USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 731 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 53 TYR OH : rot 93:sc= 1.19 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 171:sc= 1.19 (180deg=1.03) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 2.04 (180deg=1.84) USER MOD Single : A 52 THR OG1 : rot 132:sc= 1.26 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -81:sc= 0.467 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 71 ASN : amide:sc= -4.35! C(o=-4.4!,f=-7.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 153:sc= -0.302 (180deg=-1.47) USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= 0.747 (180deg=0.0458!) USER MOD Single : A 79 SER OG : rot 68:sc= -0.144 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0428 USER MOD Single : A 88 LYS NZ :NH3+ -148:sc= 0.816 (180deg=0.384) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= 0.0424 F(o=-1.1,f=0.042) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -140:sc= 1.52 (180deg=0.668) USER MOD Single : A 120 HIS : no HD1:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=-0.1) USER MOD Single : B 152 THR OG1 : rot -60:sc= 0.673 USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -12.306 -6.407 -4.403 1.00 0.96 N ATOM 117 CA TRP A 44 -10.925 -6.041 -4.156 1.00 0.76 C ATOM 118 C TRP A 44 -10.001 -6.990 -4.916 1.00 0.61 C ATOM 119 O TRP A 44 -9.776 -8.129 -4.500 1.00 0.62 O ATOM 120 CB TRP A 44 -10.629 -6.067 -2.656 1.00 0.89 C ATOM 121 CG TRP A 44 -9.504 -5.165 -2.243 1.00 0.64 C ATOM 122 CD1 TRP A 44 -9.322 -3.861 -2.612 1.00 0.60 C ATOM 123 CD2 TRP A 44 -8.429 -5.487 -1.355 1.00 0.59 C ATOM 124 NE1 TRP A 44 -8.189 -3.358 -2.021 1.00 0.60 N ATOM 125 CE2 TRP A 44 -7.623 -4.332 -1.242 1.00 0.53 C ATOM 126 CE3 TRP A 44 -8.061 -6.635 -0.646 1.00 0.76 C ATOM 127 CZ2 TRP A 44 -6.482 -4.298 -0.445 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -6.927 -6.596 0.145 1.00 0.77 C ATOM 129 CH2 TRP A 44 -6.149 -5.434 0.238 1.00 0.69 C ATOM 0 HA TRP A 44 -10.750 -5.026 -4.512 1.00 0.76 H new ATOM 0 HB2 TRP A 44 -11.530 -5.780 -2.113 1.00 0.89 H new ATOM 0 HB3 TRP A 44 -10.390 -7.089 -2.360 1.00 0.89 H new ATOM 0 HD1 TRP A 44 -9.974 -3.308 -3.272 1.00 0.60 H new ATOM 0 HE1 TRP A 44 -7.827 -2.412 -2.143 1.00 0.60 H new ATOM 0 HE3 TRP A 44 -8.652 -7.536 -0.715 1.00 0.76 H new ATOM 0 HZ2 TRP A 44 -5.880 -3.404 -0.369 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -6.636 -7.476 0.700 1.00 0.77 H new ATOM 0 HH2 TRP A 44 -5.268 -5.436 0.862 1.00 0.69 H new ATOM 140 N VAL A 45 -9.472 -6.499 -6.034 1.00 0.60 N ATOM 141 CA VAL A 45 -8.691 -7.320 -6.962 1.00 0.57 C ATOM 142 C VAL A 45 -7.452 -7.931 -6.307 1.00 0.54 C ATOM 143 O VAL A 45 -6.943 -8.955 -6.759 1.00 0.67 O ATOM 144 CB VAL A 45 -8.259 -6.504 -8.203 1.00 0.67 C ATOM 145 CG1 VAL A 45 -9.476 -5.963 -8.936 1.00 1.01 C ATOM 146 CG2 VAL A 45 -7.322 -5.369 -7.811 1.00 1.33 C ATOM 0 H VAL A 45 -9.571 -5.526 -6.323 1.00 0.60 H new ATOM 0 HA VAL A 45 -9.348 -8.133 -7.269 1.00 0.57 H new ATOM 0 HB VAL A 45 -7.719 -7.171 -8.875 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -9.152 -5.392 -9.806 1.00 1.01 H new ATOM 0 HG12 VAL A 45 -10.104 -6.793 -9.260 1.00 1.01 H new ATOM 0 HG13 VAL A 45 -10.045 -5.316 -8.268 1.00 1.01 H new ATOM 0 HG21 VAL A 45 -7.033 -4.811 -8.702 1.00 1.33 H new ATOM 0 HG22 VAL A 45 -7.830 -4.702 -7.114 1.00 1.33 H new ATOM 0 HG23 VAL A 45 -6.431 -5.780 -7.336 1.00 1.33 H new ATOM 156 N VAL A 46 -6.984 -7.315 -5.232 1.00 0.43 N ATOM 157 CA VAL A 46 -5.764 -7.752 -4.569 1.00 0.40 C ATOM 158 C VAL A 46 -6.051 -8.924 -3.623 1.00 0.46 C ATOM 159 O VAL A 46 -5.136 -9.597 -3.150 1.00 0.53 O ATOM 160 CB VAL A 46 -5.120 -6.580 -3.793 1.00 0.37 C ATOM 161 CG1 VAL A 46 -3.741 -6.952 -3.264 1.00 0.43 C ATOM 162 CG2 VAL A 46 -5.035 -5.345 -4.679 1.00 0.41 C ATOM 0 H VAL A 46 -7.432 -6.508 -4.799 1.00 0.43 H new ATOM 0 HA VAL A 46 -5.063 -8.090 -5.332 1.00 0.40 H new ATOM 0 HB VAL A 46 -5.754 -6.358 -2.935 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -3.318 -6.105 -2.724 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -3.827 -7.805 -2.591 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -3.089 -7.213 -4.098 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -4.580 -4.527 -4.120 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -4.428 -5.568 -5.556 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -6.037 -5.055 -4.996 1.00 0.41 H new ATOM 172 N GLY A 47 -7.332 -9.191 -3.394 1.00 0.51 N ATOM 173 CA GLY A 47 -7.727 -10.239 -2.467 1.00 0.59 C ATOM 174 C GLY A 47 -7.317 -11.630 -2.926 1.00 0.65 C ATOM 175 O GLY A 47 -7.152 -12.531 -2.106 1.00 0.78 O ATOM 0 H GLY A 47 -8.108 -8.698 -3.836 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -7.282 -10.039 -1.492 1.00 0.59 H new ATOM 0 HA3 GLY A 47 -8.809 -10.211 -2.336 1.00 0.59 H new ATOM 179 N LYS A 48 -7.126 -11.801 -4.234 1.00 0.66 N ATOM 180 CA LYS A 48 -6.761 -13.102 -4.792 1.00 0.79 C ATOM 181 C LYS A 48 -5.313 -13.451 -4.493 1.00 0.73 C ATOM 182 O LYS A 48 -4.932 -14.624 -4.488 1.00 0.86 O ATOM 183 CB LYS A 48 -6.965 -13.125 -6.307 1.00 0.94 C ATOM 184 CG LYS A 48 -8.414 -13.238 -6.723 1.00 1.18 C ATOM 185 CD LYS A 48 -8.554 -13.478 -8.221 1.00 1.81 C ATOM 186 CE LYS A 48 -7.948 -12.346 -9.035 1.00 2.64 C ATOM 187 NZ LYS A 48 -7.956 -12.648 -10.490 1.00 3.22 N ATOM 0 H LYS A 48 -7.218 -11.057 -4.925 1.00 0.66 H new ATOM 0 HA LYS A 48 -7.412 -13.839 -4.321 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -6.543 -12.216 -6.735 1.00 0.94 H new ATOM 0 HB3 LYS A 48 -6.409 -13.963 -6.727 1.00 0.94 H new ATOM 0 HG2 LYS A 48 -8.886 -14.055 -6.178 1.00 1.18 H new ATOM 0 HG3 LYS A 48 -8.943 -12.325 -6.450 1.00 1.18 H new ATOM 0 HD2 LYS A 48 -8.067 -14.417 -8.485 1.00 1.81 H new ATOM 0 HD3 LYS A 48 -9.609 -13.584 -8.475 1.00 1.81 H new ATOM 0 HE2 LYS A 48 -8.505 -11.427 -8.851 1.00 2.64 H new ATOM 0 HE3 LYS A 48 -6.924 -12.169 -8.706 1.00 2.64 H new ATOM 0 HZ1 LYS A 48 -7.535 -11.853 -11.012 1.00 3.22 H new ATOM 0 HZ2 LYS A 48 -7.403 -13.511 -10.669 1.00 3.22 H new ATOM 0 HZ3 LYS A 48 -8.935 -12.792 -10.809 1.00 3.22 H new ATOM 201 N ASP A 49 -4.510 -12.435 -4.248 1.00 0.61 N ATOM 202 CA ASP A 49 -3.090 -12.637 -4.040 1.00 0.65 C ATOM 203 C ASP A 49 -2.632 -11.840 -2.827 1.00 0.53 C ATOM 204 O ASP A 49 -1.489 -11.406 -2.729 1.00 0.60 O ATOM 205 CB ASP A 49 -2.354 -12.198 -5.308 1.00 0.80 C ATOM 206 CG ASP A 49 -0.879 -12.565 -5.309 1.00 1.61 C ATOM 207 OD1 ASP A 49 -0.533 -13.654 -4.793 1.00 2.39 O ATOM 208 OD2 ASP A 49 -0.063 -11.757 -5.798 1.00 1.93 O ATOM 0 H ASP A 49 -4.815 -11.464 -4.188 1.00 0.61 H new ATOM 0 HA ASP A 49 -2.871 -13.687 -3.846 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -2.834 -12.654 -6.174 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -2.452 -11.118 -5.420 1.00 0.80 H new ATOM 213 N LYS A 50 -3.529 -11.718 -1.860 1.00 0.43 N ATOM 214 CA LYS A 50 -3.216 -11.032 -0.620 1.00 0.39 C ATOM 215 C LYS A 50 -2.495 -11.966 0.351 1.00 0.32 C ATOM 216 O LYS A 50 -1.522 -11.554 0.965 1.00 0.29 O ATOM 217 CB LYS A 50 -4.466 -10.462 0.055 1.00 0.50 C ATOM 218 CG LYS A 50 -4.148 -9.372 1.070 1.00 0.74 C ATOM 219 CD LYS A 50 -5.264 -9.196 2.085 1.00 0.72 C ATOM 220 CE LYS A 50 -5.109 -10.160 3.253 1.00 0.80 C ATOM 221 NZ LYS A 50 -3.932 -9.825 4.101 1.00 1.17 N ATOM 0 H LYS A 50 -4.479 -12.086 -1.912 1.00 0.43 H new ATOM 0 HA LYS A 50 -2.561 -10.200 -0.879 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -5.132 -10.058 -0.707 1.00 0.50 H new ATOM 0 HB3 LYS A 50 -5.004 -11.269 0.553 1.00 0.50 H new ATOM 0 HG2 LYS A 50 -3.222 -9.619 1.589 1.00 0.74 H new ATOM 0 HG3 LYS A 50 -3.980 -8.429 0.549 1.00 0.74 H new ATOM 0 HD2 LYS A 50 -5.263 -8.171 2.455 1.00 0.72 H new ATOM 0 HD3 LYS A 50 -6.227 -9.360 1.601 1.00 0.72 H new ATOM 0 HE2 LYS A 50 -6.012 -10.139 3.862 1.00 0.80 H new ATOM 0 HE3 LYS A 50 -5.004 -11.176 2.873 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 -3.482 -10.702 4.433 1.00 1.17 H new ATOM 0 HZ2 LYS A 50 -3.248 -9.275 3.544 1.00 1.17 H new ATOM 0 HZ3 LYS A 50 -4.242 -9.264 4.920 1.00 1.17 H new ATOM 235 N PRO A 51 -2.963 -13.236 0.526 1.00 0.34 N ATOM 236 CA PRO A 51 -2.296 -14.212 1.405 1.00 0.33 C ATOM 237 C PRO A 51 -0.789 -14.327 1.160 1.00 0.29 C ATOM 238 O PRO A 51 -0.029 -14.641 2.073 1.00 0.29 O ATOM 239 CB PRO A 51 -2.990 -15.527 1.060 1.00 0.45 C ATOM 240 CG PRO A 51 -4.358 -15.122 0.652 1.00 0.65 C ATOM 241 CD PRO A 51 -4.194 -13.815 -0.069 1.00 0.44 C ATOM 0 HA PRO A 51 -2.378 -13.920 2.452 1.00 0.33 H new ATOM 0 HB2 PRO A 51 -2.473 -16.051 0.256 1.00 0.45 H new ATOM 0 HB3 PRO A 51 -3.013 -16.201 1.916 1.00 0.45 H new ATOM 0 HG2 PRO A 51 -4.812 -15.872 0.005 1.00 0.65 H new ATOM 0 HG3 PRO A 51 -5.009 -15.012 1.519 1.00 0.65 H new ATOM 0 HD2 PRO A 51 -4.088 -13.961 -1.144 1.00 0.44 H new ATOM 0 HD3 PRO A 51 -5.055 -13.164 0.081 1.00 0.44 H new ATOM 249 N THR A 52 -0.353 -14.052 -0.062 1.00 0.29 N ATOM 250 CA THR A 52 1.062 -14.105 -0.384 1.00 0.28 C ATOM 251 C THR A 52 1.801 -12.962 0.316 1.00 0.25 C ATOM 252 O THR A 52 2.820 -13.170 0.989 1.00 0.25 O ATOM 253 CB THR A 52 1.273 -13.991 -1.907 1.00 0.33 C ATOM 254 OG1 THR A 52 0.312 -14.806 -2.590 1.00 0.45 O ATOM 255 CG2 THR A 52 2.680 -14.421 -2.303 1.00 0.40 C ATOM 0 H THR A 52 -0.957 -13.791 -0.841 1.00 0.29 H new ATOM 0 HA THR A 52 1.457 -15.061 -0.040 1.00 0.28 H new ATOM 0 HB THR A 52 1.142 -12.947 -2.191 1.00 0.33 H new ATOM 0 HG1 THR A 52 -0.102 -14.288 -3.312 1.00 0.45 H new ATOM 0 HG21 THR A 52 2.798 -14.329 -3.383 1.00 0.40 H new ATOM 0 HG22 THR A 52 3.409 -13.784 -1.803 1.00 0.40 H new ATOM 0 HG23 THR A 52 2.840 -15.458 -2.007 1.00 0.40 H new ATOM 263 N TYR A 53 1.238 -11.764 0.212 1.00 0.25 N ATOM 264 CA TYR A 53 1.821 -10.592 0.850 1.00 0.25 C ATOM 265 C TYR A 53 1.527 -10.651 2.342 1.00 0.22 C ATOM 266 O TYR A 53 2.195 -10.021 3.149 1.00 0.21 O ATOM 267 CB TYR A 53 1.243 -9.294 0.273 1.00 0.28 C ATOM 268 CG TYR A 53 1.039 -9.289 -1.229 1.00 0.34 C ATOM 269 CD1 TYR A 53 1.950 -9.926 -2.058 1.00 0.44 C ATOM 270 CD2 TYR A 53 -0.052 -8.655 -1.819 1.00 0.49 C ATOM 271 CE1 TYR A 53 1.788 -9.933 -3.427 1.00 0.53 C ATOM 272 CE2 TYR A 53 -0.221 -8.659 -3.191 1.00 0.59 C ATOM 273 CZ TYR A 53 0.627 -9.257 -3.978 1.00 0.56 C ATOM 274 OH TYR A 53 0.554 -9.296 -5.355 1.00 0.70 O ATOM 0 H TYR A 53 0.380 -11.580 -0.307 1.00 0.25 H new ATOM 0 HA TYR A 53 2.895 -10.595 0.666 1.00 0.25 H new ATOM 0 HB2 TYR A 53 0.285 -9.096 0.754 1.00 0.28 H new ATOM 0 HB3 TYR A 53 1.908 -8.471 0.536 1.00 0.28 H new ATOM 0 HD1 TYR A 53 2.803 -10.426 -1.623 1.00 0.44 H new ATOM 0 HD2 TYR A 53 -0.777 -8.153 -1.195 1.00 0.49 H new ATOM 0 HE1 TYR A 53 2.502 -10.426 -4.070 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -1.075 -8.155 -3.620 1.00 0.59 H new ATOM 0 HH TYR A 53 0.015 -10.066 -5.632 1.00 0.70 H new ATOM 284 N ASP A 54 0.511 -11.429 2.679 1.00 0.23 N ATOM 285 CA ASP A 54 0.096 -11.640 4.057 1.00 0.24 C ATOM 286 C ASP A 54 1.147 -12.470 4.781 1.00 0.21 C ATOM 287 O ASP A 54 1.518 -12.179 5.916 1.00 0.22 O ATOM 288 CB ASP A 54 -1.260 -12.354 4.061 1.00 0.29 C ATOM 289 CG ASP A 54 -1.913 -12.411 5.423 1.00 0.50 C ATOM 290 OD1 ASP A 54 -1.595 -13.344 6.190 1.00 0.63 O ATOM 291 OD2 ASP A 54 -2.700 -11.507 5.750 1.00 0.73 O ATOM 0 H ASP A 54 -0.054 -11.936 1.998 1.00 0.23 H new ATOM 0 HA ASP A 54 -0.004 -10.686 4.574 1.00 0.24 H new ATOM 0 HB2 ASP A 54 -1.930 -11.846 3.368 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -1.127 -13.370 3.689 1.00 0.29 H new ATOM 296 N GLU A 55 1.651 -13.489 4.097 1.00 0.23 N ATOM 297 CA GLU A 55 2.737 -14.298 4.625 1.00 0.25 C ATOM 298 C GLU A 55 3.990 -13.444 4.778 1.00 0.24 C ATOM 299 O GLU A 55 4.716 -13.546 5.772 1.00 0.30 O ATOM 300 CB GLU A 55 3.012 -15.486 3.703 1.00 0.32 C ATOM 301 CG GLU A 55 3.902 -16.537 4.338 1.00 0.41 C ATOM 302 CD GLU A 55 3.323 -17.060 5.635 1.00 1.13 C ATOM 303 OE1 GLU A 55 2.361 -17.860 5.582 1.00 1.86 O ATOM 304 OE2 GLU A 55 3.804 -16.658 6.708 1.00 1.66 O ATOM 0 H GLU A 55 1.323 -13.774 3.174 1.00 0.23 H new ATOM 0 HA GLU A 55 2.449 -14.682 5.604 1.00 0.25 H new ATOM 0 HB2 GLU A 55 2.065 -15.944 3.418 1.00 0.32 H new ATOM 0 HB3 GLU A 55 3.481 -15.127 2.787 1.00 0.32 H new ATOM 0 HG2 GLU A 55 4.039 -17.365 3.642 1.00 0.41 H new ATOM 0 HG3 GLU A 55 4.888 -16.112 4.526 1.00 0.41 H new ATOM 311 N ILE A 56 4.238 -12.588 3.792 1.00 0.22 N ATOM 312 CA ILE A 56 5.356 -11.649 3.862 1.00 0.24 C ATOM 313 C ILE A 56 5.147 -10.659 5.013 1.00 0.24 C ATOM 314 O ILE A 56 6.091 -10.256 5.691 1.00 0.27 O ATOM 315 CB ILE A 56 5.525 -10.877 2.534 1.00 0.27 C ATOM 316 CG1 ILE A 56 5.715 -11.857 1.373 1.00 0.29 C ATOM 317 CG2 ILE A 56 6.705 -9.923 2.623 1.00 0.31 C ATOM 318 CD1 ILE A 56 5.796 -11.192 0.015 1.00 0.32 C ATOM 0 H ILE A 56 3.684 -12.524 2.938 1.00 0.22 H new ATOM 0 HA ILE A 56 6.264 -12.226 4.041 1.00 0.24 H new ATOM 0 HB ILE A 56 4.623 -10.293 2.352 1.00 0.27 H new ATOM 0 HG12 ILE A 56 6.626 -12.431 1.540 1.00 0.29 H new ATOM 0 HG13 ILE A 56 4.888 -12.567 1.370 1.00 0.29 H new ATOM 0 HG21 ILE A 56 6.811 -9.387 1.680 1.00 0.31 H new ATOM 0 HG22 ILE A 56 6.536 -9.209 3.429 1.00 0.31 H new ATOM 0 HG23 ILE A 56 7.615 -10.488 2.823 1.00 0.31 H new ATOM 0 HD11 ILE A 56 5.931 -11.952 -0.755 1.00 0.32 H new ATOM 0 HD12 ILE A 56 4.875 -10.641 -0.176 1.00 0.32 H new ATOM 0 HD13 ILE A 56 6.641 -10.504 -0.003 1.00 0.32 H new ATOM 330 N PHE A 57 3.889 -10.310 5.236 1.00 0.22 N ATOM 331 CA PHE A 57 3.495 -9.391 6.296 1.00 0.23 C ATOM 332 C PHE A 57 3.883 -9.939 7.669 1.00 0.26 C ATOM 333 O PHE A 57 4.492 -9.239 8.478 1.00 0.29 O ATOM 334 CB PHE A 57 1.982 -9.163 6.212 1.00 0.23 C ATOM 335 CG PHE A 57 1.471 -8.025 7.046 1.00 0.26 C ATOM 336 CD1 PHE A 57 1.713 -6.714 6.674 1.00 0.27 C ATOM 337 CD2 PHE A 57 0.762 -8.269 8.210 1.00 0.35 C ATOM 338 CE1 PHE A 57 1.258 -5.668 7.448 1.00 0.30 C ATOM 339 CE2 PHE A 57 0.302 -7.227 8.985 1.00 0.39 C ATOM 340 CZ PHE A 57 0.503 -5.920 8.569 1.00 0.34 C ATOM 0 H PHE A 57 3.106 -10.659 4.683 1.00 0.22 H new ATOM 0 HA PHE A 57 4.017 -8.443 6.165 1.00 0.23 H new ATOM 0 HB2 PHE A 57 1.713 -8.982 5.171 1.00 0.23 H new ATOM 0 HB3 PHE A 57 1.473 -10.077 6.518 1.00 0.23 H new ATOM 0 HD1 PHE A 57 2.264 -6.508 5.768 1.00 0.27 H new ATOM 0 HD2 PHE A 57 0.568 -9.287 8.514 1.00 0.35 H new ATOM 0 HE1 PHE A 57 1.495 -4.651 7.174 1.00 0.30 H new ATOM 0 HE2 PHE A 57 -0.213 -7.428 9.913 1.00 0.39 H new ATOM 0 HZ PHE A 57 0.068 -5.102 9.124 1.00 0.34 H new ATOM 350 N TYR A 58 3.557 -11.201 7.918 1.00 0.33 N ATOM 351 CA TYR A 58 3.848 -11.812 9.213 1.00 0.40 C ATOM 352 C TYR A 58 5.332 -12.117 9.381 1.00 0.44 C ATOM 353 O TYR A 58 5.826 -12.199 10.505 1.00 0.62 O ATOM 354 CB TYR A 58 3.023 -13.089 9.417 1.00 0.46 C ATOM 355 CG TYR A 58 1.565 -12.838 9.731 1.00 0.53 C ATOM 356 CD1 TYR A 58 1.146 -12.549 11.024 1.00 0.77 C ATOM 357 CD2 TYR A 58 0.604 -12.885 8.727 1.00 0.60 C ATOM 358 CE1 TYR A 58 -0.187 -12.318 11.309 1.00 0.87 C ATOM 359 CE2 TYR A 58 -0.729 -12.652 9.004 1.00 0.71 C ATOM 360 CZ TYR A 58 -1.116 -12.383 10.318 1.00 0.78 C ATOM 361 OH TYR A 58 -2.448 -12.142 10.577 1.00 0.91 O ATOM 0 H TYR A 58 3.096 -11.818 7.249 1.00 0.33 H new ATOM 0 HA TYR A 58 3.568 -11.084 9.975 1.00 0.40 H new ATOM 0 HB2 TYR A 58 3.090 -13.700 8.517 1.00 0.46 H new ATOM 0 HB3 TYR A 58 3.464 -13.668 10.228 1.00 0.46 H new ATOM 0 HD1 TYR A 58 1.874 -12.504 11.820 1.00 0.77 H new ATOM 0 HD2 TYR A 58 0.905 -13.107 7.714 1.00 0.60 H new ATOM 0 HE1 TYR A 58 -0.491 -12.086 12.319 1.00 0.87 H new ATOM 0 HE2 TYR A 58 -1.464 -12.678 8.213 1.00 0.71 H new ATOM 0 HH TYR A 58 -2.964 -12.232 9.749 1.00 0.91 H new ATOM 371 N THR A 59 6.057 -12.245 8.283 1.00 0.40 N ATOM 372 CA THR A 59 7.476 -12.541 8.367 1.00 0.45 C ATOM 373 C THR A 59 8.295 -11.266 8.545 1.00 0.48 C ATOM 374 O THR A 59 9.523 -11.315 8.633 1.00 0.56 O ATOM 375 CB THR A 59 7.967 -13.325 7.135 1.00 0.49 C ATOM 376 OG1 THR A 59 7.339 -12.831 5.950 1.00 0.48 O ATOM 377 CG2 THR A 59 7.670 -14.806 7.281 1.00 0.58 C ATOM 0 H THR A 59 5.693 -12.150 7.335 1.00 0.40 H new ATOM 0 HA THR A 59 7.620 -13.170 9.245 1.00 0.45 H new ATOM 0 HB THR A 59 9.046 -13.188 7.060 1.00 0.49 H new ATOM 0 HG1 THR A 59 6.443 -13.219 5.869 1.00 0.48 H new ATOM 0 HG21 THR A 59 8.026 -15.337 6.398 1.00 0.58 H new ATOM 0 HG22 THR A 59 8.175 -15.193 8.166 1.00 0.58 H new ATOM 0 HG23 THR A 59 6.595 -14.953 7.384 1.00 0.58 H new ATOM 385 N LEU A 60 7.612 -10.127 8.630 1.00 0.48 N ATOM 386 CA LEU A 60 8.291 -8.854 8.858 1.00 0.56 C ATOM 387 C LEU A 60 8.059 -8.375 10.283 1.00 0.61 C ATOM 388 O LEU A 60 8.517 -7.299 10.667 1.00 0.71 O ATOM 389 CB LEU A 60 7.822 -7.789 7.862 1.00 0.64 C ATOM 390 CG LEU A 60 8.238 -8.030 6.409 1.00 0.42 C ATOM 391 CD1 LEU A 60 7.677 -6.938 5.514 1.00 0.86 C ATOM 392 CD2 LEU A 60 9.757 -8.094 6.284 1.00 1.17 C ATOM 0 H LEU A 60 6.598 -10.059 8.545 1.00 0.48 H new ATOM 0 HA LEU A 60 9.359 -9.014 8.707 1.00 0.56 H new ATOM 0 HB2 LEU A 60 6.735 -7.726 7.907 1.00 0.64 H new ATOM 0 HB3 LEU A 60 8.211 -6.821 8.179 1.00 0.64 H new ATOM 0 HG LEU A 60 7.830 -8.989 6.089 1.00 0.42 H new ATOM 0 HD11 LEU A 60 7.980 -7.121 4.483 1.00 0.86 H new ATOM 0 HD12 LEU A 60 6.589 -6.938 5.578 1.00 0.86 H new ATOM 0 HD13 LEU A 60 8.059 -5.970 5.838 1.00 0.86 H new ATOM 0 HD21 LEU A 60 10.029 -8.266 5.243 1.00 1.17 H new ATOM 0 HD22 LEU A 60 10.190 -7.152 6.622 1.00 1.17 H new ATOM 0 HD23 LEU A 60 10.139 -8.910 6.898 1.00 1.17 H new ATOM 404 N SER A 61 7.366 -9.202 11.058 1.00 0.59 N ATOM 405 CA SER A 61 7.021 -8.895 12.443 1.00 0.66 C ATOM 406 C SER A 61 6.035 -7.733 12.518 1.00 0.70 C ATOM 407 O SER A 61 6.413 -6.581 12.740 1.00 0.78 O ATOM 408 CB SER A 61 8.279 -8.608 13.273 1.00 0.74 C ATOM 409 OG SER A 61 9.142 -9.739 13.278 1.00 1.14 O ATOM 0 H SER A 61 7.025 -10.110 10.742 1.00 0.59 H new ATOM 0 HA SER A 61 6.534 -9.772 12.869 1.00 0.66 H new ATOM 0 HB2 SER A 61 8.803 -7.745 12.863 1.00 0.74 H new ATOM 0 HB3 SER A 61 7.997 -8.354 14.295 1.00 0.74 H new ATOM 0 HG SER A 61 9.940 -9.539 13.810 1.00 1.14 H new ATOM 415 N PRO A 62 4.751 -8.031 12.304 1.00 0.67 N ATOM 416 CA PRO A 62 3.699 -7.032 12.320 1.00 0.71 C ATOM 417 C PRO A 62 3.115 -6.817 13.717 1.00 0.83 C ATOM 418 O PRO A 62 2.441 -7.688 14.266 1.00 1.10 O ATOM 419 CB PRO A 62 2.670 -7.636 11.369 1.00 0.72 C ATOM 420 CG PRO A 62 2.813 -9.115 11.527 1.00 0.68 C ATOM 421 CD PRO A 62 4.221 -9.373 12.011 1.00 0.65 C ATOM 0 HA PRO A 62 4.047 -6.041 12.027 1.00 0.71 H new ATOM 0 HB2 PRO A 62 1.661 -7.309 11.621 1.00 0.72 H new ATOM 0 HB3 PRO A 62 2.857 -7.330 10.340 1.00 0.72 H new ATOM 0 HG2 PRO A 62 2.084 -9.499 12.240 1.00 0.68 H new ATOM 0 HG3 PRO A 62 2.631 -9.623 10.580 1.00 0.68 H new ATOM 0 HD2 PRO A 62 4.228 -10.007 12.898 1.00 0.65 H new ATOM 0 HD3 PRO A 62 4.817 -9.880 11.252 1.00 0.65 H new ATOM 429 N VAL A 63 3.375 -5.651 14.284 1.00 0.70 N ATOM 430 CA VAL A 63 2.915 -5.339 15.626 1.00 0.79 C ATOM 431 C VAL A 63 1.517 -4.738 15.570 1.00 0.78 C ATOM 432 O VAL A 63 1.300 -3.730 14.898 1.00 0.72 O ATOM 433 CB VAL A 63 3.877 -4.359 16.340 1.00 0.83 C ATOM 434 CG1 VAL A 63 3.417 -4.087 17.766 1.00 1.60 C ATOM 435 CG2 VAL A 63 5.301 -4.897 16.331 1.00 1.66 C ATOM 0 H VAL A 63 3.904 -4.903 13.834 1.00 0.70 H new ATOM 0 HA VAL A 63 2.892 -6.268 16.196 1.00 0.79 H new ATOM 0 HB VAL A 63 3.863 -3.416 15.793 1.00 0.83 H new ATOM 0 HG11 VAL A 63 4.110 -3.396 18.246 1.00 1.60 H new ATOM 0 HG12 VAL A 63 2.419 -3.648 17.749 1.00 1.60 H new ATOM 0 HG13 VAL A 63 3.392 -5.022 18.325 1.00 1.60 H new ATOM 0 HG21 VAL A 63 5.960 -4.192 16.838 1.00 1.66 H new ATOM 0 HG22 VAL A 63 5.331 -5.857 16.847 1.00 1.66 H new ATOM 0 HG23 VAL A 63 5.634 -5.028 15.301 1.00 1.66 H new ATOM 445 N ASN A 64 0.572 -5.382 16.257 1.00 0.92 N ATOM 446 CA ASN A 64 -0.829 -4.945 16.280 1.00 1.00 C ATOM 447 C ASN A 64 -1.458 -5.067 14.897 1.00 0.91 C ATOM 448 O ASN A 64 -2.450 -4.404 14.590 1.00 0.97 O ATOM 449 CB ASN A 64 -0.965 -3.502 16.797 1.00 1.05 C ATOM 450 CG ASN A 64 -0.835 -3.389 18.308 1.00 1.25 C ATOM 451 OD1 ASN A 64 -0.064 -4.281 18.914 1.00 1.98 O flip ATOM 452 ND2 ASN A 64 -1.426 -2.501 18.927 1.00 1.61 N flip ATOM 0 H ASN A 64 0.753 -6.218 16.812 1.00 0.92 H new ATOM 0 HA ASN A 64 -1.361 -5.602 16.968 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -0.202 -2.882 16.326 1.00 1.05 H new ATOM 0 HB3 ASN A 64 -1.933 -3.104 16.492 1.00 1.05 H new ATOM 0 HD21 ASN A 64 -2.011 -1.832 18.426 1.00 1.61 H new ATOM 0 HD22 ASN A 64 -1.330 -2.435 19.940 1.00 1.61 H new ATOM 459 N GLY A 65 -0.886 -5.943 14.079 1.00 0.83 N ATOM 460 CA GLY A 65 -1.402 -6.156 12.743 1.00 0.78 C ATOM 461 C GLY A 65 -0.920 -5.107 11.760 1.00 0.59 C ATOM 462 O GLY A 65 -1.561 -4.866 10.738 1.00 0.59 O ATOM 0 H GLY A 65 -0.073 -6.510 14.319 1.00 0.83 H new ATOM 0 HA2 GLY A 65 -1.100 -7.143 12.393 1.00 0.78 H new ATOM 0 HA3 GLY A 65 -2.492 -6.148 12.772 1.00 0.78 H new ATOM 466 N LYS A 66 0.201 -4.469 12.075 1.00 0.51 N ATOM 467 CA LYS A 66 0.782 -3.464 11.196 1.00 0.40 C ATOM 468 C LYS A 66 2.289 -3.631 11.121 1.00 0.36 C ATOM 469 O LYS A 66 2.935 -3.952 12.119 1.00 0.55 O ATOM 470 CB LYS A 66 0.482 -2.053 11.704 1.00 0.52 C ATOM 471 CG LYS A 66 -0.986 -1.691 11.738 1.00 0.70 C ATOM 472 CD LYS A 66 -1.191 -0.306 12.324 1.00 0.74 C ATOM 473 CE LYS A 66 -2.668 0.052 12.364 1.00 0.74 C ATOM 474 NZ LYS A 66 -2.920 1.375 12.991 1.00 0.97 N ATOM 0 H LYS A 66 0.726 -4.631 12.934 1.00 0.51 H new ATOM 0 HA LYS A 66 0.339 -3.600 10.209 1.00 0.40 H new ATOM 0 HB2 LYS A 66 0.891 -1.949 12.709 1.00 0.52 H new ATOM 0 HB3 LYS A 66 1.004 -1.335 11.071 1.00 0.52 H new ATOM 0 HG2 LYS A 66 -1.397 -1.727 10.729 1.00 0.70 H new ATOM 0 HG3 LYS A 66 -1.532 -2.425 12.331 1.00 0.70 H new ATOM 0 HD2 LYS A 66 -0.776 -0.268 13.331 1.00 0.74 H new ATOM 0 HD3 LYS A 66 -0.650 0.429 11.728 1.00 0.74 H new ATOM 0 HE2 LYS A 66 -3.065 0.054 11.349 1.00 0.74 H new ATOM 0 HE3 LYS A 66 -3.209 -0.716 12.916 1.00 0.74 H new ATOM 0 HZ1 LYS A 66 -3.942 1.569 12.993 1.00 0.97 H new ATOM 0 HZ2 LYS A 66 -2.567 1.368 13.969 1.00 0.97 H new ATOM 0 HZ3 LYS A 66 -2.428 2.115 12.451 1.00 0.97 H new ATOM 488 N ILE A 67 2.851 -3.420 9.947 1.00 0.30 N ATOM 489 CA ILE A 67 4.291 -3.351 9.825 1.00 0.29 C ATOM 490 C ILE A 67 4.708 -1.904 9.647 1.00 0.28 C ATOM 491 O ILE A 67 4.095 -1.156 8.875 1.00 0.37 O ATOM 492 CB ILE A 67 4.843 -4.203 8.667 1.00 0.30 C ATOM 493 CG1 ILE A 67 4.226 -3.791 7.331 1.00 0.29 C ATOM 494 CG2 ILE A 67 4.598 -5.679 8.942 1.00 0.32 C ATOM 495 CD1 ILE A 67 4.847 -4.498 6.152 1.00 0.31 C ATOM 0 H ILE A 67 2.338 -3.295 9.074 1.00 0.30 H new ATOM 0 HA ILE A 67 4.713 -3.763 10.741 1.00 0.29 H new ATOM 0 HB ILE A 67 5.917 -4.031 8.599 1.00 0.30 H new ATOM 0 HG12 ILE A 67 3.156 -4.000 7.351 1.00 0.29 H new ATOM 0 HG13 ILE A 67 4.338 -2.714 7.202 1.00 0.29 H new ATOM 0 HG21 ILE A 67 4.992 -6.273 8.117 1.00 0.32 H new ATOM 0 HG22 ILE A 67 5.099 -5.965 9.867 1.00 0.32 H new ATOM 0 HG23 ILE A 67 3.527 -5.858 9.039 1.00 0.32 H new ATOM 0 HD11 ILE A 67 4.367 -4.163 5.233 1.00 0.31 H new ATOM 0 HD12 ILE A 67 5.912 -4.268 6.110 1.00 0.31 H new ATOM 0 HD13 ILE A 67 4.712 -5.574 6.261 1.00 0.31 H new ATOM 507 N THR A 68 5.710 -1.490 10.403 1.00 0.28 N ATOM 508 CA THR A 68 6.208 -0.131 10.313 1.00 0.26 C ATOM 509 C THR A 68 7.003 0.046 9.018 1.00 0.25 C ATOM 510 O THR A 68 7.434 -0.934 8.405 1.00 0.31 O ATOM 511 CB THR A 68 7.089 0.226 11.537 1.00 0.31 C ATOM 512 OG1 THR A 68 7.633 1.544 11.409 1.00 1.31 O ATOM 513 CG2 THR A 68 8.223 -0.769 11.716 1.00 1.12 C ATOM 0 H THR A 68 6.193 -2.075 11.085 1.00 0.28 H new ATOM 0 HA THR A 68 5.354 0.547 10.307 1.00 0.26 H new ATOM 0 HB THR A 68 6.445 0.185 12.416 1.00 0.31 H new ATOM 0 HG1 THR A 68 8.184 1.748 12.193 1.00 1.31 H new ATOM 0 HG21 THR A 68 8.820 -0.488 12.583 1.00 1.12 H new ATOM 0 HG22 THR A 68 7.811 -1.767 11.867 1.00 1.12 H new ATOM 0 HG23 THR A 68 8.852 -0.767 10.826 1.00 1.12 H new ATOM 521 N GLY A 69 7.214 1.293 8.614 1.00 0.24 N ATOM 522 CA GLY A 69 7.868 1.568 7.343 1.00 0.26 C ATOM 523 C GLY A 69 9.298 1.066 7.261 1.00 0.25 C ATOM 524 O GLY A 69 9.874 1.035 6.179 1.00 0.33 O ATOM 0 H GLY A 69 6.944 2.122 9.143 1.00 0.24 H new ATOM 0 HA2 GLY A 69 7.287 1.111 6.541 1.00 0.26 H new ATOM 0 HA3 GLY A 69 7.861 2.644 7.168 1.00 0.26 H new ATOM 528 N ALA A 70 9.869 0.661 8.385 1.00 0.23 N ATOM 529 CA ALA A 70 11.237 0.171 8.404 1.00 0.24 C ATOM 530 C ALA A 70 11.358 -1.143 7.638 1.00 0.22 C ATOM 531 O ALA A 70 12.039 -1.216 6.611 1.00 0.25 O ATOM 532 CB ALA A 70 11.712 -0.004 9.834 1.00 0.27 C ATOM 0 H ALA A 70 9.407 0.662 9.294 1.00 0.23 H new ATOM 0 HA ALA A 70 11.870 0.909 7.911 1.00 0.24 H new ATOM 0 HB1 ALA A 70 12.738 -0.372 9.834 1.00 0.27 H new ATOM 0 HB2 ALA A 70 11.670 0.955 10.351 1.00 0.27 H new ATOM 0 HB3 ALA A 70 11.070 -0.721 10.346 1.00 0.27 H new ATOM 538 N ASN A 71 10.675 -2.176 8.123 1.00 0.29 N ATOM 539 CA ASN A 71 10.711 -3.482 7.484 1.00 0.32 C ATOM 540 C ASN A 71 9.939 -3.466 6.171 1.00 0.24 C ATOM 541 O ASN A 71 10.270 -4.202 5.239 1.00 0.20 O ATOM 542 CB ASN A 71 10.163 -4.563 8.422 1.00 0.48 C ATOM 543 CG ASN A 71 8.898 -4.150 9.137 1.00 0.69 C ATOM 544 OD1 ASN A 71 7.803 -4.264 8.600 1.00 1.79 O ATOM 545 ND2 ASN A 71 9.042 -3.685 10.368 1.00 0.71 N ATOM 0 H ASN A 71 10.090 -2.131 8.957 1.00 0.29 H new ATOM 0 HA ASN A 71 11.751 -3.720 7.262 1.00 0.32 H new ATOM 0 HB2 ASN A 71 9.968 -5.468 7.847 1.00 0.48 H new ATOM 0 HB3 ASN A 71 10.924 -4.813 9.161 1.00 0.48 H new ATOM 0 HD21 ASN A 71 8.222 -3.406 10.907 1.00 0.71 H new ATOM 0 HD22 ASN A 71 9.973 -3.606 10.778 1.00 0.71 H new ATOM 552 N ALA A 72 8.924 -2.611 6.094 1.00 0.26 N ATOM 553 CA ALA A 72 8.173 -2.435 4.858 1.00 0.26 C ATOM 554 C ALA A 72 9.088 -1.933 3.743 1.00 0.20 C ATOM 555 O ALA A 72 9.124 -2.509 2.651 1.00 0.21 O ATOM 556 CB ALA A 72 7.021 -1.468 5.065 1.00 0.32 C ATOM 0 H ALA A 72 8.604 -2.032 6.870 1.00 0.26 H new ATOM 0 HA ALA A 72 7.765 -3.403 4.566 1.00 0.26 H new ATOM 0 HB1 ALA A 72 6.473 -1.350 4.130 1.00 0.32 H new ATOM 0 HB2 ALA A 72 6.352 -1.858 5.832 1.00 0.32 H new ATOM 0 HB3 ALA A 72 7.411 -0.500 5.382 1.00 0.32 H new ATOM 562 N LYS A 73 9.835 -0.866 4.025 1.00 0.19 N ATOM 563 CA LYS A 73 10.784 -0.322 3.058 1.00 0.17 C ATOM 564 C LYS A 73 11.845 -1.360 2.733 1.00 0.18 C ATOM 565 O LYS A 73 12.329 -1.429 1.607 1.00 0.20 O ATOM 566 CB LYS A 73 11.471 0.934 3.597 1.00 0.19 C ATOM 567 CG LYS A 73 12.337 1.640 2.563 1.00 0.31 C ATOM 568 CD LYS A 73 13.643 2.134 3.167 1.00 0.58 C ATOM 569 CE LYS A 73 14.438 2.964 2.173 1.00 0.91 C ATOM 570 NZ LYS A 73 15.799 3.283 2.676 1.00 1.36 N ATOM 0 H LYS A 73 9.801 -0.364 4.912 1.00 0.19 H new ATOM 0 HA LYS A 73 10.226 -0.059 2.159 1.00 0.17 H new ATOM 0 HB2 LYS A 73 10.712 1.627 3.959 1.00 0.19 H new ATOM 0 HB3 LYS A 73 12.089 0.662 4.453 1.00 0.19 H new ATOM 0 HG2 LYS A 73 12.551 0.958 1.741 1.00 0.31 H new ATOM 0 HG3 LYS A 73 11.788 2.483 2.143 1.00 0.31 H new ATOM 0 HD2 LYS A 73 13.432 2.731 4.054 1.00 0.58 H new ATOM 0 HD3 LYS A 73 14.240 1.282 3.491 1.00 0.58 H new ATOM 0 HE2 LYS A 73 14.518 2.422 1.230 1.00 0.91 H new ATOM 0 HE3 LYS A 73 13.903 3.890 1.964 1.00 0.91 H new ATOM 0 HZ1 LYS A 73 16.307 3.850 1.967 1.00 1.36 H new ATOM 0 HZ2 LYS A 73 15.724 3.822 3.562 1.00 1.36 H new ATOM 0 HZ3 LYS A 73 16.320 2.400 2.851 1.00 1.36 H new ATOM 584 N LYS A 74 12.209 -2.157 3.731 1.00 0.20 N ATOM 585 CA LYS A 74 13.196 -3.211 3.543 1.00 0.23 C ATOM 586 C LYS A 74 12.758 -4.182 2.448 1.00 0.20 C ATOM 587 O LYS A 74 13.547 -4.523 1.569 1.00 0.22 O ATOM 588 CB LYS A 74 13.449 -3.952 4.855 1.00 0.31 C ATOM 589 CG LYS A 74 14.528 -5.015 4.751 1.00 1.15 C ATOM 590 CD LYS A 74 14.950 -5.523 6.121 1.00 1.35 C ATOM 591 CE LYS A 74 15.521 -4.400 6.975 1.00 1.67 C ATOM 592 NZ LYS A 74 16.126 -4.900 8.236 1.00 2.48 N ATOM 0 H LYS A 74 11.835 -2.093 4.678 1.00 0.20 H new ATOM 0 HA LYS A 74 14.130 -2.747 3.226 1.00 0.23 H new ATOM 0 HB2 LYS A 74 13.733 -3.231 5.622 1.00 0.31 H new ATOM 0 HB3 LYS A 74 12.521 -4.419 5.185 1.00 0.31 H new ATOM 0 HG2 LYS A 74 14.162 -5.848 4.151 1.00 1.15 H new ATOM 0 HG3 LYS A 74 15.394 -4.605 4.232 1.00 1.15 H new ATOM 0 HD2 LYS A 74 14.093 -5.967 6.627 1.00 1.35 H new ATOM 0 HD3 LYS A 74 15.695 -6.310 6.006 1.00 1.35 H new ATOM 0 HE2 LYS A 74 16.275 -3.859 6.403 1.00 1.67 H new ATOM 0 HE3 LYS A 74 14.730 -3.689 7.212 1.00 1.67 H new ATOM 0 HZ1 LYS A 74 16.501 -4.099 8.783 1.00 2.48 H new ATOM 0 HZ2 LYS A 74 15.402 -5.393 8.797 1.00 2.48 H new ATOM 0 HZ3 LYS A 74 16.899 -5.559 8.013 1.00 2.48 H new ATOM 606 N GLU A 75 11.499 -4.604 2.480 1.00 0.21 N ATOM 607 CA GLU A 75 10.973 -5.486 1.443 1.00 0.22 C ATOM 608 C GLU A 75 10.939 -4.752 0.098 1.00 0.20 C ATOM 609 O GLU A 75 11.231 -5.329 -0.956 1.00 0.24 O ATOM 610 CB GLU A 75 9.572 -5.980 1.822 1.00 0.29 C ATOM 611 CG GLU A 75 8.991 -6.993 0.848 1.00 0.33 C ATOM 612 CD GLU A 75 9.831 -8.257 0.743 1.00 1.30 C ATOM 613 OE1 GLU A 75 9.826 -9.074 1.690 1.00 2.16 O ATOM 614 OE2 GLU A 75 10.511 -8.441 -0.286 1.00 1.35 O ATOM 0 H GLU A 75 10.828 -4.353 3.206 1.00 0.21 H new ATOM 0 HA GLU A 75 11.628 -6.352 1.352 1.00 0.22 H new ATOM 0 HB2 GLU A 75 9.612 -6.427 2.815 1.00 0.29 H new ATOM 0 HB3 GLU A 75 8.900 -5.124 1.884 1.00 0.29 H new ATOM 0 HG2 GLU A 75 7.982 -7.258 1.165 1.00 0.33 H new ATOM 0 HG3 GLU A 75 8.906 -6.535 -0.138 1.00 0.33 H new ATOM 621 N MET A 76 10.631 -3.462 0.151 1.00 0.19 N ATOM 622 CA MET A 76 10.544 -2.651 -1.060 1.00 0.20 C ATOM 623 C MET A 76 11.916 -2.472 -1.710 1.00 0.22 C ATOM 624 O MET A 76 12.028 -2.429 -2.933 1.00 0.29 O ATOM 625 CB MET A 76 9.915 -1.291 -0.752 1.00 0.22 C ATOM 626 CG MET A 76 8.523 -1.413 -0.157 1.00 0.24 C ATOM 627 SD MET A 76 7.766 0.175 0.236 1.00 0.39 S ATOM 628 CE MET A 76 7.519 0.849 -1.405 1.00 0.51 C ATOM 0 H MET A 76 10.438 -2.955 1.015 1.00 0.19 H new ATOM 0 HA MET A 76 9.905 -3.178 -1.769 1.00 0.20 H new ATOM 0 HB2 MET A 76 10.556 -0.747 -0.058 1.00 0.22 H new ATOM 0 HB3 MET A 76 9.864 -0.702 -1.668 1.00 0.22 H new ATOM 0 HG2 MET A 76 7.883 -1.948 -0.858 1.00 0.24 H new ATOM 0 HG3 MET A 76 8.576 -2.015 0.750 1.00 0.24 H new ATOM 0 HE1 MET A 76 6.679 1.544 -1.390 1.00 0.51 H new ATOM 0 HE2 MET A 76 8.420 1.375 -1.722 1.00 0.51 H new ATOM 0 HE3 MET A 76 7.308 0.039 -2.103 1.00 0.51 H new ATOM 638 N VAL A 77 12.968 -2.388 -0.897 1.00 0.20 N ATOM 639 CA VAL A 77 14.322 -2.264 -1.433 1.00 0.26 C ATOM 640 C VAL A 77 14.870 -3.627 -1.842 1.00 0.27 C ATOM 641 O VAL A 77 15.854 -3.709 -2.574 1.00 0.32 O ATOM 642 CB VAL A 77 15.300 -1.569 -0.456 1.00 0.37 C ATOM 643 CG1 VAL A 77 14.819 -0.163 -0.132 1.00 1.34 C ATOM 644 CG2 VAL A 77 15.491 -2.381 0.813 1.00 0.96 C ATOM 0 H VAL A 77 12.911 -2.403 0.121 1.00 0.20 H new ATOM 0 HA VAL A 77 14.244 -1.626 -2.313 1.00 0.26 H new ATOM 0 HB VAL A 77 16.270 -1.499 -0.948 1.00 0.37 H new ATOM 0 HG11 VAL A 77 15.519 0.311 0.556 1.00 1.34 H new ATOM 0 HG12 VAL A 77 14.760 0.422 -1.050 1.00 1.34 H new ATOM 0 HG13 VAL A 77 13.833 -0.213 0.330 1.00 1.34 H new ATOM 0 HG21 VAL A 77 16.184 -1.863 1.476 1.00 0.96 H new ATOM 0 HG22 VAL A 77 14.531 -2.503 1.315 1.00 0.96 H new ATOM 0 HG23 VAL A 77 15.895 -3.361 0.560 1.00 0.96 H new ATOM 654 N LYS A 78 14.225 -4.696 -1.381 1.00 0.27 N ATOM 655 CA LYS A 78 14.530 -6.034 -1.877 1.00 0.32 C ATOM 656 C LYS A 78 13.981 -6.174 -3.284 1.00 0.32 C ATOM 657 O LYS A 78 14.503 -6.929 -4.104 1.00 0.40 O ATOM 658 CB LYS A 78 13.894 -7.107 -0.997 1.00 0.43 C ATOM 659 CG LYS A 78 14.410 -7.138 0.425 1.00 0.59 C ATOM 660 CD LYS A 78 13.502 -7.973 1.308 1.00 0.83 C ATOM 661 CE LYS A 78 13.424 -9.411 0.827 1.00 1.36 C ATOM 662 NZ LYS A 78 12.360 -10.174 1.532 1.00 2.20 N ATOM 0 H LYS A 78 13.494 -4.662 -0.671 1.00 0.27 H new ATOM 0 HA LYS A 78 15.612 -6.167 -1.865 1.00 0.32 H new ATOM 0 HB2 LYS A 78 12.816 -6.949 -0.976 1.00 0.43 H new ATOM 0 HB3 LYS A 78 14.065 -8.082 -1.454 1.00 0.43 H new ATOM 0 HG2 LYS A 78 15.419 -7.549 0.442 1.00 0.59 H new ATOM 0 HG3 LYS A 78 14.472 -6.123 0.816 1.00 0.59 H new ATOM 0 HD2 LYS A 78 13.870 -7.951 2.334 1.00 0.83 H new ATOM 0 HD3 LYS A 78 12.503 -7.537 1.319 1.00 0.83 H new ATOM 0 HE2 LYS A 78 13.231 -9.425 -0.246 1.00 1.36 H new ATOM 0 HE3 LYS A 78 14.386 -9.899 0.984 1.00 1.36 H new ATOM 0 HZ1 LYS A 78 12.021 -10.943 0.920 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 12.745 -10.575 2.411 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 11.569 -9.538 1.759 1.00 2.20 H new ATOM 676 N SER A 79 12.914 -5.436 -3.543 1.00 0.29 N ATOM 677 CA SER A 79 12.317 -5.385 -4.870 1.00 0.33 C ATOM 678 C SER A 79 13.254 -4.670 -5.847 1.00 0.33 C ATOM 679 O SER A 79 13.254 -4.953 -7.047 1.00 0.42 O ATOM 680 CB SER A 79 10.972 -4.670 -4.799 1.00 0.37 C ATOM 681 OG SER A 79 10.115 -5.288 -3.850 1.00 0.91 O ATOM 0 H SER A 79 12.440 -4.860 -2.847 1.00 0.29 H new ATOM 0 HA SER A 79 12.159 -6.401 -5.231 1.00 0.33 H new ATOM 0 HB2 SER A 79 11.126 -3.625 -4.529 1.00 0.37 H new ATOM 0 HB3 SER A 79 10.499 -4.679 -5.781 1.00 0.37 H new ATOM 0 HG SER A 79 10.473 -5.152 -2.948 1.00 0.91 H new ATOM 687 N LYS A 80 14.043 -3.737 -5.305 1.00 0.31 N ATOM 688 CA LYS A 80 15.104 -3.052 -6.052 1.00 0.35 C ATOM 689 C LYS A 80 14.551 -2.083 -7.097 1.00 0.31 C ATOM 690 O LYS A 80 15.220 -1.776 -8.092 1.00 0.38 O ATOM 691 CB LYS A 80 16.044 -4.074 -6.702 1.00 0.47 C ATOM 692 CG LYS A 80 16.766 -4.949 -5.689 1.00 0.63 C ATOM 693 CD LYS A 80 17.734 -5.915 -6.353 1.00 1.03 C ATOM 694 CE LYS A 80 18.512 -6.710 -5.312 1.00 1.56 C ATOM 695 NZ LYS A 80 19.530 -7.600 -5.927 1.00 2.37 N ATOM 0 H LYS A 80 13.964 -3.435 -4.334 1.00 0.31 H new ATOM 0 HA LYS A 80 15.668 -2.454 -5.336 1.00 0.35 H new ATOM 0 HB2 LYS A 80 15.470 -4.708 -7.377 1.00 0.47 H new ATOM 0 HB3 LYS A 80 16.781 -3.547 -7.308 1.00 0.47 H new ATOM 0 HG2 LYS A 80 17.310 -4.317 -4.987 1.00 0.63 H new ATOM 0 HG3 LYS A 80 16.034 -5.511 -5.110 1.00 0.63 H new ATOM 0 HD2 LYS A 80 17.185 -6.598 -7.001 1.00 1.03 H new ATOM 0 HD3 LYS A 80 18.428 -5.362 -6.987 1.00 1.03 H new ATOM 0 HE2 LYS A 80 19.003 -6.021 -4.624 1.00 1.56 H new ATOM 0 HE3 LYS A 80 17.818 -7.309 -4.722 1.00 1.56 H new ATOM 0 HZ1 LYS A 80 20.033 -8.120 -5.180 1.00 2.37 H new ATOM 0 HZ2 LYS A 80 19.061 -8.276 -6.564 1.00 2.37 H new ATOM 0 HZ3 LYS A 80 20.209 -7.028 -6.469 1.00 2.37 H new ATOM 709 N LEU A 81 13.348 -1.579 -6.862 1.00 0.30 N ATOM 710 CA LEU A 81 12.792 -0.525 -7.697 1.00 0.32 C ATOM 711 C LEU A 81 13.363 0.820 -7.257 1.00 0.33 C ATOM 712 O LEU A 81 13.864 0.942 -6.141 1.00 0.35 O ATOM 713 CB LEU A 81 11.256 -0.490 -7.609 1.00 0.35 C ATOM 714 CG LEU A 81 10.504 -1.578 -8.387 1.00 0.47 C ATOM 715 CD1 LEU A 81 10.901 -1.560 -9.855 1.00 1.35 C ATOM 716 CD2 LEU A 81 10.739 -2.952 -7.784 1.00 0.87 C ATOM 0 H LEU A 81 12.740 -1.882 -6.102 1.00 0.30 H new ATOM 0 HA LEU A 81 13.064 -0.728 -8.733 1.00 0.32 H new ATOM 0 HB2 LEU A 81 10.972 -0.562 -6.559 1.00 0.35 H new ATOM 0 HB3 LEU A 81 10.915 0.482 -7.965 1.00 0.35 H new ATOM 0 HG LEU A 81 9.438 -1.362 -8.315 1.00 0.47 H new ATOM 0 HD11 LEU A 81 10.357 -2.339 -10.389 1.00 1.35 H new ATOM 0 HD12 LEU A 81 10.659 -0.588 -10.285 1.00 1.35 H new ATOM 0 HD13 LEU A 81 11.972 -1.740 -9.944 1.00 1.35 H new ATOM 0 HD21 LEU A 81 10.192 -3.700 -8.359 1.00 0.87 H new ATOM 0 HD22 LEU A 81 11.804 -3.183 -7.808 1.00 0.87 H new ATOM 0 HD23 LEU A 81 10.389 -2.961 -6.752 1.00 0.87 H new ATOM 728 N PRO A 82 13.310 1.839 -8.129 1.00 0.34 N ATOM 729 CA PRO A 82 13.807 3.184 -7.808 1.00 0.38 C ATOM 730 C PRO A 82 13.054 3.817 -6.641 1.00 0.35 C ATOM 731 O PRO A 82 11.835 3.657 -6.517 1.00 0.35 O ATOM 732 CB PRO A 82 13.557 3.980 -9.094 1.00 0.41 C ATOM 733 CG PRO A 82 12.511 3.211 -9.820 1.00 0.44 C ATOM 734 CD PRO A 82 12.768 1.771 -9.494 1.00 0.36 C ATOM 0 HA PRO A 82 14.852 3.164 -7.500 1.00 0.38 H new ATOM 0 HB2 PRO A 82 13.221 4.993 -8.873 1.00 0.41 H new ATOM 0 HB3 PRO A 82 14.467 4.068 -9.688 1.00 0.41 H new ATOM 0 HG2 PRO A 82 11.513 3.512 -9.503 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.571 3.386 -10.894 1.00 0.44 H new ATOM 0 HD2 PRO A 82 11.855 1.177 -9.538 1.00 0.36 H new ATOM 0 HD3 PRO A 82 13.476 1.319 -10.189 1.00 0.36 H new ATOM 742 N ASN A 83 13.789 4.543 -5.801 1.00 0.35 N ATOM 743 CA ASN A 83 13.221 5.212 -4.627 1.00 0.37 C ATOM 744 C ASN A 83 12.059 6.123 -5.003 1.00 0.33 C ATOM 745 O ASN A 83 11.135 6.309 -4.220 1.00 0.34 O ATOM 746 CB ASN A 83 14.285 6.040 -3.905 1.00 0.47 C ATOM 747 CG ASN A 83 15.344 5.188 -3.230 1.00 1.11 C ATOM 748 OD1 ASN A 83 15.085 4.061 -2.808 1.00 1.94 O ATOM 749 ND2 ASN A 83 16.547 5.728 -3.114 1.00 1.73 N ATOM 0 H ASN A 83 14.793 4.685 -5.912 1.00 0.35 H new ATOM 0 HA ASN A 83 12.853 4.428 -3.966 1.00 0.37 H new ATOM 0 HB2 ASN A 83 14.765 6.707 -4.621 1.00 0.47 H new ATOM 0 HB3 ASN A 83 13.802 6.669 -3.157 1.00 0.47 H new ATOM 0 HD21 ASN A 83 17.298 5.207 -2.662 1.00 1.73 H new ATOM 0 HD22 ASN A 83 16.723 6.665 -3.477 1.00 1.73 H new ATOM 756 N THR A 84 12.114 6.685 -6.204 1.00 0.35 N ATOM 757 CA THR A 84 11.062 7.563 -6.688 1.00 0.39 C ATOM 758 C THR A 84 9.741 6.815 -6.824 1.00 0.32 C ATOM 759 O THR A 84 8.710 7.246 -6.298 1.00 0.33 O ATOM 760 CB THR A 84 11.455 8.179 -8.042 1.00 0.48 C ATOM 761 OG1 THR A 84 12.028 7.174 -8.890 1.00 1.02 O ATOM 762 CG2 THR A 84 12.448 9.313 -7.853 1.00 1.04 C ATOM 0 H THR A 84 12.881 6.546 -6.862 1.00 0.35 H new ATOM 0 HA THR A 84 10.933 8.361 -5.957 1.00 0.39 H new ATOM 0 HB THR A 84 10.555 8.579 -8.508 1.00 0.48 H new ATOM 0 HG1 THR A 84 12.274 7.573 -9.750 1.00 1.02 H new ATOM 0 HG21 THR A 84 12.711 9.732 -8.824 1.00 1.04 H new ATOM 0 HG22 THR A 84 12.000 10.089 -7.232 1.00 1.04 H new ATOM 0 HG23 THR A 84 13.347 8.933 -7.367 1.00 1.04 H new ATOM 770 N VAL A 85 9.781 5.681 -7.513 1.00 0.30 N ATOM 771 CA VAL A 85 8.602 4.845 -7.668 1.00 0.28 C ATOM 772 C VAL A 85 8.193 4.252 -6.324 1.00 0.22 C ATOM 773 O VAL A 85 7.011 4.211 -5.996 1.00 0.20 O ATOM 774 CB VAL A 85 8.838 3.712 -8.690 1.00 0.33 C ATOM 775 CG1 VAL A 85 7.611 2.821 -8.814 1.00 0.34 C ATOM 776 CG2 VAL A 85 9.215 4.286 -10.046 1.00 0.41 C ATOM 0 H VAL A 85 10.618 5.321 -7.972 1.00 0.30 H new ATOM 0 HA VAL A 85 7.798 5.478 -8.045 1.00 0.28 H new ATOM 0 HB VAL A 85 9.665 3.101 -8.328 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.806 2.032 -9.540 1.00 0.34 H new ATOM 0 HG12 VAL A 85 7.386 2.375 -7.845 1.00 0.34 H new ATOM 0 HG13 VAL A 85 6.761 3.417 -9.145 1.00 0.34 H new ATOM 0 HG21 VAL A 85 9.377 3.472 -10.753 1.00 0.41 H new ATOM 0 HG22 VAL A 85 8.409 4.925 -10.407 1.00 0.41 H new ATOM 0 HG23 VAL A 85 10.129 4.872 -9.952 1.00 0.41 H new ATOM 786 N LEU A 86 9.180 3.815 -5.546 1.00 0.24 N ATOM 787 CA LEU A 86 8.924 3.277 -4.214 1.00 0.25 C ATOM 788 C LEU A 86 8.210 4.306 -3.342 1.00 0.21 C ATOM 789 O LEU A 86 7.265 3.973 -2.626 1.00 0.23 O ATOM 790 CB LEU A 86 10.228 2.845 -3.538 1.00 0.33 C ATOM 791 CG LEU A 86 10.938 1.652 -4.179 1.00 0.37 C ATOM 792 CD1 LEU A 86 12.202 1.309 -3.406 1.00 0.44 C ATOM 793 CD2 LEU A 86 10.013 0.446 -4.242 1.00 0.37 C ATOM 0 H LEU A 86 10.164 3.823 -5.815 1.00 0.24 H new ATOM 0 HA LEU A 86 8.282 2.404 -4.329 1.00 0.25 H new ATOM 0 HB2 LEU A 86 10.913 3.693 -3.533 1.00 0.33 H new ATOM 0 HB3 LEU A 86 10.014 2.602 -2.497 1.00 0.33 H new ATOM 0 HG LEU A 86 11.215 1.926 -5.197 1.00 0.37 H new ATOM 0 HD11 LEU A 86 12.696 0.458 -3.875 1.00 0.44 H new ATOM 0 HD12 LEU A 86 12.875 2.166 -3.410 1.00 0.44 H new ATOM 0 HD13 LEU A 86 11.943 1.057 -2.378 1.00 0.44 H new ATOM 0 HD21 LEU A 86 10.538 -0.392 -4.701 1.00 0.37 H new ATOM 0 HD22 LEU A 86 9.704 0.171 -3.233 1.00 0.37 H new ATOM 0 HD23 LEU A 86 9.133 0.693 -4.836 1.00 0.37 H new ATOM 805 N GLY A 87 8.665 5.553 -3.416 1.00 0.21 N ATOM 806 CA GLY A 87 8.028 6.627 -2.677 1.00 0.22 C ATOM 807 C GLY A 87 6.584 6.819 -3.090 1.00 0.21 C ATOM 808 O GLY A 87 5.705 6.976 -2.243 1.00 0.23 O ATOM 0 H GLY A 87 9.467 5.839 -3.977 1.00 0.21 H new ATOM 0 HA2 GLY A 87 8.074 6.410 -1.610 1.00 0.22 H new ATOM 0 HA3 GLY A 87 8.578 7.554 -2.838 1.00 0.22 H new ATOM 812 N LYS A 88 6.339 6.790 -4.398 1.00 0.22 N ATOM 813 CA LYS A 88 4.978 6.869 -4.914 1.00 0.29 C ATOM 814 C LYS A 88 4.124 5.746 -4.337 1.00 0.22 C ATOM 815 O LYS A 88 2.986 5.966 -3.922 1.00 0.24 O ATOM 816 CB LYS A 88 4.960 6.779 -6.445 1.00 0.48 C ATOM 817 CG LYS A 88 5.614 7.955 -7.152 1.00 0.97 C ATOM 818 CD LYS A 88 5.330 7.944 -8.653 1.00 0.80 C ATOM 819 CE LYS A 88 5.906 6.715 -9.341 1.00 1.23 C ATOM 820 NZ LYS A 88 5.535 6.651 -10.784 1.00 1.71 N ATOM 0 H LYS A 88 7.061 6.713 -5.114 1.00 0.22 H new ATOM 0 HA LYS A 88 4.568 7.833 -4.613 1.00 0.29 H new ATOM 0 HB2 LYS A 88 5.465 5.862 -6.749 1.00 0.48 H new ATOM 0 HB3 LYS A 88 3.926 6.699 -6.780 1.00 0.48 H new ATOM 0 HG2 LYS A 88 5.250 8.887 -6.720 1.00 0.97 H new ATOM 0 HG3 LYS A 88 6.691 7.926 -6.986 1.00 0.97 H new ATOM 0 HD2 LYS A 88 4.253 7.978 -8.817 1.00 0.80 H new ATOM 0 HD3 LYS A 88 5.750 8.842 -9.107 1.00 0.80 H new ATOM 0 HE2 LYS A 88 6.992 6.724 -9.247 1.00 1.23 H new ATOM 0 HE3 LYS A 88 5.549 5.817 -8.836 1.00 1.23 H new ATOM 0 HZ1 LYS A 88 5.445 5.657 -11.076 1.00 1.71 H new ATOM 0 HZ2 LYS A 88 4.628 7.138 -10.931 1.00 1.71 H new ATOM 0 HZ3 LYS A 88 6.273 7.113 -11.353 1.00 1.71 H new ATOM 834 N ILE A 89 4.700 4.550 -4.282 1.00 0.20 N ATOM 835 CA ILE A 89 3.979 3.370 -3.820 1.00 0.20 C ATOM 836 C ILE A 89 3.608 3.529 -2.357 1.00 0.19 C ATOM 837 O ILE A 89 2.493 3.217 -1.947 1.00 0.21 O ATOM 838 CB ILE A 89 4.825 2.089 -3.998 1.00 0.23 C ATOM 839 CG1 ILE A 89 5.136 1.864 -5.475 1.00 0.31 C ATOM 840 CG2 ILE A 89 4.106 0.876 -3.416 1.00 0.22 C ATOM 841 CD1 ILE A 89 6.064 0.699 -5.733 1.00 0.40 C ATOM 0 H ILE A 89 5.667 4.372 -4.553 1.00 0.20 H new ATOM 0 HA ILE A 89 3.076 3.273 -4.422 1.00 0.20 H new ATOM 0 HB ILE A 89 5.762 2.220 -3.456 1.00 0.23 H new ATOM 0 HG12 ILE A 89 4.202 1.698 -6.012 1.00 0.31 H new ATOM 0 HG13 ILE A 89 5.583 2.770 -5.885 1.00 0.31 H new ATOM 0 HG21 ILE A 89 4.722 -0.013 -3.554 1.00 0.22 H new ATOM 0 HG22 ILE A 89 3.929 1.034 -2.352 1.00 0.22 H new ATOM 0 HG23 ILE A 89 3.152 0.739 -3.926 1.00 0.22 H new ATOM 0 HD11 ILE A 89 6.238 0.603 -6.805 1.00 0.40 H new ATOM 0 HD12 ILE A 89 7.013 0.871 -5.226 1.00 0.40 H new ATOM 0 HD13 ILE A 89 5.611 -0.218 -5.355 1.00 0.40 H new ATOM 853 N TRP A 90 4.552 4.043 -1.588 1.00 0.19 N ATOM 854 CA TRP A 90 4.369 4.246 -0.165 1.00 0.22 C ATOM 855 C TRP A 90 3.237 5.228 0.110 1.00 0.24 C ATOM 856 O TRP A 90 2.319 4.937 0.874 1.00 0.28 O ATOM 857 CB TRP A 90 5.668 4.769 0.447 1.00 0.25 C ATOM 858 CG TRP A 90 5.601 4.903 1.929 1.00 0.30 C ATOM 859 CD1 TRP A 90 5.462 6.055 2.640 1.00 0.45 C ATOM 860 CD2 TRP A 90 5.650 3.844 2.878 1.00 0.23 C ATOM 861 NE1 TRP A 90 5.422 5.775 3.979 1.00 0.46 N ATOM 862 CE2 TRP A 90 5.534 4.424 4.152 1.00 0.32 C ATOM 863 CE3 TRP A 90 5.782 2.460 2.775 1.00 0.16 C ATOM 864 CZ2 TRP A 90 5.546 3.667 5.313 1.00 0.29 C ATOM 865 CZ3 TRP A 90 5.789 1.709 3.931 1.00 0.18 C ATOM 866 CH2 TRP A 90 5.670 2.316 5.187 1.00 0.19 C ATOM 0 H TRP A 90 5.467 4.331 -1.935 1.00 0.19 H new ATOM 0 HA TRP A 90 4.106 3.290 0.288 1.00 0.22 H new ATOM 0 HB2 TRP A 90 6.484 4.095 0.185 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.904 5.739 0.010 1.00 0.25 H new ATOM 0 HD1 TRP A 90 5.393 7.044 2.211 1.00 0.45 H new ATOM 0 HE1 TRP A 90 5.324 6.463 4.726 1.00 0.46 H new ATOM 0 HE3 TRP A 90 5.877 1.986 1.809 1.00 0.16 H new ATOM 0 HZ2 TRP A 90 5.460 4.132 6.284 1.00 0.29 H new ATOM 0 HZ3 TRP A 90 5.888 0.635 3.867 1.00 0.18 H new ATOM 0 HH2 TRP A 90 5.677 1.701 6.074 1.00 0.19 H new ATOM 877 N LYS A 91 3.300 6.388 -0.532 1.00 0.24 N ATOM 878 CA LYS A 91 2.342 7.458 -0.272 1.00 0.30 C ATOM 879 C LYS A 91 0.947 7.115 -0.797 1.00 0.29 C ATOM 880 O LYS A 91 -0.037 7.730 -0.399 1.00 0.36 O ATOM 881 CB LYS A 91 2.824 8.773 -0.887 1.00 0.40 C ATOM 882 CG LYS A 91 4.243 9.155 -0.491 1.00 0.53 C ATOM 883 CD LYS A 91 4.431 9.217 1.022 1.00 1.04 C ATOM 884 CE LYS A 91 3.652 10.364 1.649 1.00 1.51 C ATOM 885 NZ LYS A 91 3.899 10.462 3.116 1.00 2.40 N ATOM 0 H LYS A 91 4.003 6.613 -1.236 1.00 0.24 H new ATOM 0 HA LYS A 91 2.272 7.572 0.810 1.00 0.30 H new ATOM 0 HB2 LYS A 91 2.768 8.697 -1.973 1.00 0.40 H new ATOM 0 HB3 LYS A 91 2.146 9.573 -0.588 1.00 0.40 H new ATOM 0 HG2 LYS A 91 4.941 8.431 -0.911 1.00 0.53 H new ATOM 0 HG3 LYS A 91 4.489 10.124 -0.924 1.00 0.53 H new ATOM 0 HD2 LYS A 91 4.109 8.275 1.466 1.00 1.04 H new ATOM 0 HD3 LYS A 91 5.491 9.331 1.251 1.00 1.04 H new ATOM 0 HE2 LYS A 91 3.935 11.301 1.169 1.00 1.51 H new ATOM 0 HE3 LYS A 91 2.587 10.222 1.468 1.00 1.51 H new ATOM 0 HZ1 LYS A 91 3.352 11.255 3.508 1.00 2.40 H new ATOM 0 HZ2 LYS A 91 3.606 9.577 3.577 1.00 2.40 H new ATOM 0 HZ3 LYS A 91 4.912 10.623 3.287 1.00 2.40 H new ATOM 899 N LEU A 92 0.866 6.145 -1.698 1.00 0.27 N ATOM 900 CA LEU A 92 -0.424 5.702 -2.222 1.00 0.32 C ATOM 901 C LEU A 92 -1.001 4.565 -1.394 1.00 0.30 C ATOM 902 O LEU A 92 -2.187 4.561 -1.071 1.00 0.43 O ATOM 903 CB LEU A 92 -0.287 5.226 -3.658 1.00 0.40 C ATOM 904 CG LEU A 92 0.133 6.287 -4.671 1.00 0.59 C ATOM 905 CD1 LEU A 92 0.418 5.623 -6.002 1.00 0.85 C ATOM 906 CD2 LEU A 92 -0.945 7.359 -4.814 1.00 1.08 C ATOM 0 H LEU A 92 1.672 5.651 -2.081 1.00 0.27 H new ATOM 0 HA LEU A 92 -1.095 6.559 -2.174 1.00 0.32 H new ATOM 0 HB2 LEU A 92 0.442 4.416 -3.685 1.00 0.40 H new ATOM 0 HB3 LEU A 92 -1.242 4.806 -3.975 1.00 0.40 H new ATOM 0 HG LEU A 92 1.039 6.780 -4.318 1.00 0.59 H new ATOM 0 HD11 LEU A 92 0.718 6.378 -6.728 1.00 0.85 H new ATOM 0 HD12 LEU A 92 1.221 4.896 -5.881 1.00 0.85 H new ATOM 0 HD13 LEU A 92 -0.480 5.116 -6.356 1.00 0.85 H new ATOM 0 HD21 LEU A 92 -0.623 8.104 -5.541 1.00 1.08 H new ATOM 0 HD22 LEU A 92 -1.873 6.899 -5.153 1.00 1.08 H new ATOM 0 HD23 LEU A 92 -1.110 7.840 -3.850 1.00 1.08 H new ATOM 918 N ALA A 93 -0.158 3.592 -1.076 1.00 0.22 N ATOM 919 CA ALA A 93 -0.602 2.400 -0.371 1.00 0.21 C ATOM 920 C ALA A 93 -0.951 2.711 1.071 1.00 0.19 C ATOM 921 O ALA A 93 -1.766 2.022 1.680 1.00 0.30 O ATOM 922 CB ALA A 93 0.462 1.316 -0.423 1.00 0.23 C ATOM 0 H ALA A 93 0.838 3.606 -1.296 1.00 0.22 H new ATOM 0 HA ALA A 93 -1.500 2.039 -0.872 1.00 0.21 H new ATOM 0 HB1 ALA A 93 0.109 0.434 0.111 1.00 0.23 H new ATOM 0 HB2 ALA A 93 0.665 1.055 -1.462 1.00 0.23 H new ATOM 0 HB3 ALA A 93 1.376 1.681 0.045 1.00 0.23 H new ATOM 928 N ASP A 94 -0.328 3.745 1.619 1.00 0.18 N ATOM 929 CA ASP A 94 -0.605 4.127 2.997 1.00 0.18 C ATOM 930 C ASP A 94 -1.649 5.229 3.051 1.00 0.33 C ATOM 931 O ASP A 94 -1.339 6.416 2.933 1.00 0.45 O ATOM 932 CB ASP A 94 0.656 4.564 3.749 1.00 0.30 C ATOM 933 CG ASP A 94 0.359 4.881 5.205 1.00 0.25 C ATOM 934 OD1 ASP A 94 -0.315 4.055 5.875 1.00 0.30 O ATOM 935 OD2 ASP A 94 0.795 5.945 5.688 1.00 0.31 O ATOM 0 H ASP A 94 0.361 4.326 1.141 1.00 0.18 H new ATOM 0 HA ASP A 94 -0.992 3.238 3.495 1.00 0.18 H new ATOM 0 HB2 ASP A 94 1.405 3.774 3.694 1.00 0.30 H new ATOM 0 HB3 ASP A 94 1.083 5.442 3.265 1.00 0.30 H new ATOM 940 N VAL A 95 -2.891 4.816 3.234 1.00 0.51 N ATOM 941 CA VAL A 95 -4.010 5.745 3.291 1.00 0.71 C ATOM 942 C VAL A 95 -4.052 6.497 4.609 1.00 0.72 C ATOM 943 O VAL A 95 -4.738 7.514 4.737 1.00 0.80 O ATOM 944 CB VAL A 95 -5.357 5.034 3.101 1.00 0.97 C ATOM 945 CG1 VAL A 95 -5.583 4.688 1.640 1.00 1.28 C ATOM 946 CG2 VAL A 95 -5.434 3.782 3.962 1.00 0.95 C ATOM 0 H VAL A 95 -3.153 3.837 3.347 1.00 0.51 H new ATOM 0 HA VAL A 95 -3.852 6.448 2.473 1.00 0.71 H new ATOM 0 HB VAL A 95 -6.145 5.717 3.418 1.00 0.97 H new ATOM 0 HG11 VAL A 95 -6.544 4.185 1.530 1.00 1.28 H new ATOM 0 HG12 VAL A 95 -5.581 5.601 1.045 1.00 1.28 H new ATOM 0 HG13 VAL A 95 -4.786 4.029 1.295 1.00 1.28 H new ATOM 0 HG21 VAL A 95 -6.397 3.295 3.811 1.00 0.95 H new ATOM 0 HG22 VAL A 95 -4.633 3.098 3.681 1.00 0.95 H new ATOM 0 HG23 VAL A 95 -5.326 4.055 5.012 1.00 0.95 H new ATOM 956 N ASP A 96 -3.333 5.990 5.589 1.00 0.70 N ATOM 957 CA ASP A 96 -3.308 6.611 6.901 1.00 0.78 C ATOM 958 C ASP A 96 -2.441 7.845 6.894 1.00 0.75 C ATOM 959 O ASP A 96 -2.629 8.745 7.714 1.00 0.88 O ATOM 960 CB ASP A 96 -2.715 5.677 7.924 1.00 0.96 C ATOM 961 CG ASP A 96 -3.350 4.318 7.969 1.00 0.75 C ATOM 962 OD1 ASP A 96 -4.515 4.203 8.406 1.00 1.02 O ATOM 963 OD2 ASP A 96 -2.664 3.349 7.578 1.00 1.12 O ATOM 0 H ASP A 96 -2.759 5.151 5.504 1.00 0.70 H new ATOM 0 HA ASP A 96 -4.340 6.860 7.150 1.00 0.78 H new ATOM 0 HB2 ASP A 96 -1.651 5.560 7.717 1.00 0.96 H new ATOM 0 HB3 ASP A 96 -2.800 6.136 8.909 1.00 0.96 H new ATOM 968 N LYS A 97 -1.487 7.868 5.965 1.00 0.66 N ATOM 969 CA LYS A 97 -0.522 8.954 5.861 1.00 0.70 C ATOM 970 C LYS A 97 0.311 9.018 7.140 1.00 0.70 C ATOM 971 O LYS A 97 0.719 10.098 7.576 1.00 0.86 O ATOM 972 CB LYS A 97 -1.246 10.286 5.621 1.00 0.86 C ATOM 973 CG LYS A 97 -2.481 10.144 4.740 1.00 0.89 C ATOM 974 CD LYS A 97 -3.088 11.488 4.375 1.00 1.15 C ATOM 975 CE LYS A 97 -4.390 11.311 3.609 1.00 1.38 C ATOM 976 NZ LYS A 97 -5.025 12.611 3.273 1.00 1.68 N ATOM 0 H LYS A 97 -1.364 7.135 5.266 1.00 0.66 H new ATOM 0 HA LYS A 97 0.140 8.770 5.015 1.00 0.70 H new ATOM 0 HB2 LYS A 97 -1.539 10.712 6.581 1.00 0.86 H new ATOM 0 HB3 LYS A 97 -0.555 10.990 5.157 1.00 0.86 H new ATOM 0 HG2 LYS A 97 -2.214 9.609 3.829 1.00 0.89 H new ATOM 0 HG3 LYS A 97 -3.226 9.540 5.258 1.00 0.89 H new ATOM 0 HD2 LYS A 97 -3.271 12.066 5.281 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -2.382 12.058 3.771 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -4.197 10.755 2.691 1.00 1.38 H new ATOM 0 HE3 LYS A 97 -5.081 10.714 4.204 1.00 1.38 H new ATOM 0 HZ1 LYS A 97 -5.909 12.441 2.752 1.00 1.68 H new ATOM 0 HZ2 LYS A 97 -5.234 13.132 4.149 1.00 1.68 H new ATOM 0 HZ3 LYS A 97 -4.377 13.172 2.683 1.00 1.68 H new ATOM 990 N ASP A 98 0.578 7.852 7.732 1.00 0.56 N ATOM 991 CA ASP A 98 1.251 7.800 9.027 1.00 0.59 C ATOM 992 C ASP A 98 2.439 6.844 9.014 1.00 0.45 C ATOM 993 O ASP A 98 3.039 6.576 10.059 1.00 0.46 O ATOM 994 CB ASP A 98 0.265 7.362 10.116 1.00 0.67 C ATOM 995 CG ASP A 98 -0.081 5.875 10.070 1.00 0.62 C ATOM 996 OD1 ASP A 98 0.039 5.238 8.992 1.00 0.58 O ATOM 997 OD2 ASP A 98 -0.506 5.346 11.122 1.00 0.71 O ATOM 0 H ASP A 98 0.341 6.941 7.339 1.00 0.56 H new ATOM 0 HA ASP A 98 1.623 8.803 9.238 1.00 0.59 H new ATOM 0 HB2 ASP A 98 0.688 7.597 11.093 1.00 0.67 H new ATOM 0 HB3 ASP A 98 -0.652 7.942 10.018 1.00 0.67 H new ATOM 1002 N GLY A 99 2.788 6.347 7.836 1.00 0.39 N ATOM 1003 CA GLY A 99 3.957 5.495 7.708 1.00 0.38 C ATOM 1004 C GLY A 99 3.756 4.107 8.298 1.00 0.29 C ATOM 1005 O GLY A 99 4.721 3.361 8.487 1.00 0.39 O ATOM 0 H GLY A 99 2.284 6.517 6.966 1.00 0.39 H new ATOM 0 HA2 GLY A 99 4.216 5.400 6.653 1.00 0.38 H new ATOM 0 HA3 GLY A 99 4.803 5.973 8.202 1.00 0.38 H new ATOM 1009 N LEU A 100 2.515 3.761 8.608 1.00 0.28 N ATOM 1010 CA LEU A 100 2.203 2.429 9.100 1.00 0.33 C ATOM 1011 C LEU A 100 1.374 1.679 8.082 1.00 0.29 C ATOM 1012 O LEU A 100 0.330 2.174 7.640 1.00 0.39 O ATOM 1013 CB LEU A 100 1.438 2.489 10.421 1.00 0.53 C ATOM 1014 CG LEU A 100 2.242 2.943 11.636 1.00 0.59 C ATOM 1015 CD1 LEU A 100 1.347 2.969 12.864 1.00 1.37 C ATOM 1016 CD2 LEU A 100 3.432 2.024 11.860 1.00 1.11 C ATOM 0 H LEU A 100 1.710 4.383 8.528 1.00 0.28 H new ATOM 0 HA LEU A 100 3.147 1.909 9.266 1.00 0.33 H new ATOM 0 HB2 LEU A 100 0.590 3.163 10.298 1.00 0.53 H new ATOM 0 HB3 LEU A 100 1.031 1.499 10.628 1.00 0.53 H new ATOM 0 HG LEU A 100 2.620 3.949 11.455 1.00 0.59 H new ATOM 0 HD11 LEU A 100 1.925 3.294 13.729 1.00 1.37 H new ATOM 0 HD12 LEU A 100 0.522 3.662 12.698 1.00 1.37 H new ATOM 0 HD13 LEU A 100 0.951 1.970 13.047 1.00 1.37 H new ATOM 0 HD21 LEU A 100 3.994 2.362 12.730 1.00 1.11 H new ATOM 0 HD22 LEU A 100 3.079 1.007 12.029 1.00 1.11 H new ATOM 0 HD23 LEU A 100 4.077 2.043 10.981 1.00 1.11 H new ATOM 1028 N LEU A 101 1.826 0.489 7.722 1.00 0.28 N ATOM 1029 CA LEU A 101 1.119 -0.317 6.746 1.00 0.27 C ATOM 1030 C LEU A 101 0.336 -1.437 7.416 1.00 0.27 C ATOM 1031 O LEU A 101 0.914 -2.351 8.013 1.00 0.31 O ATOM 1032 CB LEU A 101 2.084 -0.908 5.713 1.00 0.29 C ATOM 1033 CG LEU A 101 2.725 0.091 4.745 1.00 0.30 C ATOM 1034 CD1 LEU A 101 3.515 -0.663 3.691 1.00 0.34 C ATOM 1035 CD2 LEU A 101 1.674 0.971 4.084 1.00 0.34 C ATOM 0 H LEU A 101 2.676 0.063 8.090 1.00 0.28 H new ATOM 0 HA LEU A 101 0.417 0.342 6.235 1.00 0.27 H new ATOM 0 HB2 LEU A 101 2.880 -1.430 6.245 1.00 0.29 H new ATOM 0 HB3 LEU A 101 1.547 -1.656 5.129 1.00 0.29 H new ATOM 0 HG LEU A 101 3.394 0.740 5.310 1.00 0.30 H new ATOM 0 HD11 LEU A 101 3.972 0.047 3.001 1.00 0.34 H new ATOM 0 HD12 LEU A 101 4.294 -1.253 4.173 1.00 0.34 H new ATOM 0 HD13 LEU A 101 2.847 -1.325 3.140 1.00 0.34 H new ATOM 0 HD21 LEU A 101 2.160 1.669 3.403 1.00 0.34 H new ATOM 0 HD22 LEU A 101 0.975 0.347 3.526 1.00 0.34 H new ATOM 0 HD23 LEU A 101 1.132 1.528 4.849 1.00 0.34 H new ATOM 1047 N ASP A 102 -0.982 -1.339 7.339 1.00 0.28 N ATOM 1048 CA ASP A 102 -1.853 -2.452 7.695 1.00 0.33 C ATOM 1049 C ASP A 102 -1.700 -3.541 6.642 1.00 0.26 C ATOM 1050 O ASP A 102 -1.087 -3.309 5.594 1.00 0.24 O ATOM 1051 CB ASP A 102 -3.314 -1.999 7.764 1.00 0.44 C ATOM 1052 CG ASP A 102 -3.572 -1.012 8.882 1.00 0.82 C ATOM 1053 OD1 ASP A 102 -3.313 0.192 8.684 1.00 1.06 O ATOM 1054 OD2 ASP A 102 -4.029 -1.437 9.964 1.00 1.39 O ATOM 0 H ASP A 102 -1.474 -0.500 7.033 1.00 0.28 H new ATOM 0 HA ASP A 102 -1.571 -2.832 8.677 1.00 0.33 H new ATOM 0 HB2 ASP A 102 -3.594 -1.545 6.813 1.00 0.44 H new ATOM 0 HB3 ASP A 102 -3.954 -2.871 7.901 1.00 0.44 H new ATOM 1059 N ASP A 103 -2.258 -4.718 6.892 1.00 0.32 N ATOM 1060 CA ASP A 103 -2.084 -5.843 5.970 1.00 0.35 C ATOM 1061 C ASP A 103 -2.693 -5.522 4.607 1.00 0.26 C ATOM 1062 O ASP A 103 -2.211 -5.990 3.570 1.00 0.24 O ATOM 1063 CB ASP A 103 -2.688 -7.136 6.538 1.00 0.56 C ATOM 1064 CG ASP A 103 -4.205 -7.181 6.470 1.00 0.77 C ATOM 1065 OD1 ASP A 103 -4.856 -6.640 7.387 1.00 1.69 O ATOM 1066 OD2 ASP A 103 -4.749 -7.735 5.494 1.00 1.17 O ATOM 0 H ASP A 103 -2.828 -4.922 7.713 1.00 0.32 H new ATOM 0 HA ASP A 103 -1.013 -6.003 5.845 1.00 0.35 H new ATOM 0 HB2 ASP A 103 -2.283 -7.987 5.991 1.00 0.56 H new ATOM 0 HB3 ASP A 103 -2.376 -7.247 7.576 1.00 0.56 H new ATOM 1071 N GLU A 104 -3.741 -4.707 4.615 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.390 -4.273 3.385 1.00 0.25 C ATOM 1073 C GLU A 104 -3.453 -3.374 2.589 1.00 0.22 C ATOM 1074 O GLU A 104 -3.276 -3.546 1.382 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.667 -3.495 3.698 1.00 0.32 C ATOM 1076 CG GLU A 104 -6.523 -4.122 4.780 1.00 0.32 C ATOM 1077 CD GLU A 104 -7.671 -3.224 5.200 1.00 1.28 C ATOM 1078 OE1 GLU A 104 -8.670 -3.158 4.464 1.00 1.38 O ATOM 1079 OE2 GLU A 104 -7.566 -2.575 6.261 1.00 2.29 O ATOM 0 H GLU A 104 -4.161 -4.332 5.465 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.639 -5.160 2.802 1.00 0.25 H new ATOM 0 HB2 GLU A 104 -5.398 -2.484 4.003 1.00 0.32 H new ATOM 0 HB3 GLU A 104 -6.259 -3.407 2.787 1.00 0.32 H new ATOM 0 HG2 GLU A 104 -6.920 -5.071 4.421 1.00 0.32 H new ATOM 0 HG3 GLU A 104 -5.902 -4.344 5.648 1.00 0.32 H new ATOM 1086 N GLU A 105 -2.850 -2.419 3.291 1.00 0.18 N ATOM 1087 CA GLU A 105 -1.968 -1.443 2.672 1.00 0.18 C ATOM 1088 C GLU A 105 -0.722 -2.115 2.108 1.00 0.17 C ATOM 1089 O GLU A 105 -0.260 -1.782 1.017 1.00 0.17 O ATOM 1090 CB GLU A 105 -1.552 -0.382 3.685 1.00 0.20 C ATOM 1091 CG GLU A 105 -2.712 0.366 4.318 1.00 0.24 C ATOM 1092 CD GLU A 105 -2.236 1.469 5.238 1.00 0.31 C ATOM 1093 OE1 GLU A 105 -1.605 1.187 6.262 1.00 0.34 O ATOM 1094 OE2 GLU A 105 -2.511 2.650 4.963 1.00 0.39 O ATOM 0 H GLU A 105 -2.960 -2.303 4.298 1.00 0.18 H new ATOM 0 HA GLU A 105 -2.516 -0.971 1.856 1.00 0.18 H new ATOM 0 HB2 GLU A 105 -0.968 -0.858 4.473 1.00 0.20 H new ATOM 0 HB3 GLU A 105 -0.897 0.337 3.193 1.00 0.20 H new ATOM 0 HG2 GLU A 105 -3.340 0.792 3.535 1.00 0.24 H new ATOM 0 HG3 GLU A 105 -3.332 -0.333 4.879 1.00 0.24 H new ATOM 1101 N PHE A 106 -0.177 -3.062 2.865 1.00 0.17 N ATOM 1102 CA PHE A 106 1.010 -3.787 2.435 1.00 0.18 C ATOM 1103 C PHE A 106 0.691 -4.633 1.207 1.00 0.18 C ATOM 1104 O PHE A 106 1.536 -4.812 0.322 1.00 0.21 O ATOM 1105 CB PHE A 106 1.553 -4.662 3.570 1.00 0.21 C ATOM 1106 CG PHE A 106 2.841 -5.350 3.231 1.00 0.22 C ATOM 1107 CD1 PHE A 106 3.972 -4.614 2.921 1.00 0.25 C ATOM 1108 CD2 PHE A 106 2.921 -6.730 3.223 1.00 0.25 C ATOM 1109 CE1 PHE A 106 5.159 -5.242 2.606 1.00 0.28 C ATOM 1110 CE2 PHE A 106 4.105 -7.367 2.911 1.00 0.29 C ATOM 1111 CZ PHE A 106 5.226 -6.621 2.600 1.00 0.29 C ATOM 0 H PHE A 106 -0.538 -3.344 3.776 1.00 0.17 H new ATOM 0 HA PHE A 106 1.782 -3.064 2.169 1.00 0.18 H new ATOM 0 HB2 PHE A 106 1.703 -4.044 4.455 1.00 0.21 H new ATOM 0 HB3 PHE A 106 0.806 -5.413 3.828 1.00 0.21 H new ATOM 0 HD1 PHE A 106 3.924 -3.535 2.926 1.00 0.25 H new ATOM 0 HD2 PHE A 106 2.047 -7.317 3.464 1.00 0.25 H new ATOM 0 HE1 PHE A 106 6.034 -4.656 2.365 1.00 0.28 H new ATOM 0 HE2 PHE A 106 4.155 -8.446 2.910 1.00 0.29 H new ATOM 0 HZ PHE A 106 6.153 -7.116 2.353 1.00 0.29 H new ATOM 1121 N ALA A 107 -0.539 -5.131 1.143 1.00 0.19 N ATOM 1122 CA ALA A 107 -0.998 -5.866 -0.022 1.00 0.24 C ATOM 1123 C ALA A 107 -1.010 -4.957 -1.247 1.00 0.23 C ATOM 1124 O ALA A 107 -0.561 -5.344 -2.326 1.00 0.25 O ATOM 1125 CB ALA A 107 -2.376 -6.451 0.229 1.00 0.34 C ATOM 0 H ALA A 107 -1.233 -5.037 1.885 1.00 0.19 H new ATOM 0 HA ALA A 107 -0.309 -6.689 -0.211 1.00 0.24 H new ATOM 0 HB1 ALA A 107 -2.705 -6.999 -0.654 1.00 0.34 H new ATOM 0 HB2 ALA A 107 -2.334 -7.129 1.082 1.00 0.34 H new ATOM 0 HB3 ALA A 107 -3.080 -5.646 0.440 1.00 0.34 H new ATOM 1131 N LEU A 108 -1.513 -3.738 -1.068 1.00 0.24 N ATOM 1132 CA LEU A 108 -1.513 -2.749 -2.136 1.00 0.28 C ATOM 1133 C LEU A 108 -0.084 -2.404 -2.550 1.00 0.23 C ATOM 1134 O LEU A 108 0.216 -2.283 -3.740 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.244 -1.484 -1.692 1.00 0.38 C ATOM 1136 CG LEU A 108 -3.750 -1.634 -1.470 1.00 0.93 C ATOM 1137 CD1 LEU A 108 -4.341 -0.331 -0.955 1.00 1.74 C ATOM 1138 CD2 LEU A 108 -4.438 -2.060 -2.760 1.00 1.31 C ATOM 0 H LEU A 108 -1.925 -3.414 -0.193 1.00 0.24 H new ATOM 0 HA LEU A 108 -2.033 -3.176 -2.994 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -1.792 -1.131 -0.765 1.00 0.38 H new ATOM 0 HB3 LEU A 108 -2.081 -0.710 -2.442 1.00 0.38 H new ATOM 0 HG LEU A 108 -3.915 -2.408 -0.721 1.00 0.93 H new ATOM 0 HD11 LEU A 108 -5.413 -0.453 -0.802 1.00 1.74 H new ATOM 0 HD12 LEU A 108 -3.867 -0.065 -0.010 1.00 1.74 H new ATOM 0 HD13 LEU A 108 -4.167 0.461 -1.684 1.00 1.74 H new ATOM 0 HD21 LEU A 108 -5.509 -2.162 -2.585 1.00 1.31 H new ATOM 0 HD22 LEU A 108 -4.267 -1.307 -3.530 1.00 1.31 H new ATOM 0 HD23 LEU A 108 -4.032 -3.016 -3.091 1.00 1.31 H new ATOM 1150 N ALA A 109 0.789 -2.262 -1.559 1.00 0.23 N ATOM 1151 CA ALA A 109 2.194 -1.963 -1.806 1.00 0.24 C ATOM 1152 C ALA A 109 2.829 -3.017 -2.703 1.00 0.23 C ATOM 1153 O ALA A 109 3.372 -2.695 -3.759 1.00 0.24 O ATOM 1154 CB ALA A 109 2.960 -1.859 -0.492 1.00 0.27 C ATOM 0 H ALA A 109 0.546 -2.350 -0.572 1.00 0.23 H new ATOM 0 HA ALA A 109 2.246 -1.002 -2.318 1.00 0.24 H new ATOM 0 HB1 ALA A 109 4.007 -1.635 -0.698 1.00 0.27 H new ATOM 0 HB2 ALA A 109 2.532 -1.063 0.117 1.00 0.27 H new ATOM 0 HB3 ALA A 109 2.890 -2.804 0.046 1.00 0.27 H new ATOM 1160 N ASN A 110 2.736 -4.277 -2.289 1.00 0.24 N ATOM 1161 CA ASN A 110 3.328 -5.380 -3.044 1.00 0.26 C ATOM 1162 C ASN A 110 2.695 -5.496 -4.422 1.00 0.25 C ATOM 1163 O ASN A 110 3.378 -5.788 -5.404 1.00 0.26 O ATOM 1164 CB ASN A 110 3.185 -6.702 -2.286 1.00 0.28 C ATOM 1165 CG ASN A 110 4.185 -6.858 -1.151 1.00 0.31 C ATOM 1166 OD1 ASN A 110 4.622 -5.746 -0.571 1.00 0.70 O flip ATOM 1167 ND2 ASN A 110 4.569 -7.972 -0.804 1.00 0.55 N flip ATOM 0 H ASN A 110 2.257 -4.561 -1.435 1.00 0.24 H new ATOM 0 HA ASN A 110 4.389 -5.165 -3.167 1.00 0.26 H new ATOM 0 HB2 ASN A 110 2.175 -6.774 -1.883 1.00 0.28 H new ATOM 0 HB3 ASN A 110 3.309 -7.529 -2.986 1.00 0.28 H new ATOM 0 HD21 ASN A 110 4.211 -8.804 -1.273 1.00 0.55 H new ATOM 0 HD22 ASN A 110 5.246 -8.065 -0.047 1.00 0.55 H new ATOM 1174 N HIS A 111 1.393 -5.251 -4.493 1.00 0.24 N ATOM 1175 CA HIS A 111 0.687 -5.259 -5.768 1.00 0.26 C ATOM 1176 C HIS A 111 1.295 -4.242 -6.732 1.00 0.24 C ATOM 1177 O HIS A 111 1.611 -4.573 -7.870 1.00 0.27 O ATOM 1178 CB HIS A 111 -0.804 -4.969 -5.554 1.00 0.28 C ATOM 1179 CG HIS A 111 -1.610 -4.909 -6.819 1.00 0.44 C ATOM 1180 ND1 HIS A 111 -1.869 -6.011 -7.607 1.00 0.62 N ATOM 1181 CD2 HIS A 111 -2.227 -3.865 -7.425 1.00 0.61 C ATOM 1182 CE1 HIS A 111 -2.610 -5.647 -8.639 1.00 0.75 C ATOM 1183 NE2 HIS A 111 -2.838 -4.353 -8.550 1.00 0.73 N ATOM 0 H HIS A 111 0.806 -5.045 -3.685 1.00 0.24 H new ATOM 0 HA HIS A 111 0.790 -6.250 -6.210 1.00 0.26 H new ATOM 0 HB2 HIS A 111 -1.223 -5.740 -4.907 1.00 0.28 H new ATOM 0 HB3 HIS A 111 -0.906 -4.020 -5.027 1.00 0.28 H new ATOM 0 HD2 HIS A 111 -2.235 -2.840 -7.085 1.00 0.61 H new ATOM 0 HE1 HIS A 111 -2.968 -6.299 -9.422 1.00 0.75 H new ATOM 0 HE2 HIS A 111 -3.383 -3.802 -9.213 1.00 0.73 H new ATOM 1192 N LEU A 112 1.470 -3.011 -6.260 1.00 0.24 N ATOM 1193 CA LEU A 112 2.026 -1.940 -7.084 1.00 0.23 C ATOM 1194 C LEU A 112 3.466 -2.245 -7.491 1.00 0.24 C ATOM 1195 O LEU A 112 3.918 -1.846 -8.568 1.00 0.27 O ATOM 1196 CB LEU A 112 1.978 -0.609 -6.332 1.00 0.23 C ATOM 1197 CG LEU A 112 0.578 -0.095 -5.998 1.00 0.20 C ATOM 1198 CD1 LEU A 112 0.665 1.197 -5.201 1.00 0.23 C ATOM 1199 CD2 LEU A 112 -0.225 0.122 -7.272 1.00 0.22 C ATOM 0 H LEU A 112 1.234 -2.729 -5.309 1.00 0.24 H new ATOM 0 HA LEU A 112 1.419 -1.869 -7.986 1.00 0.23 H new ATOM 0 HB2 LEU A 112 2.539 -0.715 -5.403 1.00 0.23 H new ATOM 0 HB3 LEU A 112 2.491 0.145 -6.929 1.00 0.23 H new ATOM 0 HG LEU A 112 0.069 -0.844 -5.391 1.00 0.20 H new ATOM 0 HD11 LEU A 112 -0.340 1.551 -4.971 1.00 0.23 H new ATOM 0 HD12 LEU A 112 1.208 1.016 -4.273 1.00 0.23 H new ATOM 0 HD13 LEU A 112 1.190 1.951 -5.787 1.00 0.23 H new ATOM 0 HD21 LEU A 112 -1.220 0.488 -7.017 1.00 0.22 H new ATOM 0 HD22 LEU A 112 0.281 0.854 -7.901 1.00 0.22 H new ATOM 0 HD23 LEU A 112 -0.313 -0.821 -7.812 1.00 0.22 H new ATOM 1211 N ILE A 113 4.166 -2.986 -6.641 1.00 0.28 N ATOM 1212 CA ILE A 113 5.568 -3.291 -6.877 1.00 0.32 C ATOM 1213 C ILE A 113 5.680 -4.340 -7.959 1.00 0.35 C ATOM 1214 O ILE A 113 6.515 -4.251 -8.857 1.00 0.38 O ATOM 1215 CB ILE A 113 6.265 -3.798 -5.594 1.00 0.37 C ATOM 1216 CG1 ILE A 113 6.335 -2.684 -4.550 1.00 0.37 C ATOM 1217 CG2 ILE A 113 7.661 -4.319 -5.907 1.00 0.46 C ATOM 1218 CD1 ILE A 113 6.893 -3.130 -3.216 1.00 0.43 C ATOM 0 H ILE A 113 3.785 -3.386 -5.784 1.00 0.28 H new ATOM 0 HA ILE A 113 6.065 -2.372 -7.190 1.00 0.32 H new ATOM 0 HB ILE A 113 5.676 -4.621 -5.188 1.00 0.37 H new ATOM 0 HG12 ILE A 113 6.952 -1.873 -4.938 1.00 0.37 H new ATOM 0 HG13 ILE A 113 5.335 -2.279 -4.397 1.00 0.37 H new ATOM 0 HG21 ILE A 113 8.132 -4.670 -4.989 1.00 0.46 H new ATOM 0 HG22 ILE A 113 7.591 -5.143 -6.618 1.00 0.46 H new ATOM 0 HG23 ILE A 113 8.260 -3.517 -6.339 1.00 0.46 H new ATOM 0 HD11 ILE A 113 6.911 -2.285 -2.528 1.00 0.43 H new ATOM 0 HD12 ILE A 113 6.264 -3.919 -2.804 1.00 0.43 H new ATOM 0 HD13 ILE A 113 7.906 -3.508 -3.353 1.00 0.43 H new ATOM 1230 N LYS A 114 4.810 -5.326 -7.866 1.00 0.38 N ATOM 1231 CA LYS A 114 4.738 -6.377 -8.854 1.00 0.46 C ATOM 1232 C LYS A 114 4.296 -5.819 -10.210 1.00 0.45 C ATOM 1233 O LYS A 114 4.783 -6.249 -11.249 1.00 0.49 O ATOM 1234 CB LYS A 114 3.806 -7.484 -8.354 1.00 0.57 C ATOM 1235 CG LYS A 114 3.244 -8.361 -9.449 1.00 0.71 C ATOM 1236 CD LYS A 114 3.102 -9.812 -8.996 1.00 0.79 C ATOM 1237 CE LYS A 114 2.166 -9.960 -7.808 1.00 1.39 C ATOM 1238 NZ LYS A 114 2.095 -11.369 -7.325 1.00 1.81 N ATOM 0 H LYS A 114 4.137 -5.419 -7.105 1.00 0.38 H new ATOM 0 HA LYS A 114 5.728 -6.808 -9.000 1.00 0.46 H new ATOM 0 HB2 LYS A 114 4.350 -8.109 -7.646 1.00 0.57 H new ATOM 0 HB3 LYS A 114 2.980 -7.029 -7.808 1.00 0.57 H new ATOM 0 HG2 LYS A 114 2.271 -7.979 -9.757 1.00 0.71 H new ATOM 0 HG3 LYS A 114 3.895 -8.315 -10.322 1.00 0.71 H new ATOM 0 HD2 LYS A 114 2.730 -10.414 -9.825 1.00 0.79 H new ATOM 0 HD3 LYS A 114 4.084 -10.205 -8.732 1.00 0.79 H new ATOM 0 HE2 LYS A 114 2.505 -9.315 -6.997 1.00 1.39 H new ATOM 0 HE3 LYS A 114 1.168 -9.622 -8.088 1.00 1.39 H new ATOM 0 HZ1 LYS A 114 1.571 -11.402 -6.427 1.00 1.81 H new ATOM 0 HZ2 LYS A 114 1.607 -11.954 -8.033 1.00 1.81 H new ATOM 0 HZ3 LYS A 114 3.057 -11.734 -7.178 1.00 1.81 H new ATOM 1252 N VAL A 115 3.399 -4.835 -10.189 1.00 0.43 N ATOM 1253 CA VAL A 115 2.972 -4.161 -11.411 1.00 0.46 C ATOM 1254 C VAL A 115 4.162 -3.485 -12.092 1.00 0.43 C ATOM 1255 O VAL A 115 4.426 -3.715 -13.276 1.00 0.48 O ATOM 1256 CB VAL A 115 1.865 -3.117 -11.134 1.00 0.50 C ATOM 1257 CG1 VAL A 115 1.576 -2.282 -12.375 1.00 0.91 C ATOM 1258 CG2 VAL A 115 0.593 -3.804 -10.658 1.00 0.76 C ATOM 0 H VAL A 115 2.955 -4.488 -9.339 1.00 0.43 H new ATOM 0 HA VAL A 115 2.560 -4.922 -12.074 1.00 0.46 H new ATOM 0 HB VAL A 115 2.222 -2.450 -10.349 1.00 0.50 H new ATOM 0 HG11 VAL A 115 0.794 -1.556 -12.151 1.00 0.91 H new ATOM 0 HG12 VAL A 115 2.482 -1.757 -12.679 1.00 0.91 H new ATOM 0 HG13 VAL A 115 1.245 -2.934 -13.183 1.00 0.91 H new ATOM 0 HG21 VAL A 115 -0.176 -3.055 -10.468 1.00 0.76 H new ATOM 0 HG22 VAL A 115 0.244 -4.495 -11.425 1.00 0.76 H new ATOM 0 HG23 VAL A 115 0.798 -4.354 -9.740 1.00 0.76 H new ATOM 1268 N LYS A 116 4.873 -2.645 -11.344 1.00 0.40 N ATOM 1269 CA LYS A 116 6.073 -2.008 -11.831 1.00 0.41 C ATOM 1270 C LYS A 116 7.091 -3.032 -12.330 1.00 0.47 C ATOM 1271 O LYS A 116 7.624 -2.903 -13.434 1.00 0.54 O ATOM 1272 CB LYS A 116 6.676 -1.172 -10.706 1.00 0.39 C ATOM 1273 CG LYS A 116 7.761 -0.244 -11.184 1.00 0.88 C ATOM 1274 CD LYS A 116 7.303 0.513 -12.409 1.00 0.77 C ATOM 1275 CE LYS A 116 8.345 1.493 -12.864 1.00 0.85 C ATOM 1276 NZ LYS A 116 7.987 2.097 -14.171 1.00 1.06 N ATOM 0 H LYS A 116 4.626 -2.393 -10.387 1.00 0.40 H new ATOM 0 HA LYS A 116 5.813 -1.371 -12.676 1.00 0.41 H new ATOM 0 HB2 LYS A 116 5.888 -0.588 -10.232 1.00 0.39 H new ATOM 0 HB3 LYS A 116 7.083 -1.837 -9.944 1.00 0.39 H new ATOM 0 HG2 LYS A 116 8.024 0.457 -10.392 1.00 0.88 H new ATOM 0 HG3 LYS A 116 8.660 -0.814 -11.416 1.00 0.88 H new ATOM 0 HD2 LYS A 116 7.085 -0.190 -13.213 1.00 0.77 H new ATOM 0 HD3 LYS A 116 6.376 1.041 -12.187 1.00 0.77 H new ATOM 0 HE2 LYS A 116 8.458 2.279 -12.117 1.00 0.85 H new ATOM 0 HE3 LYS A 116 9.309 0.990 -12.946 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 8.840 2.181 -14.760 1.00 1.06 H new ATOM 0 HZ2 LYS A 116 7.292 1.493 -14.654 1.00 1.06 H new ATOM 0 HZ3 LYS A 116 7.578 3.041 -14.017 1.00 1.06 H new ATOM 1290 N LEU A 117 7.335 -4.056 -11.522 1.00 0.47 N ATOM 1291 CA LEU A 117 8.346 -5.071 -11.821 1.00 0.57 C ATOM 1292 C LEU A 117 8.076 -5.775 -13.151 1.00 0.64 C ATOM 1293 O LEU A 117 9.003 -6.029 -13.924 1.00 0.75 O ATOM 1294 CB LEU A 117 8.401 -6.100 -10.691 1.00 0.59 C ATOM 1295 CG LEU A 117 9.472 -7.180 -10.835 1.00 0.86 C ATOM 1296 CD1 LEU A 117 10.858 -6.555 -10.867 1.00 1.48 C ATOM 1297 CD2 LEU A 117 9.359 -8.189 -9.703 1.00 1.59 C ATOM 0 H LEU A 117 6.841 -4.209 -10.643 1.00 0.47 H new ATOM 0 HA LEU A 117 9.307 -4.563 -11.906 1.00 0.57 H new ATOM 0 HB2 LEU A 117 8.566 -5.573 -9.751 1.00 0.59 H new ATOM 0 HB3 LEU A 117 7.428 -6.586 -10.618 1.00 0.59 H new ATOM 0 HG LEU A 117 9.315 -7.704 -11.778 1.00 0.86 H new ATOM 0 HD11 LEU A 117 11.608 -7.339 -10.970 1.00 1.48 H new ATOM 0 HD12 LEU A 117 10.929 -5.871 -11.713 1.00 1.48 H new ATOM 0 HD13 LEU A 117 11.031 -6.006 -9.941 1.00 1.48 H new ATOM 0 HD21 LEU A 117 10.128 -8.953 -9.818 1.00 1.59 H new ATOM 0 HD22 LEU A 117 9.492 -7.681 -8.748 1.00 1.59 H new ATOM 0 HD23 LEU A 117 8.375 -8.658 -9.730 1.00 1.59 H new ATOM 1309 N GLU A 118 6.807 -6.061 -13.420 1.00 0.61 N ATOM 1310 CA GLU A 118 6.414 -6.778 -14.633 1.00 0.69 C ATOM 1311 C GLU A 118 6.508 -5.892 -15.881 1.00 0.70 C ATOM 1312 O GLU A 118 6.071 -6.290 -16.963 1.00 0.85 O ATOM 1313 CB GLU A 118 4.989 -7.322 -14.488 1.00 0.70 C ATOM 1314 CG GLU A 118 4.854 -8.458 -13.484 1.00 0.80 C ATOM 1315 CD GLU A 118 5.594 -9.709 -13.912 1.00 1.36 C ATOM 1316 OE1 GLU A 118 5.230 -10.290 -14.958 1.00 1.71 O ATOM 1317 OE2 GLU A 118 6.523 -10.128 -13.194 1.00 2.05 O ATOM 0 H GLU A 118 6.028 -5.807 -12.813 1.00 0.61 H new ATOM 0 HA GLU A 118 7.111 -7.606 -14.761 1.00 0.69 H new ATOM 0 HB2 GLU A 118 4.330 -6.507 -14.189 1.00 0.70 H new ATOM 0 HB3 GLU A 118 4.644 -7.670 -15.462 1.00 0.70 H new ATOM 0 HG2 GLU A 118 5.234 -8.129 -12.517 1.00 0.80 H new ATOM 0 HG3 GLU A 118 3.798 -8.694 -13.348 1.00 0.80 H new ATOM 1324 N GLY A 119 7.066 -4.694 -15.733 1.00 0.60 N ATOM 1325 CA GLY A 119 7.266 -3.826 -16.880 1.00 0.62 C ATOM 1326 C GLY A 119 6.104 -2.888 -17.120 1.00 0.65 C ATOM 1327 O GLY A 119 5.753 -2.600 -18.262 1.00 0.68 O ATOM 0 H GLY A 119 7.382 -4.310 -14.843 1.00 0.60 H new ATOM 0 HA2 GLY A 119 8.174 -3.241 -16.732 1.00 0.62 H new ATOM 0 HA3 GLY A 119 7.422 -4.437 -17.769 1.00 0.62 H new ATOM 1331 N HIS A 120 5.484 -2.421 -16.047 1.00 0.70 N ATOM 1332 CA HIS A 120 4.383 -1.472 -16.164 1.00 0.78 C ATOM 1333 C HIS A 120 4.709 -0.199 -15.402 1.00 0.75 C ATOM 1334 O HIS A 120 5.847 0.009 -14.987 1.00 0.92 O ATOM 1335 CB HIS A 120 3.075 -2.070 -15.632 1.00 0.80 C ATOM 1336 CG HIS A 120 2.650 -3.323 -16.325 1.00 0.90 C ATOM 1337 ND1 HIS A 120 1.792 -3.338 -17.395 1.00 1.08 N ATOM 1338 CD2 HIS A 120 2.990 -4.610 -16.097 1.00 0.97 C ATOM 1339 CE1 HIS A 120 1.619 -4.582 -17.799 1.00 1.16 C ATOM 1340 NE2 HIS A 120 2.339 -5.377 -17.029 1.00 1.10 N ATOM 0 H HIS A 120 5.721 -2.681 -15.090 1.00 0.70 H new ATOM 0 HA HIS A 120 4.250 -1.241 -17.221 1.00 0.78 H new ATOM 0 HB2 HIS A 120 3.189 -2.277 -14.568 1.00 0.80 H new ATOM 0 HB3 HIS A 120 2.283 -1.328 -15.729 1.00 0.80 H new ATOM 0 HD2 HIS A 120 3.652 -4.969 -15.323 1.00 0.97 H new ATOM 0 HE1 HIS A 120 0.994 -4.897 -18.621 1.00 1.16 H new ATOM 0 HE2 HIS A 120 2.401 -6.392 -17.113 1.00 1.10 H new ATOM 1349 N GLU A 121 3.713 0.654 -15.235 1.00 0.78 N ATOM 1350 CA GLU A 121 3.861 1.866 -14.445 1.00 0.84 C ATOM 1351 C GLU A 121 2.602 2.082 -13.619 1.00 0.84 C ATOM 1352 O GLU A 121 1.513 1.669 -14.017 1.00 0.98 O ATOM 1353 CB GLU A 121 4.138 3.080 -15.349 1.00 1.05 C ATOM 1354 CG GLU A 121 4.331 4.390 -14.590 1.00 1.71 C ATOM 1355 CD GLU A 121 5.441 4.314 -13.559 1.00 2.10 C ATOM 1356 OE1 GLU A 121 6.623 4.291 -13.955 1.00 2.11 O ATOM 1357 OE2 GLU A 121 5.138 4.279 -12.347 1.00 2.69 O ATOM 0 H GLU A 121 2.785 0.528 -15.640 1.00 0.78 H new ATOM 0 HA GLU A 121 4.714 1.755 -13.776 1.00 0.84 H new ATOM 0 HB2 GLU A 121 5.030 2.881 -15.943 1.00 1.05 H new ATOM 0 HB3 GLU A 121 3.310 3.196 -16.048 1.00 1.05 H new ATOM 0 HG2 GLU A 121 4.555 5.186 -15.300 1.00 1.71 H new ATOM 0 HG3 GLU A 121 3.398 4.658 -14.094 1.00 1.71 H new ATOM 1364 N LEU A 122 2.756 2.710 -12.469 1.00 0.88 N ATOM 1365 CA LEU A 122 1.628 3.006 -11.611 1.00 0.89 C ATOM 1366 C LEU A 122 1.272 4.485 -11.723 1.00 0.96 C ATOM 1367 O LEU A 122 2.138 5.355 -11.598 1.00 1.08 O ATOM 1368 CB LEU A 122 1.932 2.585 -10.167 1.00 0.90 C ATOM 1369 CG LEU A 122 3.356 2.860 -9.675 1.00 0.58 C ATOM 1370 CD1 LEU A 122 3.460 4.236 -9.042 1.00 1.21 C ATOM 1371 CD2 LEU A 122 3.791 1.784 -8.696 1.00 0.74 C ATOM 0 H LEU A 122 3.656 3.026 -12.107 1.00 0.88 H new ATOM 0 HA LEU A 122 0.759 2.432 -11.932 1.00 0.89 H new ATOM 0 HB2 LEU A 122 1.234 3.098 -9.505 1.00 0.90 H new ATOM 0 HB3 LEU A 122 1.735 1.517 -10.071 1.00 0.90 H new ATOM 0 HG LEU A 122 4.024 2.839 -10.536 1.00 0.58 H new ATOM 0 HD11 LEU A 122 4.482 4.404 -8.702 1.00 1.21 H new ATOM 0 HD12 LEU A 122 3.193 4.996 -9.777 1.00 1.21 H new ATOM 0 HD13 LEU A 122 2.780 4.298 -8.192 1.00 1.21 H new ATOM 0 HD21 LEU A 122 4.805 1.992 -8.354 1.00 0.74 H new ATOM 0 HD22 LEU A 122 3.115 1.775 -7.841 1.00 0.74 H new ATOM 0 HD23 LEU A 122 3.766 0.812 -9.189 1.00 0.74 H new ATOM 1383 N PRO A 123 -0.016 4.778 -11.965 1.00 1.00 N ATOM 1384 CA PRO A 123 -0.483 6.126 -12.331 1.00 1.15 C ATOM 1385 C PRO A 123 -0.459 7.121 -11.176 1.00 1.04 C ATOM 1386 O PRO A 123 -0.942 8.245 -11.313 1.00 1.16 O ATOM 1387 CB PRO A 123 -1.922 5.876 -12.786 1.00 1.28 C ATOM 1388 CG PRO A 123 -2.351 4.680 -12.010 1.00 1.19 C ATOM 1389 CD PRO A 123 -1.131 3.810 -11.900 1.00 1.01 C ATOM 0 HA PRO A 123 0.163 6.579 -13.084 1.00 1.15 H new ATOM 0 HB2 PRO A 123 -2.560 6.735 -12.578 1.00 1.28 H new ATOM 0 HB3 PRO A 123 -1.974 5.693 -13.859 1.00 1.28 H new ATOM 0 HG2 PRO A 123 -2.720 4.964 -11.024 1.00 1.19 H new ATOM 0 HG3 PRO A 123 -3.162 4.155 -12.515 1.00 1.19 H new ATOM 0 HD2 PRO A 123 -1.121 3.247 -10.967 1.00 1.01 H new ATOM 0 HD3 PRO A 123 -1.081 3.083 -12.711 1.00 1.01 H new ATOM 1397 N ALA A 124 0.098 6.699 -10.043 1.00 0.88 N ATOM 1398 CA ALA A 124 0.212 7.550 -8.861 1.00 0.86 C ATOM 1399 C ALA A 124 -1.158 8.033 -8.387 1.00 0.82 C ATOM 1400 O ALA A 124 -1.277 9.098 -7.781 1.00 0.88 O ATOM 1401 CB ALA A 124 1.132 8.730 -9.145 1.00 1.06 C ATOM 0 H ALA A 124 0.481 5.762 -9.919 1.00 0.88 H new ATOM 0 HA ALA A 124 0.646 6.954 -8.058 1.00 0.86 H new ATOM 0 HB1 ALA A 124 1.207 9.355 -8.255 1.00 1.06 H new ATOM 0 HB2 ALA A 124 2.122 8.363 -9.415 1.00 1.06 H new ATOM 0 HB3 ALA A 124 0.726 9.318 -9.968 1.00 1.06 H new ATOM 1407 N ASP A 125 -2.181 7.238 -8.649 1.00 0.82 N ATOM 1408 CA ASP A 125 -3.531 7.571 -8.220 1.00 0.84 C ATOM 1409 C ASP A 125 -3.991 6.603 -7.162 1.00 0.83 C ATOM 1410 O ASP A 125 -3.338 5.594 -6.898 1.00 0.85 O ATOM 1411 CB ASP A 125 -4.522 7.505 -9.383 1.00 0.90 C ATOM 1412 CG ASP A 125 -5.838 8.196 -9.072 1.00 1.36 C ATOM 1413 OD1 ASP A 125 -5.821 9.289 -8.472 1.00 1.76 O ATOM 1414 OD2 ASP A 125 -6.901 7.644 -9.440 1.00 1.93 O ATOM 0 H ASP A 125 -2.104 6.357 -9.157 1.00 0.82 H new ATOM 0 HA ASP A 125 -3.502 8.588 -7.828 1.00 0.84 H new ATOM 0 HB2 ASP A 125 -4.074 7.966 -10.263 1.00 0.90 H new ATOM 0 HB3 ASP A 125 -4.714 6.461 -9.632 1.00 0.90 H new ATOM 1419 N LEU A 126 -5.121 6.913 -6.575 1.00 0.84 N ATOM 1420 CA LEU A 126 -5.807 5.971 -5.726 1.00 0.85 C ATOM 1421 C LEU A 126 -7.231 5.801 -6.248 1.00 0.82 C ATOM 1422 O LEU A 126 -8.141 6.530 -5.846 1.00 0.86 O ATOM 1423 CB LEU A 126 -5.814 6.451 -4.271 1.00 0.92 C ATOM 1424 CG LEU A 126 -5.517 5.376 -3.222 1.00 0.94 C ATOM 1425 CD1 LEU A 126 -5.525 5.981 -1.831 1.00 1.85 C ATOM 1426 CD2 LEU A 126 -6.514 4.231 -3.318 1.00 1.62 C ATOM 0 H LEU A 126 -5.587 7.815 -6.671 1.00 0.84 H new ATOM 0 HA LEU A 126 -5.289 5.012 -5.747 1.00 0.85 H new ATOM 0 HB2 LEU A 126 -5.079 7.249 -4.166 1.00 0.92 H new ATOM 0 HB3 LEU A 126 -6.790 6.886 -4.055 1.00 0.92 H new ATOM 0 HG LEU A 126 -4.524 4.971 -3.418 1.00 0.94 H new ATOM 0 HD11 LEU A 126 -5.312 5.205 -1.096 1.00 1.85 H new ATOM 0 HD12 LEU A 126 -4.764 6.759 -1.768 1.00 1.85 H new ATOM 0 HD13 LEU A 126 -6.504 6.414 -1.628 1.00 1.85 H new ATOM 0 HD21 LEU A 126 -6.281 3.481 -2.562 1.00 1.62 H new ATOM 0 HD22 LEU A 126 -7.522 4.611 -3.153 1.00 1.62 H new ATOM 0 HD23 LEU A 126 -6.455 3.779 -4.308 1.00 1.62 H new ATOM 1438 N PRO A 127 -7.414 4.878 -7.210 1.00 0.79 N ATOM 1439 CA PRO A 127 -8.735 4.501 -7.711 1.00 0.78 C ATOM 1440 C PRO A 127 -9.712 4.202 -6.583 1.00 0.79 C ATOM 1441 O PRO A 127 -9.343 3.585 -5.584 1.00 0.81 O ATOM 1442 CB PRO A 127 -8.450 3.232 -8.511 1.00 0.90 C ATOM 1443 CG PRO A 127 -7.055 3.405 -9.000 1.00 0.76 C ATOM 1444 CD PRO A 127 -6.331 4.197 -7.944 1.00 0.81 C ATOM 0 HA PRO A 127 -9.199 5.299 -8.291 1.00 0.78 H new ATOM 0 HB2 PRO A 127 -8.545 2.341 -7.890 1.00 0.90 H new ATOM 0 HB3 PRO A 127 -9.150 3.119 -9.339 1.00 0.90 H new ATOM 0 HG2 PRO A 127 -6.576 2.439 -9.158 1.00 0.76 H new ATOM 0 HG3 PRO A 127 -7.040 3.928 -9.956 1.00 0.76 H new ATOM 0 HD2 PRO A 127 -5.748 3.550 -7.288 1.00 0.81 H new ATOM 0 HD3 PRO A 127 -5.636 4.911 -8.386 1.00 0.81 H new ATOM 1452 N PRO A 128 -10.977 4.615 -6.738 1.00 0.82 N ATOM 1453 CA PRO A 128 -12.006 4.433 -5.711 1.00 0.89 C ATOM 1454 C PRO A 128 -12.159 2.977 -5.284 1.00 0.92 C ATOM 1455 O PRO A 128 -12.476 2.690 -4.133 1.00 1.00 O ATOM 1456 CB PRO A 128 -13.287 4.919 -6.391 1.00 0.98 C ATOM 1457 CG PRO A 128 -12.820 5.848 -7.456 1.00 1.02 C ATOM 1458 CD PRO A 128 -11.502 5.303 -7.928 1.00 0.86 C ATOM 0 HA PRO A 128 -11.758 4.974 -4.798 1.00 0.89 H new ATOM 0 HB2 PRO A 128 -13.852 4.087 -6.811 1.00 0.98 H new ATOM 0 HB3 PRO A 128 -13.943 5.426 -5.683 1.00 0.98 H new ATOM 0 HG2 PRO A 128 -13.538 5.897 -8.274 1.00 1.02 H new ATOM 0 HG3 PRO A 128 -12.708 6.861 -7.069 1.00 1.02 H new ATOM 0 HD2 PRO A 128 -11.627 4.618 -8.767 1.00 0.86 H new ATOM 0 HD3 PRO A 128 -10.834 6.097 -8.261 1.00 0.86 H new ATOM 1466 N HIS A 129 -11.912 2.057 -6.211 1.00 0.90 N ATOM 1467 CA HIS A 129 -12.058 0.640 -5.911 1.00 0.96 C ATOM 1468 C HIS A 129 -10.745 0.036 -5.417 1.00 0.95 C ATOM 1469 O HIS A 129 -10.606 -1.184 -5.349 1.00 1.02 O ATOM 1470 CB HIS A 129 -12.593 -0.142 -7.121 1.00 1.02 C ATOM 1471 CG HIS A 129 -11.738 -0.090 -8.355 1.00 1.03 C ATOM 1472 ND1 HIS A 129 -11.893 0.857 -9.342 1.00 1.10 N ATOM 1473 CD2 HIS A 129 -10.743 -0.903 -8.775 1.00 1.08 C ATOM 1474 CE1 HIS A 129 -11.038 0.620 -10.317 1.00 1.14 C ATOM 1475 NE2 HIS A 129 -10.324 -0.448 -10.003 1.00 1.14 N ATOM 0 H HIS A 129 -11.614 2.265 -7.164 1.00 0.90 H new ATOM 0 HA HIS A 129 -12.791 0.557 -5.108 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -12.718 -1.185 -6.831 1.00 1.02 H new ATOM 0 HB3 HIS A 129 -13.583 0.241 -7.370 1.00 1.02 H new ATOM 0 HD2 HIS A 129 -10.349 -1.756 -8.242 1.00 1.08 H new ATOM 0 HE1 HIS A 129 -10.937 1.201 -11.222 1.00 1.14 H new ATOM 0 HE2 HIS A 129 -9.588 -0.863 -10.574 1.00 1.14 H new ATOM 1484 N LEU A 130 -9.781 0.888 -5.082 1.00 0.89 N ATOM 1485 CA LEU A 130 -8.544 0.428 -4.460 1.00 0.92 C ATOM 1486 C LEU A 130 -8.399 0.999 -3.052 1.00 0.93 C ATOM 1487 O LEU A 130 -7.380 0.796 -2.392 1.00 1.06 O ATOM 1488 CB LEU A 130 -7.326 0.802 -5.311 1.00 0.89 C ATOM 1489 CG LEU A 130 -7.212 0.054 -6.642 1.00 0.94 C ATOM 1490 CD1 LEU A 130 -5.944 0.448 -7.376 1.00 1.32 C ATOM 1491 CD2 LEU A 130 -7.242 -1.449 -6.417 1.00 1.34 C ATOM 0 H LEU A 130 -9.832 1.896 -5.230 1.00 0.89 H new ATOM 0 HA LEU A 130 -8.593 -0.659 -4.391 1.00 0.92 H new ATOM 0 HB2 LEU A 130 -7.359 1.872 -5.515 1.00 0.89 H new ATOM 0 HB3 LEU A 130 -6.424 0.616 -4.728 1.00 0.89 H new ATOM 0 HG LEU A 130 -8.068 0.332 -7.258 1.00 0.94 H new ATOM 0 HD11 LEU A 130 -5.885 -0.096 -8.319 1.00 1.32 H new ATOM 0 HD12 LEU A 130 -5.957 1.519 -7.576 1.00 1.32 H new ATOM 0 HD13 LEU A 130 -5.077 0.204 -6.762 1.00 1.32 H new ATOM 0 HD21 LEU A 130 -7.160 -1.962 -7.375 1.00 1.34 H new ATOM 0 HD22 LEU A 130 -6.408 -1.738 -5.778 1.00 1.34 H new ATOM 0 HD23 LEU A 130 -8.180 -1.726 -5.936 1.00 1.34 H new ATOM 1760 N ASP B 149 7.871 8.956 5.217 1.00 0.45 N ATOM 1761 CA ASP B 149 8.324 8.271 4.020 1.00 0.42 C ATOM 1762 C ASP B 149 9.814 7.953 4.130 1.00 0.31 C ATOM 1763 O ASP B 149 10.646 8.855 4.215 1.00 0.30 O ATOM 1764 CB ASP B 149 8.053 9.150 2.797 1.00 0.70 C ATOM 1765 CG ASP B 149 8.479 8.508 1.501 1.00 0.53 C ATOM 1766 OD1 ASP B 149 9.695 8.465 1.232 1.00 0.42 O ATOM 1767 OD2 ASP B 149 7.598 8.074 0.736 1.00 1.25 O ATOM 0 HA ASP B 149 7.780 7.333 3.911 1.00 0.42 H new ATOM 0 HB2 ASP B 149 6.988 9.378 2.750 1.00 0.70 H new ATOM 0 HB3 ASP B 149 8.577 10.098 2.915 1.00 0.70 H new ATOM 1772 N PRO B 150 10.165 6.661 4.140 1.00 0.31 N ATOM 1773 CA PRO B 150 11.549 6.199 4.306 1.00 0.29 C ATOM 1774 C PRO B 150 12.416 6.391 3.054 1.00 0.29 C ATOM 1775 O PRO B 150 13.606 6.070 3.063 1.00 0.34 O ATOM 1776 CB PRO B 150 11.397 4.697 4.613 1.00 0.34 C ATOM 1777 CG PRO B 150 9.934 4.462 4.798 1.00 0.49 C ATOM 1778 CD PRO B 150 9.240 5.535 4.015 1.00 0.43 C ATOM 0 HA PRO B 150 12.057 6.770 5.084 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.790 4.090 3.797 1.00 0.34 H new ATOM 0 HB3 PRO B 150 11.953 4.424 5.510 1.00 0.34 H new ATOM 0 HG2 PRO B 150 9.650 3.472 4.440 1.00 0.49 H new ATOM 0 HG3 PRO B 150 9.661 4.510 5.852 1.00 0.49 H new ATOM 0 HD2 PRO B 150 9.089 5.246 2.975 1.00 0.43 H new ATOM 0 HD3 PRO B 150 8.258 5.768 4.427 1.00 0.43 H new ATOM 1786 N PHE B 151 11.826 6.898 1.982 1.00 0.31 N ATOM 1787 CA PHE B 151 12.541 7.052 0.720 1.00 0.39 C ATOM 1788 C PHE B 151 13.020 8.489 0.554 1.00 0.46 C ATOM 1789 O PHE B 151 13.845 8.789 -0.316 1.00 0.56 O ATOM 1790 CB PHE B 151 11.632 6.647 -0.447 1.00 0.44 C ATOM 1791 CG PHE B 151 10.912 5.355 -0.182 1.00 0.36 C ATOM 1792 CD1 PHE B 151 11.512 4.144 -0.491 1.00 0.42 C ATOM 1793 CD2 PHE B 151 9.629 5.350 0.333 1.00 0.30 C ATOM 1794 CE1 PHE B 151 10.849 2.957 -0.289 1.00 0.42 C ATOM 1795 CE2 PHE B 151 8.959 4.162 0.533 1.00 0.27 C ATOM 1796 CZ PHE B 151 9.599 2.983 0.394 1.00 0.32 C ATOM 0 H PHE B 151 10.855 7.210 1.959 1.00 0.31 H new ATOM 0 HA PHE B 151 13.415 6.400 0.725 1.00 0.39 H new ATOM 0 HB2 PHE B 151 10.903 7.437 -0.629 1.00 0.44 H new ATOM 0 HB3 PHE B 151 12.229 6.549 -1.354 1.00 0.44 H new ATOM 0 HD1 PHE B 151 12.513 4.133 -0.896 1.00 0.42 H new ATOM 0 HD2 PHE B 151 9.148 6.285 0.581 1.00 0.30 H new ATOM 0 HE1 PHE B 151 11.267 2.025 -0.640 1.00 0.42 H new ATOM 0 HE2 PHE B 151 7.913 4.175 0.803 1.00 0.27 H new ATOM 0 HZ PHE B 151 9.172 2.075 0.793 1.00 0.32 H new ATOM 1806 N THR B 152 12.502 9.371 1.395 1.00 0.53 N ATOM 1807 CA THR B 152 12.912 10.768 1.390 1.00 0.65 C ATOM 1808 C THR B 152 14.151 10.969 2.269 1.00 1.20 C ATOM 1809 O THR B 152 14.788 10.000 2.690 1.00 1.89 O ATOM 1810 CB THR B 152 11.774 11.690 1.877 1.00 0.95 C ATOM 1811 OG1 THR B 152 11.366 11.323 3.203 1.00 1.59 O ATOM 1812 CG2 THR B 152 10.579 11.621 0.937 1.00 0.98 C ATOM 0 H THR B 152 11.794 9.143 2.093 1.00 0.53 H new ATOM 0 HA THR B 152 13.154 11.034 0.361 1.00 0.65 H new ATOM 0 HB THR B 152 12.152 12.712 1.887 1.00 0.95 H new ATOM 0 HG1 THR B 152 11.041 10.399 3.201 1.00 1.59 H new ATOM 0 HG21 THR B 152 9.791 12.279 1.302 1.00 0.98 H new ATOM 0 HG22 THR B 152 10.883 11.937 -0.061 1.00 0.98 H new ATOM 0 HG23 THR B 152 10.207 10.597 0.896 1.00 0.98 H new