 PRO A 38 -6.164 -15.385 -1.125 1.00 1.05 H new ATOM 0 HB3 PRO A 38 -4.524 -15.682 -1.666 1.00 1.05 H new ATOM 0 HG2 PRO A 38 -5.474 -13.809 0.539 1.00 1.04 H new ATOM 0 HG3 PRO A 38 -4.092 -14.886 0.547 1.00 1.04 H new ATOM 0 HD2 PRO A 38 -3.844 -12.203 -0.037 1.00 0.91 H new ATOM 0 HD3 PRO A 38 -2.756 -13.404 -0.706 1.00 0.91 H new ATOM 566 N VAL A 39 -6.919 -11.943 -2.015 1.00 0.87 N ATOM 567 CA VAL A 39 -8.194 -11.204 -2.049 1.00 0.91 C ATOM 568 C VAL A 39 -8.116 -9.946 -2.925 1.00 0.82 C ATOM 569 O VAL A 39 -8.442 -8.842 -2.496 1.00 0.81 O ATOM 570 CB VAL A 39 -8.740 -10.925 -0.626 1.00 1.01 C ATOM 571 CG1 VAL A 39 -9.168 -12.238 0.052 1.00 1.22 C ATOM 572 CG2 VAL A 39 -7.750 -10.189 0.289 1.00 0.98 C ATOM 0 H VAL A 39 -6.142 -11.378 -1.672 1.00 0.87 H new ATOM 0 HA VAL A 39 -8.926 -11.852 -2.531 1.00 0.91 H new ATOM 0 HB VAL A 39 -9.596 -10.265 -0.767 1.00 1.01 H new ATOM 0 HG11 VAL A 39 -9.549 -12.024 1.051 1.00 1.22 H new ATOM 0 HG12 VAL A 39 -9.949 -12.715 -0.540 1.00 1.22 H new ATOM 0 HG13 VAL A 39 -8.310 -12.906 0.126 1.00 1.22 H new ATOM 0 HG21 VAL A 39 -8.206 -10.031 1.266 1.00 0.98 H new ATOM 0 HG22 VAL A 39 -6.846 -10.787 0.403 1.00 0.98 H new ATOM 0 HG23 VAL A 39 -7.494 -9.226 -0.152 1.00 0.98 H new ATOM 582 N ALA A 40 -7.765 -10.131 -4.202 1.00 0.87 N ATOM 583 CA ALA A 40 -7.973 -9.148 -5.274 1.00 0.81 C ATOM 584 C ALA A 40 -7.982 -9.809 -6.673 1.00 1.03 C ATOM 585 O ALA A 40 -7.705 -11.004 -6.819 1.00 1.57 O ATOM 586 CB ALA A 40 -6.888 -8.062 -5.174 1.00 0.93 C ATOM 0 H ALA A 40 -7.318 -10.988 -4.528 1.00 0.87 H new ATOM 0 HA ALA A 40 -8.955 -8.692 -5.146 1.00 0.81 H new ATOM 0 HB1 ALA A 40 -7.034 -7.328 -5.966 1.00 0.93 H new ATOM 0 HB2 ALA A 40 -6.955 -7.568 -4.204 1.00 0.93 H new ATOM 0 HB3 ALA A 40 -5.904 -8.519 -5.281 1.00 0.93 H new ATOM 592 N GLU A 41 -8.294 -8.998 -7.688 1.00 0.86 N ATOM 593 CA GLU A 41 -8.088 -9.274 -9.116 1.00 1.05 C ATOM 594 C GLU A 41 -7.056 -8.279 -9.688 1.00 0.95 C ATOM 595 O GLU A 41 -6.027 -8.666 -10.238 1.00 1.01 O ATOM 596 CB GLU A 41 -9.435 -9.155 -9.860 1.00 1.20 C ATOM 597 CG GLU A 41 -9.462 -9.936 -11.181 1.00 1.46 C ATOM 598 CD GLU A 41 -9.623 -11.428 -10.901 1.00 1.74 C ATOM 599 OE1 GLU A 41 -8.603 -12.109 -10.675 1.00 2.56 O ATOM 600 OE2 GLU A 41 -10.771 -11.876 -10.701 1.00 2.72 O ATOM 0 H GLU A 41 -8.719 -8.084 -7.530 1.00 0.86 H new ATOM 0 HA GLU A 41 -7.705 -10.286 -9.249 1.00 1.05 H new ATOM 0 HB2 GLU A 41 -10.234 -9.518 -9.213 1.00 1.20 H new ATOM 0 HB3 GLU A 41 -9.641 -8.104 -10.062 1.00 1.20 H new ATOM 0 HG2 GLU A 41 -10.284 -9.584 -11.805 1.00 1.46 H new ATOM 0 HG3 GLU A 41 -8.541 -9.759 -11.737 1.00 1.46 H new ATOM 607 N ARG A 42 -7.280 -6.975 -9.466 1.00 0.94 N ATOM 608 CA ARG A 42 -6.251 -5.943 -9.585 1.00 0.75 C ATOM 609 C ARG A 42 -5.757 -5.556 -8.198 1.00 0.55 C ATOM 610 O ARG A 42 -6.542 -5.201 -7.321 1.00 0.73 O ATOM 611 CB ARG A 42 -6.776 -4.671 -10.272 1.00 1.05 C ATOM 612 CG ARG A 42 -6.685 -4.714 -11.800 1.00 1.62 C ATOM 613 CD ARG A 42 -6.878 -3.291 -12.338 1.00 2.42 C ATOM 614 NE ARG A 42 -6.765 -3.240 -13.805 1.00 3.21 N ATOM 615 CZ ARG A 42 -6.695 -2.119 -14.517 1.00 4.25 C ATOM 616 NH1 ARG A 42 -6.742 -0.927 -13.966 1.00 4.76 N ATOM 617 NH2 ARG A 42 -6.571 -2.179 -15.824 1.00 5.25 N ATOM 0 H ARG A 42 -8.193 -6.608 -9.196 1.00 0.94 H new ATOM 0 HA ARG A 42 -5.449 -6.361 -10.193 1.00 0.75 H new ATOM 0 HB2 ARG A 42 -7.815 -4.515 -9.983 1.00 1.05 H new ATOM 0 HB3 ARG A 42 -6.212 -3.813 -9.907 1.00 1.05 H new ATOM 0 HG2 ARG A 42 -5.718 -5.109 -12.111 1.00 1.62 H new ATOM 0 HG3 ARG A 42 -7.447 -5.379 -12.206 1.00 1.62 H new ATOM 0 HD2 ARG A 42 -7.857 -2.918 -12.036 1.00 2.42 H new ATOM 0 HD3 ARG A 42 -6.134 -2.630 -11.893 1.00 2.42 H new ATOM 0 HE ARG A 42 -6.739 -4.126 -14.310 1.00 3.21 H new ATOM 0 HH11 ARG A 42 -6.836 -0.836 -12.954 1.00 4.76 H new ATOM 0 HH12 ARG A 42 -6.685 -0.093 -14.550 1.00 4.76 H new ATOM 0 HH21 ARG A 42 -6.529 -3.085 -16.291 1.00 5.25 H new ATOM 0 HH22 ARG A 42 -6.517 -1.320 -16.371 1.00 5.25 H new ATOM 631 N VAL A 43 -4.439 -5.513 -8.062 1.00 0.61 N ATOM 632 CA VAL A 43 -3.779 -4.470 -7.269 1.00 0.54 C ATOM 633 C VAL A 43 -3.306 -3.360 -8.222 1.00 0.81 C ATOM 634 O VAL A 43 -2.990 -3.642 -9.380 1.00 1.30 O ATOM 635 CB VAL A 43 -2.623 -5.037 -6.413 1.00 0.59 C ATOM 636 CG1 VAL A 43 -1.307 -5.237 -7.180 1.00 0.90 C ATOM 637 CG2 VAL A 43 -2.373 -4.155 -5.183 1.00 0.64 C ATOM 0 H VAL A 43 -3.801 -6.185 -8.488 1.00 0.61 H new ATOM 0 HA VAL A 43 -4.490 -4.052 -6.556 1.00 0.54 H new ATOM 0 HB VAL A 43 -2.955 -6.029 -6.106 1.00 0.59 H new ATOM 0 HG11 VAL A 43 -0.550 -5.637 -6.506 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -1.467 -5.935 -8.001 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -0.969 -4.280 -7.578 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -1.556 -4.573 -4.596 1.00 0.64 H new ATOM 0 HG22 VAL A 43 -2.110 -3.147 -5.505 1.00 0.64 H new ATOM 0 HG23 VAL A 43 -3.276 -4.117 -4.573 1.00 0.64 H new ATOM 647 N GLU A 44 -3.241 -2.121 -7.740 1.00 0.57 N ATOM 648 CA GLU A 44 -2.626 -0.965 -8.405 1.00 0.58 C ATOM 649 C GLU A 44 -1.797 -0.185 -7.383 1.00 0.54 C ATOM 650 O GLU A 44 -2.102 -0.224 -6.191 1.00 0.67 O ATOM 651 CB GLU A 44 -3.685 -0.015 -8.979 1.00 0.66 C ATOM 652 CG GLU A 44 -4.448 -0.613 -10.165 1.00 1.23 C ATOM 653 CD GLU A 44 -5.574 0.290 -10.672 1.00 2.00 C ATOM 654 OE1 GLU A 44 -5.528 1.514 -10.409 1.00 2.85 O ATOM 655 OE2 GLU A 44 -6.466 -0.263 -11.360 1.00 3.00 O ATOM 0 H GLU A 44 -3.634 -1.880 -6.830 1.00 0.57 H new ATOM 0 HA GLU A 44 -2.007 -1.338 -9.220 1.00 0.58 H new ATOM 0 HB2 GLU A 44 -4.394 0.247 -8.193 1.00 0.66 H new ATOM 0 HB3 GLU A 44 -3.202 0.910 -9.294 1.00 0.66 H new ATOM 0 HG2 GLU A 44 -3.749 -0.804 -10.979 1.00 1.23 H new ATOM 0 HG3 GLU A 44 -4.867 -1.576 -9.872 1.00 1.23 H new ATOM 662 N LEU A 45 -0.775 0.542 -7.831 1.00 0.66 N ATOM 663 CA LEU A 45 0.131 1.289 -6.951 1.00 0.71 C ATOM 664 C LEU A 45 -0.066 2.801 -7.106 1.00 0.60 C ATOM 665 O LEU A 45 0.155 3.355 -8.187 1.00 0.60 O ATOM 666 CB LEU A 45 1.564 0.831 -7.262 1.00 1.09 C ATOM 667 CG LEU A 45 2.654 1.502 -6.408 1.00 0.62 C ATOM 668 CD1 LEU A 45 2.475 1.272 -4.901 1.00 0.90 C ATOM 669 CD2 LEU A 45 4.008 0.940 -6.856 1.00 1.08 C ATOM 0 H LEU A 45 -0.548 0.632 -8.821 1.00 0.66 H new ATOM 0 HA LEU A 45 -0.086 1.081 -5.903 1.00 0.71 H new ATOM 0 HB2 LEU A 45 1.624 -0.248 -7.121 1.00 1.09 H new ATOM 0 HB3 LEU A 45 1.773 1.027 -8.314 1.00 1.09 H new ATOM 0 HG LEU A 45 2.588 2.579 -6.560 1.00 0.62 H new ATOM 0 HD11 LEU A 45 3.277 1.772 -4.359 1.00 0.90 H new ATOM 0 HD12 LEU A 45 1.514 1.677 -4.583 1.00 0.90 H new ATOM 0 HD13 LEU A 45 2.506 0.203 -4.690 1.00 0.90 H new ATOM 0 HD21 LEU A 45 4.804 1.397 -6.268 1.00 1.08 H new ATOM 0 HD22 LEU A 45 4.021 -0.140 -6.707 1.00 1.08 H new ATOM 0 HD23 LEU A 45 4.163 1.163 -7.912 1.00 1.08 H new ATOM 681 N HIS A 46 -0.484 3.471 -6.031 1.00 0.59 N ATOM 682 CA HIS A 46 -0.875 4.882 -6.026 1.00 0.56 C ATOM 683 C HIS A 46 -0.117 5.746 -4.990 1.00 0.53 C ATOM 684 O HIS A 46 0.216 5.317 -3.883 1.00 0.52 O ATOM 685 CB HIS A 46 -2.387 4.982 -5.743 1.00 0.63 C ATOM 686 CG HIS A 46 -3.383 4.409 -6.729 1.00 0.66 C ATOM 687 ND1 HIS A 46 -4.748 4.361 -6.492 1.00 0.69 N ATOM 688 CD2 HIS A 46 -3.165 3.832 -7.946 1.00 0.68 C ATOM 689 CE1 HIS A 46 -5.322 3.765 -7.537 1.00 0.73 C ATOM 690 NE2 HIS A 46 -4.395 3.421 -8.444 1.00 0.73 N ATOM 0 H HIS A 46 -0.562 3.034 -5.113 1.00 0.59 H new ATOM 0 HA HIS A 46 -0.616 5.276 -7.009 1.00 0.56 H new ATOM 0 HB2 HIS A 46 -2.569 4.501 -4.782 1.00 0.63 H new ATOM 0 HB3 HIS A 46 -2.624 6.039 -5.620 1.00 0.63 H new ATOM 0 HD2 HIS A 46 -2.209 3.716 -8.434 1.00 0.68 H new ATOM 0 HE1 HIS A 46 -6.382 3.585 -7.639 1.00 0.73 H new ATOM 0 HE2 HIS A 46 -4.562 2.947 -9.332 1.00 0.73 H new ATOM 698 N GLU A 47 0.052 7.014 -5.355 1.00 0.59 N ATOM 699 CA GLU A 47 0.410 8.137 -4.476 1.00 0.63 C ATOM 700 C GLU A 47 -0.825 8.793 -3.843 1.00 0.60 C ATOM 701 O GLU A 47 -1.966 8.529 -4.237 1.00 0.67 O ATOM 702 CB GLU A 47 1.258 9.176 -5.242 1.00 0.72 C ATOM 703 CG GLU A 47 0.464 10.006 -6.267 1.00 0.81 C ATOM 704 CD GLU A 47 1.277 11.048 -7.043 1.00 1.36 C ATOM 705 OE1 GLU A 47 2.464 10.815 -7.332 1.00 2.57 O ATOM 706 OE2 GLU A 47 0.678 12.039 -7.528 1.00 2.09 O ATOM 0 H GLU A 47 -0.062 7.308 -6.325 1.00 0.59 H new ATOM 0 HA GLU A 47 1.008 7.734 -3.659 1.00 0.63 H new ATOM 0 HB2 GLU A 47 1.720 9.853 -4.523 1.00 0.72 H new ATOM 0 HB3 GLU A 47 2.067 8.659 -5.758 1.00 0.72 H new ATOM 0 HG2 GLU A 47 0.003 9.324 -6.982 1.00 0.81 H new ATOM 0 HG3 GLU A 47 -0.346 10.517 -5.746 1.00 0.81 H new ATOM 713 N THR A 48 -0.619 9.685 -2.871 1.00 0.67 N ATOM 714 CA THR A 48 -1.657 10.507 -2.235 1.00 0.62 C ATOM 715 C THR A 48 -0.997 11.821 -1.846 1.00 0.59 C ATOM 716 O THR A 48 0.188 11.832 -1.529 1.00 0.68 O ATOM 717 CB THR A 48 -2.198 9.762 -1.016 1.00 0.85 C ATOM 718 OG1 THR A 48 -2.809 8.615 -1.534 1.00 1.01 O ATOM 719 CG2 THR A 48 -3.244 10.525 -0.205 1.00 0.98 C ATOM 0 H THR A 48 0.310 9.863 -2.489 1.00 0.67 H new ATOM 0 HA THR A 48 -2.499 10.703 -2.899 1.00 0.62 H new ATOM 0 HB THR A 48 -1.371 9.582 -0.329 1.00 0.85 H new ATOM 0 HG1 THR A 48 -2.420 7.819 -1.114 1.00 1.01 H new ATOM 0 HG21 THR A 48 -3.567 9.915 0.638 1.00 0.98 H new ATOM 0 HG22 THR A 48 -2.811 11.455 0.164 1.00 0.98 H new ATOM 0 HG23 THR A 48 -4.102 10.751 -0.838 1.00 0.98 H new ATOM 727 N PHE A 49 -1.731 12.930 -1.903 1.00 0.67 N ATOM 728 CA PHE A 49 -1.132 14.254 -1.743 1.00 0.80 C ATOM 729 C PHE A 49 -2.121 15.340 -1.310 1.00 0.84 C ATOM 730 O PHE A 49 -3.337 15.230 -1.473 1.00 0.66 O ATOM 731 CB PHE A 49 -0.401 14.643 -3.044 1.00 0.89 C ATOM 732 CG PHE A 49 -1.250 14.590 -4.307 1.00 0.88 C ATOM 733 CD1 PHE A 49 -2.165 15.627 -4.561 1.00 1.85 C ATOM 734 CD2 PHE A 49 -1.130 13.534 -5.235 1.00 2.20 C ATOM 735 CE1 PHE A 49 -2.944 15.626 -5.731 1.00 1.82 C ATOM 736 CE2 PHE A 49 -1.911 13.534 -6.401 1.00 2.28 C ATOM 737 CZ PHE A 49 -2.810 14.582 -6.658 1.00 1.02 C ATOM 0 H PHE A 49 -2.739 12.939 -2.058 1.00 0.67 H new ATOM 0 HA PHE A 49 -0.419 14.186 -0.921 1.00 0.80 H new ATOM 0 HB2 PHE A 49 -0.008 15.653 -2.932 1.00 0.89 H new ATOM 0 HB3 PHE A 49 0.455 13.980 -3.173 1.00 0.89 H new ATOM 0 HD1 PHE A 49 -2.270 16.433 -3.850 1.00 1.85 H new ATOM 0 HD2 PHE A 49 -0.438 12.726 -5.048 1.00 2.20 H new ATOM 0 HE1 PHE A 49 -3.644 16.427 -5.916 1.00 1.82 H new ATOM 0 HE2 PHE A 49 -1.820 12.721 -7.107 1.00 2.28 H new ATOM 0 HZ PHE A 49 -3.396 14.584 -7.565 1.00 1.02 H new ATOM 747 N MET A 50 -1.562 16.451 -0.820 1.00 1.12 N ATOM 748 CA MET A 50 -2.241 17.736 -0.707 1.00 1.09 C ATOM 749 C MET A 50 -1.991 18.558 -1.982 1.00 1.11 C ATOM 750 O MET A 50 -0.955 18.414 -2.626 1.00 1.23 O ATOM 751 CB MET A 50 -1.751 18.444 0.564 1.00 1.24 C ATOM 752 CG MET A 50 -2.469 19.783 0.731 1.00 1.79 C ATOM 753 SD MET A 50 -2.247 20.585 2.334 1.00 2.29 S ATOM 754 CE MET A 50 -0.668 21.416 2.034 1.00 3.11 C ATOM 0 H MET A 50 -0.599 16.477 -0.484 1.00 1.12 H new ATOM 0 HA MET A 50 -3.319 17.606 -0.617 1.00 1.09 H new ATOM 0 HB2 MET A 50 -1.934 17.814 1.434 1.00 1.24 H new ATOM 0 HB3 MET A 50 -0.674 18.605 0.508 1.00 1.24 H new ATOM 0 HG2 MET A 50 -2.121 20.462 -0.047 1.00 1.79 H new ATOM 0 HG3 MET A 50 -3.535 19.628 0.566 1.00 1.79 H new ATOM 0 HE1 MET A 50 -0.372 21.967 2.926 1.00 3.11 H new ATOM 0 HE2 MET A 50 0.094 20.674 1.796 1.00 3.11 H new ATOM 0 HE3 MET A 50 -0.774 22.108 1.199 1.00 3.11 H new ATOM 764 N ARG A 51 -2.958 19.398 -2.359 1.00 1.08 N ATOM 765 CA ARG A 51 -3.030 20.124 -3.632 1.00 1.07 C ATOM 766 C ARG A 51 -3.836 21.421 -3.460 1.00 1.04 C ATOM 767 O ARG A 51 -4.530 21.601 -2.454 1.00 1.27 O ATOM 768 CB ARG A 51 -3.673 19.194 -4.684 1.00 1.22 C ATOM 769 CG ARG A 51 -3.251 19.460 -6.139 1.00 1.10 C ATOM 770 CD ARG A 51 -4.365 20.093 -6.987 1.00 1.66 C ATOM 771 NE ARG A 51 -3.852 21.095 -7.933 1.00 2.72 N ATOM 772 CZ ARG A 51 -3.022 20.938 -8.953 1.00 3.23 C ATOM 773 NH1 ARG A 51 -2.484 19.775 -9.266 1.00 3.69 N ATOM 774 NH2 ARG A 51 -2.724 21.993 -9.679 1.00 4.42 N ATOM 0 H ARG A 51 -3.754 19.601 -1.754 1.00 1.08 H new ATOM 0 HA ARG A 51 -2.032 20.407 -3.966 1.00 1.07 H new ATOM 0 HB2 ARG A 51 -3.425 18.163 -4.434 1.00 1.22 H new ATOM 0 HB3 ARG A 51 -4.757 19.287 -4.614 1.00 1.22 H new ATOM 0 HG2 ARG A 51 -2.382 20.118 -6.144 1.00 1.10 H new ATOM 0 HG3 ARG A 51 -2.943 18.521 -6.598 1.00 1.10 H new ATOM 0 HD2 ARG A 51 -4.886 19.311 -7.539 1.00 1.66 H new ATOM 0 HD3 ARG A 51 -5.097 20.561 -6.329 1.00 1.66 H new ATOM 0 HE ARG A 51 -4.183 22.048 -7.782 1.00 2.72 H new ATOM 0 HH11 ARG A 51 -2.702 18.947 -8.712 1.00 3.69 H new ATOM 0 HH12 ARG A 51 -1.850 19.704 -10.062 1.00 3.69 H new ATOM 0 HH21 ARG A 51 -3.129 22.901 -9.450 1.00 4.42 H new ATOM 0 HH22 ARG A 51 -2.088 21.904 -10.471 1.00 4.42 H new ATOM 788 N GLU A 52 -3.774 22.315 -4.444 1.00 0.99 N ATOM 789 CA GLU A 52 -4.469 23.588 -4.473 1.00 1.08 C ATOM 790 C GLU A 52 -5.325 23.705 -5.739 1.00 1.05 C ATOM 791 O GLU A 52 -4.819 23.440 -6.832 1.00 1.09 O ATOM 792 CB GLU A 52 -3.364 24.641 -4.534 1.00 1.37 C ATOM 793 CG GLU A 52 -3.903 26.057 -4.473 1.00 1.56 C ATOM 794 CD GLU A 52 -4.062 26.486 -3.031 1.00 1.57 C ATOM 795 OE1 GLU A 52 -4.902 25.896 -2.329 1.00 1.77 O ATOM 796 OE2 GLU A 52 -3.366 27.406 -2.567 1.00 2.50 O ATOM 0 H GLU A 52 -3.210 22.159 -5.279 1.00 0.99 H new ATOM 0 HA GLU A 52 -5.126 23.702 -3.610 1.00 1.08 H new ATOM 0 HB2 GLU A 52 -2.672 24.484 -3.707 1.00 1.37 H new ATOM 0 HB3 GLU A 52 -2.795 24.512 -5.455 1.00 1.37 H new ATOM 0 HG2 GLU A 52 -3.225 26.736 -4.991 1.00 1.56 H new ATOM 0 HG3 GLU A 52 -4.863 26.112 -4.986 1.00 1.56 H new ATOM 803 N VAL A 53 -6.572 24.172 -5.619 1.00 1.08 N ATOM 804 CA VAL A 53 -7.381 24.632 -6.767 1.00 1.20 C ATOM 805 C VAL A 53 -8.099 25.933 -6.384 1.00 1.38 C ATOM 806 O VAL A 53 -8.824 25.962 -5.393 1.00 1.50 O ATOM 807 CB VAL A 53 -8.389 23.554 -7.249 1.00 1.21 C ATOM 808 CG1 VAL A 53 -9.079 23.997 -8.547 1.00 1.82 C ATOM 809 CG2 VAL A 53 -7.710 22.199 -7.537 1.00 2.05 C ATOM 0 H VAL A 53 -7.055 24.244 -4.724 1.00 1.08 H new ATOM 0 HA VAL A 53 -6.712 24.817 -7.608 1.00 1.20 H new ATOM 0 HB VAL A 53 -9.108 23.437 -6.438 1.00 1.21 H new ATOM 0 HG11 VAL A 53 -9.781 23.227 -8.867 1.00 1.82 H new ATOM 0 HG12 VAL A 53 -9.617 24.929 -8.373 1.00 1.82 H new ATOM 0 HG13 VAL A 53 -8.330 24.150 -9.324 1.00 1.82 H new ATOM 0 HG21 VAL A 53 -8.459 21.481 -7.871 1.00 2.05 H new ATOM 0 HG22 VAL A 53 -6.958 22.327 -8.315 1.00 2.05 H new ATOM 0 HG23 VAL A 53 -7.233 21.831 -6.629 1.00 2.05 H new ATOM 819 N GLU A 54 -7.831 27.016 -7.129 1.00 1.76 N ATOM 820 CA GLU A 54 -8.338 28.392 -6.909 1.00 2.07 C ATOM 821 C GLU A 54 -7.805 29.031 -5.601 1.00 2.10 C ATOM 822 O GLU A 54 -8.485 29.849 -4.989 1.00 2.27 O ATOM 823 CB GLU A 54 -9.880 28.465 -6.925 1.00 2.19 C ATOM 824 CG GLU A 54 -10.604 27.877 -8.146 1.00 2.43 C ATOM 825 CD GLU A 54 -11.877 27.195 -7.659 1.00 2.50 C ATOM 826 OE1 GLU A 54 -12.755 27.881 -7.097 1.00 2.83 O ATOM 827 OE2 GLU A 54 -11.881 25.947 -7.581 1.00 3.17 O ATOM 0 H GLU A 54 -7.223 26.960 -7.946 1.00 1.76 H new ATOM 0 HA GLU A 54 -7.953 28.968 -7.751 1.00 2.07 H new ATOM 0 HB2 GLU A 54 -10.250 27.955 -6.036 1.00 2.19 H new ATOM 0 HB3 GLU A 54 -10.168 29.512 -6.835 1.00 2.19 H new ATOM 0 HG2 GLU A 54 -10.844 28.664 -8.862 1.00 2.43 H new ATOM 0 HG3 GLU A 54 -9.962 27.162 -8.661 1.00 2.43 H new ATOM 834 N GLY A 55 -6.633 28.619 -5.100 1.00 2.01 N ATOM 835 CA GLY A 55 -6.151 29.051 -3.774 1.00 2.08 C ATOM 836 C GLY A 55 -6.801 28.287 -2.611 1.00 1.89 C ATOM 837 O GLY A 55 -6.629 28.649 -1.443 1.00 2.11 O ATOM 0 H GLY A 55 -5.999 27.988 -5.590 1.00 2.01 H new ATOM 0 HA2 GLY A 55 -5.070 28.918 -3.727 1.00 2.08 H new ATOM 0 HA3 GLY A 55 -6.347 30.117 -3.654 1.00 2.08 H new ATOM 841 N LYS A 56 -7.530 27.206 -2.916 1.00 1.57 N ATOM 842 CA LYS A 56 -8.224 26.344 -1.959 1.00 1.43 C ATOM 843 C LYS A 56 -7.538 24.971 -1.881 1.00 1.26 C ATOM 844 O LYS A 56 -7.500 24.203 -2.850 1.00 1.12 O ATOM 845 CB LYS A 56 -9.725 26.206 -2.297 1.00 1.50 C ATOM 846 CG LYS A 56 -10.450 27.559 -2.441 1.00 1.84 C ATOM 847 CD LYS A 56 -11.965 27.421 -2.689 1.00 1.89 C ATOM 848 CE LYS A 56 -12.369 27.358 -4.171 1.00 2.32 C ATOM 849 NZ LYS A 56 -11.933 26.126 -4.870 1.00 3.31 N ATOM 0 H LYS A 56 -7.656 26.897 -3.880 1.00 1.57 H new ATOM 0 HA LYS A 56 -8.163 26.814 -0.977 1.00 1.43 H new ATOM 0 HB2 LYS A 56 -9.830 25.646 -3.226 1.00 1.50 H new ATOM 0 HB3 LYS A 56 -10.213 25.623 -1.516 1.00 1.50 H new ATOM 0 HG2 LYS A 56 -10.290 28.146 -1.537 1.00 1.84 H new ATOM 0 HG3 LYS A 56 -10.004 28.115 -3.265 1.00 1.84 H new ATOM 0 HD2 LYS A 56 -12.321 26.519 -2.191 1.00 1.89 H new ATOM 0 HD3 LYS A 56 -12.474 28.265 -2.223 1.00 1.89 H new ATOM 0 HE2 LYS A 56 -13.454 27.438 -4.244 1.00 2.32 H new ATOM 0 HE3 LYS A 56 -11.950 28.222 -4.687 1.00 2.32 H new ATOM 0 HZ1 LYS A 56 -12.447 26.037 -5.769 1.00 3.31 H new ATOM 0 HZ2 LYS A 56 -10.912 26.177 -5.059 1.00 3.31 H new ATOM 0 HZ3 LYS A 56 -12.134 25.299 -4.273 1.00 3.31 H new ATOM 863 N LYS A 57 -7.009 24.677 -0.690 1.00 1.32 N ATOM 864 CA LYS A 57 -6.403 23.414 -0.288 1.00 1.17 C ATOM 865 C LYS A 57 -7.412 22.266 -0.433 1.00 0.97 C ATOM 866 O LYS A 57 -8.531 22.341 0.064 1.00 1.02 O ATOM 867 CB LYS A 57 -5.928 23.525 1.173 1.00 1.27 C ATOM 868 CG LYS A 57 -4.471 23.970 1.404 1.00 2.38 C ATOM 869 CD LYS A 57 -3.943 25.216 0.680 1.00 2.96 C ATOM 870 CE LYS A 57 -4.758 26.497 0.911 1.00 3.24 C ATOM 871 NZ LYS A 57 -4.398 27.541 -0.080 1.00 4.18 N ATOM 0 H LYS A 57 -6.994 25.363 0.065 1.00 1.32 H new ATOM 0 HA LYS A 57 -5.550 23.201 -0.933 1.00 1.17 H new ATOM 0 HB2 LYS A 57 -6.582 24.227 1.689 1.00 1.27 H new ATOM 0 HB3 LYS A 57 -6.065 22.554 1.648 1.00 1.27 H new ATOM 0 HG2 LYS A 57 -4.344 24.134 2.474 1.00 2.38 H new ATOM 0 HG3 LYS A 57 -3.826 23.135 1.131 1.00 2.38 H new ATOM 0 HD2 LYS A 57 -2.916 25.395 0.999 1.00 2.96 H new ATOM 0 HD3 LYS A 57 -3.914 25.010 -0.390 1.00 2.96 H new ATOM 0 HE2 LYS A 57 -5.822 26.273 0.839 1.00 3.24 H new ATOM 0 HE3 LYS A 57 -4.578 26.870 1.919 1.00 3.24 H new ATOM 0 HZ1 LYS A 57 -4.004 28.367 0.414 1.00 4.18 H new ATOM 0 HZ2 LYS A 57 -3.690 27.162 -0.741 1.00 4.18 H new ATOM 0 HZ3 LYS A 57 -5.247 27.826 -0.608 1.00 4.18 H new ATOM 885 N VAL A 58 -6.977 21.215 -1.107 1.00 0.97 N ATOM 886 CA VAL A 58 -7.767 20.032 -1.484 1.00 0.82 C ATOM 887 C VAL A 58 -6.835 18.840 -1.716 1.00 0.71 C ATOM 888 O VAL A 58 -5.700 19.026 -2.142 1.00 0.91 O ATOM 889 CB VAL A 58 -8.656 20.341 -2.718 1.00 0.96 C ATOM 890 CG1 VAL A 58 -7.840 20.663 -3.984 1.00 2.49 C ATOM 891 CG2 VAL A 58 -9.649 19.207 -3.009 1.00 1.88 C ATOM 0 H VAL A 58 -6.011 21.151 -1.428 1.00 0.97 H new ATOM 0 HA VAL A 58 -8.442 19.768 -0.670 1.00 0.82 H new ATOM 0 HB VAL A 58 -9.216 21.237 -2.452 1.00 0.96 H new ATOM 0 HG11 VAL A 58 -8.519 20.870 -4.811 1.00 2.49 H new ATOM 0 HG12 VAL A 58 -7.214 21.536 -3.801 1.00 2.49 H new ATOM 0 HG13 VAL A 58 -7.209 19.811 -4.237 1.00 2.49 H new ATOM 0 HG21 VAL A 58 -10.251 19.465 -3.880 1.00 1.88 H new ATOM 0 HG22 VAL A 58 -9.101 18.285 -3.206 1.00 1.88 H new ATOM 0 HG23 VAL A 58 -10.301 19.064 -2.147 1.00 1.88 H new ATOM 901 N MET A 59 -7.268 17.625 -1.393 1.00 0.62 N ATOM 902 CA MET A 59 -6.436 16.417 -1.462 1.00 0.57 C ATOM 903 C MET A 59 -6.644 15.654 -2.776 1.00 0.60 C ATOM 904 O MET A 59 -7.626 15.865 -3.484 1.00 0.91 O ATOM 905 CB MET A 59 -6.682 15.538 -0.226 1.00 0.66 C ATOM 906 CG MET A 59 -6.248 16.241 1.073 1.00 0.85 C ATOM 907 SD MET A 59 -7.398 17.477 1.740 1.00 2.49 S ATOM 908 CE MET A 59 -6.303 18.915 1.832 1.00 3.28 C ATOM 0 H MET A 59 -8.219 17.444 -1.071 1.00 0.62 H new ATOM 0 HA MET A 59 -5.388 16.717 -1.455 1.00 0.57 H new ATOM 0 HB2 MET A 59 -7.740 15.284 -0.166 1.00 0.66 H new ATOM 0 HB3 MET A 59 -6.135 14.601 -0.332 1.00 0.66 H new ATOM 0 HG2 MET A 59 -6.083 15.480 1.836 1.00 0.85 H new ATOM 0 HG3 MET A 59 -5.289 16.727 0.895 1.00 0.85 H new ATOM 0 HE1 MET A 59 -6.899 19.818 1.965 1.00 3.28 H new ATOM 0 HE2 MET A 59 -5.623 18.801 2.677 1.00 3.28 H new ATOM 0 HE3 MET A 59 -5.726 18.993 0.910 1.00 3.28 H new ATOM 918 N GLY A 60 -5.690 14.784 -3.121 1.00 0.56 N ATOM 919 CA GLY A 60 -5.707 13.998 -4.357 1.00 0.59 C ATOM 920 C GLY A 60 -4.902 12.704 -4.289 1.00 0.54 C ATOM 921 O GLY A 60 -4.330 12.350 -3.261 1.00 0.55 O ATOM 0 H GLY A 60 -4.872 14.604 -2.540 1.00 0.56 H new ATOM 0 HA2 GLY A 60 -6.740 13.757 -4.606 1.00 0.59 H new ATOM 0 HA3 GLY A 60 -5.318 14.612 -5.170 1.00 0.59 H new ATOM 925 N MET A 61 -4.903 11.988 -5.413 1.00 0.61 N ATOM 926 CA MET A 61 -4.338 10.653 -5.598 1.00 0.57 C ATOM 927 C MET A 61 -4.102 10.412 -7.090 1.00 0.60 C ATOM 928 O MET A 61 -4.848 10.902 -7.935 1.00 0.72 O ATOM 929 CB MET A 61 -5.318 9.636 -4.977 1.00 0.62 C ATOM 930 CG MET A 61 -5.109 8.161 -5.364 1.00 0.68 C ATOM 931 SD MET A 61 -6.498 7.005 -5.075 1.00 0.75 S ATOM 932 CE MET A 61 -7.322 7.737 -3.642 1.00 0.81 C ATOM 0 H MET A 61 -5.324 12.347 -6.270 1.00 0.61 H new ATOM 0 HA MET A 61 -3.373 10.545 -5.102 1.00 0.57 H new ATOM 0 HB2 MET A 61 -5.253 9.717 -3.892 1.00 0.62 H new ATOM 0 HB3 MET A 61 -6.331 9.923 -5.258 1.00 0.62 H new ATOM 0 HG2 MET A 61 -4.856 8.124 -6.424 1.00 0.68 H new ATOM 0 HG3 MET A 61 -4.243 7.789 -4.816 1.00 0.68 H new ATOM 0 HE1 MET A 61 -8.082 7.050 -3.269 1.00 0.81 H new ATOM 0 HE2 MET A 61 -6.589 7.927 -2.858 1.00 0.81 H new ATOM 0 HE3 MET A 61 -7.793 8.676 -3.933 1.00 0.81 H new ATOM 942 N ARG A 62 -3.072 9.626 -7.396 1.00 0.55 N ATOM 943 CA ARG A 62 -2.672 9.234 -8.751 1.00 0.57 C ATOM 944 C ARG A 62 -1.997 7.853 -8.721 1.00 0.53 C ATOM 945 O ARG A 62 -1.459 7.487 -7.675 1.00 0.54 O ATOM 946 CB ARG A 62 -1.667 10.260 -9.293 1.00 0.73 C ATOM 947 CG ARG A 62 -2.273 11.557 -9.846 1.00 1.21 C ATOM 948 CD ARG A 62 -1.272 12.303 -10.750 1.00 1.71 C ATOM 949 NE ARG A 62 0.100 12.296 -10.196 1.00 2.94 N ATOM 950 CZ ARG A 62 1.180 11.715 -10.704 1.00 3.89 C ATOM 951 NH1 ARG A 62 1.232 11.250 -11.934 1.00 3.90 N ATOM 952 NH2 ARG A 62 2.242 11.561 -9.951 1.00 5.17 N ATOM 0 H ARG A 62 -2.466 9.227 -6.679 1.00 0.55 H new ATOM 0 HA ARG A 62 -3.556 9.194 -9.387 1.00 0.57 H new ATOM 0 HB2 ARG A 62 -0.972 10.517 -8.494 1.00 0.73 H new ATOM 0 HB3 ARG A 62 -1.084 9.787 -10.083 1.00 0.73 H new ATOM 0 HG2 ARG A 62 -3.175 11.327 -10.412 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -2.571 12.203 -9.020 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -1.265 11.842 -11.738 1.00 1.71 H new ATOM 0 HD3 ARG A 62 -1.603 13.333 -10.882 1.00 1.71 H new ATOM 0 HE ARG A 62 0.232 12.798 -9.318 1.00 2.94 H new ATOM 0 HH11 ARG A 62 0.418 11.328 -12.544 1.00 3.90 H new ATOM 0 HH12 ARG A 62 2.086 10.811 -12.278 1.00 3.90 H new ATOM 0 HH21 ARG A 62 2.233 11.886 -8.984 1.00 5.17 H new ATOM 0 HH22 ARG A 62 3.077 11.116 -10.332 1.00 5.17 H new ATOM 966 N PRO A 63 -1.984 7.087 -9.827 1.00 0.56 N ATOM 967 CA PRO A 63 -1.152 5.901 -9.933 1.00 0.58 C ATOM 968 C PRO A 63 0.308 6.282 -10.200 1.00 0.61 C ATOM 969 O PRO A 63 0.578 7.331 -10.782 1.00 0.63 O ATOM 970 CB PRO A 63 -1.755 5.091 -11.074 1.00 0.62 C ATOM 971 CG PRO A 63 -2.265 6.183 -12.017 1.00 0.63 C ATOM 972 CD PRO A 63 -2.734 7.286 -11.059 1.00 0.61 C ATOM 0 HA PRO A 63 -1.135 5.322 -9.010 1.00 0.58 H new ATOM 0 HB2 PRO A 63 -1.014 4.452 -11.555 1.00 0.62 H new ATOM 0 HB3 PRO A 63 -2.560 4.442 -10.730 1.00 0.62 H new ATOM 0 HG2 PRO A 63 -1.479 6.537 -12.684 1.00 0.63 H new ATOM 0 HG3 PRO A 63 -3.079 5.823 -12.646 1.00 0.63 H new ATOM 0 HD2 PRO A 63 -2.543 8.274 -11.477 1.00 0.61 H new ATOM 0 HD3 PRO A 63 -3.807 7.217 -10.879 1.00 0.61 H new ATOM 980 N VAL A 64 1.232 5.414 -9.779 1.00 0.63 N ATOM 981 CA VAL A 64 2.690 5.609 -9.898 1.00 0.64 C ATOM 982 C VAL A 64 3.380 4.293 -10.306 1.00 0.61 C ATOM 983 O VAL A 64 2.837 3.223 -10.020 1.00 0.57 O ATOM 984 CB VAL A 64 3.312 6.189 -8.600 1.00 0.64 C ATOM 985 CG1 VAL A 64 2.801 7.612 -8.333 1.00 0.68 C ATOM 986 CG2 VAL A 64 3.097 5.314 -7.356 1.00 0.74 C ATOM 0 H VAL A 64 0.986 4.530 -9.333 1.00 0.63 H new ATOM 0 HA VAL A 64 2.858 6.346 -10.683 1.00 0.64 H new ATOM 0 HB VAL A 64 4.387 6.209 -8.781 1.00 0.64 H new ATOM 0 HG11 VAL A 64 3.252 7.995 -7.418 1.00 0.68 H new ATOM 0 HG12 VAL A 64 3.071 8.258 -9.168 1.00 0.68 H new ATOM 0 HG13 VAL A 64 1.717 7.595 -8.223 1.00 0.68 H new ATOM 0 HG21 VAL A 64 3.562 5.789 -6.492 1.00 0.74 H new ATOM 0 HG22 VAL A 64 2.029 5.196 -7.174 1.00 0.74 H new ATOM 0 HG23 VAL A 64 3.548 4.335 -7.518 1.00 0.74 H new ATOM 996 N PRO A 65 4.537 4.340 -11.004 1.00 0.65 N ATOM 997 CA PRO A 65 5.160 3.161 -11.605 1.00 0.62 C ATOM 998 C PRO A 65 5.869 2.282 -10.576 1.00 0.55 C ATOM 999 O PRO A 65 6.022 1.089 -10.818 1.00 0.53 O ATOM 1000 CB PRO A 65 6.125 3.711 -12.658 1.00 0.68 C ATOM 1001 CG PRO A 65 6.562 5.049 -12.068 1.00 0.70 C ATOM 1002 CD PRO A 65 5.309 5.532 -11.338 1.00 0.72 C ATOM 0 HA PRO A 65 4.413 2.502 -12.048 1.00 0.62 H new ATOM 0 HB2 PRO A 65 6.973 3.044 -12.814 1.00 0.68 H new ATOM 0 HB3 PRO A 65 5.637 3.838 -13.624 1.00 0.68 H new ATOM 0 HG2 PRO A 65 7.406 4.933 -11.387 1.00 0.70 H new ATOM 0 HG3 PRO A 65 6.872 5.750 -12.843 1.00 0.70 H new ATOM 0 HD2 PRO A 65 5.574 6.087 -10.438 1.00 0.72 H new ATOM 0 HD3 PRO A 65 4.729 6.206 -11.968 1.00 0.72 H new ATOM 1010 N PHE A 66 6.271 2.866 -9.443 1.00 0.53 N ATOM 1011 CA PHE A 66 6.972 2.211 -8.336 1.00 0.48 C ATOM 1012 C PHE A 66 7.115 3.163 -7.137 1.00 0.54 C ATOM 1013 O PHE A 66 6.838 4.359 -7.250 1.00 0.70 O ATOM 1014 CB PHE A 66 8.334 1.662 -8.804 1.00 0.45 C ATOM 1015 CG PHE A 66 9.306 2.717 -9.268 1.00 0.46 C ATOM 1016 CD1 PHE A 66 10.131 3.356 -8.333 1.00 1.65 C ATOM 1017 CD2 PHE A 66 9.355 3.081 -10.622 1.00 1.91 C ATOM 1018 CE1 PHE A 66 10.992 4.387 -8.730 1.00 1.67 C ATOM 1019 CE2 PHE A 66 10.243 4.094 -11.035 1.00 1.92 C ATOM 1020 CZ PHE A 66 11.056 4.752 -10.088 1.00 0.52 C ATOM 0 H PHE A 66 6.108 3.857 -9.265 1.00 0.53 H new ATOM 0 HA PHE A 66 6.376 1.362 -8.002 1.00 0.48 H new ATOM 0 HB2 PHE A 66 8.787 1.103 -7.985 1.00 0.45 H new ATOM 0 HB3 PHE A 66 8.167 0.956 -9.618 1.00 0.45 H new ATOM 0 HD1 PHE A 66 10.103 3.051 -7.297 1.00 1.65 H new ATOM 0 HD2 PHE A 66 8.718 2.589 -11.342 1.00 1.91 H new ATOM 0 HE1 PHE A 66 11.602 4.898 -8.000 1.00 1.67 H new ATOM 0 HE2 PHE A 66 10.301 4.367 -12.078 1.00 1.92 H new ATOM 0 HZ PHE A 66 11.728 5.536 -10.405 1.00 0.52 H new ATOM 1030 N LEU A 67 7.610 2.630 -6.011 1.00 0.51 N ATOM 1031 CA LEU A 67 8.188 3.369 -4.883 1.00 0.59 C ATOM 1032 C LEU A 67 9.653 2.963 -4.692 1.00 0.60 C ATOM 1033 O LEU A 67 10.035 1.850 -5.052 1.00 0.57 O ATOM 1034 CB LEU A 67 7.450 3.052 -3.570 1.00 0.62 C ATOM 1035 CG LEU A 67 5.919 3.105 -3.591 1.00 0.64 C ATOM 1036 CD1 LEU A 67 5.430 2.784 -2.176 1.00 0.71 C ATOM 1037 CD2 LEU A 67 5.370 4.463 -4.024 1.00 0.70 C ATOM 0 H LEU A 67 7.618 1.622 -5.856 1.00 0.51 H new ATOM 0 HA LEU A 67 8.098 4.431 -5.111 1.00 0.59 H new ATOM 0 HB2 LEU A 67 7.748 2.054 -3.249 1.00 0.62 H new ATOM 0 HB3 LEU A 67 7.801 3.750 -2.810 1.00 0.62 H new ATOM 0 HG LEU A 67 5.560 2.383 -4.324 1.00 0.64 H new ATOM 0 HD11 LEU A 67 4.341 2.813 -2.152 1.00 0.71 H new ATOM 0 HD12 LEU A 67 5.773 1.790 -1.889 1.00 0.71 H new ATOM 0 HD13 LEU A 67 5.828 3.521 -1.478 1.00 0.71 H new ATOM 0 HD21 LEU A 67 4.280 4.434 -4.018 1.00 0.70 H new ATOM 0 HD22 LEU A 67 5.716 5.232 -3.334 1.00 0.70 H new ATOM 0 HD23 LEU A 67 5.721 4.693 -5.030 1.00 0.70 H new ATOM 1049 N GLU A 68 10.453 3.845 -4.101 1.00 0.69 N ATOM 1050 CA GLU A 68 11.875 3.610 -3.818 1.00 0.75 C ATOM 1051 C GLU A 68 12.116 3.574 -2.309 1.00 0.76 C ATOM 1052 O GLU A 68 11.567 4.412 -1.594 1.00 0.82 O ATOM 1053 CB GLU A 68 12.713 4.743 -4.444 1.00 0.95 C ATOM 1054 CG GLU A 68 14.236 4.574 -4.289 1.00 1.01 C ATOM 1055 CD GLU A 68 14.833 3.564 -5.269 1.00 0.87 C ATOM 1056 OE1 GLU A 68 14.102 2.694 -5.785 1.00 1.87 O ATOM 1057 OE2 GLU A 68 16.034 3.670 -5.594 1.00 1.63 O ATOM 0 H GLU A 68 10.130 4.763 -3.797 1.00 0.69 H new ATOM 0 HA GLU A 68 12.169 2.651 -4.246 1.00 0.75 H new ATOM 0 HB2 GLU A 68 12.474 4.810 -5.505 1.00 0.95 H new ATOM 0 HB3 GLU A 68 12.417 5.689 -3.990 1.00 0.95 H new ATOM 0 HG2 GLU A 68 14.719 5.540 -4.434 1.00 1.01 H new ATOM 0 HG3 GLU A 68 14.458 4.257 -3.270 1.00 1.01 H new ATOM 1064 N VAL A 69 12.982 2.670 -1.837 1.00 0.77 N ATOM 1065 CA VAL A 69 13.512 2.690 -0.463 1.00 0.79 C ATOM 1066 C VAL A 69 15.020 2.379 -0.451 1.00 0.81 C ATOM 1067 O VAL A 69 15.432 1.355 -0.997 1.00 0.82 O ATOM 1068 CB VAL A 69 12.745 1.711 0.463 1.00 0.77 C ATOM 1069 CG1 VAL A 69 13.291 1.730 1.905 1.00 0.77 C ATOM 1070 CG2 VAL A 69 11.246 2.063 0.522 1.00 0.86 C ATOM 0 H VAL A 69 13.339 1.897 -2.399 1.00 0.77 H new ATOM 0 HA VAL A 69 13.364 3.697 -0.073 1.00 0.79 H new ATOM 0 HB VAL A 69 12.886 0.719 0.035 1.00 0.77 H new ATOM 0 HG11 VAL A 69 12.724 1.029 2.518 1.00 0.77 H new ATOM 0 HG12 VAL A 69 14.342 1.440 1.900 1.00 0.77 H new ATOM 0 HG13 VAL A 69 13.194 2.734 2.318 1.00 0.77 H new ATOM 0 HG21 VAL A 69 10.733 1.360 1.178 1.00 0.86 H new ATOM 0 HG22 VAL A 69 11.125 3.075 0.908 1.00 0.86 H new ATOM 0 HG23 VAL A 69 10.819 2.003 -0.479 1.00 0.86 H new ATOM 1080 N PRO A 70 15.861 3.224 0.183 1.00 0.87 N ATOM 1081 CA PRO A 70 17.311 3.033 0.251 1.00 0.93 C ATOM 1082 C PRO A 70 17.692 1.821 1.124 1.00 0.92 C ATOM 1083 O PRO A 70 16.835 1.276 1.822 1.00 0.94 O ATOM 1084 CB PRO A 70 17.863 4.347 0.823 1.00 0.98 C ATOM 1085 CG PRO A 70 16.720 4.863 1.690 1.00 0.94 C ATOM 1086 CD PRO A 70 15.492 4.448 0.886 1.00 0.90 C ATOM 0 HA PRO A 70 17.733 2.813 -0.730 1.00 0.93 H new ATOM 0 HB2 PRO A 70 18.768 4.182 1.408 1.00 0.98 H new ATOM 0 HB3 PRO A 70 18.118 5.053 0.033 1.00 0.98 H new ATOM 0 HG2 PRO A 70 16.727 4.413 2.683 1.00 0.94 H new ATOM 0 HG3 PRO A 70 16.770 5.943 1.829 1.00 0.94 H new ATOM 0 HD2 PRO A 70 14.637 4.278 1.541 1.00 0.90 H new ATOM 0 HD3 PRO A 70 15.205 5.230 0.183 1.00 0.90 H new ATOM 1094 N PRO A 71 18.972 1.396 1.116 1.00 0.97 N ATOM 1095 CA PRO A 71 19.471 0.350 2.005 1.00 0.97 C ATOM 1096 C PRO A 71 19.277 0.681 3.485 1.00 0.99 C ATOM 1097 O PRO A 71 19.385 1.837 3.889 1.00 1.10 O ATOM 1098 CB PRO A 71 20.939 0.158 1.645 1.00 1.09 C ATOM 1099 CG PRO A 71 21.341 1.390 0.852 1.00 1.16 C ATOM 1100 CD PRO A 71 20.031 1.841 0.219 1.00 1.05 C ATOM 0 HA PRO A 71 18.906 -0.571 1.864 1.00 0.97 H new ATOM 0 HB2 PRO A 71 21.550 0.055 2.542 1.00 1.09 H new ATOM 0 HB3 PRO A 71 21.081 -0.748 1.056 1.00 1.09 H new ATOM 0 HG2 PRO A 71 21.764 2.162 1.495 1.00 1.16 H new ATOM 0 HG3 PRO A 71 22.093 1.156 0.098 1.00 1.16 H new ATOM 0 HD2 PRO A 71 20.009 2.924 0.098 1.00 1.05 H new ATOM 0 HD3 PRO A 71 19.908 1.407 -0.773 1.00 1.05 H new ATOM 1108 N LYS A 72 18.965 -0.348 4.285 1.00 0.96 N ATOM 1109 CA LYS A 72 18.777 -0.272 5.749 1.00 1.03 C ATOM 1110 C LYS A 72 17.581 0.606 6.179 1.00 1.07 C ATOM 1111 O LYS A 72 17.386 0.893 7.360 1.00 1.22 O ATOM 1112 CB LYS A 72 20.104 0.109 6.432 1.00 1.17 C ATOM 1113 CG LYS A 72 21.316 -0.688 5.915 1.00 1.36 C ATOM 1114 CD LYS A 72 21.253 -2.209 6.166 1.00 1.18 C ATOM 1115 CE LYS A 72 22.166 -2.667 7.309 1.00 1.82 C ATOM 1116 NZ LYS A 72 23.569 -2.812 6.856 1.00 2.41 N ATOM 0 H LYS A 72 18.831 -1.292 3.922 1.00 0.96 H new ATOM 0 HA LYS A 72 18.498 -1.266 6.099 1.00 1.03 H new ATOM 0 HB2 LYS A 72 20.288 1.173 6.281 1.00 1.17 H new ATOM 0 HB3 LYS A 72 20.008 -0.048 7.506 1.00 1.17 H new ATOM 0 HG2 LYS A 72 21.414 -0.516 4.843 1.00 1.36 H new ATOM 0 HG3 LYS A 72 22.217 -0.295 6.385 1.00 1.36 H new ATOM 0 HD2 LYS A 72 20.225 -2.492 6.394 1.00 1.18 H new ATOM 0 HD3 LYS A 72 21.533 -2.734 5.253 1.00 1.18 H new ATOM 0 HE2 LYS A 72 22.118 -1.946 8.125 1.00 1.82 H new ATOM 0 HE3 LYS A 72 21.809 -3.619 7.703 1.00 1.82 H new ATOM 0 HZ1 LYS A 72 24.204 -2.786 7.679 1.00 2.41 H new ATOM 0 HZ2 LYS A 72 23.682 -3.719 6.360 1.00 2.41 H new ATOM 0 HZ3 LYS A 72 23.808 -2.032 6.210 1.00 2.41 H new ATOM 1130 N GLY A 73 16.781 1.034 5.201 1.00 1.08 N ATOM 1131 CA GLY A 73 15.572 1.855 5.340 1.00 1.20 C ATOM 1132 C GLY A 73 14.307 1.041 5.645 1.00 1.06 C ATOM 1133 O GLY A 73 14.258 -0.168 5.428 1.00 0.97 O ATOM 0 H GLY A 73 16.971 0.802 4.226 1.00 1.08 H new ATOM 0 HA2 GLY A 73 15.727 2.582 6.137 1.00 1.20 H new ATOM 0 HA3 GLY A 73 15.418 2.419 4.420 1.00 1.20 H new ATOM 1137 N ARG A 74 13.253 1.721 6.110 1.00 1.23 N ATOM 1138 CA ARG A 74 11.926 1.121 6.339 1.00 1.21 C ATOM 1139 C ARG A 74 11.031 1.310 5.111 1.00 1.93 C ATOM 1140 O ARG A 74 11.124 2.325 4.428 1.00 2.61 O ATOM 1141 CB ARG A 74 11.238 1.700 7.586 1.00 1.47 C ATOM 1142 CG ARG A 74 12.141 1.688 8.829 1.00 1.60 C ATOM 1143 CD ARG A 74 11.345 1.758 10.114 1.00 1.86 C ATOM 1144 NE ARG A 74 12.187 2.128 11.270 1.00 3.12 N ATOM 1145 CZ ARG A 74 12.515 1.352 12.301 1.00 4.24 C ATOM 1146 NH1 ARG A 74 12.134 0.101 12.405 1.00 4.76 N ATOM 1147 NH2 ARG A 74 13.262 1.840 13.267 1.00 5.58 N ATOM 0 H ARG A 74 13.294 2.714 6.341 1.00 1.23 H new ATOM 0 HA ARG A 74 12.081 0.056 6.511 1.00 1.21 H new ATOM 0 HB2 ARG A 74 10.926 2.724 7.380 1.00 1.47 H new ATOM 0 HB3 ARG A 74 10.334 1.127 7.795 1.00 1.47 H new ATOM 0 HG2 ARG A 74 12.746 0.782 8.827 1.00 1.60 H new ATOM 0 HG3 ARG A 74 12.830 2.532 8.784 1.00 1.60 H new ATOM 0 HD2 ARG A 74 10.542 2.487 10.003 1.00 1.86 H new ATOM 0 HD3 ARG A 74 10.876 0.792 10.302 1.00 1.86 H new ATOM 0 HE ARG A 74 12.556 3.079 11.279 1.00 3.12 H new ATOM 0 HH11 ARG A 74 11.559 -0.319 11.675 1.00 4.76 H new ATOM 0 HH12 ARG A 74 12.413 -0.451 13.216 1.00 4.76 H new ATOM 0 HH21 ARG A 74 13.586 2.806 13.223 1.00 5.58 H new ATOM 0 HH22 ARG A 74 13.518 1.252 14.060 1.00 5.58 H new ATOM 1161 N VAL A 75 10.136 0.359 4.873 1.00 2.21 N ATOM 1162 CA VAL A 75 9.207 0.290 3.732 1.00 3.18 C ATOM 1163 C VAL A 75 7.776 0.336 4.295 1.00 2.54 C ATOM 1164 O VAL A 75 6.971 -0.572 4.102 1.00 2.61 O ATOM 1165 CB VAL A 75 9.453 -0.991 2.885 1.00 4.55 C ATOM 1166 CG1 VAL A 75 8.691 -0.980 1.545 1.00 5.52 C ATOM 1167 CG2 VAL A 75 10.933 -1.285 2.566 1.00 5.35 C ATOM 0 H VAL A 75 10.026 -0.435 5.503 1.00 2.21 H new ATOM 0 HA VAL A 75 9.366 1.133 3.059 1.00 3.18 H new ATOM 0 HB VAL A 75 9.076 -1.778 3.538 1.00 4.55 H new ATOM 0 HG11 VAL A 75 8.902 -1.899 0.999 1.00 5.52 H new ATOM 0 HG12 VAL A 75 7.620 -0.909 1.736 1.00 5.52 H new ATOM 0 HG13 VAL A 75 9.011 -0.124 0.951 1.00 5.52 H new ATOM 0 HG21 VAL A 75 11.003 -2.197 1.972 1.00 5.35 H new ATOM 0 HG22 VAL A 75 11.356 -0.453 2.004 1.00 5.35 H new ATOM 0 HG23 VAL A 75 11.487 -1.414 3.496 1.00 5.35 H new ATOM 1177 N GLU A 76 7.470 1.393 5.051 1.00 2.19 N ATOM 1178 CA GLU A 76 6.100 1.722 5.452 1.00 1.53 C ATOM 1179 C GLU A 76 5.474 2.622 4.391 1.00 1.33 C ATOM 1180 O GLU A 76 6.086 3.588 3.931 1.00 1.68 O ATOM 1181 CB GLU A 76 6.022 2.303 6.873 1.00 1.56 C ATOM 1182 CG GLU A 76 6.966 3.484 7.133 1.00 1.77 C ATOM 1183 CD GLU A 76 6.263 4.738 7.656 1.00 2.06 C ATOM 1184 OE1 GLU A 76 5.101 5.034 7.279 1.00 2.90 O ATOM 1185 OE2 GLU A 76 6.917 5.512 8.395 1.00 2.88 O ATOM 0 H GLU A 76 8.168 2.047 5.404 1.00 2.19 H new ATOM 0 HA GLU A 76 5.515 0.804 5.507 1.00 1.53 H new ATOM 0 HB2 GLU A 76 4.998 2.624 7.064 1.00 1.56 H new ATOM 0 HB3 GLU A 76 6.246 1.511 7.588 1.00 1.56 H new ATOM 0 HG2 GLU A 76 7.725 3.178 7.853 1.00 1.77 H new ATOM 0 HG3 GLU A 76 7.486 3.731 6.208 1.00 1.77 H new ATOM 1192 N LEU A 77 4.278 2.243 3.933 1.00 0.98 N ATOM 1193 CA LEU A 77 3.689 2.789 2.710 1.00 1.00 C ATOM 1194 C LEU A 77 3.156 4.214 2.889 1.00 1.45 C ATOM 1195 O LEU A 77 3.081 4.945 1.919 1.00 3.13 O ATOM 1196 CB LEU A 77 2.600 1.815 2.202 1.00 0.75 C ATOM 1197 CG LEU A 77 2.689 1.527 0.692 1.00 0.78 C ATOM 1198 CD1 LEU A 77 3.981 0.789 0.299 1.00 0.88 C ATOM 1199 CD2 LEU A 77 1.500 0.653 0.277 1.00 1.33 C ATOM 0 H LEU A 77 3.693 1.550 4.399 1.00 0.98 H new ATOM 0 HA LEU A 77 4.472 2.877 1.957 1.00 1.00 H new ATOM 0 HB2 LEU A 77 2.681 0.875 2.748 1.00 0.75 H new ATOM 0 HB3 LEU A 77 1.618 2.231 2.427 1.00 0.75 H new ATOM 0 HG LEU A 77 2.682 2.491 0.184 1.00 0.78 H new ATOM 0 HD11 LEU A 77 3.987 0.614 -0.777 1.00 0.88 H new ATOM 0 HD12 LEU A 77 4.844 1.396 0.573 1.00 0.88 H new ATOM 0 HD13 LEU A 77 4.028 -0.166 0.822 1.00 0.88 H new ATOM 0 HD21 LEU A 77 1.557 0.445 -0.791 1.00 1.33 H new ATOM 0 HD22 LEU A 77 1.527 -0.285 0.831 1.00 1.33 H new ATOM 0 HD23 LEU A 77 0.569 1.177 0.496 1.00 1.33 H new ATOM 1211 N LYS A 78 2.811 4.608 4.117 1.00 1.12 N ATOM 1212 CA LYS A 78 2.379 5.947 4.533 1.00 1.33 C ATOM 1213 C LYS A 78 0.910 6.193 4.113 1.00 1.21 C ATOM 1214 O LYS A 78 0.678 6.584 2.971 1.00 1.14 O ATOM 1215 CB LYS A 78 3.348 7.027 3.974 1.00 2.00 C ATOM 1216 CG LYS A 78 3.256 8.407 4.646 1.00 1.25 C ATOM 1217 CD LYS A 78 3.762 8.416 6.101 1.00 2.07 C ATOM 1218 CE LYS A 78 5.251 8.050 6.217 1.00 2.65 C ATOM 1219 NZ LYS A 78 5.602 7.659 7.599 1.00 4.00 N ATOM 0 H LYS A 78 2.827 3.956 4.902 1.00 1.12 H new ATOM 0 HA LYS A 78 2.417 6.017 5.620 1.00 1.33 H new ATOM 0 HB2 LYS A 78 4.370 6.661 4.074 1.00 2.00 H new ATOM 0 HB3 LYS A 78 3.155 7.147 2.908 1.00 2.00 H new ATOM 0 HG2 LYS A 78 3.834 9.125 4.064 1.00 1.25 H new ATOM 0 HG3 LYS A 78 2.219 8.743 4.628 1.00 1.25 H new ATOM 0 HD2 LYS A 78 3.601 9.405 6.531 1.00 2.07 H new ATOM 0 HD3 LYS A 78 3.173 7.713 6.690 1.00 2.07 H new ATOM 0 HE2 LYS A 78 5.480 7.231 5.536 1.00 2.65 H new ATOM 0 HE3 LYS A 78 5.861 8.900 5.911 1.00 2.65 H new ATOM 0 HZ1 LYS A 78 6.568 7.274 7.616 1.00 4.00 H new ATOM 0 HZ2 LYS A 78 5.551 8.492 8.219 1.00 4.00 H new ATOM 0 HZ3 LYS A 78 4.935 6.936 7.935 1.00 4.00 H new ATOM 1233 N PRO A 79 -0.092 6.079 5.010 1.00 1.35 N ATOM 1234 CA PRO A 79 -1.499 6.213 4.619 1.00 1.51 C ATOM 1235 C PRO A 79 -1.857 7.580 4.021 1.00 1.45 C ATOM 1236 O PRO A 79 -2.715 7.664 3.145 1.00 2.27 O ATOM 1237 CB PRO A 79 -2.318 5.880 5.872 1.00 1.81 C ATOM 1238 CG PRO A 79 -1.346 6.126 7.025 1.00 1.72 C ATOM 1239 CD PRO A 79 0.008 5.750 6.425 1.00 1.57 C ATOM 0 HA PRO A 79 -1.725 5.528 3.802 1.00 1.51 H new ATOM 0 HB2 PRO A 79 -3.201 6.514 5.952 1.00 1.81 H new ATOM 0 HB3 PRO A 79 -2.667 4.848 5.858 1.00 1.81 H new ATOM 0 HG2 PRO A 79 -1.366 7.165 7.354 1.00 1.72 H new ATOM 0 HG3 PRO A 79 -1.587 5.512 7.893 1.00 1.72 H new ATOM 0 HD2 PRO A 79 0.817 6.305 6.901 1.00 1.57 H new ATOM 0 HD3 PRO A 79 0.221 4.691 6.568 1.00 1.57 H new ATOM 1247 N GLY A 80 -1.147 8.635 4.440 1.00 1.22 N ATOM 1248 CA GLY A 80 -1.264 9.983 3.881 1.00 1.21 C ATOM 1249 C GLY A 80 -0.363 10.266 2.675 1.00 1.11 C ATOM 1250 O GLY A 80 -0.269 11.433 2.308 1.00 1.51 O ATOM 0 H GLY A 80 -0.462 8.571 5.193 1.00 1.22 H new ATOM 0 HA2 GLY A 80 -2.301 10.149 3.588 1.00 1.21 H new ATOM 0 HA3 GLY A 80 -1.034 10.706 4.664 1.00 1.21 H new ATOM 1254 N GLY A 81 0.303 9.268 2.064 1.00 1.03 N ATOM 1255 CA GLY A 81 1.063 9.520 0.825 1.00 0.94 C ATOM 1256 C GLY A 81 1.351 8.408 -0.166 1.00 1.18 C ATOM 1257 O GLY A 81 1.461 8.723 -1.345 1.00 2.27 O ATOM 0 H GLY A 81 0.331 8.304 2.397 1.00 1.03 H new ATOM 0 HA2 GLY A 81 0.532 10.301 0.280 1.00 0.94 H new ATOM 0 HA3 GLY A 81 2.025 9.937 1.122 1.00 0.94 H new ATOM 1261 N TYR A 82 1.402 7.138 0.217 1.00 0.63 N ATOM 1262 CA TYR A 82 1.338 6.040 -0.758 1.00 0.57 C ATOM 1263 C TYR A 82 0.495 4.859 -0.279 1.00 0.58 C ATOM 1264 O TYR A 82 0.382 4.541 0.905 1.00 0.68 O ATOM 1265 CB TYR A 82 2.723 5.561 -1.208 1.00 0.75 C ATOM 1266 CG TYR A 82 3.559 6.614 -1.886 1.00 0.69 C ATOM 1267 CD1 TYR A 82 3.411 6.835 -3.265 1.00 2.18 C ATOM 1268 CD2 TYR A 82 4.471 7.379 -1.140 1.00 1.75 C ATOM 1269 CE1 TYR A 82 4.194 7.803 -3.909 1.00 2.11 C ATOM 1270 CE2 TYR A 82 5.241 8.367 -1.774 1.00 1.85 C ATOM 1271 CZ TYR A 82 5.117 8.571 -3.169 1.00 0.75 C ATOM 1272 OH TYR A 82 5.895 9.498 -3.793 1.00 0.90 O ATOM 0 H TYR A 82 1.487 6.837 1.188 1.00 0.63 H new ATOM 0 HA TYR A 82 0.836 6.469 -1.625 1.00 0.57 H new ATOM 0 HB2 TYR A 82 3.265 5.189 -0.338 1.00 0.75 H new ATOM 0 HB3 TYR A 82 2.599 4.720 -1.890 1.00 0.75 H new ATOM 0 HD1 TYR A 82 2.693 6.259 -3.830 1.00 2.18 H new ATOM 0 HD2 TYR A 82 4.580 7.207 -0.079 1.00 1.75 H new ATOM 0 HE1 TYR A 82 4.090 7.961 -4.972 1.00 2.11 H new ATOM 0 HE2 TYR A 82 5.927 8.970 -1.198 1.00 1.85 H new ATOM 0 HH TYR A 82 6.473 9.937 -3.134 1.00 0.90 H new ATOM 1282 N HIS A 83 -0.139 4.202 -1.245 1.00 0.54 N ATOM 1283 CA HIS A 83 -0.994 3.052 -0.972 1.00 0.57 C ATOM 1284 C HIS A 83 -1.180 2.166 -2.202 1.00 0.55 C ATOM 1285 O HIS A 83 -1.208 2.663 -3.331 1.00 0.58 O ATOM 1286 CB HIS A 83 -2.343 3.515 -0.408 1.00 0.64 C ATOM 1287 CG HIS A 83 -3.163 4.326 -1.369 1.00 0.66 C ATOM 1288 ND1 HIS A 83 -3.050 5.680 -1.587 1.00 0.62 N ATOM 1289 CD2 HIS A 83 -4.073 3.844 -2.270 1.00 0.73 C ATOM 1290 CE1 HIS A 83 -3.841 5.994 -2.619 1.00 0.65 C ATOM 1291 NE2 HIS A 83 -4.521 4.918 -3.029 1.00 0.72 N ATOM 0 H HIS A 83 -0.076 4.449 -2.233 1.00 0.54 H new ATOM 0 HA HIS A 83 -0.495 2.439 -0.221 1.00 0.57 H new ATOM 0 HB2 HIS A 83 -2.918 2.640 -0.105 1.00 0.64 H new ATOM 0 HB3 HIS A 83 -2.165 4.106 0.490 1.00 0.64 H new ATOM 0 HD2 HIS A 83 -4.386 2.815 -2.373 1.00 0.73 H new ATOM 0 HE1 HIS A 83 -3.919 6.977 -3.059 1.00 0.65 H new ATOM 0 HE2 HIS A 83 -5.233 4.891 -3.759 1.00 0.72 H new ATOM 1299 N PHE A 84 -1.428 0.878 -1.979 1.00 0.53 N ATOM 1300 CA PHE A 84 -2.010 0.040 -3.014 1.00 0.52 C ATOM 1301 C PHE A 84 -3.510 0.311 -3.091 1.00 0.51 C ATOM 1302 O PHE A 84 -4.155 0.404 -2.049 1.00 0.55 O ATOM 1303 CB PHE A 84 -1.764 -1.431 -2.691 1.00 0.55 C ATOM 1304 CG PHE A 84 -0.311 -1.819 -2.788 1.00 0.57 C ATOM 1305 CD1 PHE A 84 0.299 -1.931 -4.051 1.00 2.23 C ATOM 1306 CD2 PHE A 84 0.440 -2.031 -1.618 1.00 2.01 C ATOM 1307 CE1 PHE A 84 1.649 -2.294 -4.145 1.00 2.20 C ATOM 1308 CE2 PHE A 84 1.796 -2.374 -1.718 1.00 2.10 C ATOM 1309 CZ PHE A 84 2.394 -2.527 -2.977 1.00 0.78 C ATOM 0 H PHE A 84 -1.236 0.399 -1.099 1.00 0.53 H new ATOM 0 HA PHE A 84 -1.547 0.271 -3.974 1.00 0.52 H new ATOM 0 HB2 PHE A 84 -2.124 -1.642 -1.684 1.00 0.55 H new ATOM 0 HB3 PHE A 84 -2.346 -2.050 -3.374 1.00 0.55 H new ATOM 0 HD1 PHE A 84 -0.273 -1.737 -4.947 1.00 2.23 H new ATOM 0 HD2 PHE A 84 -0.025 -1.930 -0.648 1.00 2.01 H new ATOM 0 HE1 PHE A 84 2.116 -2.394 -5.114 1.00 2.20 H new ATOM 0 HE2 PHE A 84 2.382 -2.521 -0.822 1.00 2.10 H new ATOM 0 HZ PHE A 84 3.430 -2.825 -3.049 1.00 0.78 H new ATOM 1319 N MET A 85 -4.076 0.380 -4.296 1.00 0.51 N ATOM 1320 CA MET A 85 -5.511 0.196 -4.536 1.00 0.51 C ATOM 1321 C MET A 85 -5.760 -1.294 -4.745 1.00 0.41 C ATOM 1322 O MET A 85 -5.079 -1.910 -5.560 1.00 0.44 O ATOM 1323 CB MET A 85 -5.980 0.966 -5.771 1.00 0.65 C ATOM 1324 CG MET A 85 -7.344 1.629 -5.535 1.00 0.79 C ATOM 1325 SD MET A 85 -7.298 3.017 -4.359 1.00 0.68 S ATOM 1326 CE MET A 85 -9.046 3.143 -3.898 1.00 0.68 C ATOM 0 H MET A 85 -3.545 0.568 -5.146 1.00 0.51 H new ATOM 0 HA MET A 85 -6.068 0.577 -3.680 1.00 0.51 H new ATOM 0 HB2 MET A 85 -5.244 1.727 -6.028 1.00 0.65 H new ATOM 0 HB3 MET A 85 -6.046 0.287 -6.621 1.00 0.65 H new ATOM 0 HG2 MET A 85 -7.733 1.987 -6.489 1.00 0.79 H new ATOM 0 HG3 MET A 85 -8.043 0.878 -5.168 1.00 0.79 H new ATOM 0 HE1 MET A 85 -9.246 4.137 -3.499 1.00 0.68 H new ATOM 0 HE2 MET A 85 -9.667 2.973 -4.777 1.00 0.68 H new ATOM 0 HE3 MET A 85 -9.277 2.394 -3.140 1.00 0.68 H new ATOM 1336 N LEU A 86 -6.729 -1.854 -4.027 1.00 0.39 N ATOM 1337 CA LEU A 86 -7.179 -3.234 -4.184 1.00 0.41 C ATOM 1338 C LEU A 86 -8.569 -3.210 -4.829 1.00 0.45 C ATOM 1339 O LEU A 86 -9.478 -2.540 -4.331 1.00 0.51 O ATOM 1340 CB LEU A 86 -7.232 -3.937 -2.812 1.00 0.43 C ATOM 1341 CG LEU A 86 -5.890 -4.394 -2.201 1.00 0.44 C ATOM 1342 CD1 LEU A 86 -4.880 -3.263 -1.951 1.00 0.46 C ATOM 1343 CD2 LEU A 86 -6.185 -5.077 -0.858 1.00 0.50 C ATOM 0 H LEU A 86 -7.236 -1.348 -3.301 1.00 0.39 H new ATOM 0 HA LEU A 86 -6.485 -3.788 -4.816 1.00 0.41 H new ATOM 0 HB2 LEU A 86 -7.713 -3.261 -2.105 1.00 0.43 H new ATOM 0 HB3 LEU A 86 -7.876 -4.811 -2.905 1.00 0.43 H new ATOM 0 HG LEU A 86 -5.431 -5.061 -2.930 1.00 0.44 H new ATOM 0 HD11 LEU A 86 -3.968 -3.678 -1.521 1.00 0.46 H new ATOM 0 HD12 LEU A 86 -4.645 -2.770 -2.894 1.00 0.46 H new ATOM 0 HD13 LEU A 86 -5.310 -2.538 -1.260 1.00 0.46 H new ATOM 0 HD21 LEU A 86 -5.251 -5.409 -0.406 1.00 0.50 H new ATOM 0 HD22 LEU A 86 -6.680 -4.370 -0.191 1.00 0.50 H new ATOM 0 HD23 LEU A 86 -6.835 -5.937 -1.022 1.00 0.50 H new ATOM 1355 N LEU A 87 -8.740 -3.955 -5.922 1.00 0.47 N ATOM 1356 CA LEU A 87 -10.017 -4.095 -6.617 1.00 0.53 C ATOM 1357 C LEU A 87 -10.334 -5.572 -6.869 1.00 0.52 C ATOM 1358 O LEU A 87 -9.446 -6.376 -7.164 1.00 0.55 O ATOM 1359 CB LEU A 87 -10.036 -3.302 -7.942 1.00 0.75 C ATOM 1360 CG LEU A 87 -9.701 -1.794 -7.845 1.00 0.88 C ATOM 1361 CD1 LEU A 87 -8.195 -1.506 -8.006 1.00 1.49 C ATOM 1362 CD2 LEU A 87 -10.451 -1.026 -8.943 1.00 1.64 C ATOM 0 H LEU A 87 -7.983 -4.485 -6.354 1.00 0.47 H new ATOM 0 HA LEU A 87 -10.790 -3.676 -5.972 1.00 0.53 H new ATOM 0 HB2 LEU A 87 -9.328 -3.766 -8.628 1.00 0.75 H new ATOM 0 HB3 LEU A 87 -11.025 -3.404 -8.388 1.00 0.75 H new ATOM 0 HG LEU A 87 -10.008 -1.470 -6.850 1.00 0.88 H new ATOM 0 HD11 LEU A 87 -8.020 -0.433 -7.929 1.00 1.49 H new ATOM 0 HD12 LEU A 87 -7.640 -2.021 -7.222 1.00 1.49 H new ATOM 0 HD13 LEU A 87 -7.859 -1.860 -8.981 1.00 1.49 H new ATOM 0 HD21 LEU A 87 -10.213 0.035 -8.872 1.00 1.64 H new ATOM 0 HD22 LEU A 87 -10.149 -1.401 -9.921 1.00 1.64 H new ATOM 0 HD23 LEU A 87 -11.525 -1.166 -8.817 1.00 1.64 H new ATOM 1374 N GLY A 88 -11.620 -5.919 -6.766 1.00 0.55 N ATOM 1375 CA GLY A 88 -12.117 -7.271 -7.052 1.00 0.60 C ATOM 1376 C GLY A 88 -11.712 -8.311 -6.004 1.00 0.59 C ATOM 1377 O GLY A 88 -11.242 -9.385 -6.373 1.00 0.82 O ATOM 0 H GLY A 88 -12.351 -5.267 -6.480 1.00 0.55 H new ATOM 0 HA2 GLY A 88 -13.204 -7.242 -7.120 1.00 0.60 H new ATOM 0 HA3 GLY A 88 -11.745 -7.587 -8.027 1.00 0.60 H new ATOM 1381 N LEU A 89 -11.846 -8.002 -4.707 1.00 0.52 N ATOM 1382 CA LEU A 89 -11.591 -8.960 -3.627 1.00 0.62 C ATOM 1383 C LEU A 89 -12.370 -10.272 -3.731 1.00 0.74 C ATOM 1384 O LEU A 89 -13.492 -10.357 -4.221 1.00 0.95 O ATOM 1385 CB LEU A 89 -11.673 -8.332 -2.224 1.00 0.75 C ATOM 1386 CG LEU A 89 -12.881 -7.434 -1.882 1.00 0.84 C ATOM 1387 CD1 LEU A 89 -14.208 -8.205 -1.850 1.00 1.38 C ATOM 1388 CD2 LEU A 89 -12.630 -6.779 -0.517 1.00 1.23 C ATOM 0 H LEU A 89 -12.134 -7.080 -4.379 1.00 0.52 H new ATOM 0 HA LEU A 89 -10.550 -9.248 -3.778 1.00 0.62 H new ATOM 0 HB2 LEU A 89 -11.649 -9.144 -1.497 1.00 0.75 H new ATOM 0 HB3 LEU A 89 -10.769 -7.742 -2.073 1.00 0.75 H new ATOM 0 HG LEU A 89 -12.974 -6.684 -2.668 1.00 0.84 H new ATOM 0 HD11 LEU A 89 -15.020 -7.521 -1.604 1.00 1.38 H new ATOM 0 HD12 LEU A 89 -14.393 -8.652 -2.827 1.00 1.38 H new ATOM 0 HD13 LEU A 89 -14.154 -8.990 -1.096 1.00 1.38 H new ATOM 0 HD21 LEU A 89 -13.475 -6.140 -0.259 1.00 1.23 H new ATOM 0 HD22 LEU A 89 -12.515 -7.553 0.242 1.00 1.23 H new ATOM 0 HD23 LEU A 89 -11.722 -6.178 -0.563 1.00 1.23 H new ATOM 1400 N LYS A 90 -11.711 -11.316 -3.238 1.00 0.88 N ATOM 1401 CA LYS A 90 -12.136 -12.715 -3.414 1.00 1.08 C ATOM 1402 C LYS A 90 -12.786 -13.319 -2.148 1.00 1.26 C ATOM 1403 O LYS A 90 -13.311 -14.438 -2.173 1.00 1.45 O ATOM 1404 CB LYS A 90 -10.940 -13.529 -3.941 1.00 1.16 C ATOM 1405 CG LYS A 90 -10.262 -12.942 -5.204 1.00 1.10 C ATOM 1406 CD LYS A 90 -11.203 -12.803 -6.411 1.00 1.59 C ATOM 1407 CE LYS A 90 -10.564 -12.182 -7.666 1.00 1.58 C ATOM 1408 NZ LYS A 90 -9.404 -12.933 -8.197 1.00 2.02 N ATOM 0 H LYS A 90 -10.853 -11.220 -2.695 1.00 0.88 H new ATOM 0 HA LYS A 90 -12.936 -12.753 -4.153 1.00 1.08 H new ATOM 0 HB2 LYS A 90 -10.195 -13.608 -3.149 1.00 1.16 H new ATOM 0 HB3 LYS A 90 -11.277 -14.541 -4.164 1.00 1.16 H new ATOM 0 HG2 LYS A 90 -9.852 -11.962 -4.961 1.00 1.10 H new ATOM 0 HG3 LYS A 90 -9.422 -13.579 -5.482 1.00 1.10 H new ATOM 0 HD2 LYS A 90 -11.588 -13.790 -6.668 1.00 1.59 H new ATOM 0 HD3 LYS A 90 -12.058 -12.194 -6.118 1.00 1.59 H new ATOM 0 HE2 LYS A 90 -11.322 -12.108 -8.446 1.00 1.58 H new ATOM 0 HE3 LYS A 90 -10.247 -11.166 -7.432 1.00 1.58 H new ATOM 0 HZ1 LYS A 90 -9.504 -13.045 -9.226 1.00 2.02 H new ATOM 0 HZ2 LYS A 90 -8.528 -12.412 -7.989 1.00 2.02 H new ATOM 0 HZ3 LYS A 90 -9.363 -13.871 -7.749 1.00 2.02 H new ATOM 1422 N ARG A 91 -12.777 -12.567 -1.037 1.00 1.28 N ATOM 1423 CA ARG A 91 -13.472 -12.835 0.237 1.00 1.46 C ATOM 1424 C ARG A 91 -13.861 -11.494 0.902 1.00 1.30 C ATOM 1425 O ARG A 91 -13.085 -10.549 0.775 1.00 1.28 O ATOM 1426 CB ARG A 91 -12.572 -13.620 1.216 1.00 1.89 C ATOM 1427 CG ARG A 91 -12.161 -15.036 0.775 1.00 2.85 C ATOM 1428 CD ARG A 91 -13.357 -15.997 0.696 1.00 4.26 C ATOM 1429 NE ARG A 91 -12.944 -17.371 0.345 1.00 5.30 N ATOM 1430 CZ ARG A 91 -13.052 -17.959 -0.843 1.00 6.84 C ATOM 1431 NH1 ARG A 91 -13.465 -17.309 -1.912 1.00 7.74 N ATOM 1432 NH2 ARG A 91 -12.733 -19.230 -0.974 1.00 7.94 N ATOM 0 H ARG A 91 -12.249 -11.695 -1.000 1.00 1.28 H new ATOM 0 HA ARG A 91 -14.357 -13.431 0.016 1.00 1.46 H new ATOM 0 HB2 ARG A 91 -11.666 -13.039 1.390 1.00 1.89 H new ATOM 0 HB3 ARG A 91 -13.090 -13.696 2.172 1.00 1.89 H new ATOM 0 HG2 ARG A 91 -11.676 -14.983 -0.200 1.00 2.85 H new ATOM 0 HG3 ARG A 91 -11.426 -15.432 1.475 1.00 2.85 H new ATOM 0 HD2 ARG A 91 -13.876 -16.009 1.654 1.00 4.26 H new ATOM 0 HD3 ARG A 91 -14.067 -15.632 -0.046 1.00 4.26 H new ATOM 0 HE ARG A 91 -12.532 -17.928 1.093 1.00 5.30 H new ATOM 0 HH11 ARG A 91 -13.714 -16.322 -1.844 1.00 7.74 H new ATOM 0 HH12 ARG A 91 -13.536 -17.793 -2.807 1.00 7.74 H new ATOM 0 HH21 ARG A 91 -12.405 -19.759 -0.166 1.00 7.94 H new ATOM 0 HH22 ARG A 91 -12.814 -19.685 -1.883 1.00 7.94 H new ATOM 1446 N PRO A 92 -15.020 -11.404 1.590 1.00 1.39 N ATOM 1447 CA PRO A 92 -15.448 -10.212 2.322 1.00 1.45 C ATOM 1448 C PRO A 92 -14.783 -10.138 3.704 1.00 1.65 C ATOM 1449 O PRO A 92 -14.465 -11.163 4.311 1.00 2.05 O ATOM 1450 CB PRO A 92 -16.969 -10.336 2.431 1.00 1.66 C ATOM 1451 CG PRO A 92 -17.177 -11.845 2.532 1.00 1.82 C ATOM 1452 CD PRO A 92 -16.071 -12.415 1.641 1.00 1.61 C ATOM 0 HA PRO A 92 -15.157 -9.294 1.812 1.00 1.45 H new ATOM 0 HB2 PRO A 92 -17.356 -9.815 3.306 1.00 1.66 H new ATOM 0 HB3 PRO A 92 -17.473 -9.915 1.561 1.00 1.66 H new ATOM 0 HG2 PRO A 92 -17.086 -12.195 3.560 1.00 1.82 H new ATOM 0 HG3 PRO A 92 -18.167 -12.139 2.182 1.00 1.82 H new ATOM 0 HD2 PRO A 92 -15.689 -13.352 2.047 1.00 1.61 H new ATOM 0 HD3 PRO A 92 -16.450 -12.632 0.642 1.00 1.61 H new ATOM 1460 N LEU A 93 -14.621 -8.914 4.214 1.00 1.64 N ATOM 1461 CA LEU A 93 -13.808 -8.524 5.347 1.00 1.77 C ATOM 1462 C LEU A 93 -14.682 -7.886 6.428 1.00 1.92 C ATOM 1463 O LEU A 93 -15.639 -7.162 6.167 1.00 2.45 O ATOM 1464 CB LEU A 93 -12.683 -7.564 4.891 1.00 1.84 C ATOM 1465 CG LEU A 93 -13.084 -6.151 4.388 1.00 2.26 C ATOM 1466 CD1 LEU A 93 -11.811 -5.330 4.126 1.00 2.34 C ATOM 1467 CD2 LEU A 93 -13.927 -6.163 3.101 1.00 3.62 C ATOM 0 H LEU A 93 -15.099 -8.111 3.804 1.00 1.64 H new ATOM 0 HA LEU A 93 -13.339 -9.410 5.774 1.00 1.77 H new ATOM 0 HB2 LEU A 93 -11.995 -7.437 5.726 1.00 1.84 H new ATOM 0 HB3 LEU A 93 -12.128 -8.057 4.093 1.00 1.84 H new ATOM 0 HG LEU A 93 -13.701 -5.711 5.171 1.00 2.26 H new ATOM 0 HD11 LEU A 93 -12.085 -4.336 3.772 1.00 2.34 H new ATOM 0 HD12 LEU A 93 -11.239 -5.241 5.049 1.00 2.34 H new ATOM 0 HD13 LEU A 93 -11.205 -5.830 3.370 1.00 2.34 H new ATOM 0 HD21 LEU A 93 -14.167 -5.139 2.814 1.00 3.62 H new ATOM 0 HD22 LEU A 93 -13.363 -6.642 2.301 1.00 3.62 H new ATOM 0 HD23 LEU A 93 -14.850 -6.717 3.276 1.00 3.62 H new ATOM 1479 N LYS A 94 -14.334 -8.194 7.662 1.00 1.67 N ATOM 1480 CA LYS A 94 -14.697 -7.436 8.870 1.00 1.57 C ATOM 1481 C LYS A 94 -13.556 -6.471 9.257 1.00 1.14 C ATOM 1482 O LYS A 94 -12.627 -6.244 8.482 1.00 1.51 O ATOM 1483 CB LYS A 94 -15.075 -8.371 10.053 1.00 1.94 C ATOM 1484 CG LYS A 94 -15.707 -9.742 9.771 1.00 2.33 C ATOM 1485 CD LYS A 94 -16.829 -9.782 8.722 1.00 2.60 C ATOM 1486 CE LYS A 94 -16.745 -11.082 7.900 1.00 3.53 C ATOM 1487 NZ LYS A 94 -15.492 -11.173 7.102 1.00 3.94 N ATOM 0 H LYS A 94 -13.765 -9.014 7.872 1.00 1.67 H new ATOM 0 HA LYS A 94 -15.586 -6.848 8.642 1.00 1.57 H new ATOM 0 HB2 LYS A 94 -14.168 -8.544 10.633 1.00 1.94 H new ATOM 0 HB3 LYS A 94 -15.764 -7.821 10.695 1.00 1.94 H new ATOM 0 HG2 LYS A 94 -14.917 -10.421 9.450 1.00 2.33 H new ATOM 0 HG3 LYS A 94 -16.103 -10.133 10.708 1.00 2.33 H new ATOM 0 HD2 LYS A 94 -17.799 -9.717 9.214 1.00 2.60 H new ATOM 0 HD3 LYS A 94 -16.749 -8.919 8.060 1.00 2.60 H new ATOM 0 HE2 LYS A 94 -16.806 -11.938 8.572 1.00 3.53 H new ATOM 0 HE3 LYS A 94 -17.603 -11.141 7.231 1.00 3.53 H new ATOM 0 HZ1 LYS A 94 -15.461 -12.087 6.607 1.00 3.94 H new ATOM 0 HZ2 LYS A 94 -15.467 -10.401 6.405 1.00 3.94 H new ATOM 0 HZ3 LYS A 94 -14.671 -11.094 7.735 1.00 3.94 H new ATOM 1501 N ALA A 95 -13.620 -5.943 10.476 1.00 1.34 N ATOM 1502 CA ALA A 95 -12.429 -5.590 11.249 1.00 1.36 C ATOM 1503 C ALA A 95 -12.174 -6.717 12.268 1.00 1.34 C ATOM 1504 O ALA A 95 -13.131 -7.246 12.831 1.00 1.36 O ATOM 1505 CB ALA A 95 -12.631 -4.228 11.921 1.00 1.52 C ATOM 0 H ALA A 95 -14.498 -5.747 10.957 1.00 1.34 H new ATOM 0 HA ALA A 95 -11.553 -5.496 10.607 1.00 1.36 H new ATOM 0 HB1 ALA A 95 -11.741 -3.970 12.495 1.00 1.52 H new ATOM 0 HB2 ALA A 95 -12.804 -3.468 11.159 1.00 1.52 H new ATOM 0 HB3 ALA A 95 -13.492 -4.275 12.588 1.00 1.52 H new ATOM 1511 N GLY A 96 -10.908 -7.097 12.461 1.00 1.42 N ATOM 1512 CA GLY A 96 -10.473 -8.269 13.237 1.00 1.51 C ATOM 1513 C GLY A 96 -9.938 -9.447 12.411 1.00 1.49 C ATOM 1514 O GLY A 96 -9.597 -10.473 12.994 1.00 1.82 O ATOM 0 H GLY A 96 -10.124 -6.578 12.066 1.00 1.42 H new ATOM 0 HA2 GLY A 96 -9.696 -7.954 13.934 1.00 1.51 H new ATOM 0 HA3 GLY A 96 -11.314 -8.620 13.835 1.00 1.51 H new ATOM 1518 N GLU A 97 -9.819 -9.295 11.088 1.00 1.29 N ATOM 1519 CA GLU A 97 -9.171 -10.249 10.187 1.00 1.20 C ATOM 1520 C GLU A 97 -7.639 -10.066 10.214 1.00 1.17 C ATOM 1521 O GLU A 97 -7.119 -9.066 10.719 1.00 1.12 O ATOM 1522 CB GLU A 97 -9.654 -10.084 8.724 1.00 1.13 C ATOM 1523 CG GLU A 97 -11.022 -9.440 8.452 1.00 1.40 C ATOM 1524 CD GLU A 97 -12.204 -10.355 8.746 1.00 1.24 C ATOM 1525 OE1 GLU A 97 -12.428 -10.697 9.920 1.00 2.85 O ATOM 1526 OE2 GLU A 97 -12.971 -10.636 7.795 1.00 1.57 O ATOM 0 H GLU A 97 -10.184 -8.477 10.600 1.00 1.29 H new ATOM 0 HA GLU A 97 -9.441 -11.244 10.540 1.00 1.20 H new ATOM 0 HB2 GLU A 97 -8.904 -9.495 8.196 1.00 1.13 H new ATOM 0 HB3 GLU A 97 -9.661 -11.074 8.268 1.00 1.13 H new ATOM 0 HG2 GLU A 97 -11.114 -8.538 9.056 1.00 1.40 H new ATOM 0 HG3 GLU A 97 -11.066 -9.130 7.408 1.00 1.40 H new ATOM 1533 N GLU A 98 -6.929 -10.950 9.522 1.00 1.22 N ATOM 1534 CA GLU A 98 -5.596 -10.750 8.994 1.00 1.00 C ATOM 1535 C GLU A 98 -5.610 -11.317 7.570 1.00 0.98 C ATOM 1536 O GLU A 98 -6.416 -12.185 7.238 1.00 1.15 O ATOM 1537 CB GLU A 98 -4.493 -11.331 9.903 1.00 1.27 C ATOM 1538 CG GLU A 98 -4.389 -12.866 9.959 1.00 2.38 C ATOM 1539 CD GLU A 98 -3.218 -13.350 10.831 1.00 3.09 C ATOM 1540 OE1 GLU A 98 -2.209 -12.617 10.920 1.00 4.02 O ATOM 1541 OE2 GLU A 98 -3.346 -14.456 11.398 1.00 3.71 O ATOM 0 H GLU A 98 -7.295 -11.877 9.305 1.00 1.22 H new ATOM 0 HA GLU A 98 -5.339 -9.691 8.964 1.00 1.00 H new ATOM 0 HB2 GLU A 98 -3.533 -10.936 9.571 1.00 1.27 H new ATOM 0 HB3 GLU A 98 -4.656 -10.963 10.916 1.00 1.27 H new ATOM 0 HG2 GLU A 98 -5.321 -13.275 10.349 1.00 2.38 H new ATOM 0 HG3 GLU A 98 -4.269 -13.255 8.948 1.00 2.38 H new ATOM 1548 N VAL A 99 -4.798 -10.721 6.712 1.00 0.90 N ATOM 1549 CA VAL A 99 -4.821 -10.853 5.245 1.00 0.85 C ATOM 1550 C VAL A 99 -3.399 -10.798 4.688 1.00 0.87 C ATOM 1551 O VAL A 99 -2.602 -9.935 5.056 1.00 0.96 O ATOM 1552 CB VAL A 99 -5.697 -9.749 4.594 1.00 0.90 C ATOM 1553 CG1 VAL A 99 -5.586 -9.730 3.057 1.00 1.14 C ATOM 1554 CG2 VAL A 99 -7.184 -9.918 4.955 1.00 0.97 C ATOM 0 H VAL A 99 -4.059 -10.094 7.028 1.00 0.90 H new ATOM 0 HA VAL A 99 -5.262 -11.819 5.000 1.00 0.85 H new ATOM 0 HB VAL A 99 -5.314 -8.810 4.993 1.00 0.90 H new ATOM 0 HG11 VAL A 99 -6.219 -8.939 2.656 1.00 1.14 H new ATOM 0 HG12 VAL A 99 -4.551 -9.547 2.769 1.00 1.14 H new ATOM 0 HG13 VAL A 99 -5.909 -10.691 2.657 1.00 1.14 H new ATOM 0 HG21 VAL A 99 -7.766 -9.127 4.481 1.00 0.97 H new ATOM 0 HG22 VAL A 99 -7.536 -10.888 4.603 1.00 0.97 H new ATOM 0 HG23 VAL A 99 -7.305 -9.859 6.037 1.00 0.97 H new ATOM 1564 N GLU A 100 -3.102 -11.719 3.772 1.00 0.94 N ATOM 1565 CA GLU A 100 -1.802 -11.859 3.120 1.00 1.11 C ATOM 1566 C GLU A 100 -1.602 -10.828 1.992 1.00 0.91 C ATOM 1567 O GLU A 100 -2.472 -10.655 1.132 1.00 0.87 O ATOM 1568 CB GLU A 100 -1.689 -13.293 2.577 1.00 1.49 C ATOM 1569 CG GLU A 100 -0.322 -13.588 1.956 1.00 2.19 C ATOM 1570 CD GLU A 100 -0.290 -14.972 1.320 1.00 2.24 C ATOM 1571 OE1 GLU A 100 -0.549 -15.095 0.103 1.00 3.39 O ATOM 1572 OE2 GLU A 100 0.148 -15.933 1.988 1.00 2.25 O ATOM 0 H GLU A 100 -3.782 -12.410 3.454 1.00 0.94 H new ATOM 0 HA GLU A 100 -1.017 -11.667 3.851 1.00 1.11 H new ATOM 0 HB2 GLU A 100 -1.875 -13.999 3.387 1.00 1.49 H new ATOM 0 HB3 GLU A 100 -2.465 -13.455 1.829 1.00 1.49 H new ATOM 0 HG2 GLU A 100 -0.092 -12.834 1.203 1.00 2.19 H new ATOM 0 HG3 GLU A 100 0.450 -13.520 2.722 1.00 2.19 H new ATOM 1579 N LEU A 101 -0.415 -10.211 1.962 1.00 0.87 N ATOM 1580 CA LEU A 101 0.128 -9.482 0.813 1.00 0.73 C ATOM 1581 C LEU A 101 1.498 -10.044 0.396 1.00 0.75 C ATOM 1582 O LEU A 101 2.333 -10.437 1.218 1.00 0.96 O ATOM 1583 CB LEU A 101 0.248 -7.968 1.102 1.00 0.74 C ATOM 1584 CG LEU A 101 -0.881 -7.111 0.492 1.00 0.94 C ATOM 1585 CD1 LEU A 101 -2.175 -7.166 1.312 1.00 1.71 C ATOM 1586 CD2 LEU A 101 -0.431 -5.647 0.386 1.00 1.44 C ATOM 0 H LEU A 101 0.214 -10.206 2.765 1.00 0.87 H new ATOM 0 HA LEU A 101 -0.574 -9.619 -0.010 1.00 0.73 H new ATOM 0 HB2 LEU A 101 0.260 -7.816 2.181 1.00 0.74 H new ATOM 0 HB3 LEU A 101 1.205 -7.612 0.720 1.00 0.74 H new ATOM 0 HG LEU A 101 -1.088 -7.526 -0.494 1.00 0.94 H new ATOM 0 HD11 LEU A 101 -2.934 -6.545 0.836 1.00 1.71 H new ATOM 0 HD12 LEU A 101 -2.529 -8.196 1.364 1.00 1.71 H new ATOM 0 HD13 LEU A 101 -1.983 -6.797 2.319 1.00 1.71 H new ATOM 0 HD21 LEU A 101 -1.234 -5.050 -0.046 1.00 1.44 H new ATOM 0 HD22 LEU A 101 -0.190 -5.268 1.379 1.00 1.44 H new ATOM 0 HD23 LEU A 101 0.451 -5.583 -0.251 1.00 1.44 H new ATOM 1598 N ASP A 102 1.716 -10.016 -0.915 1.00 0.64 N ATOM 1599 CA ASP A 102 2.983 -10.295 -1.595 1.00 0.67 C ATOM 1600 C ASP A 102 3.533 -8.982 -2.160 1.00 0.65 C ATOM 1601 O ASP A 102 2.782 -8.224 -2.768 1.00 0.77 O ATOM 1602 CB ASP A 102 2.713 -11.296 -2.737 1.00 0.78 C ATOM 1603 CG ASP A 102 3.784 -12.348 -2.982 1.00 1.78 C ATOM 1604 OD1 ASP A 102 4.776 -12.405 -2.234 1.00 2.58 O ATOM 1605 OD2 ASP A 102 3.547 -13.153 -3.919 1.00 2.81 O ATOM 0 H ASP A 102 0.971 -9.785 -1.573 1.00 0.64 H new ATOM 0 HA ASP A 102 3.711 -10.721 -0.905 1.00 0.67 H new ATOM 0 HB2 ASP A 102 1.773 -11.807 -2.528 1.00 0.78 H new ATOM 0 HB3 ASP A 102 2.571 -10.732 -3.659 1.00 0.78 H new ATOM 1610 N LEU A 103 4.818 -8.694 -1.976 1.00 0.61 N ATOM 1611 CA LEU A 103 5.453 -7.460 -2.443 1.00 0.54 C ATOM 1612 C LEU A 103 6.381 -7.771 -3.619 1.00 0.53 C ATOM 1613 O LEU A 103 7.212 -8.671 -3.519 1.00 0.62 O ATOM 1614 CB LEU A 103 6.253 -6.801 -1.306 1.00 0.57 C ATOM 1615 CG LEU A 103 5.422 -6.222 -0.142 1.00 0.66 C ATOM 1616 CD1 LEU A 103 5.007 -7.270 0.906 1.00 0.79 C ATOM 1617 CD2 LEU A 103 6.267 -5.146 0.555 1.00 0.80 C ATOM 0 H LEU A 103 5.460 -9.320 -1.490 1.00 0.61 H new ATOM 0 HA LEU A 103 4.676 -6.768 -2.767 1.00 0.54 H new ATOM 0 HB2 LEU A 103 6.945 -7.539 -0.900 1.00 0.57 H new ATOM 0 HB3 LEU A 103 6.856 -5.998 -1.730 1.00 0.57 H new ATOM 0 HG LEU A 103 4.502 -5.823 -0.569 1.00 0.66 H new ATOM 0 HD11 LEU A 103 4.426 -6.788 1.692 1.00 0.79 H new ATOM 0 HD12 LEU A 103 4.402 -8.041 0.429 1.00 0.79 H new ATOM 0 HD13 LEU A 103 5.898 -7.724 1.339 1.00 0.79 H new ATOM 0 HD21 LEU A 103 5.702 -4.720 1.384 1.00 0.80 H new ATOM 0 HD22 LEU A 103 7.185 -5.594 0.935 1.00 0.80 H new ATOM 0 HD23 LEU A 103 6.515 -4.360 -0.158 1.00 0.80 H new ATOM 1629 N LEU A 104 6.276 -7.005 -4.713 1.00 0.47 N ATOM 1630 CA LEU A 104 7.083 -7.182 -5.923 1.00 0.49 C ATOM 1631 C LEU A 104 8.133 -6.066 -6.017 1.00 0.47 C ATOM 1632 O LEU A 104 7.806 -4.887 -6.189 1.00 0.45 O ATOM 1633 CB LEU A 104 6.153 -7.198 -7.152 1.00 0.54 C ATOM 1634 CG LEU A 104 5.053 -8.284 -7.145 1.00 0.61 C ATOM 1635 CD1 LEU A 104 4.234 -8.221 -8.439 1.00 0.65 C ATOM 1636 CD2 LEU A 104 5.620 -9.702 -6.983 1.00 0.70 C ATOM 0 H LEU A 104 5.615 -6.231 -4.781 1.00 0.47 H new ATOM 0 HA LEU A 104 7.616 -8.132 -5.886 1.00 0.49 H new ATOM 0 HB2 LEU A 104 5.674 -6.222 -7.235 1.00 0.54 H new ATOM 0 HB3 LEU A 104 6.764 -7.331 -8.045 1.00 0.54 H new ATOM 0 HG LEU A 104 4.419 -8.076 -6.283 1.00 0.61 H new ATOM 0 HD11 LEU A 104 3.463 -8.992 -8.420 1.00 0.65 H new ATOM 0 HD12 LEU A 104 3.765 -7.241 -8.525 1.00 0.65 H new ATOM 0 HD13 LEU A 104 4.890 -8.386 -9.293 1.00 0.65 H new ATOM 0 HD21 LEU A 104 4.803 -10.423 -6.985 1.00 0.70 H new ATOM 0 HD22 LEU A 104 6.298 -9.919 -7.809 1.00 0.70 H new ATOM 0 HD23 LEU A 104 6.163 -9.771 -6.040 1.00 0.70 H new ATOM 1648 N PHE A 105 9.410 -6.440 -5.925 1.00 0.54 N ATOM 1649 CA PHE A 105 10.565 -5.548 -5.898 1.00 0.58 C ATOM 1650 C PHE A 105 11.434 -5.712 -7.158 1.00 0.70 C ATOM 1651 O PHE A 105 11.952 -6.796 -7.420 1.00 1.10 O ATOM 1652 CB PHE A 105 11.396 -5.852 -4.649 1.00 0.63 C ATOM 1653 CG PHE A 105 10.733 -5.458 -3.341 1.00 0.62 C ATOM 1654 CD1 PHE A 105 10.691 -4.106 -2.949 1.00 2.01 C ATOM 1655 CD2 PHE A 105 10.186 -6.445 -2.498 1.00 1.68 C ATOM 1656 CE1 PHE A 105 10.137 -3.745 -1.706 1.00 2.03 C ATOM 1657 CE2 PHE A 105 9.632 -6.081 -1.261 1.00 1.70 C ATOM 1658 CZ PHE A 105 9.610 -4.734 -0.860 1.00 0.73 C ATOM 0 H PHE A 105 9.678 -7.422 -5.864 1.00 0.54 H new ATOM 0 HA PHE A 105 10.210 -4.518 -5.874 1.00 0.58 H new ATOM 0 HB2 PHE A 105 11.614 -6.920 -4.624 1.00 0.63 H new ATOM 0 HB3 PHE A 105 12.351 -5.333 -4.728 1.00 0.63 H new ATOM 0 HD1 PHE A 105 11.085 -3.343 -3.604 1.00 2.01 H new ATOM 0 HD2 PHE A 105 10.193 -7.481 -2.803 1.00 1.68 H new ATOM 0 HE1 PHE A 105 10.117 -2.708 -1.404 1.00 2.03 H new ATOM 0 HE2 PHE A 105 9.220 -6.841 -0.613 1.00 1.70 H new ATOM 0 HZ PHE A 105 9.189 -4.460 0.096 1.00 0.73 H new ATOM 1668 N ALA A 106 11.613 -4.619 -7.911 1.00 0.64 N ATOM 1669 CA ALA A 106 12.488 -4.498 -9.087 1.00 0.77 C ATOM 1670 C ALA A 106 12.254 -5.575 -10.174 1.00 1.62 C ATOM 1671 O ALA A 106 13.163 -5.908 -10.933 1.00 2.61 O ATOM 1672 CB ALA A 106 13.947 -4.428 -8.607 1.00 1.46 C ATOM 0 H ALA A 106 11.125 -3.747 -7.706 1.00 0.64 H new ATOM 0 HA ALA A 106 12.232 -3.573 -9.604 1.00 0.77 H new ATOM 0 HB1 ALA A 106 14.609 -4.338 -9.468 1.00 1.46 H new ATOM 0 HB2 ALA A 106 14.075 -3.562 -7.958 1.00 1.46 H new ATOM 0 HB3 ALA A 106 14.192 -5.335 -8.054 1.00 1.46 H new ATOM 1678 N GLY A 107 11.063 -6.184 -10.196 1.00 2.45 N ATOM 1679 CA GLY A 107 10.733 -7.364 -11.003 1.00 3.60 C ATOM 1680 C GLY A 107 11.300 -8.659 -10.414 1.00 2.91 C ATOM 1681 O GLY A 107 10.543 -9.576 -10.119 1.00 4.22 O ATOM 0 H GLY A 107 10.277 -5.858 -9.634 1.00 2.45 H new ATOM 0 HA2 GLY A 107 9.650 -7.451 -11.086 1.00 3.60 H new ATOM 0 HA3 GLY A 107 11.120 -7.229 -12.013 1.00 3.60 H new ATOM 1685 N GLY A 108 12.625 -8.731 -10.240 1.00 1.49 N ATOM 1686 CA GLY A 108 13.363 -9.969 -9.935 1.00 1.71 C ATOM 1687 C GLY A 108 13.333 -10.452 -8.479 1.00 1.60 C ATOM 1688 O GLY A 108 13.962 -11.465 -8.178 1.00 2.13 O ATOM 0 H GLY A 108 13.230 -7.913 -10.308 1.00 1.49 H new ATOM 0 HA2 GLY A 108 12.966 -10.765 -10.565 1.00 1.71 H new ATOM 0 HA3 GLY A 108 14.404 -9.824 -10.223 1.00 1.71 H new ATOM 1692 N LYS A 109 12.644 -9.760 -7.563 1.00 1.09 N ATOM 1693 CA LYS A 109 12.443 -10.201 -6.174 1.00 0.96 C ATOM 1694 C LYS A 109 10.969 -10.114 -5.740 1.00 0.91 C ATOM 1695 O LYS A 109 10.297 -9.124 -6.006 1.00 0.91 O ATOM 1696 CB LYS A 109 13.314 -9.349 -5.230 1.00 0.85 C ATOM 1697 CG LYS A 109 14.776 -9.813 -5.222 1.00 1.21 C ATOM 1698 CD LYS A 109 15.662 -8.806 -4.476 1.00 1.57 C ATOM 1699 CE LYS A 109 17.118 -9.295 -4.455 1.00 2.52 C ATOM 1700 NZ LYS A 109 18.021 -8.327 -3.782 1.00 3.71 N ATOM 0 H LYS A 109 12.203 -8.863 -7.768 1.00 1.09 H new ATOM 0 HA LYS A 109 12.738 -11.249 -6.117 1.00 0.96 H new ATOM 0 HB2 LYS A 109 13.267 -8.304 -5.537 1.00 0.85 H new ATOM 0 HB3 LYS A 109 12.911 -9.402 -4.219 1.00 0.85 H new ATOM 0 HG2 LYS A 109 14.849 -10.791 -4.747 1.00 1.21 H new ATOM 0 HG3 LYS A 109 15.131 -9.929 -6.246 1.00 1.21 H new ATOM 0 HD2 LYS A 109 15.605 -7.831 -4.961 1.00 1.57 H new ATOM 0 HD3 LYS A 109 15.299 -8.677 -3.456 1.00 1.57 H new ATOM 0 HE2 LYS A 109 17.170 -10.256 -3.943 1.00 2.52 H new ATOM 0 HE3 LYS A 109 17.460 -9.459 -5.477 1.00 2.52 H new ATOM 0 HZ1 LYS A 109 18.993 -8.696 -3.790 1.00 3.71 H new ATOM 0 HZ2 LYS A 109 17.992 -7.417 -4.285 1.00 3.71 H new ATOM 0 HZ3 LYS A 109 17.711 -8.189 -2.799 1.00 3.71 H new ATOM 1714 N VAL A 110 10.525 -11.119 -4.989 1.00 0.95 N ATOM 1715 CA VAL A 110 9.216 -11.199 -4.322 1.00 0.90 C ATOM 1716 C VAL A 110 9.395 -11.523 -2.832 1.00 0.91 C ATOM 1717 O VAL A 110 10.355 -12.205 -2.468 1.00 1.02 O ATOM 1718 CB VAL A 110 8.304 -12.225 -5.038 1.00 0.99 C ATOM 1719 CG1 VAL A 110 8.883 -13.654 -5.050 1.00 2.25 C ATOM 1720 CG2 VAL A 110 6.879 -12.274 -4.466 1.00 1.57 C ATOM 0 H VAL A 110 11.095 -11.947 -4.816 1.00 0.95 H new ATOM 0 HA VAL A 110 8.722 -10.229 -4.387 1.00 0.90 H new ATOM 0 HB VAL A 110 8.258 -11.858 -6.063 1.00 0.99 H new ATOM 0 HG11 VAL A 110 8.194 -14.322 -5.567 1.00 2.25 H new ATOM 0 HG12 VAL A 110 9.843 -13.653 -5.566 1.00 2.25 H new ATOM 0 HG13 VAL A 110 9.022 -13.999 -4.025 1.00 2.25 H new ATOM 0 HG21 VAL A 110 6.293 -13.013 -5.013 1.00 1.57 H new ATOM 0 HG22 VAL A 110 6.919 -12.550 -3.412 1.00 1.57 H new ATOM 0 HG23 VAL A 110 6.413 -11.294 -4.567 1.00 1.57 H new ATOM 1730 N LEU A 111 8.498 -11.009 -1.981 1.00 0.85 N ATOM 1731 CA LEU A 111 8.518 -11.190 -0.525 1.00 0.90 C ATOM 1732 C LEU A 111 7.091 -11.137 0.036 1.00 0.83 C ATOM 1733 O LEU A 111 6.396 -10.143 -0.155 1.00 0.84 O ATOM 1734 CB LEU A 111 9.408 -10.091 0.087 1.00 0.97 C ATOM 1735 CG LEU A 111 9.490 -10.092 1.627 1.00 1.08 C ATOM 1736 CD1 LEU A 111 10.097 -11.395 2.171 1.00 2.06 C ATOM 1737 CD2 LEU A 111 10.333 -8.895 2.094 1.00 1.67 C ATOM 0 H LEU A 111 7.714 -10.438 -2.297 1.00 0.85 H new ATOM 0 HA LEU A 111 8.928 -12.166 -0.268 1.00 0.90 H new ATOM 0 HB2 LEU A 111 10.416 -10.197 -0.314 1.00 0.97 H new ATOM 0 HB3 LEU A 111 9.035 -9.120 -0.240 1.00 0.97 H new ATOM 0 HG LEU A 111 8.475 -10.014 2.016 1.00 1.08 H new ATOM 0 HD11 LEU A 111 10.136 -11.352 3.259 1.00 2.06 H new ATOM 0 HD12 LEU A 111 9.481 -12.240 1.863 1.00 2.06 H new ATOM 0 HD13 LEU A 111 11.106 -11.519 1.777 1.00 2.06 H new ATOM 0 HD21 LEU A 111 10.392 -8.894 3.182 1.00 1.67 H new ATOM 0 HD22 LEU A 111 11.337 -8.972 1.676 1.00 1.67 H new ATOM 0 HD23 LEU A 111 9.869 -7.969 1.755 1.00 1.67 H new ATOM 1749 N LYS A 112 6.668 -12.176 0.763 1.00 1.12 N ATOM 1750 CA LYS A 112 5.280 -12.328 1.220 1.00 1.32 C ATOM 1751 C LYS A 112 5.147 -12.224 2.747 1.00 1.56 C ATOM 1752 O LYS A 112 5.939 -12.827 3.472 1.00 1.91 O ATOM 1753 CB LYS A 112 4.743 -13.671 0.690 1.00 1.73 C ATOM 1754 CG LYS A 112 3.234 -13.587 0.431 1.00 2.17 C ATOM 1755 CD LYS A 112 2.722 -14.748 -0.425 1.00 2.64 C ATOM 1756 CE LYS A 112 2.686 -16.048 0.386 1.00 1.91 C ATOM 1757 NZ LYS A 112 1.581 -16.928 -0.055 1.00 2.58 N ATOM 0 H LYS A 112 7.280 -12.939 1.053 1.00 1.12 H new ATOM 0 HA LYS A 112 4.683 -11.507 0.823 1.00 1.32 H new ATOM 0 HB2 LYS A 112 5.261 -13.937 -0.231 1.00 1.73 H new ATOM 0 HB3 LYS A 112 4.950 -14.461 1.412 1.00 1.73 H new ATOM 0 HG2 LYS A 112 2.705 -13.581 1.384 1.00 2.17 H new ATOM 0 HG3 LYS A 112 3.006 -12.644 -0.066 1.00 2.17 H new ATOM 0 HD2 LYS A 112 1.724 -14.519 -0.797 1.00 2.64 H new ATOM 0 HD3 LYS A 112 3.365 -14.875 -1.296 1.00 2.64 H new ATOM 0 HE2 LYS A 112 3.636 -16.572 0.279 1.00 1.91 H new ATOM 0 HE3 LYS A 112 2.568 -15.815 1.444 1.00 1.91 H new ATOM 0 HZ1 LYS A 112 0.850 -16.964 0.684 1.00 2.58 H new ATOM 0 HZ2 LYS A 112 1.168 -16.553 -0.933 1.00 2.58 H new ATOM 0 HZ3 LYS A 112 1.947 -17.886 -0.226 1.00 2.58 H new ATOM 1771 N VAL A 113 4.147 -11.486 3.240 1.00 1.49 N ATOM 1772 CA VAL A 113 3.884 -11.247 4.675 1.00 1.75 C ATOM 1773 C VAL A 113 2.365 -11.136 4.893 1.00 1.46 C ATOM 1774 O VAL A 113 1.610 -10.957 3.942 1.00 1.20 O ATOM 1775 CB VAL A 113 4.626 -9.987 5.215 1.00 2.02 C ATOM 1776 CG1 VAL A 113 4.641 -9.912 6.758 1.00 2.70 C ATOM 1777 CG2 VAL A 113 6.100 -9.906 4.768 1.00 3.23 C ATOM 0 H VAL A 113 3.471 -11.019 2.635 1.00 1.49 H new ATOM 0 HA VAL A 113 4.276 -12.092 5.242 1.00 1.75 H new ATOM 0 HB VAL A 113 4.055 -9.161 4.792 1.00 2.02 H new ATOM 0 HG11 VAL A 113 5.171 -9.014 7.073 1.00 2.70 H new ATOM 0 HG12 VAL A 113 3.617 -9.879 7.131 1.00 2.70 H new ATOM 0 HG13 VAL A 113 5.145 -10.791 7.160 1.00 2.70 H new ATOM 0 HG21 VAL A 113 6.556 -9.005 5.179 1.00 3.23 H new ATOM 0 HG22 VAL A 113 6.638 -10.782 5.129 1.00 3.23 H new ATOM 0 HG23 VAL A 113 6.149 -9.873 3.680 1.00 3.23 H new ATOM 1787 N VAL A 114 1.916 -11.249 6.143 1.00 1.66 N ATOM 1788 CA VAL A 114 0.506 -11.120 6.554 1.00 1.46 C ATOM 1789 C VAL A 114 0.354 -9.881 7.445 1.00 1.40 C ATOM 1790 O VAL A 114 1.208 -9.619 8.290 1.00 1.74 O ATOM 1791 CB VAL A 114 0.006 -12.392 7.286 1.00 1.77 C ATOM 1792 CG1 VAL A 114 -1.489 -12.300 7.629 1.00 2.29 C ATOM 1793 CG2 VAL A 114 0.215 -13.644 6.412 1.00 2.30 C ATOM 0 H VAL A 114 2.539 -11.439 6.928 1.00 1.66 H new ATOM 0 HA VAL A 114 -0.110 -11.005 5.662 1.00 1.46 H new ATOM 0 HB VAL A 114 0.586 -12.469 8.206 1.00 1.77 H new ATOM 0 HG11 VAL A 114 -1.802 -13.210 8.141 1.00 2.29 H new ATOM 0 HG12 VAL A 114 -1.661 -11.441 8.278 1.00 2.29 H new ATOM 0 HG13 VAL A 114 -2.066 -12.183 6.712 1.00 2.29 H new ATOM 0 HG21 VAL A 114 -0.143 -14.524 6.946 1.00 2.30 H new ATOM 0 HG22 VAL A 114 -0.340 -13.534 5.480 1.00 2.30 H new ATOM 0 HG23 VAL A 114 1.276 -13.760 6.191 1.00 2.30 H new ATOM 1803 N LEU A 115 -0.724 -9.116 7.229 1.00 1.14 N ATOM 1804 CA LEU A 115 -1.071 -7.919 8.003 1.00 1.17 C ATOM 1805 C LEU A 115 -2.487 -8.046 8.588 1.00 1.11 C ATOM 1806 O LEU A 115 -3.326 -8.696 7.956 1.00 1.08 O ATOM 1807 CB LEU A 115 -0.973 -6.644 7.133 1.00 1.14 C ATOM 1808 CG LEU A 115 0.402 -6.470 6.447 1.00 1.60 C ATOM 1809 CD1 LEU A 115 0.377 -6.929 4.981 1.00 2.60 C ATOM 1810 CD2 LEU A 115 0.846 -5.007 6.505 1.00 1.94 C ATOM 0 H LEU A 115 -1.397 -9.319 6.490 1.00 1.14 H new ATOM 0 HA LEU A 115 -0.355 -7.834 8.821 1.00 1.17 H new ATOM 0 HB2 LEU A 115 -1.750 -6.674 6.369 1.00 1.14 H new ATOM 0 HB3 LEU A 115 -1.172 -5.772 7.756 1.00 1.14 H new ATOM 0 HG LEU A 115 1.109 -7.097 6.990 1.00 1.60 H new ATOM 0 HD11 LEU A 115 1.363 -6.789 4.539 1.00 2.60 H new ATOM 0 HD12 LEU A 115 0.105 -7.984 4.934 1.00 2.60 H new ATOM 0 HD13 LEU A 115 -0.355 -6.341 4.428 1.00 2.60 H new ATOM 0 HD21 LEU A 115 1.815 -4.901 6.018 1.00 1.94 H new ATOM 0 HD22 LEU A 115 0.113 -4.384 5.993 1.00 1.94 H new ATOM 0 HD23 LEU A 115 0.926 -4.692 7.545 1.00 1.94 H new ATOM 1822 N PRO A 116 -2.776 -7.401 9.734 1.00 1.14 N ATOM 1823 CA PRO A 116 -4.120 -7.325 10.290 1.00 1.14 C ATOM 1824 C PRO A 116 -5.036 -6.450 9.427 1.00 1.10 C ATOM 1825 O PRO A 116 -4.590 -5.521 8.750 1.00 1.08 O ATOM 1826 CB PRO A 116 -3.942 -6.712 11.687 1.00 1.23 C ATOM 1827 CG PRO A 116 -2.722 -5.812 11.496 1.00 1.14 C ATOM 1828 CD PRO A 116 -1.846 -6.659 10.579 1.00 1.16 C ATOM 0 HA PRO A 116 -4.592 -8.307 10.328 1.00 1.14 H new ATOM 0 HB2 PRO A 116 -4.820 -6.146 11.997 1.00 1.23 H new ATOM 0 HB3 PRO A 116 -3.770 -7.475 12.447 1.00 1.23 H new ATOM 0 HG2 PRO A 116 -2.986 -4.857 11.041 1.00 1.14 H new ATOM 0 HG3 PRO A 116 -2.227 -5.589 12.441 1.00 1.14 H new ATOM 0 HD2 PRO A 116 -1.184 -6.034 9.980 1.00 1.16 H new ATOM 0 HD3 PRO A 116 -1.213 -7.334 11.154 1.00 1.16 H new ATOM 1836 N VAL A 117 -6.340 -6.709 9.529 1.00 1.13 N ATOM 1837 CA VAL A 117 -7.393 -5.775 9.116 1.00 1.13 C ATOM 1838 C VAL A 117 -8.019 -5.199 10.384 1.00 1.46 C ATOM 1839 O VAL A 117 -9.070 -5.644 10.843 1.00 1.20 O ATOM 1840 CB VAL A 117 -8.450 -6.422 8.190 1.00 0.99 C ATOM 1841 CG1 VAL A 117 -9.488 -5.393 7.705 1.00 1.05 C ATOM 1842 CG2 VAL A 117 -7.779 -7.043 6.954 1.00 0.88 C ATOM 0 H VAL A 117 -6.702 -7.585 9.906 1.00 1.13 H new ATOM 0 HA VAL A 117 -6.953 -4.980 8.514 1.00 1.13 H new ATOM 0 HB VAL A 117 -8.952 -7.191 8.777 1.00 0.99 H new ATOM 0 HG11 VAL A 117 -10.213 -5.885 7.057 1.00 1.05 H new ATOM 0 HG12 VAL A 117 -10.002 -4.962 8.564 1.00 1.05 H new ATOM 0 HG13 VAL A 117 -8.984 -4.602 7.150 1.00 1.05 H new ATOM 0 HG21 VAL A 117 -8.539 -7.493 6.315 1.00 0.88 H new ATOM 0 HG22 VAL A 117 -7.251 -6.268 6.399 1.00 0.88 H new ATOM 0 HG23 VAL A 117 -7.071 -7.809 7.271 1.00 0.88 H new ATOM 1852 N GLU A 118 -7.355 -4.190 10.945 1.00 2.38 N ATOM 1853 CA GLU A 118 -8.097 -3.069 11.509 1.00 2.05 C ATOM 1854 C GLU A 118 -8.498 -2.145 10.353 1.00 2.18 C ATOM 1855 O GLU A 118 -7.885 -2.168 9.281 1.00 2.71 O ATOM 1856 CB GLU A 118 -7.287 -2.331 12.592 1.00 2.21 C ATOM 1857 CG GLU A 118 -7.894 -2.516 13.994 1.00 2.69 C ATOM 1858 CD GLU A 118 -9.140 -1.656 14.232 1.00 3.15 C ATOM 1859 OE1 GLU A 118 -10.029 -1.571 13.356 1.00 3.83 O ATOM 1860 OE2 GLU A 118 -9.239 -1.022 15.306 1.00 4.05 O ATOM 0 H GLU A 118 -6.340 -4.126 11.020 1.00 2.38 H new ATOM 0 HA GLU A 118 -8.992 -3.431 12.016 1.00 2.05 H new ATOM 0 HB2 GLU A 118 -6.261 -2.698 12.590 1.00 2.21 H new ATOM 0 HB3 GLU A 118 -7.246 -1.268 12.352 1.00 2.21 H new ATOM 0 HG2 GLU A 118 -8.153 -3.565 14.135 1.00 2.69 H new ATOM 0 HG3 GLU A 118 -7.142 -2.270 14.744 1.00 2.69 H new ATOM 1867 N ALA A 119 -9.558 -1.375 10.582 1.00 1.98 N ATOM 1868 CA ALA A 119 -10.026 -0.309 9.701 1.00 2.30 C ATOM 1869 C ALA A 119 -9.246 1.000 9.959 1.00 2.76 C ATOM 1870 O ALA A 119 -8.480 1.065 10.921 1.00 3.68 O ATOM 1871 CB ALA A 119 -11.531 -0.141 9.984 1.00 2.23 C ATOM 0 H ALA A 119 -10.136 -1.480 11.416 1.00 1.98 H new ATOM 0 HA ALA A 119 -9.859 -0.557 8.653 1.00 2.30 H new ATOM 0 HB1 ALA A 119 -11.935 0.648 9.349 1.00 2.23 H new ATOM 0 HB2 ALA A 119 -12.048 -1.077 9.773 1.00 2.23 H new ATOM 0 HB3 ALA A 119 -11.677 0.126 11.031 1.00 2.23 H new ATOM 1877 N ARG A 120 -9.579 2.051 9.186 1.00 2.44 N ATOM 1878 CA ARG A 120 -9.287 3.489 9.423 1.00 2.85 C ATOM 1879 C ARG A 120 -7.785 3.805 9.497 1.00 4.44 C ATOM 1880 O ARG A 120 -7.158 3.627 8.428 1.00 5.09 O ATOM 1881 CB ARG A 120 -10.153 4.086 10.568 1.00 3.29 C ATOM 1882 CG ARG A 120 -9.998 3.351 11.905 1.00 4.81 C ATOM 1883 CD ARG A 120 -10.721 3.937 13.115 1.00 6.14 C ATOM 1884 NE ARG A 120 -10.260 3.301 14.367 1.00 7.32 N ATOM 1885 CZ ARG A 120 -10.223 2.009 14.663 1.00 8.22 C ATOM 1886 NH1 ARG A 120 -10.742 1.075 13.928 1.00 8.46 N ATOM 1887 NH2 ARG A 120 -9.630 1.603 15.742 1.00 9.47 N ATOM 1888 OXT ARG A 120 -7.309 4.280 10.546 1.00 5.60 O ATOM 0 H ARG A 120 -10.095 1.915 8.317 1.00 2.44 H new ATOM 0 HA ARG A 120 -9.607 4.028 8.531 1.00 2.85 H new ATOM 0 HB2 ARG A 120 -9.885 5.133 10.706 1.00 3.29 H new ATOM 0 HB3 ARG A 120 -11.201 4.062 10.269 1.00 3.29 H new ATOM 0 HG2 ARG A 120 -10.345 2.327 11.769 1.00 4.81 H new ATOM 0 HG3 ARG A 120 -8.935 3.299 12.140 1.00 4.81 H new ATOM 0 HD2 ARG A 120 -10.545 5.012 13.163 1.00 6.14 H new ATOM 0 HD3 ARG A 120 -11.796 3.794 13.005 1.00 6.14 H new ATOM 0 HE ARG A 120 -9.929 3.935 15.094 1.00 7.32 H new ATOM 0 HH11 ARG A 120 -11.217 1.316 13.058 1.00 8.46 H new ATOM 0 HH12 ARG A 120 -10.675 0.100 14.220 1.00 8.46 H new ATOM 0 HH21 ARG A 120 -9.190 2.278 16.367 1.00 9.47 H new ATOM 0 HH22 ARG A 120 -9.604 0.608 15.966 1.00 9.47 H new