USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 750 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 68 THR OG1 : rot -43:sc= 1.13 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.912 K(o=2,f=-2.4) USER MOD Set 2.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 111 HIS : no HD1:sc= -1.71! C(o=-1.7!,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -118:sc= 0.547 (180deg=-1.49!) USER MOD Single : A 52 THR OG1 : rot 119:sc= 1.18 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 9:sc= 0.407 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 66 LYS NZ :NH3+ -148:sc= -1.71! (180deg=-3.55!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0895) USER MOD Single : A 76 MET CE :methyl -125:sc= -0.397 (180deg=-2.17!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 68:sc= 0.0433 USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= 0.595 (180deg=0.152) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00228 USER MOD Single : A 88 LYS NZ :NH3+ 163:sc= 1.62 (180deg=1.25) USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.817) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= 0.642 (180deg=0.552) USER MOD Single : A 110 ASN : amide:sc= -1.77! K(o=-1.8!,f=0.97) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 116 LYS NZ :NH3+ 154:sc= -0.369 (180deg=-1.36!) USER MOD Single : A 120 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-0.77) USER MOD Single : B 148 TYR OH : rot 180:sc= 0 USER MOD Single : B 149 ASN : amide:sc= -2.77! C(o=-2.8!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -14.567 -3.063 -1.354 1.00 0.85 N ATOM 117 CA TRP A 44 -13.128 -3.044 -1.160 1.00 0.73 C ATOM 118 C TRP A 44 -12.513 -4.227 -1.910 1.00 0.63 C ATOM 119 O TRP A 44 -12.530 -5.363 -1.433 1.00 0.64 O ATOM 120 CB TRP A 44 -12.791 -3.090 0.333 1.00 0.78 C ATOM 121 CG TRP A 44 -11.471 -2.468 0.672 1.00 0.67 C ATOM 122 CD1 TRP A 44 -11.034 -1.228 0.305 1.00 0.70 C ATOM 123 CD2 TRP A 44 -10.425 -3.040 1.464 1.00 0.61 C ATOM 124 NE1 TRP A 44 -9.779 -0.999 0.815 1.00 0.66 N ATOM 125 CE2 TRP A 44 -9.385 -2.096 1.532 1.00 0.60 C ATOM 126 CE3 TRP A 44 -10.268 -4.256 2.122 1.00 0.64 C ATOM 127 CZ2 TRP A 44 -8.206 -2.331 2.228 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -9.098 -4.493 2.815 1.00 0.67 C ATOM 129 CH2 TRP A 44 -8.082 -3.534 2.865 1.00 0.67 C ATOM 0 HA TRP A 44 -12.710 -2.119 -1.558 1.00 0.73 H new ATOM 0 HB2 TRP A 44 -13.577 -2.579 0.890 1.00 0.78 H new ATOM 0 HB3 TRP A 44 -12.789 -4.128 0.664 1.00 0.78 H new ATOM 0 HD1 TRP A 44 -11.593 -0.529 -0.299 1.00 0.70 H new ATOM 0 HE1 TRP A 44 -9.230 -0.150 0.681 1.00 0.66 H new ATOM 0 HE3 TRP A 44 -11.048 -5.002 2.091 1.00 0.64 H new ATOM 0 HZ2 TRP A 44 -7.419 -1.593 2.264 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -8.965 -5.435 3.327 1.00 0.67 H new ATOM 0 HH2 TRP A 44 -7.180 -3.748 3.419 1.00 0.67 H new ATOM 140 N VAL A 45 -11.985 -3.934 -3.099 1.00 0.62 N ATOM 141 CA VAL A 45 -11.587 -4.955 -4.071 1.00 0.60 C ATOM 142 C VAL A 45 -10.560 -5.951 -3.528 1.00 0.54 C ATOM 143 O VAL A 45 -10.664 -7.151 -3.782 1.00 0.62 O ATOM 144 CB VAL A 45 -11.022 -4.303 -5.353 1.00 0.73 C ATOM 145 CG1 VAL A 45 -10.669 -5.360 -6.389 1.00 1.24 C ATOM 146 CG2 VAL A 45 -12.017 -3.306 -5.928 1.00 1.09 C ATOM 0 H VAL A 45 -11.820 -2.979 -3.417 1.00 0.62 H new ATOM 0 HA VAL A 45 -12.497 -5.512 -4.296 1.00 0.60 H new ATOM 0 HB VAL A 45 -10.110 -3.769 -5.088 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -10.273 -4.876 -7.282 1.00 1.24 H new ATOM 0 HG12 VAL A 45 -9.918 -6.035 -5.979 1.00 1.24 H new ATOM 0 HG13 VAL A 45 -11.563 -5.927 -6.649 1.00 1.24 H new ATOM 0 HG21 VAL A 45 -11.602 -2.857 -6.830 1.00 1.09 H new ATOM 0 HG22 VAL A 45 -12.947 -3.820 -6.173 1.00 1.09 H new ATOM 0 HG23 VAL A 45 -12.216 -2.526 -5.193 1.00 1.09 H new ATOM 156 N VAL A 46 -9.585 -5.469 -2.770 1.00 0.52 N ATOM 157 CA VAL A 46 -8.465 -6.314 -2.361 1.00 0.53 C ATOM 158 C VAL A 46 -8.897 -7.376 -1.355 1.00 0.52 C ATOM 159 O VAL A 46 -8.142 -8.305 -1.062 1.00 0.51 O ATOM 160 CB VAL A 46 -7.299 -5.489 -1.778 1.00 0.63 C ATOM 161 CG1 VAL A 46 -6.952 -4.342 -2.699 1.00 1.25 C ATOM 162 CG2 VAL A 46 -7.613 -4.969 -0.392 1.00 1.30 C ATOM 0 H VAL A 46 -9.543 -4.509 -2.428 1.00 0.52 H new ATOM 0 HA VAL A 46 -8.114 -6.811 -3.265 1.00 0.53 H new ATOM 0 HB VAL A 46 -6.440 -6.154 -1.694 1.00 0.63 H new ATOM 0 HG11 VAL A 46 -6.128 -3.770 -2.273 1.00 1.25 H new ATOM 0 HG12 VAL A 46 -6.657 -4.734 -3.673 1.00 1.25 H new ATOM 0 HG13 VAL A 46 -7.821 -3.694 -2.816 1.00 1.25 H new ATOM 0 HG21 VAL A 46 -6.766 -4.394 -0.019 1.00 1.30 H new ATOM 0 HG22 VAL A 46 -8.495 -4.330 -0.434 1.00 1.30 H new ATOM 0 HG23 VAL A 46 -7.805 -5.808 0.277 1.00 1.30 H new ATOM 172 N GLY A 47 -10.117 -7.247 -0.841 1.00 0.57 N ATOM 173 CA GLY A 47 -10.641 -8.235 0.079 1.00 0.58 C ATOM 174 C GLY A 47 -10.925 -9.554 -0.610 1.00 0.57 C ATOM 175 O GLY A 47 -11.083 -10.583 0.045 1.00 0.62 O ATOM 0 H GLY A 47 -10.751 -6.475 -1.047 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -9.927 -8.394 0.887 1.00 0.58 H new ATOM 0 HA3 GLY A 47 -11.557 -7.858 0.533 1.00 0.58 H new ATOM 179 N LYS A 48 -10.979 -9.523 -1.938 1.00 0.59 N ATOM 180 CA LYS A 48 -11.283 -10.714 -2.718 1.00 0.67 C ATOM 181 C LYS A 48 -10.056 -11.614 -2.825 1.00 0.65 C ATOM 182 O LYS A 48 -10.176 -12.832 -2.934 1.00 0.80 O ATOM 183 CB LYS A 48 -11.755 -10.316 -4.119 1.00 0.77 C ATOM 184 CG LYS A 48 -12.498 -11.417 -4.858 1.00 1.27 C ATOM 185 CD LYS A 48 -13.845 -11.705 -4.210 1.00 1.65 C ATOM 186 CE LYS A 48 -14.746 -10.480 -4.239 1.00 2.24 C ATOM 187 NZ LYS A 48 -16.004 -10.687 -3.481 1.00 2.99 N ATOM 0 H LYS A 48 -10.816 -8.684 -2.495 1.00 0.59 H new ATOM 0 HA LYS A 48 -12.077 -11.264 -2.212 1.00 0.67 H new ATOM 0 HB2 LYS A 48 -12.405 -9.445 -4.038 1.00 0.77 H new ATOM 0 HB3 LYS A 48 -10.890 -10.015 -4.711 1.00 0.77 H new ATOM 0 HG2 LYS A 48 -12.647 -11.124 -5.897 1.00 1.27 H new ATOM 0 HG3 LYS A 48 -11.894 -12.324 -4.866 1.00 1.27 H new ATOM 0 HD2 LYS A 48 -14.332 -12.530 -4.730 1.00 1.65 H new ATOM 0 HD3 LYS A 48 -13.694 -12.024 -3.179 1.00 1.65 H new ATOM 0 HE2 LYS A 48 -14.210 -9.628 -3.822 1.00 2.24 H new ATOM 0 HE3 LYS A 48 -14.984 -10.232 -5.273 1.00 2.24 H new ATOM 0 HZ1 LYS A 48 -16.584 -9.825 -3.530 1.00 2.99 H new ATOM 0 HZ2 LYS A 48 -16.531 -11.483 -3.893 1.00 2.99 H new ATOM 0 HZ3 LYS A 48 -15.780 -10.898 -2.487 1.00 2.99 H new ATOM 201 N ASP A 49 -8.880 -11.010 -2.763 1.00 0.61 N ATOM 202 CA ASP A 49 -7.636 -11.749 -2.935 1.00 0.70 C ATOM 203 C ASP A 49 -6.765 -11.595 -1.697 1.00 0.53 C ATOM 204 O ASP A 49 -5.547 -11.773 -1.740 1.00 0.46 O ATOM 205 CB ASP A 49 -6.905 -11.266 -4.194 1.00 0.96 C ATOM 206 CG ASP A 49 -5.796 -12.204 -4.645 1.00 1.38 C ATOM 207 OD1 ASP A 49 -5.974 -13.442 -4.555 1.00 1.80 O ATOM 208 OD2 ASP A 49 -4.753 -11.709 -5.124 1.00 1.82 O ATOM 0 H ASP A 49 -8.759 -10.011 -2.595 1.00 0.61 H new ATOM 0 HA ASP A 49 -7.860 -12.808 -3.062 1.00 0.70 H new ATOM 0 HB2 ASP A 49 -7.626 -11.153 -5.003 1.00 0.96 H new ATOM 0 HB3 ASP A 49 -6.482 -10.280 -4.004 1.00 0.96 H new ATOM 213 N LYS A 50 -7.417 -11.288 -0.575 1.00 0.52 N ATOM 214 CA LYS A 50 -6.727 -11.170 0.707 1.00 0.46 C ATOM 215 C LYS A 50 -5.879 -12.400 1.044 1.00 0.43 C ATOM 216 O LYS A 50 -4.779 -12.231 1.540 1.00 0.43 O ATOM 217 CB LYS A 50 -7.695 -10.895 1.859 1.00 0.51 C ATOM 218 CG LYS A 50 -8.073 -9.432 2.001 1.00 0.55 C ATOM 219 CD LYS A 50 -6.866 -8.542 2.304 1.00 0.74 C ATOM 220 CE LYS A 50 -6.440 -8.600 3.771 1.00 0.79 C ATOM 221 NZ LYS A 50 -5.568 -9.766 4.087 1.00 0.93 N ATOM 0 H LYS A 50 -8.422 -11.117 -0.529 1.00 0.52 H new ATOM 0 HA LYS A 50 -6.059 -10.317 0.591 1.00 0.46 H new ATOM 0 HB2 LYS A 50 -8.601 -11.482 1.709 1.00 0.51 H new ATOM 0 HB3 LYS A 50 -7.244 -11.237 2.791 1.00 0.51 H new ATOM 0 HG2 LYS A 50 -8.549 -9.092 1.081 1.00 0.55 H new ATOM 0 HG3 LYS A 50 -8.808 -9.326 2.799 1.00 0.55 H new ATOM 0 HD2 LYS A 50 -6.029 -8.846 1.675 1.00 0.74 H new ATOM 0 HD3 LYS A 50 -7.105 -7.512 2.040 1.00 0.74 H new ATOM 0 HE2 LYS A 50 -5.912 -7.681 4.025 1.00 0.79 H new ATOM 0 HE3 LYS A 50 -7.330 -8.640 4.399 1.00 0.79 H new ATOM 0 HZ1 LYS A 50 -6.042 -10.375 4.784 1.00 0.93 H new ATOM 0 HZ2 LYS A 50 -5.387 -10.309 3.219 1.00 0.93 H new ATOM 0 HZ3 LYS A 50 -4.666 -9.429 4.479 1.00 0.93 H new ATOM 235 N PRO A 51 -6.361 -13.651 0.805 1.00 0.46 N ATOM 236 CA PRO A 51 -5.576 -14.868 1.073 1.00 0.48 C ATOM 237 C PRO A 51 -4.165 -14.796 0.498 1.00 0.42 C ATOM 238 O PRO A 51 -3.193 -15.157 1.163 1.00 0.44 O ATOM 239 CB PRO A 51 -6.375 -15.984 0.376 1.00 0.57 C ATOM 240 CG PRO A 51 -7.409 -15.283 -0.438 1.00 0.54 C ATOM 241 CD PRO A 51 -7.690 -14.005 0.288 1.00 0.51 C ATOM 0 HA PRO A 51 -5.442 -15.025 2.143 1.00 0.48 H new ATOM 0 HB2 PRO A 51 -5.728 -16.596 -0.253 1.00 0.57 H new ATOM 0 HB3 PRO A 51 -6.835 -16.651 1.105 1.00 0.57 H new ATOM 0 HG2 PRO A 51 -7.048 -15.089 -1.448 1.00 0.54 H new ATOM 0 HG3 PRO A 51 -8.311 -15.888 -0.532 1.00 0.54 H new ATOM 0 HD2 PRO A 51 -8.088 -13.237 -0.376 1.00 0.51 H new ATOM 0 HD3 PRO A 51 -8.417 -14.142 1.089 1.00 0.51 H new ATOM 249 N THR A 52 -4.055 -14.304 -0.725 1.00 0.39 N ATOM 250 CA THR A 52 -2.764 -14.211 -1.385 1.00 0.41 C ATOM 251 C THR A 52 -1.893 -13.136 -0.731 1.00 0.35 C ATOM 252 O THR A 52 -0.713 -13.363 -0.437 1.00 0.38 O ATOM 253 CB THR A 52 -2.944 -13.880 -2.877 1.00 0.51 C ATOM 254 OG1 THR A 52 -3.934 -14.742 -3.451 1.00 0.67 O ATOM 255 CG2 THR A 52 -1.634 -14.044 -3.633 1.00 0.56 C ATOM 0 H THR A 52 -4.841 -13.964 -1.279 1.00 0.39 H new ATOM 0 HA THR A 52 -2.270 -15.177 -1.285 1.00 0.41 H new ATOM 0 HB THR A 52 -3.266 -12.842 -2.958 1.00 0.51 H new ATOM 0 HG1 THR A 52 -4.677 -14.203 -3.794 1.00 0.67 H new ATOM 0 HG21 THR A 52 -1.789 -13.804 -4.685 1.00 0.56 H new ATOM 0 HG22 THR A 52 -0.885 -13.372 -3.214 1.00 0.56 H new ATOM 0 HG23 THR A 52 -1.288 -15.074 -3.543 1.00 0.56 H new ATOM 263 N TYR A 53 -2.496 -11.982 -0.456 1.00 0.33 N ATOM 264 CA TYR A 53 -1.767 -10.868 0.142 1.00 0.37 C ATOM 265 C TYR A 53 -1.434 -11.189 1.596 1.00 0.32 C ATOM 266 O TYR A 53 -0.483 -10.661 2.165 1.00 0.35 O ATOM 267 CB TYR A 53 -2.605 -9.583 0.080 1.00 0.48 C ATOM 268 CG TYR A 53 -3.195 -9.270 -1.284 1.00 0.57 C ATOM 269 CD1 TYR A 53 -2.515 -9.619 -2.446 1.00 0.67 C ATOM 270 CD2 TYR A 53 -4.424 -8.630 -1.415 1.00 0.65 C ATOM 271 CE1 TYR A 53 -3.043 -9.350 -3.696 1.00 0.76 C ATOM 272 CE2 TYR A 53 -4.958 -8.355 -2.662 1.00 0.76 C ATOM 273 CZ TYR A 53 -4.297 -8.678 -3.776 1.00 0.81 C ATOM 274 OH TYR A 53 -4.791 -8.438 -5.045 1.00 0.92 O ATOM 0 H TYR A 53 -3.482 -11.795 -0.637 1.00 0.33 H new ATOM 0 HA TYR A 53 -0.845 -10.716 -0.419 1.00 0.37 H new ATOM 0 HB2 TYR A 53 -3.418 -9.661 0.802 1.00 0.48 H new ATOM 0 HB3 TYR A 53 -1.982 -8.745 0.391 1.00 0.48 H new ATOM 0 HD1 TYR A 53 -1.556 -10.110 -2.371 1.00 0.67 H new ATOM 0 HD2 TYR A 53 -4.970 -8.343 -0.529 1.00 0.65 H new ATOM 0 HE1 TYR A 53 -2.516 -9.643 -4.592 1.00 0.76 H new ATOM 0 HE2 TYR A 53 -5.922 -7.873 -2.735 1.00 0.76 H new ATOM 0 HH TYR A 53 -5.652 -7.975 -4.979 1.00 0.92 H new ATOM 284 N ASP A 54 -2.215 -12.100 2.163 1.00 0.32 N ATOM 285 CA ASP A 54 -2.040 -12.548 3.539 1.00 0.40 C ATOM 286 C ASP A 54 -0.816 -13.447 3.611 1.00 0.43 C ATOM 287 O ASP A 54 0.026 -13.318 4.501 1.00 0.49 O ATOM 288 CB ASP A 54 -3.291 -13.315 3.994 1.00 0.50 C ATOM 289 CG ASP A 54 -3.418 -13.463 5.501 1.00 1.22 C ATOM 290 OD1 ASP A 54 -2.756 -14.343 6.080 1.00 1.86 O ATOM 291 OD2 ASP A 54 -4.228 -12.718 6.109 1.00 1.46 O ATOM 0 H ASP A 54 -2.991 -12.551 1.679 1.00 0.32 H new ATOM 0 HA ASP A 54 -1.898 -11.690 4.197 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -4.175 -12.803 3.615 1.00 0.50 H new ATOM 0 HB3 ASP A 54 -3.279 -14.307 3.543 1.00 0.50 H new ATOM 296 N GLU A 55 -0.721 -14.345 2.632 1.00 0.43 N ATOM 297 CA GLU A 55 0.418 -15.247 2.504 1.00 0.52 C ATOM 298 C GLU A 55 1.712 -14.457 2.449 1.00 0.52 C ATOM 299 O GLU A 55 2.641 -14.690 3.227 1.00 0.70 O ATOM 300 CB GLU A 55 0.298 -16.071 1.230 1.00 0.57 C ATOM 301 CG GLU A 55 1.120 -17.352 1.245 1.00 1.01 C ATOM 302 CD GLU A 55 1.030 -18.127 -0.054 1.00 1.39 C ATOM 303 OE1 GLU A 55 1.762 -17.785 -1.006 1.00 2.00 O ATOM 304 OE2 GLU A 55 0.240 -19.090 -0.123 1.00 1.90 O ATOM 0 H GLU A 55 -1.430 -14.466 1.908 1.00 0.43 H new ATOM 0 HA GLU A 55 0.426 -15.907 3.371 1.00 0.52 H new ATOM 0 HB2 GLU A 55 -0.750 -16.325 1.071 1.00 0.57 H new ATOM 0 HB3 GLU A 55 0.610 -15.460 0.383 1.00 0.57 H new ATOM 0 HG2 GLU A 55 2.163 -17.106 1.444 1.00 1.01 H new ATOM 0 HG3 GLU A 55 0.781 -17.986 2.064 1.00 1.01 H new ATOM 311 N ILE A 56 1.749 -13.507 1.524 1.00 0.40 N ATOM 312 CA ILE A 56 2.946 -12.724 1.282 1.00 0.42 C ATOM 313 C ILE A 56 3.295 -11.877 2.509 1.00 0.40 C ATOM 314 O ILE A 56 4.462 -11.755 2.881 1.00 0.52 O ATOM 315 CB ILE A 56 2.779 -11.811 0.053 1.00 0.44 C ATOM 316 CG1 ILE A 56 2.143 -12.575 -1.111 1.00 0.47 C ATOM 317 CG2 ILE A 56 4.131 -11.284 -0.363 1.00 0.53 C ATOM 318 CD1 ILE A 56 1.871 -11.714 -2.328 1.00 0.52 C ATOM 0 H ILE A 56 0.958 -13.262 0.928 1.00 0.40 H new ATOM 0 HA ILE A 56 3.759 -13.423 1.086 1.00 0.42 H new ATOM 0 HB ILE A 56 2.122 -10.982 0.318 1.00 0.44 H new ATOM 0 HG12 ILE A 56 2.800 -13.396 -1.397 1.00 0.47 H new ATOM 0 HG13 ILE A 56 1.206 -13.019 -0.774 1.00 0.47 H new ATOM 0 HG21 ILE A 56 4.017 -10.637 -1.233 1.00 0.53 H new ATOM 0 HG22 ILE A 56 4.568 -10.715 0.458 1.00 0.53 H new ATOM 0 HG23 ILE A 56 4.785 -12.119 -0.615 1.00 0.53 H new ATOM 0 HD11 ILE A 56 1.420 -12.323 -3.111 1.00 0.52 H new ATOM 0 HD12 ILE A 56 1.189 -10.908 -2.058 1.00 0.52 H new ATOM 0 HD13 ILE A 56 2.808 -11.291 -2.691 1.00 0.52 H new ATOM 330 N PHE A 57 2.273 -11.319 3.141 1.00 0.31 N ATOM 331 CA PHE A 57 2.448 -10.494 4.335 1.00 0.31 C ATOM 332 C PHE A 57 3.133 -11.290 5.450 1.00 0.35 C ATOM 333 O PHE A 57 3.981 -10.766 6.171 1.00 0.40 O ATOM 334 CB PHE A 57 1.080 -9.981 4.805 1.00 0.29 C ATOM 335 CG PHE A 57 1.119 -9.103 6.025 1.00 0.31 C ATOM 336 CD1 PHE A 57 1.645 -7.825 5.950 1.00 0.32 C ATOM 337 CD2 PHE A 57 0.652 -9.561 7.246 1.00 0.40 C ATOM 338 CE1 PHE A 57 1.698 -7.015 7.064 1.00 0.36 C ATOM 339 CE2 PHE A 57 0.706 -8.755 8.367 1.00 0.43 C ATOM 340 CZ PHE A 57 1.149 -7.481 8.278 1.00 0.40 C ATOM 0 H PHE A 57 1.302 -11.422 2.845 1.00 0.31 H new ATOM 0 HA PHE A 57 3.086 -9.645 4.089 1.00 0.31 H new ATOM 0 HB2 PHE A 57 0.617 -9.425 3.990 1.00 0.29 H new ATOM 0 HB3 PHE A 57 0.438 -10.838 5.012 1.00 0.29 H new ATOM 0 HD1 PHE A 57 2.019 -7.457 5.006 1.00 0.32 H new ATOM 0 HD2 PHE A 57 0.242 -10.557 7.322 1.00 0.40 H new ATOM 0 HE1 PHE A 57 2.153 -6.037 7.009 1.00 0.36 H new ATOM 0 HE2 PHE A 57 0.391 -9.146 9.323 1.00 0.43 H new ATOM 0 HZ PHE A 57 1.083 -6.823 9.132 1.00 0.40 H new ATOM 350 N TYR A 58 2.780 -12.567 5.569 1.00 0.35 N ATOM 351 CA TYR A 58 3.343 -13.413 6.619 1.00 0.41 C ATOM 352 C TYR A 58 4.715 -13.961 6.234 1.00 0.43 C ATOM 353 O TYR A 58 5.516 -14.296 7.105 1.00 0.46 O ATOM 354 CB TYR A 58 2.390 -14.566 6.953 1.00 0.50 C ATOM 355 CG TYR A 58 1.244 -14.167 7.860 1.00 0.91 C ATOM 356 CD1 TYR A 58 0.262 -13.288 7.421 1.00 1.23 C ATOM 357 CD2 TYR A 58 1.147 -14.660 9.154 1.00 1.50 C ATOM 358 CE1 TYR A 58 -0.780 -12.914 8.246 1.00 1.92 C ATOM 359 CE2 TYR A 58 0.109 -14.291 9.984 1.00 2.18 C ATOM 360 CZ TYR A 58 -0.867 -13.454 9.521 1.00 2.35 C ATOM 361 OH TYR A 58 -1.886 -13.045 10.352 1.00 3.08 O ATOM 0 H TYR A 58 2.112 -13.036 4.957 1.00 0.35 H new ATOM 0 HA TYR A 58 3.470 -12.788 7.503 1.00 0.41 H new ATOM 0 HB2 TYR A 58 1.984 -14.970 6.026 1.00 0.50 H new ATOM 0 HB3 TYR A 58 2.956 -15.367 7.429 1.00 0.50 H new ATOM 0 HD1 TYR A 58 0.314 -12.891 6.418 1.00 1.23 H new ATOM 0 HD2 TYR A 58 1.898 -15.345 9.518 1.00 1.50 H new ATOM 0 HE1 TYR A 58 -1.521 -12.207 7.902 1.00 1.92 H new ATOM 0 HE2 TYR A 58 0.068 -14.663 10.997 1.00 2.18 H new ATOM 0 HH TYR A 58 -1.815 -13.512 11.211 1.00 3.08 H new ATOM 371 N THR A 59 5.004 -14.028 4.940 1.00 0.44 N ATOM 372 CA THR A 59 6.305 -14.517 4.489 1.00 0.48 C ATOM 373 C THR A 59 7.381 -13.445 4.656 1.00 0.42 C ATOM 374 O THR A 59 8.573 -13.740 4.681 1.00 0.45 O ATOM 375 CB THR A 59 6.264 -14.997 3.022 1.00 0.59 C ATOM 376 OG1 THR A 59 5.661 -14.009 2.178 1.00 0.63 O ATOM 377 CG2 THR A 59 5.490 -16.303 2.897 1.00 0.75 C ATOM 0 H THR A 59 4.366 -13.755 4.192 1.00 0.44 H new ATOM 0 HA THR A 59 6.556 -15.372 5.116 1.00 0.48 H new ATOM 0 HB THR A 59 7.294 -15.160 2.704 1.00 0.59 H new ATOM 0 HG1 THR A 59 5.528 -13.182 2.686 1.00 0.63 H new ATOM 0 HG21 THR A 59 5.476 -16.619 1.854 1.00 0.75 H new ATOM 0 HG22 THR A 59 5.972 -17.071 3.503 1.00 0.75 H new ATOM 0 HG23 THR A 59 4.468 -16.155 3.245 1.00 0.75 H new ATOM 385 N LEU A 60 6.944 -12.198 4.788 1.00 0.37 N ATOM 386 CA LEU A 60 7.859 -11.081 5.000 1.00 0.38 C ATOM 387 C LEU A 60 8.071 -10.841 6.491 1.00 0.41 C ATOM 388 O LEU A 60 8.763 -9.901 6.882 1.00 0.56 O ATOM 389 CB LEU A 60 7.329 -9.806 4.334 1.00 0.40 C ATOM 390 CG LEU A 60 7.803 -9.564 2.896 1.00 0.52 C ATOM 391 CD1 LEU A 60 7.451 -10.741 2.003 1.00 1.26 C ATOM 392 CD2 LEU A 60 7.197 -8.279 2.348 1.00 1.25 C ATOM 0 H LEU A 60 5.959 -11.934 4.752 1.00 0.37 H new ATOM 0 HA LEU A 60 8.815 -11.338 4.544 1.00 0.38 H new ATOM 0 HB2 LEU A 60 6.240 -9.842 4.337 1.00 0.40 H new ATOM 0 HB3 LEU A 60 7.622 -8.951 4.943 1.00 0.40 H new ATOM 0 HG LEU A 60 8.888 -9.461 2.908 1.00 0.52 H new ATOM 0 HD11 LEU A 60 7.798 -10.545 0.989 1.00 1.26 H new ATOM 0 HD12 LEU A 60 7.932 -11.642 2.383 1.00 1.26 H new ATOM 0 HD13 LEU A 60 6.370 -10.882 1.996 1.00 1.26 H new ATOM 0 HD21 LEU A 60 7.543 -8.120 1.326 1.00 1.25 H new ATOM 0 HD22 LEU A 60 6.110 -8.357 2.355 1.00 1.25 H new ATOM 0 HD23 LEU A 60 7.504 -7.438 2.970 1.00 1.25 H new ATOM 404 N SER A 61 7.475 -11.717 7.301 1.00 0.36 N ATOM 405 CA SER A 61 7.591 -11.669 8.755 1.00 0.41 C ATOM 406 C SER A 61 6.886 -10.444 9.339 1.00 0.40 C ATOM 407 O SER A 61 7.468 -9.366 9.459 1.00 0.50 O ATOM 408 CB SER A 61 9.063 -11.707 9.184 1.00 0.55 C ATOM 409 OG SER A 61 9.703 -12.879 8.692 1.00 1.11 O ATOM 0 H SER A 61 6.895 -12.484 6.962 1.00 0.36 H new ATOM 0 HA SER A 61 7.092 -12.553 9.153 1.00 0.41 H new ATOM 0 HB2 SER A 61 9.578 -10.822 8.811 1.00 0.55 H new ATOM 0 HB3 SER A 61 9.130 -11.680 10.272 1.00 0.55 H new ATOM 0 HG SER A 61 10.641 -12.883 8.975 1.00 1.11 H new ATOM 415 N PRO A 62 5.608 -10.594 9.699 1.00 0.37 N ATOM 416 CA PRO A 62 4.840 -9.530 10.313 1.00 0.42 C ATOM 417 C PRO A 62 5.129 -9.429 11.804 1.00 0.47 C ATOM 418 O PRO A 62 4.543 -10.148 12.613 1.00 0.69 O ATOM 419 CB PRO A 62 3.380 -9.934 10.079 1.00 0.50 C ATOM 420 CG PRO A 62 3.405 -11.294 9.444 1.00 0.51 C ATOM 421 CD PRO A 62 4.810 -11.815 9.551 1.00 0.38 C ATOM 0 HA PRO A 62 5.083 -8.555 9.891 1.00 0.42 H new ATOM 0 HB2 PRO A 62 2.829 -9.956 11.019 1.00 0.50 H new ATOM 0 HB3 PRO A 62 2.878 -9.214 9.432 1.00 0.50 H new ATOM 0 HG2 PRO A 62 2.708 -11.965 9.946 1.00 0.51 H new ATOM 0 HG3 PRO A 62 3.096 -11.236 8.400 1.00 0.51 H new ATOM 0 HD2 PRO A 62 4.929 -12.480 10.406 1.00 0.38 H new ATOM 0 HD3 PRO A 62 5.099 -12.380 8.665 1.00 0.38 H new ATOM 429 N VAL A 63 6.027 -8.535 12.169 1.00 0.39 N ATOM 430 CA VAL A 63 6.443 -8.415 13.551 1.00 0.48 C ATOM 431 C VAL A 63 5.506 -7.479 14.303 1.00 0.42 C ATOM 432 O VAL A 63 5.352 -6.310 13.952 1.00 0.41 O ATOM 433 CB VAL A 63 7.908 -7.932 13.672 1.00 0.60 C ATOM 434 CG1 VAL A 63 8.856 -9.005 13.154 1.00 1.43 C ATOM 435 CG2 VAL A 63 8.132 -6.626 12.919 1.00 1.14 C ATOM 0 H VAL A 63 6.481 -7.883 11.529 1.00 0.39 H new ATOM 0 HA VAL A 63 6.391 -9.407 14.000 1.00 0.48 H new ATOM 0 HB VAL A 63 8.113 -7.747 14.727 1.00 0.60 H new ATOM 0 HG11 VAL A 63 9.885 -8.656 13.243 1.00 1.43 H new ATOM 0 HG12 VAL A 63 8.730 -9.916 13.740 1.00 1.43 H new ATOM 0 HG13 VAL A 63 8.633 -9.213 12.108 1.00 1.43 H new ATOM 0 HG21 VAL A 63 9.172 -6.318 13.027 1.00 1.14 H new ATOM 0 HG22 VAL A 63 7.904 -6.771 11.863 1.00 1.14 H new ATOM 0 HG23 VAL A 63 7.481 -5.854 13.328 1.00 1.14 H new ATOM 445 N ASN A 64 4.831 -8.037 15.306 1.00 0.47 N ATOM 446 CA ASN A 64 3.872 -7.292 16.123 1.00 0.50 C ATOM 447 C ASN A 64 2.684 -6.824 15.277 1.00 0.52 C ATOM 448 O ASN A 64 1.995 -5.863 15.625 1.00 0.68 O ATOM 449 CB ASN A 64 4.548 -6.097 16.811 1.00 0.57 C ATOM 450 CG ASN A 64 5.642 -6.521 17.779 1.00 1.25 C ATOM 451 OD1 ASN A 64 5.574 -7.593 18.382 1.00 2.15 O ATOM 452 ND2 ASN A 64 6.660 -5.685 17.935 1.00 1.72 N ATOM 0 H ASN A 64 4.932 -9.015 15.576 1.00 0.47 H new ATOM 0 HA ASN A 64 3.499 -7.963 16.897 1.00 0.50 H new ATOM 0 HB2 ASN A 64 4.974 -5.439 16.053 1.00 0.57 H new ATOM 0 HB3 ASN A 64 3.796 -5.519 17.349 1.00 0.57 H new ATOM 0 HD21 ASN A 64 7.421 -5.921 18.572 1.00 1.72 H new ATOM 0 HD22 ASN A 64 6.682 -4.806 17.418 1.00 1.72 H new ATOM 459 N GLY A 65 2.442 -7.525 14.174 1.00 0.46 N ATOM 460 CA GLY A 65 1.302 -7.217 13.329 1.00 0.55 C ATOM 461 C GLY A 65 1.576 -6.107 12.329 1.00 0.45 C ATOM 462 O GLY A 65 0.687 -5.323 12.013 1.00 0.62 O ATOM 0 H GLY A 65 3.016 -8.303 13.849 1.00 0.46 H new ATOM 0 HA2 GLY A 65 1.005 -8.117 12.790 1.00 0.55 H new ATOM 0 HA3 GLY A 65 0.460 -6.930 13.958 1.00 0.55 H new ATOM 466 N LYS A 66 2.807 -6.025 11.844 1.00 0.32 N ATOM 467 CA LYS A 66 3.161 -5.053 10.812 1.00 0.35 C ATOM 468 C LYS A 66 4.505 -5.438 10.205 1.00 0.27 C ATOM 469 O LYS A 66 5.364 -5.977 10.901 1.00 0.42 O ATOM 470 CB LYS A 66 3.252 -3.642 11.417 1.00 0.58 C ATOM 471 CG LYS A 66 3.101 -2.516 10.410 1.00 0.74 C ATOM 472 CD LYS A 66 1.681 -1.990 10.303 1.00 0.90 C ATOM 473 CE LYS A 66 1.159 -1.400 11.593 1.00 1.52 C ATOM 474 NZ LYS A 66 0.614 -2.434 12.510 1.00 2.24 N ATOM 0 H LYS A 66 3.579 -6.619 12.147 1.00 0.32 H new ATOM 0 HA LYS A 66 2.392 -5.053 10.040 1.00 0.35 H new ATOM 0 HB2 LYS A 66 2.480 -3.537 12.180 1.00 0.58 H new ATOM 0 HB3 LYS A 66 4.213 -3.537 11.920 1.00 0.58 H new ATOM 0 HG2 LYS A 66 3.764 -1.697 10.689 1.00 0.74 H new ATOM 0 HG3 LYS A 66 3.425 -2.868 9.431 1.00 0.74 H new ATOM 0 HD2 LYS A 66 1.641 -1.230 9.523 1.00 0.90 H new ATOM 0 HD3 LYS A 66 1.024 -2.802 9.991 1.00 0.90 H new ATOM 0 HE2 LYS A 66 1.963 -0.861 12.094 1.00 1.52 H new ATOM 0 HE3 LYS A 66 0.380 -0.672 11.367 1.00 1.52 H new ATOM 0 HZ1 LYS A 66 -0.167 -2.029 13.064 1.00 2.24 H new ATOM 0 HZ2 LYS A 66 0.263 -3.240 11.955 1.00 2.24 H new ATOM 0 HZ3 LYS A 66 1.364 -2.757 13.154 1.00 2.24 H new ATOM 488 N ILE A 67 4.684 -5.195 8.916 1.00 0.24 N ATOM 489 CA ILE A 67 5.972 -5.451 8.288 1.00 0.24 C ATOM 490 C ILE A 67 6.727 -4.143 8.088 1.00 0.28 C ATOM 491 O ILE A 67 6.123 -3.095 7.836 1.00 0.31 O ATOM 492 CB ILE A 67 5.843 -6.181 6.935 1.00 0.24 C ATOM 493 CG1 ILE A 67 4.974 -5.376 5.968 1.00 0.25 C ATOM 494 CG2 ILE A 67 5.275 -7.578 7.138 1.00 0.26 C ATOM 495 CD1 ILE A 67 4.923 -5.951 4.569 1.00 0.28 C ATOM 0 H ILE A 67 3.966 -4.827 8.292 1.00 0.24 H new ATOM 0 HA ILE A 67 6.524 -6.106 8.962 1.00 0.24 H new ATOM 0 HB ILE A 67 6.837 -6.275 6.497 1.00 0.24 H new ATOM 0 HG12 ILE A 67 3.960 -5.321 6.365 1.00 0.25 H new ATOM 0 HG13 ILE A 67 5.353 -4.355 5.918 1.00 0.25 H new ATOM 0 HG21 ILE A 67 5.190 -8.080 6.174 1.00 0.26 H new ATOM 0 HG22 ILE A 67 5.938 -8.149 7.788 1.00 0.26 H new ATOM 0 HG23 ILE A 67 4.289 -7.507 7.598 1.00 0.26 H new ATOM 0 HD11 ILE A 67 4.288 -5.326 3.942 1.00 0.28 H new ATOM 0 HD12 ILE A 67 5.929 -5.981 4.151 1.00 0.28 H new ATOM 0 HD13 ILE A 67 4.515 -6.961 4.605 1.00 0.28 H new ATOM 507 N THR A 68 8.046 -4.204 8.207 1.00 0.33 N ATOM 508 CA THR A 68 8.868 -3.010 8.118 1.00 0.38 C ATOM 509 C THR A 68 9.192 -2.675 6.671 1.00 0.39 C ATOM 510 O THR A 68 9.010 -3.500 5.768 1.00 0.46 O ATOM 511 CB THR A 68 10.183 -3.152 8.911 1.00 0.44 C ATOM 512 OG1 THR A 68 11.022 -4.144 8.308 1.00 0.52 O ATOM 513 CG2 THR A 68 9.907 -3.528 10.358 1.00 0.42 C ATOM 0 H THR A 68 8.567 -5.067 8.365 1.00 0.33 H new ATOM 0 HA THR A 68 8.285 -2.201 8.557 1.00 0.38 H new ATOM 0 HB THR A 68 10.693 -2.189 8.892 1.00 0.44 H new ATOM 0 HG1 THR A 68 10.480 -4.919 8.052 1.00 0.52 H new ATOM 0 HG21 THR A 68 10.850 -3.622 10.896 1.00 0.42 H new ATOM 0 HG22 THR A 68 9.299 -2.754 10.825 1.00 0.42 H new ATOM 0 HG23 THR A 68 9.374 -4.478 10.392 1.00 0.42 H new ATOM 521 N GLY A 69 9.683 -1.460 6.458 1.00 0.38 N ATOM 522 CA GLY A 69 10.044 -1.023 5.126 1.00 0.38 C ATOM 523 C GLY A 69 11.201 -1.812 4.546 1.00 0.36 C ATOM 524 O GLY A 69 11.417 -1.802 3.340 1.00 0.37 O ATOM 0 H GLY A 69 9.838 -0.767 7.190 1.00 0.38 H new ATOM 0 HA2 GLY A 69 9.179 -1.118 4.470 1.00 0.38 H new ATOM 0 HA3 GLY A 69 10.308 0.034 5.154 1.00 0.38 H new ATOM 528 N ALA A 70 11.943 -2.500 5.412 1.00 0.36 N ATOM 529 CA ALA A 70 13.080 -3.306 4.990 1.00 0.37 C ATOM 530 C ALA A 70 12.617 -4.494 4.159 1.00 0.34 C ATOM 531 O ALA A 70 13.052 -4.684 3.024 1.00 0.33 O ATOM 532 CB ALA A 70 13.875 -3.782 6.204 1.00 0.40 C ATOM 0 H ALA A 70 11.773 -2.513 6.418 1.00 0.36 H new ATOM 0 HA ALA A 70 13.729 -2.687 4.371 1.00 0.37 H new ATOM 0 HB1 ALA A 70 14.721 -4.383 5.872 1.00 0.40 H new ATOM 0 HB2 ALA A 70 14.239 -2.919 6.761 1.00 0.40 H new ATOM 0 HB3 ALA A 70 13.232 -4.384 6.846 1.00 0.40 H new ATOM 538 N ASN A 71 11.704 -5.269 4.722 1.00 0.40 N ATOM 539 CA ASN A 71 11.266 -6.507 4.092 1.00 0.47 C ATOM 540 C ASN A 71 10.449 -6.213 2.850 1.00 0.36 C ATOM 541 O ASN A 71 10.608 -6.868 1.815 1.00 0.33 O ATOM 542 CB ASN A 71 10.452 -7.351 5.075 1.00 0.64 C ATOM 543 CG ASN A 71 10.914 -7.156 6.506 1.00 0.80 C ATOM 544 OD1 ASN A 71 10.287 -6.429 7.275 1.00 1.73 O ATOM 545 ND2 ASN A 71 12.040 -7.761 6.860 1.00 0.58 N ATOM 0 H ASN A 71 11.251 -5.064 5.613 1.00 0.40 H new ATOM 0 HA ASN A 71 12.151 -7.072 3.799 1.00 0.47 H new ATOM 0 HB2 ASN A 71 9.398 -7.086 4.995 1.00 0.64 H new ATOM 0 HB3 ASN A 71 10.537 -8.404 4.806 1.00 0.64 H new ATOM 0 HD21 ASN A 71 12.415 -7.631 7.800 1.00 0.58 H new ATOM 0 HD22 ASN A 71 12.531 -8.356 6.193 1.00 0.58 H new ATOM 552 N ALA A 72 9.589 -5.214 2.945 1.00 0.35 N ATOM 553 CA ALA A 72 8.767 -4.827 1.819 1.00 0.30 C ATOM 554 C ALA A 72 9.619 -4.218 0.709 1.00 0.29 C ATOM 555 O ALA A 72 9.285 -4.337 -0.467 1.00 0.30 O ATOM 556 CB ALA A 72 7.677 -3.876 2.272 1.00 0.36 C ATOM 0 H ALA A 72 9.444 -4.659 3.789 1.00 0.35 H new ATOM 0 HA ALA A 72 8.289 -5.717 1.409 1.00 0.30 H new ATOM 0 HB1 ALA A 72 7.064 -3.591 1.417 1.00 0.36 H new ATOM 0 HB2 ALA A 72 7.053 -4.367 3.018 1.00 0.36 H new ATOM 0 HB3 ALA A 72 8.129 -2.985 2.707 1.00 0.36 H new ATOM 562 N LYS A 73 10.737 -3.586 1.079 1.00 0.28 N ATOM 563 CA LYS A 73 11.679 -3.073 0.085 1.00 0.31 C ATOM 564 C LYS A 73 12.296 -4.237 -0.686 1.00 0.31 C ATOM 565 O LYS A 73 12.467 -4.174 -1.903 1.00 0.34 O ATOM 566 CB LYS A 73 12.788 -2.238 0.745 1.00 0.35 C ATOM 567 CG LYS A 73 13.775 -1.645 -0.251 1.00 0.39 C ATOM 568 CD LYS A 73 14.895 -0.871 0.430 1.00 0.53 C ATOM 569 CE LYS A 73 14.388 0.375 1.143 1.00 0.61 C ATOM 570 NZ LYS A 73 15.515 1.224 1.618 1.00 0.54 N ATOM 0 H LYS A 73 11.008 -3.420 2.048 1.00 0.28 H new ATOM 0 HA LYS A 73 11.132 -2.426 -0.601 1.00 0.31 H new ATOM 0 HB2 LYS A 73 12.332 -1.430 1.317 1.00 0.35 H new ATOM 0 HB3 LYS A 73 13.331 -2.864 1.453 1.00 0.35 H new ATOM 0 HG2 LYS A 73 14.205 -2.446 -0.853 1.00 0.39 H new ATOM 0 HG3 LYS A 73 13.243 -0.983 -0.934 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.396 -1.519 1.149 1.00 0.53 H new ATOM 0 HD3 LYS A 73 15.639 -0.584 -0.313 1.00 0.53 H new ATOM 0 HE2 LYS A 73 13.756 0.951 0.467 1.00 0.61 H new ATOM 0 HE3 LYS A 73 13.767 0.084 1.990 1.00 0.61 H new ATOM 0 HZ1 LYS A 73 15.137 2.065 2.099 1.00 0.54 H new ATOM 0 HZ2 LYS A 73 16.104 0.680 2.281 1.00 0.54 H new ATOM 0 HZ3 LYS A 73 16.093 1.521 0.806 1.00 0.54 H new ATOM 584 N LYS A 74 12.605 -5.305 0.041 1.00 0.32 N ATOM 585 CA LYS A 74 13.160 -6.514 -0.556 1.00 0.36 C ATOM 586 C LYS A 74 12.195 -7.099 -1.585 1.00 0.34 C ATOM 587 O LYS A 74 12.604 -7.489 -2.678 1.00 0.37 O ATOM 588 CB LYS A 74 13.467 -7.537 0.527 1.00 0.43 C ATOM 589 CG LYS A 74 14.492 -7.062 1.551 1.00 0.90 C ATOM 590 CD LYS A 74 14.514 -7.947 2.791 1.00 1.04 C ATOM 591 CE LYS A 74 15.075 -9.332 2.502 1.00 1.26 C ATOM 592 NZ LYS A 74 16.532 -9.295 2.199 1.00 2.24 N ATOM 0 H LYS A 74 12.479 -5.358 1.052 1.00 0.32 H new ATOM 0 HA LYS A 74 14.087 -6.255 -1.068 1.00 0.36 H new ATOM 0 HB2 LYS A 74 12.542 -7.793 1.044 1.00 0.43 H new ATOM 0 HB3 LYS A 74 13.833 -8.450 0.058 1.00 0.43 H new ATOM 0 HG2 LYS A 74 15.482 -7.052 1.095 1.00 0.90 H new ATOM 0 HG3 LYS A 74 14.265 -6.036 1.842 1.00 0.90 H new ATOM 0 HD2 LYS A 74 15.114 -7.469 3.565 1.00 1.04 H new ATOM 0 HD3 LYS A 74 13.502 -8.042 3.185 1.00 1.04 H new ATOM 0 HE2 LYS A 74 14.900 -9.980 3.361 1.00 1.26 H new ATOM 0 HE3 LYS A 74 14.541 -9.770 1.659 1.00 1.26 H new ATOM 0 HZ1 LYS A 74 16.903 -10.266 2.159 1.00 2.24 H new ATOM 0 HZ2 LYS A 74 16.684 -8.828 1.282 1.00 2.24 H new ATOM 0 HZ3 LYS A 74 17.028 -8.765 2.944 1.00 2.24 H new ATOM 606 N GLU A 75 10.910 -7.131 -1.237 1.00 0.32 N ATOM 607 CA GLU A 75 9.882 -7.653 -2.138 1.00 0.33 C ATOM 608 C GLU A 75 9.748 -6.764 -3.380 1.00 0.31 C ATOM 609 O GLU A 75 9.689 -7.251 -4.518 1.00 0.37 O ATOM 610 CB GLU A 75 8.534 -7.740 -1.413 1.00 0.36 C ATOM 611 CG GLU A 75 7.455 -8.450 -2.217 1.00 0.40 C ATOM 612 CD GLU A 75 7.709 -9.941 -2.360 1.00 0.44 C ATOM 613 OE1 GLU A 75 8.884 -10.336 -2.463 1.00 0.76 O ATOM 614 OE2 GLU A 75 6.733 -10.723 -2.364 1.00 0.82 O ATOM 0 H GLU A 75 10.555 -6.802 -0.339 1.00 0.32 H new ATOM 0 HA GLU A 75 10.182 -8.652 -2.454 1.00 0.33 H new ATOM 0 HB2 GLU A 75 8.673 -8.262 -0.466 1.00 0.36 H new ATOM 0 HB3 GLU A 75 8.194 -6.732 -1.174 1.00 0.36 H new ATOM 0 HG2 GLU A 75 6.489 -8.296 -1.735 1.00 0.40 H new ATOM 0 HG3 GLU A 75 7.392 -8.001 -3.208 1.00 0.40 H new ATOM 621 N MET A 76 9.722 -5.453 -3.153 1.00 0.28 N ATOM 622 CA MET A 76 9.600 -4.484 -4.237 1.00 0.31 C ATOM 623 C MET A 76 10.709 -4.665 -5.267 1.00 0.33 C ATOM 624 O MET A 76 10.455 -4.701 -6.475 1.00 0.38 O ATOM 625 CB MET A 76 9.645 -3.058 -3.685 1.00 0.40 C ATOM 626 CG MET A 76 8.444 -2.681 -2.836 1.00 0.65 C ATOM 627 SD MET A 76 6.907 -2.631 -3.773 1.00 1.04 S ATOM 628 CE MET A 76 5.764 -2.120 -2.495 1.00 0.63 C ATOM 0 H MET A 76 9.784 -5.037 -2.224 1.00 0.28 H new ATOM 0 HA MET A 76 8.641 -4.654 -4.726 1.00 0.31 H new ATOM 0 HB2 MET A 76 10.549 -2.940 -3.088 1.00 0.40 H new ATOM 0 HB3 MET A 76 9.720 -2.360 -4.519 1.00 0.40 H new ATOM 0 HG2 MET A 76 8.343 -3.398 -2.021 1.00 0.65 H new ATOM 0 HG3 MET A 76 8.619 -1.705 -2.383 1.00 0.65 H new ATOM 0 HE1 MET A 76 4.945 -2.837 -2.431 1.00 0.63 H new ATOM 0 HE2 MET A 76 6.284 -2.077 -1.538 1.00 0.63 H new ATOM 0 HE3 MET A 76 5.365 -1.135 -2.736 1.00 0.63 H new ATOM 638 N VAL A 77 11.941 -4.804 -4.790 1.00 0.35 N ATOM 639 CA VAL A 77 13.077 -4.934 -5.688 1.00 0.44 C ATOM 640 C VAL A 77 13.126 -6.331 -6.309 1.00 0.49 C ATOM 641 O VAL A 77 13.786 -6.542 -7.331 1.00 0.62 O ATOM 642 CB VAL A 77 14.419 -4.605 -4.993 1.00 0.52 C ATOM 643 CG1 VAL A 77 14.370 -3.219 -4.370 1.00 0.78 C ATOM 644 CG2 VAL A 77 14.778 -5.653 -3.951 1.00 1.02 C ATOM 0 H VAL A 77 12.175 -4.829 -3.798 1.00 0.35 H new ATOM 0 HA VAL A 77 12.935 -4.200 -6.481 1.00 0.44 H new ATOM 0 HB VAL A 77 15.200 -4.617 -5.753 1.00 0.52 H new ATOM 0 HG11 VAL A 77 15.322 -3.004 -3.885 1.00 0.78 H new ATOM 0 HG12 VAL A 77 14.183 -2.477 -5.147 1.00 0.78 H new ATOM 0 HG13 VAL A 77 13.570 -3.180 -3.631 1.00 0.78 H new ATOM 0 HG21 VAL A 77 15.726 -5.390 -3.483 1.00 1.02 H new ATOM 0 HG22 VAL A 77 13.997 -5.693 -3.192 1.00 1.02 H new ATOM 0 HG23 VAL A 77 14.868 -6.627 -4.431 1.00 1.02 H new ATOM 654 N LYS A 78 12.417 -7.293 -5.711 1.00 0.46 N ATOM 655 CA LYS A 78 12.283 -8.605 -6.332 1.00 0.58 C ATOM 656 C LYS A 78 11.398 -8.505 -7.561 1.00 0.53 C ATOM 657 O LYS A 78 11.591 -9.225 -8.541 1.00 0.62 O ATOM 658 CB LYS A 78 11.666 -9.635 -5.383 1.00 0.76 C ATOM 659 CG LYS A 78 12.551 -10.082 -4.234 1.00 0.97 C ATOM 660 CD LYS A 78 11.891 -11.230 -3.490 1.00 1.17 C ATOM 661 CE LYS A 78 12.679 -11.666 -2.269 1.00 2.01 C ATOM 662 NZ LYS A 78 12.091 -12.887 -1.653 1.00 3.04 N ATOM 0 H LYS A 78 11.938 -7.188 -4.817 1.00 0.46 H new ATOM 0 HA LYS A 78 13.288 -8.934 -6.598 1.00 0.58 H new ATOM 0 HB2 LYS A 78 10.748 -9.217 -4.970 1.00 0.76 H new ATOM 0 HB3 LYS A 78 11.383 -10.513 -5.963 1.00 0.76 H new ATOM 0 HG2 LYS A 78 13.524 -10.394 -4.613 1.00 0.97 H new ATOM 0 HG3 LYS A 78 12.727 -9.249 -3.553 1.00 0.97 H new ATOM 0 HD2 LYS A 78 10.889 -10.930 -3.183 1.00 1.17 H new ATOM 0 HD3 LYS A 78 11.777 -12.078 -4.166 1.00 1.17 H new ATOM 0 HE2 LYS A 78 13.713 -11.861 -2.552 1.00 2.01 H new ATOM 0 HE3 LYS A 78 12.695 -10.859 -1.537 1.00 2.01 H new ATOM 0 HZ1 LYS A 78 12.652 -13.160 -0.821 1.00 3.04 H new ATOM 0 HZ2 LYS A 78 11.112 -12.692 -1.362 1.00 3.04 H new ATOM 0 HZ3 LYS A 78 12.098 -13.663 -2.345 1.00 3.04 H new ATOM 676 N SER A 79 10.461 -7.566 -7.518 1.00 0.47 N ATOM 677 CA SER A 79 9.518 -7.376 -8.610 1.00 0.49 C ATOM 678 C SER A 79 10.180 -6.661 -9.787 1.00 0.48 C ATOM 679 O SER A 79 9.602 -6.565 -10.872 1.00 0.57 O ATOM 680 CB SER A 79 8.300 -6.591 -8.120 1.00 0.48 C ATOM 681 OG SER A 79 7.649 -7.274 -7.064 1.00 0.86 O ATOM 0 H SER A 79 10.335 -6.923 -6.736 1.00 0.47 H new ATOM 0 HA SER A 79 9.190 -8.356 -8.956 1.00 0.49 H new ATOM 0 HB2 SER A 79 8.612 -5.603 -7.782 1.00 0.48 H new ATOM 0 HB3 SER A 79 7.604 -6.441 -8.945 1.00 0.48 H new ATOM 0 HG SER A 79 8.226 -7.277 -6.272 1.00 0.86 H new ATOM 687 N LYS A 80 11.406 -6.173 -9.558 1.00 0.44 N ATOM 688 CA LYS A 80 12.183 -5.467 -10.584 1.00 0.47 C ATOM 689 C LYS A 80 11.470 -4.196 -11.017 1.00 0.46 C ATOM 690 O LYS A 80 11.656 -3.698 -12.125 1.00 0.58 O ATOM 691 CB LYS A 80 12.438 -6.380 -11.789 1.00 0.60 C ATOM 692 CG LYS A 80 13.269 -7.605 -11.445 1.00 0.64 C ATOM 693 CD LYS A 80 14.661 -7.212 -10.982 1.00 1.15 C ATOM 694 CE LYS A 80 15.376 -8.366 -10.303 1.00 1.42 C ATOM 695 NZ LYS A 80 14.679 -8.784 -9.057 1.00 2.05 N ATOM 0 H LYS A 80 11.885 -6.256 -8.661 1.00 0.44 H new ATOM 0 HA LYS A 80 13.145 -5.189 -10.154 1.00 0.47 H new ATOM 0 HB2 LYS A 80 11.482 -6.702 -12.202 1.00 0.60 H new ATOM 0 HB3 LYS A 80 12.946 -5.811 -12.567 1.00 0.60 H new ATOM 0 HG2 LYS A 80 12.771 -8.178 -10.663 1.00 0.64 H new ATOM 0 HG3 LYS A 80 13.343 -8.254 -12.317 1.00 0.64 H new ATOM 0 HD2 LYS A 80 15.247 -6.874 -11.837 1.00 1.15 H new ATOM 0 HD3 LYS A 80 14.591 -6.371 -10.292 1.00 1.15 H new ATOM 0 HE2 LYS A 80 15.436 -9.212 -10.988 1.00 1.42 H new ATOM 0 HE3 LYS A 80 16.399 -8.073 -10.068 1.00 1.42 H new ATOM 0 HZ1 LYS A 80 15.338 -9.314 -8.452 1.00 2.05 H new ATOM 0 HZ2 LYS A 80 14.343 -7.942 -8.548 1.00 2.05 H new ATOM 0 HZ3 LYS A 80 13.868 -9.389 -9.299 1.00 2.05 H new ATOM 709 N LEU A 81 10.676 -3.664 -10.108 1.00 0.42 N ATOM 710 CA LEU A 81 9.856 -2.505 -10.386 1.00 0.43 C ATOM 711 C LEU A 81 10.635 -1.224 -10.060 1.00 0.43 C ATOM 712 O LEU A 81 11.339 -1.164 -9.053 1.00 0.44 O ATOM 713 CB LEU A 81 8.571 -2.615 -9.560 1.00 0.46 C ATOM 714 CG LEU A 81 7.303 -2.071 -10.212 1.00 0.63 C ATOM 715 CD1 LEU A 81 7.086 -2.700 -11.581 1.00 1.34 C ATOM 716 CD2 LEU A 81 6.105 -2.342 -9.314 1.00 1.22 C ATOM 0 H LEU A 81 10.583 -4.024 -9.158 1.00 0.42 H new ATOM 0 HA LEU A 81 9.592 -2.462 -11.443 1.00 0.43 H new ATOM 0 HB2 LEU A 81 8.408 -3.665 -9.318 1.00 0.46 H new ATOM 0 HB3 LEU A 81 8.724 -2.090 -8.617 1.00 0.46 H new ATOM 0 HG LEU A 81 7.415 -0.995 -10.346 1.00 0.63 H new ATOM 0 HD11 LEU A 81 6.176 -2.297 -12.026 1.00 1.34 H new ATOM 0 HD12 LEU A 81 7.936 -2.474 -12.224 1.00 1.34 H new ATOM 0 HD13 LEU A 81 6.990 -3.780 -11.474 1.00 1.34 H new ATOM 0 HD21 LEU A 81 5.202 -1.952 -9.784 1.00 1.22 H new ATOM 0 HD22 LEU A 81 6.000 -3.416 -9.162 1.00 1.22 H new ATOM 0 HD23 LEU A 81 6.254 -1.852 -8.352 1.00 1.22 H new ATOM 728 N PRO A 82 10.544 -0.202 -10.929 1.00 0.45 N ATOM 729 CA PRO A 82 11.272 1.068 -10.761 1.00 0.49 C ATOM 730 C PRO A 82 11.003 1.750 -9.417 1.00 0.44 C ATOM 731 O PRO A 82 9.888 1.697 -8.899 1.00 0.39 O ATOM 732 CB PRO A 82 10.740 1.942 -11.897 1.00 0.54 C ATOM 733 CG PRO A 82 10.217 0.986 -12.914 1.00 0.62 C ATOM 734 CD PRO A 82 9.736 -0.214 -12.158 1.00 0.48 C ATOM 0 HA PRO A 82 12.349 0.904 -10.783 1.00 0.49 H new ATOM 0 HB2 PRO A 82 9.955 2.611 -11.545 1.00 0.54 H new ATOM 0 HB3 PRO A 82 11.528 2.568 -12.314 1.00 0.54 H new ATOM 0 HG2 PRO A 82 9.406 1.434 -13.488 1.00 0.62 H new ATOM 0 HG3 PRO A 82 10.996 0.711 -13.625 1.00 0.62 H new ATOM 0 HD2 PRO A 82 8.671 -0.147 -11.937 1.00 0.48 H new ATOM 0 HD3 PRO A 82 9.886 -1.132 -12.727 1.00 0.48 H new ATOM 742 N ASN A 83 12.031 2.412 -8.881 1.00 0.49 N ATOM 743 CA ASN A 83 11.946 3.090 -7.579 1.00 0.48 C ATOM 744 C ASN A 83 10.761 4.045 -7.505 1.00 0.41 C ATOM 745 O ASN A 83 10.092 4.132 -6.475 1.00 0.37 O ATOM 746 CB ASN A 83 13.233 3.866 -7.289 1.00 0.57 C ATOM 747 CG ASN A 83 14.380 2.974 -6.867 1.00 0.71 C ATOM 748 OD1 ASN A 83 15.148 2.493 -7.700 1.00 0.94 O ATOM 749 ND2 ASN A 83 14.503 2.754 -5.565 1.00 0.89 N ATOM 0 H ASN A 83 12.942 2.495 -9.332 1.00 0.49 H new ATOM 0 HA ASN A 83 11.806 2.311 -6.829 1.00 0.48 H new ATOM 0 HB2 ASN A 83 13.523 4.424 -8.180 1.00 0.57 H new ATOM 0 HB3 ASN A 83 13.041 4.597 -6.504 1.00 0.57 H new ATOM 0 HD21 ASN A 83 15.259 2.164 -5.217 1.00 0.89 H new ATOM 0 HD22 ASN A 83 13.842 3.175 -4.912 1.00 0.89 H new ATOM 756 N THR A 84 10.511 4.759 -8.598 1.00 0.44 N ATOM 757 CA THR A 84 9.399 5.703 -8.674 1.00 0.42 C ATOM 758 C THR A 84 8.067 5.001 -8.405 1.00 0.35 C ATOM 759 O THR A 84 7.167 5.555 -7.763 1.00 0.35 O ATOM 760 CB THR A 84 9.354 6.365 -10.064 1.00 0.48 C ATOM 761 OG1 THR A 84 10.670 6.786 -10.443 1.00 0.59 O ATOM 762 CG2 THR A 84 8.416 7.563 -10.070 1.00 0.46 C ATOM 0 H THR A 84 11.068 4.701 -9.450 1.00 0.44 H new ATOM 0 HA THR A 84 9.556 6.466 -7.912 1.00 0.42 H new ATOM 0 HB THR A 84 8.981 5.631 -10.778 1.00 0.48 H new ATOM 0 HG1 THR A 84 10.637 7.205 -11.328 1.00 0.59 H new ATOM 0 HG21 THR A 84 8.404 8.011 -11.064 1.00 0.46 H new ATOM 0 HG22 THR A 84 7.410 7.238 -9.806 1.00 0.46 H new ATOM 0 HG23 THR A 84 8.762 8.299 -9.345 1.00 0.46 H new ATOM 770 N VAL A 85 7.970 3.757 -8.854 1.00 0.34 N ATOM 771 CA VAL A 85 6.745 3.003 -8.728 1.00 0.31 C ATOM 772 C VAL A 85 6.602 2.536 -7.292 1.00 0.27 C ATOM 773 O VAL A 85 5.523 2.596 -6.715 1.00 0.29 O ATOM 774 CB VAL A 85 6.718 1.795 -9.687 1.00 0.33 C ATOM 775 CG1 VAL A 85 5.417 1.018 -9.553 1.00 0.36 C ATOM 776 CG2 VAL A 85 6.920 2.248 -11.125 1.00 0.40 C ATOM 0 H VAL A 85 8.731 3.253 -9.309 1.00 0.34 H new ATOM 0 HA VAL A 85 5.909 3.648 -8.998 1.00 0.31 H new ATOM 0 HB VAL A 85 7.538 1.132 -9.413 1.00 0.33 H new ATOM 0 HG11 VAL A 85 5.426 0.172 -10.241 1.00 0.36 H new ATOM 0 HG12 VAL A 85 5.314 0.654 -8.531 1.00 0.36 H new ATOM 0 HG13 VAL A 85 4.577 1.671 -9.791 1.00 0.36 H new ATOM 0 HG21 VAL A 85 6.898 1.382 -11.786 1.00 0.40 H new ATOM 0 HG22 VAL A 85 6.124 2.938 -11.404 1.00 0.40 H new ATOM 0 HG23 VAL A 85 7.883 2.750 -11.217 1.00 0.40 H new ATOM 786 N LEU A 86 7.721 2.105 -6.721 1.00 0.25 N ATOM 787 CA LEU A 86 7.784 1.706 -5.321 1.00 0.24 C ATOM 788 C LEU A 86 7.328 2.858 -4.427 1.00 0.25 C ATOM 789 O LEU A 86 6.540 2.664 -3.496 1.00 0.27 O ATOM 790 CB LEU A 86 9.214 1.286 -4.956 1.00 0.26 C ATOM 791 CG LEU A 86 9.662 -0.111 -5.412 1.00 0.41 C ATOM 792 CD1 LEU A 86 9.144 -0.476 -6.788 1.00 1.25 C ATOM 793 CD2 LEU A 86 11.177 -0.202 -5.400 1.00 1.23 C ATOM 0 H LEU A 86 8.609 2.023 -7.216 1.00 0.25 H new ATOM 0 HA LEU A 86 7.119 0.856 -5.166 1.00 0.24 H new ATOM 0 HB2 LEU A 86 9.902 2.018 -5.379 1.00 0.26 H new ATOM 0 HB3 LEU A 86 9.318 1.339 -3.872 1.00 0.26 H new ATOM 0 HG LEU A 86 9.235 -0.823 -4.706 1.00 0.41 H new ATOM 0 HD11 LEU A 86 9.493 -1.473 -7.055 1.00 1.25 H new ATOM 0 HD12 LEU A 86 8.054 -0.463 -6.782 1.00 1.25 H new ATOM 0 HD13 LEU A 86 9.512 0.245 -7.518 1.00 1.25 H new ATOM 0 HD21 LEU A 86 11.484 -1.196 -5.725 1.00 1.23 H new ATOM 0 HD22 LEU A 86 11.592 0.545 -6.077 1.00 1.23 H new ATOM 0 HD23 LEU A 86 11.544 -0.021 -4.390 1.00 1.23 H new ATOM 805 N GLY A 87 7.829 4.056 -4.726 1.00 0.28 N ATOM 806 CA GLY A 87 7.402 5.246 -4.024 1.00 0.32 C ATOM 807 C GLY A 87 5.899 5.456 -4.093 1.00 0.31 C ATOM 808 O GLY A 87 5.274 5.798 -3.095 1.00 0.34 O ATOM 0 H GLY A 87 8.529 4.219 -5.450 1.00 0.28 H new ATOM 0 HA2 GLY A 87 7.708 5.177 -2.980 1.00 0.32 H new ATOM 0 HA3 GLY A 87 7.907 6.114 -4.448 1.00 0.32 H new ATOM 812 N LYS A 88 5.311 5.223 -5.261 1.00 0.29 N ATOM 813 CA LYS A 88 3.875 5.432 -5.443 1.00 0.32 C ATOM 814 C LYS A 88 3.081 4.371 -4.702 1.00 0.31 C ATOM 815 O LYS A 88 2.116 4.681 -4.003 1.00 0.33 O ATOM 816 CB LYS A 88 3.496 5.421 -6.924 1.00 0.37 C ATOM 817 CG LYS A 88 4.112 6.560 -7.710 1.00 1.10 C ATOM 818 CD LYS A 88 3.648 6.553 -9.159 1.00 1.05 C ATOM 819 CE LYS A 88 2.162 6.876 -9.266 1.00 0.68 C ATOM 820 NZ LYS A 88 1.696 6.973 -10.677 1.00 1.16 N ATOM 0 H LYS A 88 5.800 4.892 -6.092 1.00 0.29 H new ATOM 0 HA LYS A 88 3.631 6.412 -5.032 1.00 0.32 H new ATOM 0 HB2 LYS A 88 3.809 4.474 -7.365 1.00 0.37 H new ATOM 0 HB3 LYS A 88 2.411 5.472 -7.014 1.00 0.37 H new ATOM 0 HG2 LYS A 88 3.845 7.510 -7.246 1.00 1.10 H new ATOM 0 HG3 LYS A 88 5.199 6.482 -7.674 1.00 1.10 H new ATOM 0 HD2 LYS A 88 4.223 7.282 -9.731 1.00 1.05 H new ATOM 0 HD3 LYS A 88 3.843 5.576 -9.601 1.00 1.05 H new ATOM 0 HE2 LYS A 88 1.589 6.106 -8.750 1.00 0.68 H new ATOM 0 HE3 LYS A 88 1.961 7.818 -8.756 1.00 0.68 H new ATOM 0 HZ1 LYS A 88 0.659 6.905 -10.705 1.00 1.16 H new ATOM 0 HZ2 LYS A 88 1.995 7.884 -11.079 1.00 1.16 H new ATOM 0 HZ3 LYS A 88 2.109 6.197 -11.233 1.00 1.16 H new ATOM 834 N ILE A 89 3.497 3.123 -4.863 1.00 0.28 N ATOM 835 CA ILE A 89 2.851 2.006 -4.190 1.00 0.30 C ATOM 836 C ILE A 89 2.838 2.237 -2.690 1.00 0.28 C ATOM 837 O ILE A 89 1.795 2.161 -2.051 1.00 0.30 O ATOM 838 CB ILE A 89 3.566 0.664 -4.479 1.00 0.31 C ATOM 839 CG1 ILE A 89 3.649 0.392 -5.984 1.00 0.37 C ATOM 840 CG2 ILE A 89 2.846 -0.480 -3.776 1.00 0.34 C ATOM 841 CD1 ILE A 89 2.304 0.301 -6.669 1.00 0.89 C ATOM 0 H ILE A 89 4.283 2.858 -5.457 1.00 0.28 H new ATOM 0 HA ILE A 89 1.833 1.946 -4.575 1.00 0.30 H new ATOM 0 HB ILE A 89 4.583 0.735 -4.093 1.00 0.31 H new ATOM 0 HG12 ILE A 89 4.232 1.184 -6.454 1.00 0.37 H new ATOM 0 HG13 ILE A 89 4.191 -0.540 -6.145 1.00 0.37 H new ATOM 0 HG21 ILE A 89 3.359 -1.418 -3.988 1.00 0.34 H new ATOM 0 HG22 ILE A 89 2.844 -0.302 -2.701 1.00 0.34 H new ATOM 0 HG23 ILE A 89 1.819 -0.539 -4.136 1.00 0.34 H new ATOM 0 HD11 ILE A 89 2.449 0.107 -7.732 1.00 0.89 H new ATOM 0 HD12 ILE A 89 1.725 -0.510 -6.228 1.00 0.89 H new ATOM 0 HD13 ILE A 89 1.767 1.241 -6.542 1.00 0.89 H new ATOM 853 N TRP A 90 4.002 2.554 -2.142 1.00 0.25 N ATOM 854 CA TRP A 90 4.127 2.754 -0.707 1.00 0.25 C ATOM 855 C TRP A 90 3.315 3.970 -0.259 1.00 0.28 C ATOM 856 O TRP A 90 2.633 3.930 0.764 1.00 0.33 O ATOM 857 CB TRP A 90 5.597 2.931 -0.310 1.00 0.22 C ATOM 858 CG TRP A 90 5.808 2.978 1.175 1.00 0.22 C ATOM 859 CD1 TRP A 90 5.610 4.049 2.003 1.00 0.25 C ATOM 860 CD2 TRP A 90 6.253 1.903 2.012 1.00 0.24 C ATOM 861 NE1 TRP A 90 5.900 3.703 3.300 1.00 0.27 N ATOM 862 CE2 TRP A 90 6.298 2.393 3.332 1.00 0.27 C ATOM 863 CE3 TRP A 90 6.617 0.575 1.776 1.00 0.29 C ATOM 864 CZ2 TRP A 90 6.689 1.600 4.408 1.00 0.31 C ATOM 865 CZ3 TRP A 90 7.007 -0.209 2.846 1.00 0.35 C ATOM 866 CH2 TRP A 90 7.039 0.305 4.145 1.00 0.35 C ATOM 0 H TRP A 90 4.868 2.678 -2.666 1.00 0.25 H new ATOM 0 HA TRP A 90 3.735 1.868 -0.208 1.00 0.25 H new ATOM 0 HB2 TRP A 90 6.180 2.110 -0.727 1.00 0.22 H new ATOM 0 HB3 TRP A 90 5.978 3.851 -0.754 1.00 0.22 H new ATOM 0 HD1 TRP A 90 5.274 5.024 1.683 1.00 0.25 H new ATOM 0 HE1 TRP A 90 5.830 4.321 4.108 1.00 0.27 H new ATOM 0 HE3 TRP A 90 6.594 0.168 0.776 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 6.715 1.994 5.413 1.00 0.31 H new ATOM 0 HZ3 TRP A 90 7.292 -1.237 2.675 1.00 0.35 H new ATOM 0 HH2 TRP A 90 7.347 -0.335 4.959 1.00 0.35 H new ATOM 877 N LYS A 91 3.379 5.041 -1.045 1.00 0.30 N ATOM 878 CA LYS A 91 2.733 6.296 -0.677 1.00 0.37 C ATOM 879 C LYS A 91 1.213 6.150 -0.633 1.00 0.37 C ATOM 880 O LYS A 91 0.544 6.807 0.171 1.00 0.43 O ATOM 881 CB LYS A 91 3.130 7.403 -1.656 1.00 0.45 C ATOM 882 CG LYS A 91 2.616 8.774 -1.263 1.00 0.62 C ATOM 883 CD LYS A 91 3.059 9.847 -2.243 1.00 1.19 C ATOM 884 CE LYS A 91 4.575 9.940 -2.309 1.00 1.38 C ATOM 885 NZ LYS A 91 5.035 11.054 -3.176 1.00 1.16 N ATOM 0 H LYS A 91 3.870 5.065 -1.938 1.00 0.30 H new ATOM 0 HA LYS A 91 3.072 6.565 0.323 1.00 0.37 H new ATOM 0 HB2 LYS A 91 4.217 7.439 -1.729 1.00 0.45 H new ATOM 0 HB3 LYS A 91 2.752 7.153 -2.647 1.00 0.45 H new ATOM 0 HG2 LYS A 91 1.527 8.753 -1.215 1.00 0.62 H new ATOM 0 HG3 LYS A 91 2.975 9.024 -0.264 1.00 0.62 H new ATOM 0 HD2 LYS A 91 2.662 9.624 -3.234 1.00 1.19 H new ATOM 0 HD3 LYS A 91 2.646 10.810 -1.943 1.00 1.19 H new ATOM 0 HE2 LYS A 91 4.972 10.078 -1.303 1.00 1.38 H new ATOM 0 HE3 LYS A 91 4.978 9.000 -2.685 1.00 1.38 H new ATOM 0 HZ1 LYS A 91 5.989 10.844 -3.534 1.00 1.16 H new ATOM 0 HZ2 LYS A 91 4.381 11.163 -3.977 1.00 1.16 H new ATOM 0 HZ3 LYS A 91 5.058 11.936 -2.625 1.00 1.16 H new ATOM 899 N LEU A 92 0.677 5.295 -1.494 1.00 0.34 N ATOM 900 CA LEU A 92 -0.763 5.057 -1.546 1.00 0.37 C ATOM 901 C LEU A 92 -1.184 3.975 -0.555 1.00 0.35 C ATOM 902 O LEU A 92 -2.204 4.105 0.115 1.00 0.37 O ATOM 903 CB LEU A 92 -1.198 4.668 -2.963 1.00 0.43 C ATOM 904 CG LEU A 92 -1.689 5.823 -3.844 1.00 0.59 C ATOM 905 CD1 LEU A 92 -0.586 6.839 -4.079 1.00 1.53 C ATOM 906 CD2 LEU A 92 -2.215 5.295 -5.167 1.00 1.21 C ATOM 0 H LEU A 92 1.217 4.753 -2.168 1.00 0.34 H new ATOM 0 HA LEU A 92 -1.259 5.987 -1.267 1.00 0.37 H new ATOM 0 HB2 LEU A 92 -0.358 4.185 -3.462 1.00 0.43 H new ATOM 0 HB3 LEU A 92 -1.994 3.927 -2.889 1.00 0.43 H new ATOM 0 HG LEU A 92 -2.503 6.324 -3.320 1.00 0.59 H new ATOM 0 HD11 LEU A 92 -0.963 7.646 -4.707 1.00 1.53 H new ATOM 0 HD12 LEU A 92 -0.257 7.246 -3.123 1.00 1.53 H new ATOM 0 HD13 LEU A 92 0.255 6.355 -4.576 1.00 1.53 H new ATOM 0 HD21 LEU A 92 -2.559 6.128 -5.780 1.00 1.21 H new ATOM 0 HD22 LEU A 92 -1.419 4.765 -5.690 1.00 1.21 H new ATOM 0 HD23 LEU A 92 -3.045 4.613 -4.982 1.00 1.21 H new ATOM 918 N ALA A 93 -0.395 2.910 -0.471 1.00 0.35 N ATOM 919 CA ALA A 93 -0.715 1.791 0.403 1.00 0.39 C ATOM 920 C ALA A 93 -0.688 2.195 1.873 1.00 0.35 C ATOM 921 O ALA A 93 -1.575 1.822 2.641 1.00 0.40 O ATOM 922 CB ALA A 93 0.253 0.649 0.161 1.00 0.43 C ATOM 0 H ALA A 93 0.471 2.799 -0.998 1.00 0.35 H new ATOM 0 HA ALA A 93 -1.728 1.466 0.167 1.00 0.39 H new ATOM 0 HB1 ALA A 93 0.005 -0.184 0.820 1.00 0.43 H new ATOM 0 HB2 ALA A 93 0.181 0.324 -0.877 1.00 0.43 H new ATOM 0 HB3 ALA A 93 1.270 0.984 0.366 1.00 0.43 H new ATOM 928 N ASP A 94 0.321 2.966 2.263 1.00 0.30 N ATOM 929 CA ASP A 94 0.420 3.432 3.640 1.00 0.32 C ATOM 930 C ASP A 94 -0.411 4.691 3.819 1.00 0.35 C ATOM 931 O ASP A 94 0.066 5.813 3.623 1.00 0.46 O ATOM 932 CB ASP A 94 1.873 3.689 4.054 1.00 0.35 C ATOM 933 CG ASP A 94 1.991 4.109 5.510 1.00 0.42 C ATOM 934 OD1 ASP A 94 1.481 3.376 6.393 1.00 0.59 O ATOM 935 OD2 ASP A 94 2.606 5.160 5.782 1.00 0.56 O ATOM 0 H ASP A 94 1.075 3.279 1.651 1.00 0.30 H new ATOM 0 HA ASP A 94 0.033 2.645 4.288 1.00 0.32 H new ATOM 0 HB2 ASP A 94 2.461 2.786 3.890 1.00 0.35 H new ATOM 0 HB3 ASP A 94 2.298 4.466 3.418 1.00 0.35 H new ATOM 940 N VAL A 95 -1.674 4.484 4.151 1.00 0.42 N ATOM 941 CA VAL A 95 -2.626 5.574 4.290 1.00 0.51 C ATOM 942 C VAL A 95 -2.526 6.218 5.665 1.00 0.59 C ATOM 943 O VAL A 95 -2.622 7.441 5.799 1.00 0.74 O ATOM 944 CB VAL A 95 -4.075 5.086 4.069 1.00 0.60 C ATOM 945 CG1 VAL A 95 -5.034 6.259 3.950 1.00 1.15 C ATOM 946 CG2 VAL A 95 -4.167 4.199 2.842 1.00 1.49 C ATOM 0 H VAL A 95 -2.068 3.560 4.331 1.00 0.42 H new ATOM 0 HA VAL A 95 -2.376 6.311 3.527 1.00 0.51 H new ATOM 0 HB VAL A 95 -4.363 4.497 4.940 1.00 0.60 H new ATOM 0 HG11 VAL A 95 -6.047 5.887 3.795 1.00 1.15 H new ATOM 0 HG12 VAL A 95 -5.001 6.850 4.865 1.00 1.15 H new ATOM 0 HG13 VAL A 95 -4.743 6.882 3.104 1.00 1.15 H new ATOM 0 HG21 VAL A 95 -5.197 3.869 2.708 1.00 1.49 H new ATOM 0 HG22 VAL A 95 -3.849 4.760 1.963 1.00 1.49 H new ATOM 0 HG23 VAL A 95 -3.521 3.330 2.972 1.00 1.49 H new ATOM 956 N ASP A 96 -2.305 5.388 6.681 1.00 0.59 N ATOM 957 CA ASP A 96 -2.325 5.852 8.066 1.00 0.69 C ATOM 958 C ASP A 96 -1.039 6.599 8.404 1.00 0.53 C ATOM 959 O ASP A 96 -0.988 7.352 9.381 1.00 0.57 O ATOM 960 CB ASP A 96 -2.540 4.676 9.032 1.00 0.88 C ATOM 961 CG ASP A 96 -1.349 3.731 9.132 1.00 0.93 C ATOM 962 OD1 ASP A 96 -0.584 3.639 8.159 1.00 1.02 O ATOM 963 OD2 ASP A 96 -1.164 3.085 10.188 1.00 1.45 O ATOM 0 H ASP A 96 -2.110 4.393 6.572 1.00 0.59 H new ATOM 0 HA ASP A 96 -3.160 6.543 8.180 1.00 0.69 H new ATOM 0 HB2 ASP A 96 -2.763 5.070 10.024 1.00 0.88 H new ATOM 0 HB3 ASP A 96 -3.414 4.110 8.710 1.00 0.88 H new ATOM 968 N LYS A 97 -0.021 6.398 7.569 1.00 0.43 N ATOM 969 CA LYS A 97 1.272 7.061 7.720 1.00 0.47 C ATOM 970 C LYS A 97 1.948 6.657 9.024 1.00 0.49 C ATOM 971 O LYS A 97 2.379 7.505 9.810 1.00 0.66 O ATOM 972 CB LYS A 97 1.123 8.586 7.631 1.00 0.63 C ATOM 973 CG LYS A 97 0.558 9.059 6.301 1.00 0.67 C ATOM 974 CD LYS A 97 1.363 8.505 5.137 1.00 1.18 C ATOM 975 CE LYS A 97 0.736 8.853 3.799 1.00 1.77 C ATOM 976 NZ LYS A 97 1.416 8.153 2.676 1.00 2.67 N ATOM 0 H LYS A 97 -0.070 5.769 6.767 1.00 0.43 H new ATOM 0 HA LYS A 97 1.909 6.736 6.898 1.00 0.47 H new ATOM 0 HB2 LYS A 97 0.473 8.928 8.436 1.00 0.63 H new ATOM 0 HB3 LYS A 97 2.097 9.049 7.789 1.00 0.63 H new ATOM 0 HG2 LYS A 97 -0.482 8.744 6.211 1.00 0.67 H new ATOM 0 HG3 LYS A 97 0.565 10.148 6.266 1.00 0.67 H new ATOM 0 HD2 LYS A 97 2.378 8.901 5.176 1.00 1.18 H new ATOM 0 HD3 LYS A 97 1.440 7.422 5.231 1.00 1.18 H new ATOM 0 HE2 LYS A 97 -0.320 8.583 3.810 1.00 1.77 H new ATOM 0 HE3 LYS A 97 0.788 9.930 3.642 1.00 1.77 H new ATOM 0 HZ1 LYS A 97 1.130 8.584 1.774 1.00 2.67 H new ATOM 0 HZ2 LYS A 97 2.447 8.237 2.788 1.00 2.67 H new ATOM 0 HZ3 LYS A 97 1.148 7.148 2.680 1.00 2.67 H new ATOM 990 N ASP A 98 2.029 5.351 9.247 1.00 0.46 N ATOM 991 CA ASP A 98 2.734 4.812 10.403 1.00 0.51 C ATOM 992 C ASP A 98 4.178 4.498 10.027 1.00 0.43 C ATOM 993 O ASP A 98 5.043 4.333 10.892 1.00 0.49 O ATOM 994 CB ASP A 98 2.034 3.555 10.932 1.00 0.65 C ATOM 995 CG ASP A 98 2.187 2.350 10.020 1.00 0.56 C ATOM 996 OD1 ASP A 98 1.630 2.363 8.899 1.00 0.70 O ATOM 997 OD2 ASP A 98 2.857 1.383 10.422 1.00 1.13 O ATOM 0 H ASP A 98 1.614 4.644 8.640 1.00 0.46 H new ATOM 0 HA ASP A 98 2.726 5.560 11.195 1.00 0.51 H new ATOM 0 HB2 ASP A 98 2.436 3.311 11.915 1.00 0.65 H new ATOM 0 HB3 ASP A 98 0.973 3.768 11.066 1.00 0.65 H new ATOM 1002 N GLY A 99 4.434 4.431 8.724 1.00 0.40 N ATOM 1003 CA GLY A 99 5.779 4.193 8.241 1.00 0.43 C ATOM 1004 C GLY A 99 6.044 2.726 7.964 1.00 0.35 C ATOM 1005 O GLY A 99 7.130 2.357 7.519 1.00 0.40 O ATOM 0 H GLY A 99 3.730 4.538 7.993 1.00 0.40 H new ATOM 0 HA2 GLY A 99 5.941 4.767 7.329 1.00 0.43 H new ATOM 0 HA3 GLY A 99 6.496 4.556 8.978 1.00 0.43 H new ATOM 1009 N LEU A 100 5.050 1.892 8.233 1.00 0.33 N ATOM 1010 CA LEU A 100 5.147 0.458 8.000 1.00 0.30 C ATOM 1011 C LEU A 100 3.951 -0.001 7.175 1.00 0.31 C ATOM 1012 O LEU A 100 3.073 0.804 6.855 1.00 0.40 O ATOM 1013 CB LEU A 100 5.176 -0.300 9.329 1.00 0.30 C ATOM 1014 CG LEU A 100 6.243 0.144 10.325 1.00 0.33 C ATOM 1015 CD1 LEU A 100 6.072 -0.597 11.642 1.00 0.45 C ATOM 1016 CD2 LEU A 100 7.634 -0.090 9.762 1.00 0.39 C ATOM 0 H LEU A 100 4.154 2.190 8.619 1.00 0.33 H new ATOM 0 HA LEU A 100 6.070 0.249 7.460 1.00 0.30 H new ATOM 0 HB2 LEU A 100 4.200 -0.201 9.803 1.00 0.30 H new ATOM 0 HB3 LEU A 100 5.322 -1.359 9.118 1.00 0.30 H new ATOM 0 HG LEU A 100 6.124 1.212 10.506 1.00 0.33 H new ATOM 0 HD11 LEU A 100 6.839 -0.272 12.345 1.00 0.45 H new ATOM 0 HD12 LEU A 100 5.087 -0.382 12.055 1.00 0.45 H new ATOM 0 HD13 LEU A 100 6.168 -1.669 11.471 1.00 0.45 H new ATOM 0 HD21 LEU A 100 8.380 0.234 10.488 1.00 0.39 H new ATOM 0 HD22 LEU A 100 7.768 -1.151 9.553 1.00 0.39 H new ATOM 0 HD23 LEU A 100 7.754 0.480 8.840 1.00 0.39 H new ATOM 1028 N LEU A 101 3.901 -1.279 6.829 1.00 0.30 N ATOM 1029 CA LEU A 101 2.758 -1.803 6.096 1.00 0.33 C ATOM 1030 C LEU A 101 1.994 -2.812 6.936 1.00 0.29 C ATOM 1031 O LEU A 101 2.514 -3.873 7.290 1.00 0.27 O ATOM 1032 CB LEU A 101 3.173 -2.447 4.770 1.00 0.43 C ATOM 1033 CG LEU A 101 3.765 -1.494 3.730 1.00 0.33 C ATOM 1034 CD1 LEU A 101 4.083 -2.242 2.443 1.00 0.71 C ATOM 1035 CD2 LEU A 101 2.807 -0.343 3.459 1.00 0.43 C ATOM 0 H LEU A 101 4.627 -1.964 7.040 1.00 0.30 H new ATOM 0 HA LEU A 101 2.111 -0.955 5.873 1.00 0.33 H new ATOM 0 HB2 LEU A 101 3.904 -3.228 4.979 1.00 0.43 H new ATOM 0 HB3 LEU A 101 2.301 -2.935 4.335 1.00 0.43 H new ATOM 0 HG LEU A 101 4.694 -1.082 4.125 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.503 -1.549 1.714 1.00 0.71 H new ATOM 0 HD12 LEU A 101 4.804 -3.032 2.650 1.00 0.71 H new ATOM 0 HD13 LEU A 101 3.169 -2.681 2.042 1.00 0.71 H new ATOM 0 HD21 LEU A 101 3.243 0.326 2.717 1.00 0.43 H new ATOM 0 HD22 LEU A 101 1.863 -0.736 3.083 1.00 0.43 H new ATOM 0 HD23 LEU A 101 2.628 0.207 4.383 1.00 0.43 H new ATOM 1047 N ASP A 102 0.772 -2.448 7.285 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.142 -3.346 7.979 1.00 0.35 C ATOM 1049 C ASP A 102 -0.869 -4.220 6.950 1.00 0.31 C ATOM 1050 O ASP A 102 -0.606 -4.094 5.758 1.00 0.28 O ATOM 1051 CB ASP A 102 -1.118 -2.511 8.816 1.00 0.49 C ATOM 1052 CG ASP A 102 -1.870 -3.323 9.845 1.00 0.75 C ATOM 1053 OD1 ASP A 102 -1.340 -3.514 10.955 1.00 1.42 O ATOM 1054 OD2 ASP A 102 -2.983 -3.795 9.534 1.00 1.01 O ATOM 0 H ASP A 102 0.384 -1.524 7.097 1.00 0.33 H new ATOM 0 HA ASP A 102 0.400 -4.009 8.653 1.00 0.35 H new ATOM 0 HB2 ASP A 102 -0.566 -1.718 9.321 1.00 0.49 H new ATOM 0 HB3 ASP A 102 -1.834 -2.027 8.151 1.00 0.49 H new ATOM 1059 N ASP A 103 -1.786 -5.081 7.391 1.00 0.36 N ATOM 1060 CA ASP A 103 -2.378 -6.090 6.499 1.00 0.37 C ATOM 1061 C ASP A 103 -3.234 -5.447 5.406 1.00 0.34 C ATOM 1062 O ASP A 103 -3.218 -5.891 4.256 1.00 0.36 O ATOM 1063 CB ASP A 103 -3.211 -7.093 7.315 1.00 0.49 C ATOM 1064 CG ASP A 103 -3.911 -8.144 6.461 1.00 0.72 C ATOM 1065 OD1 ASP A 103 -3.302 -8.618 5.480 1.00 1.73 O ATOM 1066 OD2 ASP A 103 -5.068 -8.496 6.753 1.00 0.92 O ATOM 0 H ASP A 103 -2.135 -5.105 8.349 1.00 0.36 H new ATOM 0 HA ASP A 103 -1.563 -6.620 6.006 1.00 0.37 H new ATOM 0 HB2 ASP A 103 -2.560 -7.594 8.032 1.00 0.49 H new ATOM 0 HB3 ASP A 103 -3.959 -6.548 7.890 1.00 0.49 H new ATOM 1071 N GLU A 104 -3.927 -4.363 5.740 1.00 0.33 N ATOM 1072 CA GLU A 104 -4.732 -3.651 4.751 1.00 0.37 C ATOM 1073 C GLU A 104 -3.834 -2.907 3.774 1.00 0.29 C ATOM 1074 O GLU A 104 -4.055 -2.926 2.561 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.690 -2.654 5.417 1.00 0.50 C ATOM 1076 CG GLU A 104 -6.849 -3.295 6.167 1.00 0.89 C ATOM 1077 CD GLU A 104 -6.459 -3.806 7.534 1.00 1.08 C ATOM 1078 OE1 GLU A 104 -6.473 -3.021 8.498 1.00 1.50 O ATOM 1079 OE2 GLU A 104 -6.118 -5.000 7.641 1.00 1.53 O ATOM 0 H GLU A 104 -3.949 -3.961 6.677 1.00 0.33 H new ATOM 0 HA GLU A 104 -5.323 -4.394 4.216 1.00 0.37 H new ATOM 0 HB2 GLU A 104 -5.123 -2.034 6.112 1.00 0.50 H new ATOM 0 HB3 GLU A 104 -6.092 -1.990 4.652 1.00 0.50 H new ATOM 0 HG2 GLU A 104 -7.653 -2.566 6.274 1.00 0.89 H new ATOM 0 HG3 GLU A 104 -7.244 -4.121 5.576 1.00 0.89 H new ATOM 1086 N GLU A 105 -2.805 -2.277 4.318 1.00 0.27 N ATOM 1087 CA GLU A 105 -1.904 -1.448 3.534 1.00 0.26 C ATOM 1088 C GLU A 105 -1.086 -2.298 2.574 1.00 0.22 C ATOM 1089 O GLU A 105 -0.946 -1.974 1.396 1.00 0.22 O ATOM 1090 CB GLU A 105 -0.977 -0.661 4.464 1.00 0.36 C ATOM 1091 CG GLU A 105 -1.713 0.030 5.603 1.00 0.75 C ATOM 1092 CD GLU A 105 -0.876 1.081 6.296 1.00 0.69 C ATOM 1093 OE1 GLU A 105 -0.038 0.726 7.131 1.00 0.76 O ATOM 1094 OE2 GLU A 105 -1.032 2.284 6.009 1.00 0.82 O ATOM 0 H GLU A 105 -2.572 -2.325 5.310 1.00 0.27 H new ATOM 0 HA GLU A 105 -2.500 -0.748 2.948 1.00 0.26 H new ATOM 0 HB2 GLU A 105 -0.231 -1.338 4.880 1.00 0.36 H new ATOM 0 HB3 GLU A 105 -0.439 0.087 3.882 1.00 0.36 H new ATOM 0 HG2 GLU A 105 -2.619 0.494 5.214 1.00 0.75 H new ATOM 0 HG3 GLU A 105 -2.025 -0.717 6.333 1.00 0.75 H new ATOM 1101 N PHE A 106 -0.563 -3.401 3.078 1.00 0.24 N ATOM 1102 CA PHE A 106 0.261 -4.287 2.279 1.00 0.26 C ATOM 1103 C PHE A 106 -0.570 -4.987 1.212 1.00 0.29 C ATOM 1104 O PHE A 106 -0.102 -5.207 0.096 1.00 0.31 O ATOM 1105 CB PHE A 106 0.952 -5.308 3.176 1.00 0.28 C ATOM 1106 CG PHE A 106 1.801 -6.291 2.425 1.00 0.26 C ATOM 1107 CD1 PHE A 106 2.993 -5.897 1.837 1.00 0.26 C ATOM 1108 CD2 PHE A 106 1.407 -7.611 2.307 1.00 0.35 C ATOM 1109 CE1 PHE A 106 3.770 -6.804 1.142 1.00 0.26 C ATOM 1110 CE2 PHE A 106 2.180 -8.517 1.615 1.00 0.37 C ATOM 1111 CZ PHE A 106 3.362 -8.115 1.035 1.00 0.28 C ATOM 0 H PHE A 106 -0.696 -3.705 4.043 1.00 0.24 H new ATOM 0 HA PHE A 106 1.021 -3.691 1.774 1.00 0.26 H new ATOM 0 HB2 PHE A 106 1.575 -4.781 3.899 1.00 0.28 H new ATOM 0 HB3 PHE A 106 0.196 -5.852 3.742 1.00 0.28 H new ATOM 0 HD1 PHE A 106 3.318 -4.871 1.923 1.00 0.26 H new ATOM 0 HD2 PHE A 106 0.483 -7.935 2.762 1.00 0.35 H new ATOM 0 HE1 PHE A 106 4.695 -6.486 0.684 1.00 0.26 H new ATOM 0 HE2 PHE A 106 1.858 -9.544 1.527 1.00 0.37 H new ATOM 0 HZ PHE A 106 3.969 -8.827 0.496 1.00 0.28 H new ATOM 1121 N ALA A 107 -1.803 -5.330 1.555 1.00 0.35 N ATOM 1122 CA ALA A 107 -2.704 -5.941 0.590 1.00 0.41 C ATOM 1123 C ALA A 107 -2.982 -4.981 -0.559 1.00 0.38 C ATOM 1124 O ALA A 107 -3.018 -5.382 -1.725 1.00 0.40 O ATOM 1125 CB ALA A 107 -4.000 -6.361 1.264 1.00 0.50 C ATOM 0 H ALA A 107 -2.199 -5.197 2.485 1.00 0.35 H new ATOM 0 HA ALA A 107 -2.225 -6.832 0.184 1.00 0.41 H new ATOM 0 HB1 ALA A 107 -4.662 -6.816 0.528 1.00 0.50 H new ATOM 0 HB2 ALA A 107 -3.783 -7.082 2.052 1.00 0.50 H new ATOM 0 HB3 ALA A 107 -4.485 -5.486 1.697 1.00 0.50 H new ATOM 1131 N LEU A 108 -3.164 -3.712 -0.225 1.00 0.34 N ATOM 1132 CA LEU A 108 -3.340 -2.682 -1.234 1.00 0.34 C ATOM 1133 C LEU A 108 -2.061 -2.494 -2.033 1.00 0.27 C ATOM 1134 O LEU A 108 -2.110 -2.261 -3.241 1.00 0.27 O ATOM 1135 CB LEU A 108 -3.769 -1.368 -0.584 1.00 0.40 C ATOM 1136 CG LEU A 108 -5.279 -1.220 -0.414 1.00 0.61 C ATOM 1137 CD1 LEU A 108 -5.606 -0.170 0.632 1.00 1.23 C ATOM 1138 CD2 LEU A 108 -5.915 -0.860 -1.746 1.00 1.32 C ATOM 0 H LEU A 108 -3.193 -3.373 0.736 1.00 0.34 H new ATOM 0 HA LEU A 108 -4.126 -2.999 -1.919 1.00 0.34 H new ATOM 0 HB2 LEU A 108 -3.295 -1.287 0.394 1.00 0.40 H new ATOM 0 HB3 LEU A 108 -3.399 -0.539 -1.187 1.00 0.40 H new ATOM 0 HG LEU A 108 -5.685 -2.172 -0.072 1.00 0.61 H new ATOM 0 HD11 LEU A 108 -6.688 -0.083 0.735 1.00 1.23 H new ATOM 0 HD12 LEU A 108 -5.173 -0.462 1.589 1.00 1.23 H new ATOM 0 HD13 LEU A 108 -5.192 0.791 0.325 1.00 1.23 H new ATOM 0 HD21 LEU A 108 -6.992 -0.756 -1.618 1.00 1.32 H new ATOM 0 HD22 LEU A 108 -5.499 0.082 -2.105 1.00 1.32 H new ATOM 0 HD23 LEU A 108 -5.710 -1.647 -2.472 1.00 1.32 H new ATOM 1150 N ALA A 109 -0.922 -2.616 -1.357 1.00 0.23 N ATOM 1151 CA ALA A 109 0.376 -2.560 -2.022 1.00 0.24 C ATOM 1152 C ALA A 109 0.471 -3.636 -3.095 1.00 0.26 C ATOM 1153 O ALA A 109 0.769 -3.339 -4.252 1.00 0.26 O ATOM 1154 CB ALA A 109 1.517 -2.708 -1.022 1.00 0.26 C ATOM 0 H ALA A 109 -0.872 -2.754 -0.348 1.00 0.23 H new ATOM 0 HA ALA A 109 0.467 -1.582 -2.495 1.00 0.24 H new ATOM 0 HB1 ALA A 109 2.470 -2.662 -1.548 1.00 0.26 H new ATOM 0 HB2 ALA A 109 1.467 -1.901 -0.291 1.00 0.26 H new ATOM 0 HB3 ALA A 109 1.431 -3.667 -0.511 1.00 0.26 H new ATOM 1160 N ASN A 110 0.185 -4.885 -2.717 1.00 0.31 N ATOM 1161 CA ASN A 110 0.217 -5.996 -3.667 1.00 0.37 C ATOM 1162 C ASN A 110 -0.793 -5.780 -4.777 1.00 0.35 C ATOM 1163 O ASN A 110 -0.516 -6.064 -5.943 1.00 0.38 O ATOM 1164 CB ASN A 110 -0.069 -7.329 -2.970 1.00 0.45 C ATOM 1165 CG ASN A 110 1.052 -7.776 -2.055 1.00 0.52 C ATOM 1166 OD1 ASN A 110 0.816 -8.467 -1.069 1.00 1.36 O ATOM 1167 ND2 ASN A 110 2.281 -7.400 -2.380 1.00 0.83 N ATOM 0 H ASN A 110 -0.070 -5.149 -1.765 1.00 0.31 H new ATOM 0 HA ASN A 110 1.219 -6.032 -4.094 1.00 0.37 H new ATOM 0 HB2 ASN A 110 -0.988 -7.239 -2.391 1.00 0.45 H new ATOM 0 HB3 ASN A 110 -0.241 -8.097 -3.724 1.00 0.45 H new ATOM 0 HD21 ASN A 110 3.071 -7.686 -1.802 1.00 0.83 H new ATOM 0 HD22 ASN A 110 2.436 -6.825 -3.208 1.00 0.83 H new ATOM 1174 N HIS A 111 -1.962 -5.267 -4.413 1.00 0.35 N ATOM 1175 CA HIS A 111 -3.010 -4.998 -5.386 1.00 0.37 C ATOM 1176 C HIS A 111 -2.529 -4.007 -6.440 1.00 0.31 C ATOM 1177 O HIS A 111 -2.711 -4.232 -7.632 1.00 0.36 O ATOM 1178 CB HIS A 111 -4.276 -4.459 -4.717 1.00 0.48 C ATOM 1179 CG HIS A 111 -5.406 -4.281 -5.691 1.00 0.53 C ATOM 1180 ND1 HIS A 111 -6.091 -5.340 -6.248 1.00 0.60 N ATOM 1181 CD2 HIS A 111 -5.945 -3.161 -6.232 1.00 0.57 C ATOM 1182 CE1 HIS A 111 -7.001 -4.880 -7.091 1.00 0.67 C ATOM 1183 NE2 HIS A 111 -6.933 -3.560 -7.101 1.00 0.66 N ATOM 0 H HIS A 111 -2.207 -5.030 -3.452 1.00 0.35 H new ATOM 0 HA HIS A 111 -3.251 -5.946 -5.867 1.00 0.37 H new ATOM 0 HB2 HIS A 111 -4.585 -5.143 -3.927 1.00 0.48 H new ATOM 0 HB3 HIS A 111 -4.054 -3.503 -4.243 1.00 0.48 H new ATOM 0 HD2 HIS A 111 -5.652 -2.143 -6.020 1.00 0.57 H new ATOM 0 HE1 HIS A 111 -7.684 -5.481 -7.673 1.00 0.67 H new ATOM 0 HE2 HIS A 111 -7.517 -2.939 -7.661 1.00 0.66 H new ATOM 1192 N LEU A 112 -1.921 -2.917 -5.990 1.00 0.25 N ATOM 1193 CA LEU A 112 -1.448 -1.869 -6.890 1.00 0.24 C ATOM 1194 C LEU A 112 -0.340 -2.388 -7.805 1.00 0.25 C ATOM 1195 O LEU A 112 -0.316 -2.086 -9.001 1.00 0.29 O ATOM 1196 CB LEU A 112 -0.956 -0.664 -6.088 1.00 0.25 C ATOM 1197 CG LEU A 112 -2.037 0.071 -5.289 1.00 0.33 C ATOM 1198 CD1 LEU A 112 -1.417 1.156 -4.423 1.00 0.89 C ATOM 1199 CD2 LEU A 112 -3.077 0.671 -6.225 1.00 0.57 C ATOM 0 H LEU A 112 -1.742 -2.734 -5.003 1.00 0.25 H new ATOM 0 HA LEU A 112 -2.284 -1.558 -7.517 1.00 0.24 H new ATOM 0 HB2 LEU A 112 -0.181 -0.998 -5.398 1.00 0.25 H new ATOM 0 HB3 LEU A 112 -0.489 0.043 -6.774 1.00 0.25 H new ATOM 0 HG LEU A 112 -2.531 -0.650 -4.638 1.00 0.33 H new ATOM 0 HD11 LEU A 112 -2.200 1.667 -3.863 1.00 0.89 H new ATOM 0 HD12 LEU A 112 -0.709 0.706 -3.727 1.00 0.89 H new ATOM 0 HD13 LEU A 112 -0.897 1.874 -5.057 1.00 0.89 H new ATOM 0 HD21 LEU A 112 -3.837 1.189 -5.640 1.00 0.57 H new ATOM 0 HD22 LEU A 112 -2.594 1.378 -6.900 1.00 0.57 H new ATOM 0 HD23 LEU A 112 -3.545 -0.124 -6.806 1.00 0.57 H new ATOM 1211 N ILE A 113 0.572 -3.172 -7.242 1.00 0.27 N ATOM 1212 CA ILE A 113 1.626 -3.803 -8.024 1.00 0.34 C ATOM 1213 C ILE A 113 1.008 -4.722 -9.074 1.00 0.37 C ATOM 1214 O ILE A 113 1.450 -4.763 -10.226 1.00 0.43 O ATOM 1215 CB ILE A 113 2.583 -4.607 -7.120 1.00 0.38 C ATOM 1216 CG1 ILE A 113 3.239 -3.673 -6.098 1.00 0.35 C ATOM 1217 CG2 ILE A 113 3.643 -5.317 -7.955 1.00 0.46 C ATOM 1218 CD1 ILE A 113 4.086 -4.387 -5.068 1.00 0.38 C ATOM 0 H ILE A 113 0.602 -3.386 -6.245 1.00 0.27 H new ATOM 0 HA ILE A 113 2.202 -3.020 -8.517 1.00 0.34 H new ATOM 0 HB ILE A 113 2.009 -5.366 -6.588 1.00 0.38 H new ATOM 0 HG12 ILE A 113 3.861 -2.951 -6.627 1.00 0.35 H new ATOM 0 HG13 ILE A 113 2.461 -3.108 -5.585 1.00 0.35 H new ATOM 0 HG21 ILE A 113 4.308 -5.878 -7.298 1.00 0.46 H new ATOM 0 HG22 ILE A 113 3.159 -6.001 -8.652 1.00 0.46 H new ATOM 0 HG23 ILE A 113 4.221 -4.580 -8.512 1.00 0.46 H new ATOM 0 HD11 ILE A 113 4.515 -3.658 -4.381 1.00 0.38 H new ATOM 0 HD12 ILE A 113 3.466 -5.089 -4.511 1.00 0.38 H new ATOM 0 HD13 ILE A 113 4.888 -4.929 -5.569 1.00 0.38 H new ATOM 1230 N LYS A 114 -0.034 -5.440 -8.670 1.00 0.36 N ATOM 1231 CA LYS A 114 -0.793 -6.271 -9.593 1.00 0.42 C ATOM 1232 C LYS A 114 -1.378 -5.422 -10.715 1.00 0.36 C ATOM 1233 O LYS A 114 -1.336 -5.823 -11.868 1.00 0.39 O ATOM 1234 CB LYS A 114 -1.914 -7.026 -8.870 1.00 0.52 C ATOM 1235 CG LYS A 114 -2.849 -7.769 -9.812 1.00 0.64 C ATOM 1236 CD LYS A 114 -3.928 -8.515 -9.052 1.00 0.93 C ATOM 1237 CE LYS A 114 -5.032 -8.996 -9.981 1.00 1.55 C ATOM 1238 NZ LYS A 114 -4.526 -9.852 -11.089 1.00 2.07 N ATOM 0 H LYS A 114 -0.372 -5.462 -7.708 1.00 0.36 H new ATOM 0 HA LYS A 114 -0.108 -7.004 -10.019 1.00 0.42 H new ATOM 0 HB2 LYS A 114 -1.471 -7.738 -8.173 1.00 0.52 H new ATOM 0 HB3 LYS A 114 -2.494 -6.319 -8.277 1.00 0.52 H new ATOM 0 HG2 LYS A 114 -3.311 -7.061 -10.500 1.00 0.64 H new ATOM 0 HG3 LYS A 114 -2.275 -8.472 -10.415 1.00 0.64 H new ATOM 0 HD2 LYS A 114 -3.488 -9.368 -8.536 1.00 0.93 H new ATOM 0 HD3 LYS A 114 -4.352 -7.864 -8.287 1.00 0.93 H new ATOM 0 HE2 LYS A 114 -5.768 -9.556 -9.403 1.00 1.55 H new ATOM 0 HE3 LYS A 114 -5.547 -8.133 -10.402 1.00 1.55 H new ATOM 0 HZ1 LYS A 114 -5.322 -10.150 -11.689 1.00 2.07 H new ATOM 0 HZ2 LYS A 114 -3.844 -9.313 -11.660 1.00 2.07 H new ATOM 0 HZ3 LYS A 114 -4.058 -10.692 -10.693 1.00 2.07 H new ATOM 1252 N VAL A 115 -1.905 -4.243 -10.374 1.00 0.33 N ATOM 1253 CA VAL A 115 -2.466 -3.336 -11.379 1.00 0.37 C ATOM 1254 C VAL A 115 -1.417 -3.009 -12.433 1.00 0.40 C ATOM 1255 O VAL A 115 -1.720 -2.943 -13.627 1.00 0.43 O ATOM 1256 CB VAL A 115 -2.985 -2.013 -10.770 1.00 0.41 C ATOM 1257 CG1 VAL A 115 -3.702 -1.182 -11.821 1.00 0.50 C ATOM 1258 CG2 VAL A 115 -3.906 -2.268 -9.590 1.00 0.46 C ATOM 0 H VAL A 115 -1.955 -3.896 -9.416 1.00 0.33 H new ATOM 0 HA VAL A 115 -3.314 -3.856 -11.825 1.00 0.37 H new ATOM 0 HB VAL A 115 -2.119 -1.457 -10.410 1.00 0.41 H new ATOM 0 HG11 VAL A 115 -4.059 -0.256 -11.371 1.00 0.50 H new ATOM 0 HG12 VAL A 115 -3.013 -0.949 -12.633 1.00 0.50 H new ATOM 0 HG13 VAL A 115 -4.549 -1.744 -12.214 1.00 0.50 H new ATOM 0 HG21 VAL A 115 -4.252 -1.317 -9.186 1.00 0.46 H new ATOM 0 HG22 VAL A 115 -4.763 -2.856 -9.918 1.00 0.46 H new ATOM 0 HG23 VAL A 115 -3.365 -2.814 -8.818 1.00 0.46 H new ATOM 1268 N LYS A 116 -0.179 -2.808 -11.986 1.00 0.44 N ATOM 1269 CA LYS A 116 0.927 -2.581 -12.907 1.00 0.54 C ATOM 1270 C LYS A 116 1.096 -3.787 -13.822 1.00 0.59 C ATOM 1271 O LYS A 116 1.232 -3.643 -15.038 1.00 0.72 O ATOM 1272 CB LYS A 116 2.236 -2.327 -12.153 1.00 0.60 C ATOM 1273 CG LYS A 116 2.179 -1.172 -11.164 1.00 0.93 C ATOM 1274 CD LYS A 116 1.744 0.143 -11.806 1.00 1.13 C ATOM 1275 CE LYS A 116 2.738 0.666 -12.835 1.00 0.85 C ATOM 1276 NZ LYS A 116 2.573 0.028 -14.169 1.00 1.25 N ATOM 0 H LYS A 116 0.080 -2.798 -10.999 1.00 0.44 H new ATOM 0 HA LYS A 116 0.693 -1.696 -13.500 1.00 0.54 H new ATOM 0 HB2 LYS A 116 2.514 -3.235 -11.617 1.00 0.60 H new ATOM 0 HB3 LYS A 116 3.026 -2.130 -12.878 1.00 0.60 H new ATOM 0 HG2 LYS A 116 1.487 -1.423 -10.360 1.00 0.93 H new ATOM 0 HG3 LYS A 116 3.161 -1.041 -10.710 1.00 0.93 H new ATOM 0 HD2 LYS A 116 0.775 0.003 -12.285 1.00 1.13 H new ATOM 0 HD3 LYS A 116 1.609 0.893 -11.027 1.00 1.13 H new ATOM 0 HE2 LYS A 116 2.617 1.745 -12.935 1.00 0.85 H new ATOM 0 HE3 LYS A 116 3.752 0.491 -12.476 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 2.920 0.673 -14.907 1.00 1.25 H new ATOM 0 HZ2 LYS A 116 3.116 -0.858 -14.200 1.00 1.25 H new ATOM 0 HZ3 LYS A 116 1.567 -0.177 -14.334 1.00 1.25 H new ATOM 1290 N LEU A 117 1.055 -4.972 -13.222 1.00 0.52 N ATOM 1291 CA LEU A 117 1.222 -6.224 -13.955 1.00 0.60 C ATOM 1292 C LEU A 117 0.040 -6.476 -14.887 1.00 0.54 C ATOM 1293 O LEU A 117 0.166 -7.187 -15.885 1.00 0.63 O ATOM 1294 CB LEU A 117 1.373 -7.394 -12.979 1.00 0.66 C ATOM 1295 CG LEU A 117 2.545 -7.280 -12.001 1.00 0.79 C ATOM 1296 CD1 LEU A 117 2.519 -8.427 -11.003 1.00 0.91 C ATOM 1297 CD2 LEU A 117 3.870 -7.255 -12.751 1.00 0.94 C ATOM 0 H LEU A 117 0.906 -5.093 -12.220 1.00 0.52 H new ATOM 0 HA LEU A 117 2.125 -6.142 -14.559 1.00 0.60 H new ATOM 0 HB2 LEU A 117 0.451 -7.490 -12.406 1.00 0.66 H new ATOM 0 HB3 LEU A 117 1.488 -8.313 -13.554 1.00 0.66 H new ATOM 0 HG LEU A 117 2.444 -6.343 -11.453 1.00 0.79 H new ATOM 0 HD11 LEU A 117 3.359 -8.330 -10.315 1.00 0.91 H new ATOM 0 HD12 LEU A 117 1.585 -8.399 -10.441 1.00 0.91 H new ATOM 0 HD13 LEU A 117 2.594 -9.375 -11.536 1.00 0.91 H new ATOM 0 HD21 LEU A 117 4.690 -7.174 -12.038 1.00 0.94 H new ATOM 0 HD22 LEU A 117 3.980 -8.174 -13.327 1.00 0.94 H new ATOM 0 HD23 LEU A 117 3.890 -6.399 -13.426 1.00 0.94 H new ATOM 1309 N GLU A 118 -1.110 -5.901 -14.550 1.00 0.44 N ATOM 1310 CA GLU A 118 -2.299 -5.997 -15.395 1.00 0.46 C ATOM 1311 C GLU A 118 -2.121 -5.166 -16.663 1.00 0.49 C ATOM 1312 O GLU A 118 -2.785 -5.404 -17.671 1.00 0.54 O ATOM 1313 CB GLU A 118 -3.554 -5.517 -14.650 1.00 0.51 C ATOM 1314 CG GLU A 118 -3.870 -6.287 -13.375 1.00 0.63 C ATOM 1315 CD GLU A 118 -4.152 -7.754 -13.619 1.00 0.90 C ATOM 1316 OE1 GLU A 118 -5.203 -8.069 -14.210 1.00 1.17 O ATOM 1317 OE2 GLU A 118 -3.335 -8.601 -13.197 1.00 1.65 O ATOM 0 H GLU A 118 -1.246 -5.362 -13.695 1.00 0.44 H new ATOM 0 HA GLU A 118 -2.428 -7.047 -15.659 1.00 0.46 H new ATOM 0 HB2 GLU A 118 -3.431 -4.463 -14.401 1.00 0.51 H new ATOM 0 HB3 GLU A 118 -4.409 -5.588 -15.323 1.00 0.51 H new ATOM 0 HG2 GLU A 118 -3.031 -6.195 -12.685 1.00 0.63 H new ATOM 0 HG3 GLU A 118 -4.734 -5.833 -12.889 1.00 0.63 H new ATOM 1324 N GLY A 119 -1.217 -4.196 -16.603 1.00 0.55 N ATOM 1325 CA GLY A 119 -0.976 -3.329 -17.739 1.00 0.66 C ATOM 1326 C GLY A 119 -1.432 -1.910 -17.487 1.00 0.63 C ATOM 1327 O GLY A 119 -1.521 -1.101 -18.411 1.00 0.80 O ATOM 0 H GLY A 119 -0.644 -3.994 -15.783 1.00 0.55 H new ATOM 0 HA2 GLY A 119 0.088 -3.330 -17.974 1.00 0.66 H new ATOM 0 HA3 GLY A 119 -1.495 -3.725 -18.612 1.00 0.66 H new ATOM 1331 N HIS A 120 -1.728 -1.603 -16.236 1.00 0.58 N ATOM 1332 CA HIS A 120 -2.220 -0.282 -15.870 1.00 0.62 C ATOM 1333 C HIS A 120 -1.285 0.344 -14.850 1.00 0.57 C ATOM 1334 O HIS A 120 -0.271 -0.254 -14.481 1.00 0.57 O ATOM 1335 CB HIS A 120 -3.636 -0.367 -15.287 1.00 0.66 C ATOM 1336 CG HIS A 120 -4.611 -1.120 -16.140 1.00 0.71 C ATOM 1337 ND1 HIS A 120 -5.587 -0.513 -16.896 1.00 0.94 N ATOM 1338 CD2 HIS A 120 -4.746 -2.448 -16.355 1.00 0.78 C ATOM 1339 CE1 HIS A 120 -6.275 -1.434 -17.542 1.00 1.06 C ATOM 1340 NE2 HIS A 120 -5.783 -2.620 -17.237 1.00 0.95 N ATOM 0 H HIS A 120 -1.637 -2.251 -15.453 1.00 0.58 H new ATOM 0 HA HIS A 120 -2.254 0.335 -16.768 1.00 0.62 H new ATOM 0 HB2 HIS A 120 -3.585 -0.843 -14.308 1.00 0.66 H new ATOM 0 HB3 HIS A 120 -4.013 0.644 -15.131 1.00 0.66 H new ATOM 0 HD2 HIS A 120 -4.147 -3.231 -15.913 1.00 0.78 H new ATOM 0 HE1 HIS A 120 -7.103 -1.249 -18.210 1.00 1.06 H new ATOM 0 HE2 HIS A 120 -6.117 -3.514 -17.596 1.00 0.95 H new ATOM 1349 N GLU A 121 -1.604 1.549 -14.404 1.00 0.64 N ATOM 1350 CA GLU A 121 -0.845 2.187 -13.350 1.00 0.69 C ATOM 1351 C GLU A 121 -1.788 2.924 -12.397 1.00 0.65 C ATOM 1352 O GLU A 121 -2.932 3.217 -12.745 1.00 0.72 O ATOM 1353 CB GLU A 121 0.213 3.120 -13.955 1.00 0.89 C ATOM 1354 CG GLU A 121 -0.225 4.559 -14.156 1.00 1.75 C ATOM 1355 CD GLU A 121 0.361 5.481 -13.104 1.00 2.84 C ATOM 1356 OE1 GLU A 121 1.443 5.172 -12.570 1.00 3.29 O ATOM 1357 OE2 GLU A 121 -0.255 6.534 -12.816 1.00 3.60 O ATOM 0 H GLU A 121 -2.385 2.102 -14.758 1.00 0.64 H new ATOM 0 HA GLU A 121 -0.319 1.431 -12.768 1.00 0.69 H new ATOM 0 HB2 GLU A 121 1.091 3.112 -13.309 1.00 0.89 H new ATOM 0 HB3 GLU A 121 0.522 2.714 -14.918 1.00 0.89 H new ATOM 0 HG2 GLU A 121 0.081 4.897 -15.146 1.00 1.75 H new ATOM 0 HG3 GLU A 121 -1.313 4.615 -14.123 1.00 1.75 H new ATOM 1364 N LEU A 122 -1.312 3.203 -11.197 1.00 0.71 N ATOM 1365 CA LEU A 122 -2.125 3.857 -10.181 1.00 0.72 C ATOM 1366 C LEU A 122 -1.929 5.370 -10.241 1.00 0.76 C ATOM 1367 O LEU A 122 -0.807 5.858 -10.111 1.00 0.88 O ATOM 1368 CB LEU A 122 -1.790 3.317 -8.784 1.00 0.80 C ATOM 1369 CG LEU A 122 -0.322 2.955 -8.553 1.00 0.79 C ATOM 1370 CD1 LEU A 122 0.042 3.144 -7.093 1.00 1.51 C ATOM 1371 CD2 LEU A 122 -0.068 1.512 -8.970 1.00 0.97 C ATOM 0 H LEU A 122 -0.361 2.986 -10.899 1.00 0.71 H new ATOM 0 HA LEU A 122 -3.173 3.637 -10.382 1.00 0.72 H new ATOM 0 HB2 LEU A 122 -2.083 4.063 -8.045 1.00 0.80 H new ATOM 0 HB3 LEU A 122 -2.398 2.431 -8.601 1.00 0.80 H new ATOM 0 HG LEU A 122 0.300 3.614 -9.158 1.00 0.79 H new ATOM 0 HD11 LEU A 122 1.089 2.883 -6.942 1.00 1.51 H new ATOM 0 HD12 LEU A 122 -0.117 4.185 -6.810 1.00 1.51 H new ATOM 0 HD13 LEU A 122 -0.585 2.501 -6.476 1.00 1.51 H new ATOM 0 HD21 LEU A 122 0.980 1.264 -8.802 1.00 0.97 H new ATOM 0 HD22 LEU A 122 -0.698 0.846 -8.380 1.00 0.97 H new ATOM 0 HD23 LEU A 122 -0.304 1.392 -10.027 1.00 0.97 H new ATOM 1383 N PRO A 123 -3.030 6.125 -10.405 1.00 0.79 N ATOM 1384 CA PRO A 123 -3.001 7.574 -10.704 1.00 0.89 C ATOM 1385 C PRO A 123 -2.530 8.446 -9.539 1.00 0.80 C ATOM 1386 O PRO A 123 -2.721 9.661 -9.560 1.00 0.89 O ATOM 1387 CB PRO A 123 -4.467 7.887 -11.018 1.00 1.01 C ATOM 1388 CG PRO A 123 -5.232 6.871 -10.246 1.00 0.93 C ATOM 1389 CD PRO A 123 -4.411 5.618 -10.310 1.00 0.83 C ATOM 0 HA PRO A 123 -2.295 7.790 -11.505 1.00 0.89 H new ATOM 0 HB2 PRO A 123 -4.732 8.900 -10.714 1.00 1.01 H new ATOM 0 HB3 PRO A 123 -4.670 7.811 -12.086 1.00 1.01 H new ATOM 0 HG2 PRO A 123 -5.380 7.191 -9.215 1.00 0.93 H new ATOM 0 HG3 PRO A 123 -6.221 6.714 -10.676 1.00 0.93 H new ATOM 0 HD2 PRO A 123 -4.552 4.998 -9.425 1.00 0.83 H new ATOM 0 HD3 PRO A 123 -4.676 5.007 -11.173 1.00 0.83 H new ATOM 1397 N ALA A 124 -1.914 7.820 -8.540 1.00 0.67 N ATOM 1398 CA ALA A 124 -1.458 8.502 -7.329 1.00 0.67 C ATOM 1399 C ALA A 124 -2.649 9.000 -6.516 1.00 0.62 C ATOM 1400 O ALA A 124 -2.513 9.843 -5.632 1.00 0.71 O ATOM 1401 CB ALA A 124 -0.503 9.648 -7.666 1.00 0.87 C ATOM 0 H ALA A 124 -1.715 6.820 -8.546 1.00 0.67 H new ATOM 0 HA ALA A 124 -0.907 7.784 -6.722 1.00 0.67 H new ATOM 0 HB1 ALA A 124 -0.181 10.136 -6.746 1.00 0.87 H new ATOM 0 HB2 ALA A 124 0.367 9.254 -8.191 1.00 0.87 H new ATOM 0 HB3 ALA A 124 -1.013 10.372 -8.301 1.00 0.87 H new ATOM 1407 N ASP A 125 -3.810 8.432 -6.804 1.00 0.57 N ATOM 1408 CA ASP A 125 -5.024 8.736 -6.068 1.00 0.57 C ATOM 1409 C ASP A 125 -5.539 7.480 -5.403 1.00 0.50 C ATOM 1410 O ASP A 125 -5.357 6.380 -5.926 1.00 0.56 O ATOM 1411 CB ASP A 125 -6.121 9.284 -6.991 1.00 0.68 C ATOM 1412 CG ASP A 125 -5.835 10.670 -7.529 1.00 1.13 C ATOM 1413 OD1 ASP A 125 -6.076 11.658 -6.804 1.00 1.35 O ATOM 1414 OD2 ASP A 125 -5.407 10.775 -8.696 1.00 1.94 O ATOM 0 H ASP A 125 -3.935 7.750 -7.552 1.00 0.57 H new ATOM 0 HA ASP A 125 -4.780 9.495 -5.325 1.00 0.57 H new ATOM 0 HB2 ASP A 125 -6.252 8.600 -7.829 1.00 0.68 H new ATOM 0 HB3 ASP A 125 -7.064 9.304 -6.445 1.00 0.68 H new ATOM 1419 N LEU A 126 -6.159 7.635 -4.249 1.00 0.45 N ATOM 1420 CA LEU A 126 -6.841 6.527 -3.605 1.00 0.48 C ATOM 1421 C LEU A 126 -8.344 6.621 -3.836 1.00 0.51 C ATOM 1422 O LEU A 126 -9.033 7.374 -3.147 1.00 0.56 O ATOM 1423 CB LEU A 126 -6.546 6.508 -2.103 1.00 0.54 C ATOM 1424 CG LEU A 126 -5.102 6.184 -1.734 1.00 0.54 C ATOM 1425 CD1 LEU A 126 -4.892 6.326 -0.236 1.00 0.67 C ATOM 1426 CD2 LEU A 126 -4.743 4.779 -2.200 1.00 0.56 C ATOM 0 H LEU A 126 -6.205 8.516 -3.738 1.00 0.45 H new ATOM 0 HA LEU A 126 -6.472 5.601 -4.045 1.00 0.48 H new ATOM 0 HB2 LEU A 126 -6.802 7.482 -1.685 1.00 0.54 H new ATOM 0 HB3 LEU A 126 -7.199 5.776 -1.629 1.00 0.54 H new ATOM 0 HG LEU A 126 -4.444 6.892 -2.237 1.00 0.54 H new ATOM 0 HD11 LEU A 126 -3.856 6.091 0.010 1.00 0.67 H new ATOM 0 HD12 LEU A 126 -5.114 7.349 0.067 1.00 0.67 H new ATOM 0 HD13 LEU A 126 -5.555 5.640 0.291 1.00 0.67 H new ATOM 0 HD21 LEU A 126 -3.710 4.559 -1.931 1.00 0.56 H new ATOM 0 HD22 LEU A 126 -5.404 4.057 -1.721 1.00 0.56 H new ATOM 0 HD23 LEU A 126 -4.858 4.714 -3.282 1.00 0.56 H new ATOM 1438 N PRO A 127 -8.867 5.883 -4.829 1.00 0.55 N ATOM 1439 CA PRO A 127 -10.304 5.849 -5.102 1.00 0.61 C ATOM 1440 C PRO A 127 -11.077 5.210 -3.947 1.00 0.50 C ATOM 1441 O PRO A 127 -10.560 4.325 -3.268 1.00 0.46 O ATOM 1442 CB PRO A 127 -10.418 4.999 -6.372 1.00 0.75 C ATOM 1443 CG PRO A 127 -9.164 4.208 -6.434 1.00 0.72 C ATOM 1444 CD PRO A 127 -8.105 5.033 -5.761 1.00 0.63 C ATOM 0 HA PRO A 127 -10.727 6.847 -5.221 1.00 0.61 H new ATOM 0 HB2 PRO A 127 -11.291 4.348 -6.331 1.00 0.75 H new ATOM 0 HB3 PRO A 127 -10.530 5.627 -7.256 1.00 0.75 H new ATOM 0 HG2 PRO A 127 -9.286 3.248 -5.932 1.00 0.72 H new ATOM 0 HG3 PRO A 127 -8.891 3.994 -7.467 1.00 0.72 H new ATOM 0 HD2 PRO A 127 -7.384 4.408 -5.235 1.00 0.63 H new ATOM 0 HD3 PRO A 127 -7.544 5.630 -6.480 1.00 0.63 H new ATOM 1452 N PRO A 128 -12.321 5.659 -3.710 1.00 0.52 N ATOM 1453 CA PRO A 128 -13.153 5.182 -2.594 1.00 0.52 C ATOM 1454 C PRO A 128 -13.274 3.659 -2.509 1.00 0.50 C ATOM 1455 O PRO A 128 -13.456 3.116 -1.426 1.00 0.58 O ATOM 1456 CB PRO A 128 -14.515 5.806 -2.866 1.00 0.66 C ATOM 1457 CG PRO A 128 -14.228 7.017 -3.683 1.00 0.71 C ATOM 1458 CD PRO A 128 -13.010 6.690 -4.503 1.00 0.63 C ATOM 0 HA PRO A 128 -12.711 5.465 -1.639 1.00 0.52 H new ATOM 0 HB2 PRO A 128 -15.166 5.114 -3.401 1.00 0.66 H new ATOM 0 HB3 PRO A 128 -15.022 6.068 -1.937 1.00 0.66 H new ATOM 0 HG2 PRO A 128 -15.074 7.264 -4.324 1.00 0.71 H new ATOM 0 HG3 PRO A 128 -14.048 7.883 -3.046 1.00 0.71 H new ATOM 0 HD2 PRO A 128 -13.281 6.320 -5.492 1.00 0.63 H new ATOM 0 HD3 PRO A 128 -12.381 7.567 -4.652 1.00 0.63 H new ATOM 1466 N HIS A 129 -13.150 2.968 -3.641 1.00 0.50 N ATOM 1467 CA HIS A 129 -13.277 1.509 -3.652 1.00 0.59 C ATOM 1468 C HIS A 129 -11.946 0.833 -3.305 1.00 0.60 C ATOM 1469 O HIS A 129 -11.804 -0.387 -3.416 1.00 0.74 O ATOM 1470 CB HIS A 129 -13.798 1.004 -5.012 1.00 0.71 C ATOM 1471 CG HIS A 129 -12.844 1.171 -6.163 1.00 0.74 C ATOM 1472 ND1 HIS A 129 -12.812 2.288 -6.968 1.00 0.79 N ATOM 1473 CD2 HIS A 129 -11.899 0.336 -6.652 1.00 0.86 C ATOM 1474 CE1 HIS A 129 -11.891 2.131 -7.901 1.00 0.91 C ATOM 1475 NE2 HIS A 129 -11.320 0.954 -7.733 1.00 0.94 N ATOM 0 H HIS A 129 -12.964 3.387 -4.552 1.00 0.50 H new ATOM 0 HA HIS A 129 -14.005 1.240 -2.887 1.00 0.59 H new ATOM 0 HB2 HIS A 129 -14.048 -0.053 -4.918 1.00 0.71 H new ATOM 0 HB3 HIS A 129 -14.723 1.531 -5.248 1.00 0.71 H new ATOM 0 HD2 HIS A 129 -11.646 -0.639 -6.263 1.00 0.86 H new ATOM 0 HE1 HIS A 129 -11.646 2.846 -8.672 1.00 0.91 H new ATOM 0 HE2 HIS A 129 -10.573 0.567 -8.310 1.00 0.94 H new ATOM 1484 N LEU A 130 -10.968 1.635 -2.907 1.00 0.50 N ATOM 1485 CA LEU A 130 -9.662 1.119 -2.509 1.00 0.56 C ATOM 1486 C LEU A 130 -9.201 1.733 -1.189 1.00 0.56 C ATOM 1487 O LEU A 130 -8.496 1.089 -0.411 1.00 0.64 O ATOM 1488 CB LEU A 130 -8.617 1.379 -3.601 1.00 0.60 C ATOM 1489 CG LEU A 130 -8.803 0.565 -4.887 1.00 0.71 C ATOM 1490 CD1 LEU A 130 -7.742 0.929 -5.911 1.00 0.79 C ATOM 1491 CD2 LEU A 130 -8.748 -0.928 -4.592 1.00 0.83 C ATOM 0 H LEU A 130 -11.053 2.650 -2.850 1.00 0.50 H new ATOM 0 HA LEU A 130 -9.765 0.043 -2.369 1.00 0.56 H new ATOM 0 HB2 LEU A 130 -8.635 2.439 -3.855 1.00 0.60 H new ATOM 0 HB3 LEU A 130 -7.628 1.166 -3.194 1.00 0.60 H new ATOM 0 HG LEU A 130 -9.784 0.805 -5.297 1.00 0.71 H new ATOM 0 HD11 LEU A 130 -7.892 0.340 -6.816 1.00 0.79 H new ATOM 0 HD12 LEU A 130 -7.817 1.989 -6.152 1.00 0.79 H new ATOM 0 HD13 LEU A 130 -6.754 0.719 -5.501 1.00 0.79 H new ATOM 0 HD21 LEU A 130 -8.882 -1.487 -5.518 1.00 0.83 H new ATOM 0 HD22 LEU A 130 -7.781 -1.177 -4.155 1.00 0.83 H new ATOM 0 HD23 LEU A 130 -9.541 -1.190 -3.892 1.00 0.83 H new ATOM 1503 N VAL A 131 -9.595 2.973 -0.935 1.00 0.58 N ATOM 1504 CA VAL A 131 -9.242 3.637 0.311 1.00 0.65 C ATOM 1505 C VAL A 131 -10.208 3.243 1.434 1.00 0.79 C ATOM 1506 O VAL A 131 -11.426 3.373 1.301 1.00 0.92 O ATOM 1507 CB VAL A 131 -9.203 5.179 0.148 1.00 0.68 C ATOM 1508 CG1 VAL A 131 -10.548 5.727 -0.308 1.00 1.44 C ATOM 1509 CG2 VAL A 131 -8.766 5.851 1.442 1.00 1.40 C ATOM 0 H VAL A 131 -10.157 3.537 -1.572 1.00 0.58 H new ATOM 0 HA VAL A 131 -8.240 3.305 0.581 1.00 0.65 H new ATOM 0 HB VAL A 131 -8.470 5.406 -0.626 1.00 0.68 H new ATOM 0 HG11 VAL A 131 -10.483 6.810 -0.412 1.00 1.44 H new ATOM 0 HG12 VAL A 131 -10.814 5.286 -1.269 1.00 1.44 H new ATOM 0 HG13 VAL A 131 -11.311 5.478 0.429 1.00 1.44 H new ATOM 0 HG21 VAL A 131 -8.747 6.932 1.302 1.00 1.40 H new ATOM 0 HG22 VAL A 131 -9.468 5.601 2.237 1.00 1.40 H new ATOM 0 HG23 VAL A 131 -7.770 5.502 1.715 1.00 1.40 H new ATOM 1746 N TYR B 148 8.356 9.416 4.843 1.00 0.63 N ATOM 1747 CA TYR B 148 7.882 8.141 5.375 1.00 0.45 C ATOM 1748 C TYR B 148 8.209 7.013 4.410 1.00 0.40 C ATOM 1749 O TYR B 148 8.132 5.834 4.757 1.00 0.58 O ATOM 1750 CB TYR B 148 6.366 8.186 5.582 1.00 0.52 C ATOM 1751 CG TYR B 148 5.873 9.420 6.298 1.00 0.55 C ATOM 1752 CD1 TYR B 148 5.720 10.624 5.626 1.00 0.63 C ATOM 1753 CD2 TYR B 148 5.578 9.384 7.654 1.00 0.63 C ATOM 1754 CE1 TYR B 148 5.274 11.756 6.282 1.00 0.73 C ATOM 1755 CE2 TYR B 148 5.131 10.505 8.319 1.00 0.72 C ATOM 1756 CZ TYR B 148 4.949 11.694 7.601 1.00 0.75 C ATOM 1757 OH TYR B 148 4.542 12.812 8.301 1.00 0.89 O ATOM 0 HA TYR B 148 8.380 7.964 6.329 1.00 0.45 H new ATOM 0 HB2 TYR B 148 5.876 8.124 4.610 1.00 0.52 H new ATOM 0 HB3 TYR B 148 6.062 7.306 6.149 1.00 0.52 H new ATOM 0 HD1 TYR B 148 5.953 10.678 4.573 1.00 0.63 H new ATOM 0 HD2 TYR B 148 5.701 8.459 8.198 1.00 0.63 H new ATOM 0 HE1 TYR B 148 5.184 12.690 5.747 1.00 0.73 H new ATOM 0 HE2 TYR B 148 4.924 10.467 9.378 1.00 0.72 H new ATOM 0 HH TYR B 148 4.353 12.565 9.230 1.00 0.89 H new ATOM 1767 N ASN B 149 8.577 7.392 3.198 1.00 0.38 N ATOM 1768 CA ASN B 149 8.739 6.447 2.104 1.00 0.30 C ATOM 1769 C ASN B 149 10.201 6.025 1.953 1.00 0.31 C ATOM 1770 O ASN B 149 11.056 6.839 1.607 1.00 0.36 O ATOM 1771 CB ASN B 149 8.230 7.087 0.811 1.00 0.34 C ATOM 1772 CG ASN B 149 7.984 6.090 -0.298 1.00 0.32 C ATOM 1773 OD1 ASN B 149 8.677 5.081 -0.425 1.00 0.27 O ATOM 1774 ND2 ASN B 149 6.975 6.372 -1.102 1.00 0.43 N ATOM 0 H ASN B 149 8.772 8.361 2.944 1.00 0.38 H new ATOM 0 HA ASN B 149 8.159 5.550 2.321 1.00 0.30 H new ATOM 0 HB2 ASN B 149 7.304 7.622 1.020 1.00 0.34 H new ATOM 0 HB3 ASN B 149 8.955 7.826 0.470 1.00 0.34 H new ATOM 0 HD21 ASN B 149 6.742 5.741 -1.868 1.00 0.43 H new ATOM 0 HD22 ASN B 149 6.429 7.221 -0.957 1.00 0.43 H new ATOM 1781 N PRO B 150 10.498 4.736 2.191 1.00 0.30 N ATOM 1782 CA PRO B 150 11.863 4.202 2.148 1.00 0.34 C ATOM 1783 C PRO B 150 12.422 4.103 0.727 1.00 0.33 C ATOM 1784 O PRO B 150 13.561 3.687 0.529 1.00 0.35 O ATOM 1785 CB PRO B 150 11.731 2.798 2.763 1.00 0.38 C ATOM 1786 CG PRO B 150 10.355 2.738 3.339 1.00 0.51 C ATOM 1787 CD PRO B 150 9.529 3.696 2.536 1.00 0.30 C ATOM 0 HA PRO B 150 12.556 4.854 2.679 1.00 0.34 H new ATOM 0 HB2 PRO B 150 11.874 2.025 2.008 1.00 0.38 H new ATOM 0 HB3 PRO B 150 12.485 2.635 3.533 1.00 0.38 H new ATOM 0 HG2 PRO B 150 9.950 1.728 3.278 1.00 0.51 H new ATOM 0 HG3 PRO B 150 10.361 3.016 4.393 1.00 0.51 H new ATOM 0 HD2 PRO B 150 9.107 3.224 1.649 1.00 0.30 H new ATOM 0 HD3 PRO B 150 8.694 4.094 3.112 1.00 0.30 H new ATOM 1795 N PHE B 151 11.608 4.449 -0.262 1.00 0.32 N ATOM 1796 CA PHE B 151 12.062 4.481 -1.648 1.00 0.35 C ATOM 1797 C PHE B 151 12.216 5.914 -2.119 1.00 0.39 C ATOM 1798 O PHE B 151 12.971 6.209 -3.044 1.00 0.50 O ATOM 1799 CB PHE B 151 11.066 3.761 -2.550 1.00 0.32 C ATOM 1800 CG PHE B 151 10.765 2.365 -2.107 1.00 0.32 C ATOM 1801 CD1 PHE B 151 11.644 1.332 -2.386 1.00 0.40 C ATOM 1802 CD2 PHE B 151 9.606 2.085 -1.408 1.00 0.32 C ATOM 1803 CE1 PHE B 151 11.370 0.044 -1.977 1.00 0.46 C ATOM 1804 CE2 PHE B 151 9.327 0.800 -0.996 1.00 0.39 C ATOM 1805 CZ PHE B 151 10.204 -0.226 -1.297 1.00 0.45 C ATOM 0 H PHE B 151 10.631 4.711 -0.131 1.00 0.32 H new ATOM 0 HA PHE B 151 13.027 3.977 -1.701 1.00 0.35 H new ATOM 0 HB2 PHE B 151 10.138 4.332 -2.583 1.00 0.32 H new ATOM 0 HB3 PHE B 151 11.460 3.735 -3.566 1.00 0.32 H new ATOM 0 HD1 PHE B 151 12.554 1.537 -2.930 1.00 0.40 H new ATOM 0 HD2 PHE B 151 8.912 2.881 -1.182 1.00 0.32 H new ATOM 0 HE1 PHE B 151 12.069 -0.751 -2.190 1.00 0.46 H new ATOM 0 HE2 PHE B 151 8.425 0.594 -0.439 1.00 0.39 H new ATOM 0 HZ PHE B 151 9.974 -1.238 -0.999 1.00 0.45 H new ATOM 1815 N GLU B 152 11.501 6.797 -1.455 1.00 0.41 N ATOM 1816 CA GLU B 152 11.423 8.189 -1.848 1.00 0.49 C ATOM 1817 C GLU B 152 12.180 9.049 -0.829 1.00 0.59 C ATOM 1818 O GLU B 152 11.963 10.251 -0.701 1.00 0.76 O ATOM 1819 CB GLU B 152 9.934 8.560 -1.978 1.00 0.60 C ATOM 1820 CG GLU B 152 9.642 10.009 -2.328 1.00 0.62 C ATOM 1821 CD GLU B 152 8.157 10.283 -2.389 1.00 0.74 C ATOM 1822 OE1 GLU B 152 7.473 10.124 -1.357 1.00 1.01 O ATOM 1823 OE2 GLU B 152 7.668 10.688 -3.466 1.00 1.42 O ATOM 0 H GLU B 152 10.955 6.569 -0.624 1.00 0.41 H new ATOM 0 HA GLU B 152 11.898 8.369 -2.812 1.00 0.49 H new ATOM 0 HB2 GLU B 152 9.486 7.924 -2.741 1.00 0.60 H new ATOM 0 HB3 GLU B 152 9.437 8.326 -1.036 1.00 0.60 H new ATOM 0 HG2 GLU B 152 10.102 10.662 -1.586 1.00 0.62 H new ATOM 0 HG3 GLU B 152 10.096 10.249 -3.289 1.00 0.62 H new