USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 770 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 83 ASN : amide:sc= -0.487 K(o=-0.49,f=-8.5!) USER MOD Set 1.2: A 84 THR OG1 : rot 33:sc= 0.00115 USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= 0.00297 USER MOD Set 2.2: A 71 ASN : amide:sc= -0.0454 X(o=-0.042,f=0.003) USER MOD Single : A 48 LYS NZ :NH3+ 134:sc= 1.02 (180deg=-0.684!) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 2.08 (180deg=2.02) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 165:sc= 0 USER MOD Single : A 58 TYR OH : rot 88:sc= 1.29 USER MOD Single : A 59 THR OG1 : rot -59:sc= 1.17 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc=-0.00293 F(o=-1.1,f=-0.0029) USER MOD Single : A 66 LYS NZ :NH3+ -123:sc= 1.33 (180deg=-0.75) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0.93 (180deg=0.929) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -125:sc= -0.187 (180deg=-3.56!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 37:sc= 0.652 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 : amide:sc= 0.613 K(o=0.61,f=-0.26) USER MOD Single : A 111 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.021) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 145:sc= 1.07 (180deg=-0.184!) USER MOD Single : A 120 HIS :FLIP no HD1:sc= -0.309 F(o=-1.3,f=-0.31) USER MOD Single : A 129 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=-0.03) USER MOD Single : A 134 SER OG : rot 116:sc= 1.29 USER MOD Single : A 135 LYS NZ :NH3+ 172:sc= 1.84 (180deg=1.76) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 43 -15.973 -5.872 -0.799 1.00 1.02 N ATOM 102 CA GLU A 43 -14.853 -6.463 -0.092 1.00 0.97 C ATOM 103 C GLU A 43 -13.533 -5.973 -0.676 1.00 0.80 C ATOM 104 O GLU A 43 -13.369 -5.884 -1.892 1.00 0.79 O ATOM 105 CB GLU A 43 -14.924 -7.994 -0.129 1.00 1.17 C ATOM 106 CG GLU A 43 -15.008 -8.582 -1.528 1.00 1.78 C ATOM 107 CD GLU A 43 -15.065 -10.093 -1.515 1.00 2.27 C ATOM 108 OE1 GLU A 43 -16.159 -10.650 -1.276 1.00 2.15 O ATOM 109 OE2 GLU A 43 -14.022 -10.733 -1.743 1.00 3.10 O ATOM 0 HA GLU A 43 -14.908 -6.149 0.950 1.00 0.97 H new ATOM 0 HB2 GLU A 43 -14.044 -8.399 0.371 1.00 1.17 H new ATOM 0 HB3 GLU A 43 -15.793 -8.320 0.442 1.00 1.17 H new ATOM 0 HG2 GLU A 43 -15.893 -8.192 -2.031 1.00 1.78 H new ATOM 0 HG3 GLU A 43 -14.144 -8.259 -2.108 1.00 1.78 H new ATOM 116 N TRP A 44 -12.611 -5.634 0.202 1.00 0.71 N ATOM 117 CA TRP A 44 -11.312 -5.156 -0.211 1.00 0.60 C ATOM 118 C TRP A 44 -10.416 -6.360 -0.511 1.00 0.60 C ATOM 119 O TRP A 44 -10.196 -7.207 0.353 1.00 0.64 O ATOM 120 CB TRP A 44 -10.730 -4.256 0.882 1.00 0.57 C ATOM 121 CG TRP A 44 -9.563 -3.433 0.431 1.00 0.48 C ATOM 122 CD1 TRP A 44 -9.385 -2.861 -0.792 1.00 0.50 C ATOM 123 CD2 TRP A 44 -8.428 -3.075 1.213 1.00 0.44 C ATOM 124 NE1 TRP A 44 -8.191 -2.186 -0.822 1.00 0.46 N ATOM 125 CE2 TRP A 44 -7.586 -2.300 0.396 1.00 0.41 C ATOM 126 CE3 TRP A 44 -8.039 -3.339 2.529 1.00 0.48 C ATOM 127 CZ2 TRP A 44 -6.378 -1.794 0.847 1.00 0.41 C ATOM 128 CZ3 TRP A 44 -6.836 -2.836 2.977 1.00 0.49 C ATOM 129 CH2 TRP A 44 -6.017 -2.069 2.135 1.00 0.44 C ATOM 0 H TRP A 44 -12.741 -5.682 1.213 1.00 0.71 H new ATOM 0 HA TRP A 44 -11.387 -4.558 -1.119 1.00 0.60 H new ATOM 0 HB2 TRP A 44 -11.513 -3.590 1.246 1.00 0.57 H new ATOM 0 HB3 TRP A 44 -10.422 -4.876 1.724 1.00 0.57 H new ATOM 0 HD1 TRP A 44 -10.080 -2.929 -1.616 1.00 0.50 H new ATOM 0 HE1 TRP A 44 -7.816 -1.681 -1.625 1.00 0.46 H new ATOM 0 HE3 TRP A 44 -8.668 -3.925 3.182 1.00 0.48 H new ATOM 0 HZ2 TRP A 44 -5.744 -1.203 0.203 1.00 0.41 H new ATOM 0 HZ3 TRP A 44 -6.520 -3.035 3.990 1.00 0.49 H new ATOM 0 HH2 TRP A 44 -5.080 -1.688 2.514 1.00 0.44 H new ATOM 140 N VAL A 45 -9.906 -6.423 -1.739 1.00 0.61 N ATOM 141 CA VAL A 45 -9.270 -7.637 -2.269 1.00 0.64 C ATOM 142 C VAL A 45 -8.032 -8.092 -1.490 1.00 0.57 C ATOM 143 O VAL A 45 -7.584 -9.223 -1.659 1.00 0.69 O ATOM 144 CB VAL A 45 -8.883 -7.469 -3.753 1.00 0.72 C ATOM 145 CG1 VAL A 45 -10.113 -7.190 -4.603 1.00 1.45 C ATOM 146 CG2 VAL A 45 -7.846 -6.366 -3.914 1.00 1.28 C ATOM 0 H VAL A 45 -9.919 -5.642 -2.395 1.00 0.61 H new ATOM 0 HA VAL A 45 -10.029 -8.411 -2.157 1.00 0.64 H new ATOM 0 HB VAL A 45 -8.441 -8.403 -4.100 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -9.816 -7.075 -5.646 1.00 1.45 H new ATOM 0 HG12 VAL A 45 -10.813 -8.021 -4.514 1.00 1.45 H new ATOM 0 HG13 VAL A 45 -10.593 -6.274 -4.259 1.00 1.45 H new ATOM 0 HG21 VAL A 45 -7.586 -6.262 -4.967 1.00 1.28 H new ATOM 0 HG22 VAL A 45 -8.256 -5.425 -3.547 1.00 1.28 H new ATOM 0 HG23 VAL A 45 -6.953 -6.620 -3.343 1.00 1.28 H new ATOM 156 N VAL A 46 -7.462 -7.232 -0.657 1.00 0.46 N ATOM 157 CA VAL A 46 -6.304 -7.637 0.130 1.00 0.42 C ATOM 158 C VAL A 46 -6.742 -8.171 1.492 1.00 0.38 C ATOM 159 O VAL A 46 -5.974 -8.831 2.185 1.00 0.41 O ATOM 160 CB VAL A 46 -5.284 -6.490 0.320 1.00 0.46 C ATOM 161 CG1 VAL A 46 -5.856 -5.383 1.167 1.00 0.54 C ATOM 162 CG2 VAL A 46 -3.995 -7.018 0.926 1.00 1.10 C ATOM 0 H VAL A 46 -7.772 -6.272 -0.510 1.00 0.46 H new ATOM 0 HA VAL A 46 -5.806 -8.428 -0.431 1.00 0.42 H new ATOM 0 HB VAL A 46 -5.061 -6.074 -0.663 1.00 0.46 H new ATOM 0 HG11 VAL A 46 -5.114 -4.592 1.282 1.00 0.54 H new ATOM 0 HG12 VAL A 46 -6.746 -4.979 0.685 1.00 0.54 H new ATOM 0 HG13 VAL A 46 -6.122 -5.776 2.148 1.00 0.54 H new ATOM 0 HG21 VAL A 46 -3.289 -6.197 1.052 1.00 1.10 H new ATOM 0 HG22 VAL A 46 -4.206 -7.467 1.896 1.00 1.10 H new ATOM 0 HG23 VAL A 46 -3.563 -7.769 0.265 1.00 1.10 H new ATOM 172 N GLY A 47 -7.994 -7.919 1.846 1.00 0.40 N ATOM 173 CA GLY A 47 -8.499 -8.325 3.145 1.00 0.47 C ATOM 174 C GLY A 47 -8.529 -9.833 3.324 1.00 0.49 C ATOM 175 O GLY A 47 -8.453 -10.333 4.447 1.00 0.59 O ATOM 0 H GLY A 47 -8.673 -7.439 1.255 1.00 0.40 H new ATOM 0 HA2 GLY A 47 -7.878 -7.884 3.924 1.00 0.47 H new ATOM 0 HA3 GLY A 47 -9.506 -7.929 3.278 1.00 0.47 H new ATOM 179 N LYS A 48 -8.618 -10.557 2.214 1.00 0.49 N ATOM 180 CA LYS A 48 -8.672 -12.013 2.255 1.00 0.61 C ATOM 181 C LYS A 48 -7.292 -12.608 2.523 1.00 0.60 C ATOM 182 O LYS A 48 -7.177 -13.758 2.948 1.00 0.73 O ATOM 183 CB LYS A 48 -9.246 -12.574 0.947 1.00 0.72 C ATOM 184 CG LYS A 48 -8.541 -12.071 -0.306 1.00 0.74 C ATOM 185 CD LYS A 48 -9.036 -12.789 -1.555 1.00 0.96 C ATOM 186 CE LYS A 48 -8.567 -14.235 -1.595 1.00 1.82 C ATOM 187 NZ LYS A 48 -7.103 -14.341 -1.837 1.00 2.46 N ATOM 0 H LYS A 48 -8.654 -10.160 1.275 1.00 0.49 H new ATOM 0 HA LYS A 48 -9.332 -12.296 3.075 1.00 0.61 H new ATOM 0 HB2 LYS A 48 -9.186 -13.662 0.973 1.00 0.72 H new ATOM 0 HB3 LYS A 48 -10.303 -12.315 0.885 1.00 0.72 H new ATOM 0 HG2 LYS A 48 -8.707 -10.999 -0.412 1.00 0.74 H new ATOM 0 HG3 LYS A 48 -7.466 -12.218 -0.203 1.00 0.74 H new ATOM 0 HD2 LYS A 48 -10.125 -12.759 -1.585 1.00 0.96 H new ATOM 0 HD3 LYS A 48 -8.678 -12.266 -2.442 1.00 0.96 H new ATOM 0 HE2 LYS A 48 -8.815 -14.722 -0.652 1.00 1.82 H new ATOM 0 HE3 LYS A 48 -9.103 -14.768 -2.380 1.00 1.82 H new ATOM 0 HZ1 LYS A 48 -6.690 -15.026 -1.173 1.00 2.46 H new ATOM 0 HZ2 LYS A 48 -6.935 -14.660 -2.813 1.00 2.46 H new ATOM 0 HZ3 LYS A 48 -6.659 -13.411 -1.695 1.00 2.46 H new ATOM 201 N ASP A 49 -6.250 -11.823 2.281 1.00 0.48 N ATOM 202 CA ASP A 49 -4.883 -12.278 2.508 1.00 0.50 C ATOM 203 C ASP A 49 -4.158 -11.275 3.391 1.00 0.44 C ATOM 204 O ASP A 49 -2.948 -11.084 3.277 1.00 0.45 O ATOM 205 CB ASP A 49 -4.123 -12.406 1.178 1.00 0.60 C ATOM 206 CG ASP A 49 -4.872 -13.199 0.129 1.00 1.16 C ATOM 207 OD1 ASP A 49 -4.826 -14.446 0.184 1.00 1.52 O ATOM 208 OD2 ASP A 49 -5.508 -12.591 -0.754 1.00 1.66 O ATOM 0 H ASP A 49 -6.324 -10.869 1.928 1.00 0.48 H new ATOM 0 HA ASP A 49 -4.920 -13.254 2.992 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -3.916 -11.409 0.789 1.00 0.60 H new ATOM 0 HB3 ASP A 49 -3.160 -12.882 1.363 1.00 0.60 H new ATOM 213 N LYS A 50 -4.896 -10.679 4.314 1.00 0.43 N ATOM 214 CA LYS A 50 -4.365 -9.590 5.117 1.00 0.49 C ATOM 215 C LYS A 50 -3.626 -10.092 6.362 1.00 0.45 C ATOM 216 O LYS A 50 -2.515 -9.642 6.616 1.00 0.45 O ATOM 217 CB LYS A 50 -5.473 -8.612 5.512 1.00 0.70 C ATOM 218 CG LYS A 50 -4.935 -7.286 6.019 1.00 0.72 C ATOM 219 CD LYS A 50 -6.053 -6.345 6.439 1.00 0.90 C ATOM 220 CE LYS A 50 -5.499 -5.018 6.935 1.00 1.01 C ATOM 221 NZ LYS A 50 -4.630 -5.188 8.127 1.00 1.15 N ATOM 0 H LYS A 50 -5.862 -10.930 4.525 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.638 -9.066 4.497 1.00 0.49 H new ATOM 0 HB2 LYS A 50 -6.116 -8.432 4.651 1.00 0.70 H new ATOM 0 HB3 LYS A 50 -6.094 -9.066 6.284 1.00 0.70 H new ATOM 0 HG2 LYS A 50 -4.272 -7.463 6.866 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -4.337 -6.814 5.239 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -6.721 -6.171 5.595 1.00 0.90 H new ATOM 0 HD3 LYS A 50 -6.647 -6.810 7.225 1.00 0.90 H new ATOM 0 HE2 LYS A 50 -4.930 -4.542 6.137 1.00 1.01 H new ATOM 0 HE3 LYS A 50 -6.324 -4.350 7.181 1.00 1.01 H new ATOM 0 HZ1 LYS A 50 -4.247 -4.264 8.412 1.00 1.15 H new ATOM 0 HZ2 LYS A 50 -5.187 -5.587 8.909 1.00 1.15 H new ATOM 0 HZ3 LYS A 50 -3.846 -5.832 7.896 1.00 1.15 H new ATOM 235 N PRO A 51 -4.208 -11.029 7.159 1.00 0.49 N ATOM 236 CA PRO A 51 -3.548 -11.548 8.370 1.00 0.58 C ATOM 237 C PRO A 51 -2.107 -11.996 8.120 1.00 0.46 C ATOM 238 O PRO A 51 -1.251 -11.895 9.002 1.00 0.47 O ATOM 239 CB PRO A 51 -4.415 -12.743 8.757 1.00 0.69 C ATOM 240 CG PRO A 51 -5.768 -12.393 8.259 1.00 0.75 C ATOM 241 CD PRO A 51 -5.546 -11.640 6.974 1.00 0.55 C ATOM 0 HA PRO A 51 -3.470 -10.783 9.143 1.00 0.58 H new ATOM 0 HB2 PRO A 51 -4.050 -13.663 8.301 1.00 0.69 H new ATOM 0 HB3 PRO A 51 -4.417 -12.900 9.836 1.00 0.69 H new ATOM 0 HG2 PRO A 51 -6.367 -13.288 8.090 1.00 0.75 H new ATOM 0 HG3 PRO A 51 -6.306 -11.782 8.983 1.00 0.75 H new ATOM 0 HD2 PRO A 51 -5.568 -12.304 6.110 1.00 0.55 H new ATOM 0 HD3 PRO A 51 -6.314 -10.884 6.814 1.00 0.55 H new ATOM 249 N THR A 52 -1.842 -12.473 6.910 1.00 0.38 N ATOM 250 CA THR A 52 -0.503 -12.887 6.530 1.00 0.36 C ATOM 251 C THR A 52 0.416 -11.672 6.398 1.00 0.26 C ATOM 252 O THR A 52 1.532 -11.660 6.928 1.00 0.28 O ATOM 253 CB THR A 52 -0.531 -13.656 5.194 1.00 0.42 C ATOM 254 OG1 THR A 52 -1.575 -14.638 5.225 1.00 0.68 O ATOM 255 CG2 THR A 52 0.799 -14.342 4.930 1.00 0.66 C ATOM 0 H THR A 52 -2.541 -12.582 6.175 1.00 0.38 H new ATOM 0 HA THR A 52 -0.120 -13.543 7.311 1.00 0.36 H new ATOM 0 HB THR A 52 -0.716 -12.941 4.393 1.00 0.42 H new ATOM 0 HG1 THR A 52 -1.592 -15.124 4.374 1.00 0.68 H new ATOM 0 HG21 THR A 52 0.751 -14.877 3.981 1.00 0.66 H new ATOM 0 HG22 THR A 52 1.591 -13.595 4.885 1.00 0.66 H new ATOM 0 HG23 THR A 52 1.010 -15.047 5.734 1.00 0.66 H new ATOM 263 N TYR A 53 -0.074 -10.630 5.735 1.00 0.22 N ATOM 264 CA TYR A 53 0.728 -9.436 5.506 1.00 0.23 C ATOM 265 C TYR A 53 0.868 -8.639 6.795 1.00 0.23 C ATOM 266 O TYR A 53 1.822 -7.886 6.966 1.00 0.24 O ATOM 267 CB TYR A 53 0.096 -8.551 4.431 1.00 0.33 C ATOM 268 CG TYR A 53 -0.061 -9.208 3.077 1.00 0.39 C ATOM 269 CD1 TYR A 53 0.724 -10.298 2.726 1.00 0.41 C ATOM 270 CD2 TYR A 53 -0.992 -8.745 2.154 1.00 0.53 C ATOM 271 CE1 TYR A 53 0.586 -10.908 1.496 1.00 0.49 C ATOM 272 CE2 TYR A 53 -1.133 -9.349 0.923 1.00 0.62 C ATOM 273 CZ TYR A 53 -0.354 -10.399 0.586 1.00 0.57 C ATOM 274 OH TYR A 53 -0.485 -11.037 -0.625 1.00 0.69 O ATOM 0 H TYR A 53 -1.017 -10.589 5.349 1.00 0.22 H new ATOM 0 HA TYR A 53 1.713 -9.755 5.166 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -0.885 -8.228 4.778 1.00 0.33 H new ATOM 0 HB3 TYR A 53 0.705 -7.654 4.315 1.00 0.33 H new ATOM 0 HD1 TYR A 53 1.454 -10.675 3.427 1.00 0.41 H new ATOM 0 HD2 TYR A 53 -1.614 -7.899 2.405 1.00 0.53 H new ATOM 0 HE1 TYR A 53 1.192 -11.764 1.237 1.00 0.49 H new ATOM 0 HE2 TYR A 53 -1.870 -8.981 0.225 1.00 0.62 H new ATOM 0 HH TYR A 53 -1.315 -10.748 -1.059 1.00 0.69 H new ATOM 284 N ASP A 54 -0.071 -8.831 7.717 1.00 0.28 N ATOM 285 CA ASP A 54 0.023 -8.211 9.031 1.00 0.35 C ATOM 286 C ASP A 54 1.104 -8.898 9.844 1.00 0.33 C ATOM 287 O ASP A 54 1.882 -8.244 10.536 1.00 0.35 O ATOM 288 CB ASP A 54 -1.315 -8.269 9.775 1.00 0.51 C ATOM 289 CG ASP A 54 -2.216 -7.083 9.475 1.00 1.35 C ATOM 290 OD1 ASP A 54 -2.866 -7.075 8.409 1.00 2.18 O ATOM 291 OD2 ASP A 54 -2.298 -6.163 10.320 1.00 1.83 O ATOM 0 H ASP A 54 -0.901 -9.408 7.578 1.00 0.28 H new ATOM 0 HA ASP A 54 0.281 -7.161 8.895 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -1.834 -9.189 9.506 1.00 0.51 H new ATOM 0 HB3 ASP A 54 -1.126 -8.312 10.848 1.00 0.51 H new ATOM 296 N GLU A 55 1.163 -10.221 9.736 1.00 0.35 N ATOM 297 CA GLU A 55 2.205 -10.996 10.394 1.00 0.43 C ATOM 298 C GLU A 55 3.582 -10.547 9.926 1.00 0.38 C ATOM 299 O GLU A 55 4.528 -10.499 10.709 1.00 0.46 O ATOM 300 CB GLU A 55 2.021 -12.490 10.130 1.00 0.54 C ATOM 301 CG GLU A 55 1.573 -13.270 11.355 1.00 1.31 C ATOM 302 CD GLU A 55 2.583 -13.207 12.486 1.00 1.54 C ATOM 303 OE1 GLU A 55 3.540 -14.010 12.485 1.00 1.65 O ATOM 304 OE2 GLU A 55 2.427 -12.350 13.381 1.00 2.33 O ATOM 0 H GLU A 55 0.500 -10.778 9.198 1.00 0.35 H new ATOM 0 HA GLU A 55 2.126 -10.823 11.467 1.00 0.43 H new ATOM 0 HB2 GLU A 55 1.287 -12.623 9.335 1.00 0.54 H new ATOM 0 HB3 GLU A 55 2.961 -12.906 9.768 1.00 0.54 H new ATOM 0 HG2 GLU A 55 0.618 -12.877 11.703 1.00 1.31 H new ATOM 0 HG3 GLU A 55 1.407 -14.311 11.078 1.00 1.31 H new ATOM 311 N ILE A 56 3.685 -10.209 8.651 1.00 0.32 N ATOM 312 CA ILE A 56 4.936 -9.705 8.098 1.00 0.35 C ATOM 313 C ILE A 56 5.161 -8.251 8.530 1.00 0.32 C ATOM 314 O ILE A 56 6.274 -7.857 8.887 1.00 0.45 O ATOM 315 CB ILE A 56 4.928 -9.801 6.561 1.00 0.39 C ATOM 316 CG1 ILE A 56 4.595 -11.234 6.137 1.00 0.45 C ATOM 317 CG2 ILE A 56 6.277 -9.377 5.990 1.00 0.45 C ATOM 318 CD1 ILE A 56 4.140 -11.355 4.703 1.00 0.64 C ATOM 0 H ILE A 56 2.920 -10.273 7.979 1.00 0.32 H new ATOM 0 HA ILE A 56 5.751 -10.319 8.481 1.00 0.35 H new ATOM 0 HB ILE A 56 4.167 -9.127 6.168 1.00 0.39 H new ATOM 0 HG12 ILE A 56 5.475 -11.860 6.283 1.00 0.45 H new ATOM 0 HG13 ILE A 56 3.814 -11.624 6.790 1.00 0.45 H new ATOM 0 HG21 ILE A 56 6.252 -9.452 4.903 1.00 0.45 H new ATOM 0 HG22 ILE A 56 6.487 -8.347 6.278 1.00 0.45 H new ATOM 0 HG23 ILE A 56 7.058 -10.029 6.380 1.00 0.45 H new ATOM 0 HD11 ILE A 56 3.923 -12.399 4.477 1.00 0.64 H new ATOM 0 HD12 ILE A 56 3.241 -10.757 4.555 1.00 0.64 H new ATOM 0 HD13 ILE A 56 4.927 -10.997 4.040 1.00 0.64 H new ATOM 330 N PHE A 57 4.085 -7.478 8.527 1.00 0.20 N ATOM 331 CA PHE A 57 4.120 -6.075 8.928 1.00 0.19 C ATOM 332 C PHE A 57 4.661 -5.914 10.349 1.00 0.16 C ATOM 333 O PHE A 57 5.421 -4.987 10.637 1.00 0.15 O ATOM 334 CB PHE A 57 2.706 -5.488 8.838 1.00 0.21 C ATOM 335 CG PHE A 57 2.605 -4.036 9.204 1.00 0.21 C ATOM 336 CD1 PHE A 57 2.945 -3.053 8.292 1.00 0.26 C ATOM 337 CD2 PHE A 57 2.152 -3.654 10.455 1.00 0.22 C ATOM 338 CE1 PHE A 57 2.834 -1.715 8.621 1.00 0.29 C ATOM 339 CE2 PHE A 57 2.044 -2.322 10.791 1.00 0.25 C ATOM 340 CZ PHE A 57 2.385 -1.351 9.872 1.00 0.27 C ATOM 0 H PHE A 57 3.160 -7.804 8.246 1.00 0.20 H new ATOM 0 HA PHE A 57 4.789 -5.540 8.254 1.00 0.19 H new ATOM 0 HB2 PHE A 57 2.337 -5.619 7.821 1.00 0.21 H new ATOM 0 HB3 PHE A 57 2.048 -6.060 9.492 1.00 0.21 H new ATOM 0 HD1 PHE A 57 3.301 -3.334 7.312 1.00 0.26 H new ATOM 0 HD2 PHE A 57 1.880 -4.410 11.177 1.00 0.22 H new ATOM 0 HE1 PHE A 57 3.099 -0.956 7.899 1.00 0.29 H new ATOM 0 HE2 PHE A 57 1.693 -2.039 11.772 1.00 0.25 H new ATOM 0 HZ PHE A 57 2.300 -0.306 10.133 1.00 0.27 H new ATOM 350 N TYR A 58 4.293 -6.837 11.228 1.00 0.19 N ATOM 351 CA TYR A 58 4.641 -6.724 12.639 1.00 0.22 C ATOM 352 C TYR A 58 6.075 -7.174 12.901 1.00 0.26 C ATOM 353 O TYR A 58 6.566 -7.070 14.024 1.00 0.39 O ATOM 354 CB TYR A 58 3.668 -7.531 13.511 1.00 0.26 C ATOM 355 CG TYR A 58 2.219 -7.110 13.368 1.00 0.40 C ATOM 356 CD1 TYR A 58 1.883 -5.800 13.058 1.00 1.07 C ATOM 357 CD2 TYR A 58 1.189 -8.029 13.533 1.00 1.04 C ATOM 358 CE1 TYR A 58 0.564 -5.418 12.911 1.00 1.17 C ATOM 359 CE2 TYR A 58 -0.131 -7.653 13.391 1.00 1.17 C ATOM 360 CZ TYR A 58 -0.437 -6.347 13.075 1.00 0.83 C ATOM 361 OH TYR A 58 -1.752 -5.971 12.921 1.00 1.05 O ATOM 0 H TYR A 58 3.755 -7.670 10.990 1.00 0.19 H new ATOM 0 HA TYR A 58 4.562 -5.670 12.907 1.00 0.22 H new ATOM 0 HB2 TYR A 58 3.756 -8.587 13.254 1.00 0.26 H new ATOM 0 HB3 TYR A 58 3.964 -7.431 14.555 1.00 0.26 H new ATOM 0 HD1 TYR A 58 2.666 -5.067 12.930 1.00 1.07 H new ATOM 0 HD2 TYR A 58 1.426 -9.054 13.776 1.00 1.04 H new ATOM 0 HE1 TYR A 58 0.320 -4.394 12.668 1.00 1.17 H new ATOM 0 HE2 TYR A 58 -0.920 -8.378 13.527 1.00 1.17 H new ATOM 0 HH TYR A 58 -2.008 -6.056 11.979 1.00 1.05 H new ATOM 371 N THR A 59 6.755 -7.661 11.870 1.00 0.25 N ATOM 372 CA THR A 59 8.132 -8.106 12.028 1.00 0.29 C ATOM 373 C THR A 59 9.111 -7.045 11.532 1.00 0.29 C ATOM 374 O THR A 59 10.326 -7.208 11.638 1.00 0.36 O ATOM 375 CB THR A 59 8.397 -9.442 11.300 1.00 0.35 C ATOM 376 OG1 THR A 59 8.147 -9.317 9.896 1.00 0.44 O ATOM 377 CG2 THR A 59 7.530 -10.551 11.872 1.00 0.38 C ATOM 0 H THR A 59 6.380 -7.757 10.926 1.00 0.25 H new ATOM 0 HA THR A 59 8.289 -8.266 13.095 1.00 0.29 H new ATOM 0 HB THR A 59 9.446 -9.697 11.452 1.00 0.35 H new ATOM 0 HG1 THR A 59 7.218 -9.039 9.753 1.00 0.44 H new ATOM 0 HG21 THR A 59 7.734 -11.482 11.343 1.00 0.38 H new ATOM 0 HG22 THR A 59 7.754 -10.678 12.931 1.00 0.38 H new ATOM 0 HG23 THR A 59 6.479 -10.289 11.753 1.00 0.38 H new ATOM 385 N LEU A 60 8.577 -5.948 11.008 1.00 0.26 N ATOM 386 CA LEU A 60 9.412 -4.864 10.506 1.00 0.27 C ATOM 387 C LEU A 60 9.460 -3.716 11.507 1.00 0.30 C ATOM 388 O LEU A 60 9.854 -2.603 11.166 1.00 0.38 O ATOM 389 CB LEU A 60 8.897 -4.361 9.155 1.00 0.29 C ATOM 390 CG LEU A 60 8.971 -5.371 8.008 1.00 0.31 C ATOM 391 CD1 LEU A 60 8.487 -4.738 6.714 1.00 1.37 C ATOM 392 CD2 LEU A 60 10.390 -5.899 7.847 1.00 1.22 C ATOM 0 H LEU A 60 7.574 -5.786 10.920 1.00 0.26 H new ATOM 0 HA LEU A 60 10.421 -5.253 10.369 1.00 0.27 H new ATOM 0 HB2 LEU A 60 7.860 -4.047 9.274 1.00 0.29 H new ATOM 0 HB3 LEU A 60 9.467 -3.476 8.874 1.00 0.29 H new ATOM 0 HG LEU A 60 8.320 -6.212 8.247 1.00 0.31 H new ATOM 0 HD11 LEU A 60 8.546 -5.469 5.907 1.00 1.37 H new ATOM 0 HD12 LEU A 60 7.454 -4.411 6.833 1.00 1.37 H new ATOM 0 HD13 LEU A 60 9.114 -3.880 6.472 1.00 1.37 H new ATOM 0 HD21 LEU A 60 10.421 -6.616 7.026 1.00 1.22 H new ATOM 0 HD22 LEU A 60 11.064 -5.070 7.631 1.00 1.22 H new ATOM 0 HD23 LEU A 60 10.702 -6.390 8.769 1.00 1.22 H new ATOM 404 N SER A 61 9.063 -4.015 12.743 1.00 0.27 N ATOM 405 CA SER A 61 9.028 -3.033 13.825 1.00 0.30 C ATOM 406 C SER A 61 8.037 -1.905 13.519 1.00 0.28 C ATOM 407 O SER A 61 8.417 -0.832 13.046 1.00 0.36 O ATOM 408 CB SER A 61 10.431 -2.466 14.101 1.00 0.41 C ATOM 409 OG SER A 61 10.403 -1.507 15.143 1.00 1.24 O ATOM 0 H SER A 61 8.756 -4.947 13.023 1.00 0.27 H new ATOM 0 HA SER A 61 8.686 -3.545 14.724 1.00 0.30 H new ATOM 0 HB2 SER A 61 11.107 -3.278 14.369 1.00 0.41 H new ATOM 0 HB3 SER A 61 10.826 -2.009 13.194 1.00 0.41 H new ATOM 0 HG SER A 61 11.308 -1.165 15.297 1.00 1.24 H new ATOM 415 N PRO A 62 6.738 -2.150 13.760 1.00 0.24 N ATOM 416 CA PRO A 62 5.689 -1.158 13.538 1.00 0.29 C ATOM 417 C PRO A 62 5.626 -0.130 14.665 1.00 0.32 C ATOM 418 O PRO A 62 5.850 -0.458 15.832 1.00 0.47 O ATOM 419 CB PRO A 62 4.392 -1.985 13.507 1.00 0.35 C ATOM 420 CG PRO A 62 4.803 -3.416 13.657 1.00 0.33 C ATOM 421 CD PRO A 62 6.180 -3.411 14.255 1.00 0.23 C ATOM 0 HA PRO A 62 5.863 -0.588 12.625 1.00 0.29 H new ATOM 0 HB2 PRO A 62 3.721 -1.687 14.313 1.00 0.35 H new ATOM 0 HB3 PRO A 62 3.855 -1.831 12.571 1.00 0.35 H new ATOM 0 HG2 PRO A 62 4.105 -3.954 14.299 1.00 0.33 H new ATOM 0 HG3 PRO A 62 4.803 -3.922 12.691 1.00 0.33 H new ATOM 0 HD2 PRO A 62 6.149 -3.441 15.344 1.00 0.23 H new ATOM 0 HD3 PRO A 62 6.767 -4.270 13.929 1.00 0.23 H new ATOM 429 N VAL A 63 5.331 1.110 14.311 1.00 0.29 N ATOM 430 CA VAL A 63 5.158 2.170 15.293 1.00 0.36 C ATOM 431 C VAL A 63 3.776 2.801 15.149 1.00 0.37 C ATOM 432 O VAL A 63 3.431 3.333 14.094 1.00 0.38 O ATOM 433 CB VAL A 63 6.260 3.257 15.180 1.00 0.47 C ATOM 434 CG1 VAL A 63 7.605 2.699 15.619 1.00 1.02 C ATOM 435 CG2 VAL A 63 6.357 3.809 13.762 1.00 1.02 C ATOM 0 H VAL A 63 5.205 1.409 13.344 1.00 0.29 H new ATOM 0 HA VAL A 63 5.248 1.718 16.281 1.00 0.36 H new ATOM 0 HB VAL A 63 5.983 4.078 15.842 1.00 0.47 H new ATOM 0 HG11 VAL A 63 8.366 3.475 15.533 1.00 1.02 H new ATOM 0 HG12 VAL A 63 7.540 2.367 16.655 1.00 1.02 H new ATOM 0 HG13 VAL A 63 7.874 1.855 14.984 1.00 1.02 H new ATOM 0 HG21 VAL A 63 7.138 4.568 13.720 1.00 1.02 H new ATOM 0 HG22 VAL A 63 6.599 3.000 13.072 1.00 1.02 H new ATOM 0 HG23 VAL A 63 5.403 4.254 13.479 1.00 1.02 H new ATOM 445 N ASN A 64 2.969 2.682 16.199 1.00 0.44 N ATOM 446 CA ASN A 64 1.608 3.229 16.220 1.00 0.52 C ATOM 447 C ASN A 64 0.736 2.582 15.144 1.00 0.44 C ATOM 448 O ASN A 64 -0.270 3.151 14.724 1.00 0.50 O ATOM 449 CB ASN A 64 1.625 4.752 16.033 1.00 0.64 C ATOM 450 CG ASN A 64 2.323 5.493 17.165 1.00 0.84 C ATOM 451 OD1 ASN A 64 2.276 4.940 18.367 1.00 1.34 O flip ATOM 452 ND2 ASN A 64 2.902 6.560 16.960 1.00 1.31 N flip ATOM 0 H ASN A 64 3.236 2.205 17.060 1.00 0.44 H new ATOM 0 HA ASN A 64 1.180 3.001 17.196 1.00 0.52 H new ATOM 0 HB2 ASN A 64 2.122 4.989 15.092 1.00 0.64 H new ATOM 0 HB3 ASN A 64 0.599 5.112 15.951 1.00 0.64 H new ATOM 0 HD21 ASN A 64 2.919 6.959 16.021 1.00 1.31 H new ATOM 0 HD22 ASN A 64 3.364 7.045 17.729 1.00 1.31 H new ATOM 459 N GLY A 65 1.116 1.382 14.721 1.00 0.40 N ATOM 460 CA GLY A 65 0.341 0.660 13.726 1.00 0.43 C ATOM 461 C GLY A 65 0.783 0.950 12.304 1.00 0.33 C ATOM 462 O GLY A 65 0.157 0.494 11.350 1.00 0.35 O ATOM 0 H GLY A 65 1.949 0.894 15.050 1.00 0.40 H new ATOM 0 HA2 GLY A 65 0.424 -0.410 13.915 1.00 0.43 H new ATOM 0 HA3 GLY A 65 -0.712 0.922 13.834 1.00 0.43 H new ATOM 466 N LYS A 66 1.865 1.707 12.159 1.00 0.28 N ATOM 467 CA LYS A 66 2.374 2.080 10.847 1.00 0.26 C ATOM 468 C LYS A 66 3.890 1.913 10.810 1.00 0.23 C ATOM 469 O LYS A 66 4.536 1.896 11.852 1.00 0.27 O ATOM 470 CB LYS A 66 1.997 3.532 10.529 1.00 0.34 C ATOM 471 CG LYS A 66 0.504 3.803 10.642 1.00 0.64 C ATOM 472 CD LYS A 66 0.149 5.241 10.305 1.00 0.75 C ATOM 473 CE LYS A 66 0.437 5.573 8.847 1.00 1.05 C ATOM 474 NZ LYS A 66 -0.451 6.659 8.346 1.00 1.48 N ATOM 0 H LYS A 66 2.408 2.076 12.940 1.00 0.28 H new ATOM 0 HA LYS A 66 1.927 1.428 10.096 1.00 0.26 H new ATOM 0 HB2 LYS A 66 2.532 4.196 11.207 1.00 0.34 H new ATOM 0 HB3 LYS A 66 2.328 3.773 9.519 1.00 0.34 H new ATOM 0 HG2 LYS A 66 -0.036 3.132 9.974 1.00 0.64 H new ATOM 0 HG3 LYS A 66 0.172 3.578 11.656 1.00 0.64 H new ATOM 0 HD2 LYS A 66 -0.907 5.412 10.514 1.00 0.75 H new ATOM 0 HD3 LYS A 66 0.715 5.915 10.949 1.00 0.75 H new ATOM 0 HE2 LYS A 66 1.479 5.876 8.741 1.00 1.05 H new ATOM 0 HE3 LYS A 66 0.301 4.680 8.236 1.00 1.05 H new ATOM 0 HZ1 LYS A 66 -0.976 6.322 7.514 1.00 1.48 H new ATOM 0 HZ2 LYS A 66 -1.123 6.930 9.092 1.00 1.48 H new ATOM 0 HZ3 LYS A 66 0.125 7.484 8.082 1.00 1.48 H new ATOM 488 N ILE A 67 4.456 1.770 9.622 1.00 0.25 N ATOM 489 CA ILE A 67 5.905 1.661 9.494 1.00 0.27 C ATOM 490 C ILE A 67 6.446 2.710 8.538 1.00 0.26 C ATOM 491 O ILE A 67 5.694 3.316 7.766 1.00 0.29 O ATOM 492 CB ILE A 67 6.372 0.262 9.020 1.00 0.30 C ATOM 493 CG1 ILE A 67 5.784 -0.080 7.649 1.00 0.28 C ATOM 494 CG2 ILE A 67 6.016 -0.803 10.050 1.00 0.33 C ATOM 495 CD1 ILE A 67 6.345 -1.350 7.054 1.00 0.64 C ATOM 0 H ILE A 67 3.944 1.727 8.741 1.00 0.25 H new ATOM 0 HA ILE A 67 6.302 1.824 10.496 1.00 0.27 H new ATOM 0 HB ILE A 67 7.457 0.285 8.918 1.00 0.30 H new ATOM 0 HG12 ILE A 67 4.702 -0.178 7.740 1.00 0.28 H new ATOM 0 HG13 ILE A 67 5.973 0.747 6.965 1.00 0.28 H new ATOM 0 HG21 ILE A 67 6.353 -1.778 9.697 1.00 0.33 H new ATOM 0 HG22 ILE A 67 6.504 -0.571 10.997 1.00 0.33 H new ATOM 0 HG23 ILE A 67 4.936 -0.823 10.194 1.00 0.33 H new ATOM 0 HD11 ILE A 67 5.884 -1.531 6.083 1.00 0.64 H new ATOM 0 HD12 ILE A 67 7.423 -1.249 6.931 1.00 0.64 H new ATOM 0 HD13 ILE A 67 6.133 -2.188 7.718 1.00 0.64 H new ATOM 507 N THR A 68 7.753 2.914 8.601 1.00 0.32 N ATOM 508 CA THR A 68 8.428 3.880 7.757 1.00 0.36 C ATOM 509 C THR A 68 8.716 3.292 6.381 1.00 0.33 C ATOM 510 O THR A 68 8.649 2.074 6.190 1.00 0.33 O ATOM 511 CB THR A 68 9.754 4.333 8.396 1.00 0.45 C ATOM 512 OG1 THR A 68 10.553 3.188 8.731 1.00 0.55 O ATOM 513 CG2 THR A 68 9.494 5.166 9.644 1.00 0.50 C ATOM 0 H THR A 68 8.372 2.414 9.239 1.00 0.32 H new ATOM 0 HA THR A 68 7.766 4.739 7.650 1.00 0.36 H new ATOM 0 HB THR A 68 10.291 4.949 7.675 1.00 0.45 H new ATOM 0 HG1 THR A 68 11.395 3.484 9.135 1.00 0.55 H new ATOM 0 HG21 THR A 68 10.444 5.475 10.079 1.00 0.50 H new ATOM 0 HG22 THR A 68 8.912 6.049 9.378 1.00 0.50 H new ATOM 0 HG23 THR A 68 8.939 4.571 10.369 1.00 0.50 H new ATOM 521 N GLY A 69 9.056 4.157 5.433 1.00 0.37 N ATOM 522 CA GLY A 69 9.360 3.710 4.091 1.00 0.41 C ATOM 523 C GLY A 69 10.689 2.988 4.006 1.00 0.35 C ATOM 524 O GLY A 69 10.974 2.336 3.011 1.00 0.37 O ATOM 0 H GLY A 69 9.126 5.165 5.573 1.00 0.37 H new ATOM 0 HA2 GLY A 69 8.567 3.047 3.744 1.00 0.41 H new ATOM 0 HA3 GLY A 69 9.373 4.569 3.420 1.00 0.41 H new ATOM 528 N ALA A 70 11.491 3.094 5.057 1.00 0.33 N ATOM 529 CA ALA A 70 12.803 2.459 5.089 1.00 0.33 C ATOM 530 C ALA A 70 12.678 0.940 5.044 1.00 0.31 C ATOM 531 O ALA A 70 13.178 0.288 4.127 1.00 0.34 O ATOM 532 CB ALA A 70 13.565 2.894 6.330 1.00 0.38 C ATOM 0 H ALA A 70 11.256 3.615 5.902 1.00 0.33 H new ATOM 0 HA ALA A 70 13.358 2.776 4.206 1.00 0.33 H new ATOM 0 HB1 ALA A 70 14.543 2.414 6.343 1.00 0.38 H new ATOM 0 HB2 ALA A 70 13.692 3.976 6.318 1.00 0.38 H new ATOM 0 HB3 ALA A 70 13.006 2.604 7.220 1.00 0.38 H new ATOM 538 N ASN A 71 11.980 0.389 6.027 1.00 0.33 N ATOM 539 CA ASN A 71 11.809 -1.054 6.141 1.00 0.36 C ATOM 540 C ASN A 71 10.927 -1.575 5.017 1.00 0.32 C ATOM 541 O ASN A 71 11.184 -2.642 4.445 1.00 0.32 O ATOM 542 CB ASN A 71 11.212 -1.394 7.509 1.00 0.46 C ATOM 543 CG ASN A 71 12.128 -0.956 8.637 1.00 0.76 C ATOM 544 OD1 ASN A 71 12.998 -1.710 9.068 1.00 1.81 O ATOM 545 ND2 ASN A 71 11.943 0.268 9.115 1.00 0.61 N ATOM 0 H ASN A 71 11.519 0.924 6.763 1.00 0.33 H new ATOM 0 HA ASN A 71 12.781 -1.539 6.054 1.00 0.36 H new ATOM 0 HB2 ASN A 71 10.243 -0.907 7.616 1.00 0.46 H new ATOM 0 HB3 ASN A 71 11.039 -2.468 7.575 1.00 0.46 H new ATOM 0 HD21 ASN A 71 12.535 0.616 9.869 1.00 0.61 H new ATOM 0 HD22 ASN A 71 11.209 0.861 8.728 1.00 0.61 H new ATOM 552 N ALA A 72 9.903 -0.795 4.681 1.00 0.32 N ATOM 553 CA ALA A 72 9.025 -1.133 3.577 1.00 0.33 C ATOM 554 C ALA A 72 9.829 -1.237 2.286 1.00 0.30 C ATOM 555 O ALA A 72 9.641 -2.164 1.503 1.00 0.32 O ATOM 556 CB ALA A 72 7.922 -0.094 3.435 1.00 0.39 C ATOM 0 H ALA A 72 9.665 0.074 5.160 1.00 0.32 H new ATOM 0 HA ALA A 72 8.561 -2.098 3.781 1.00 0.33 H new ATOM 0 HB1 ALA A 72 7.273 -0.364 2.602 1.00 0.39 H new ATOM 0 HB2 ALA A 72 7.337 -0.057 4.354 1.00 0.39 H new ATOM 0 HB3 ALA A 72 8.365 0.884 3.248 1.00 0.39 H new ATOM 562 N LYS A 73 10.743 -0.287 2.079 1.00 0.29 N ATOM 563 CA LYS A 73 11.614 -0.293 0.905 1.00 0.30 C ATOM 564 C LYS A 73 12.499 -1.533 0.891 1.00 0.26 C ATOM 565 O LYS A 73 12.719 -2.120 -0.160 1.00 0.27 O ATOM 566 CB LYS A 73 12.485 0.968 0.863 1.00 0.36 C ATOM 567 CG LYS A 73 13.409 1.043 -0.346 1.00 0.47 C ATOM 568 CD LYS A 73 14.143 2.369 -0.393 1.00 0.67 C ATOM 569 CE LYS A 73 15.057 2.456 -1.602 1.00 0.84 C ATOM 570 NZ LYS A 73 15.715 3.781 -1.700 1.00 0.76 N ATOM 0 H LYS A 73 10.898 0.498 2.712 1.00 0.29 H new ATOM 0 HA LYS A 73 10.976 -0.308 0.021 1.00 0.30 H new ATOM 0 HB2 LYS A 73 11.837 1.845 0.867 1.00 0.36 H new ATOM 0 HB3 LYS A 73 13.087 1.012 1.771 1.00 0.36 H new ATOM 0 HG2 LYS A 73 14.130 0.226 -0.307 1.00 0.47 H new ATOM 0 HG3 LYS A 73 12.829 0.913 -1.259 1.00 0.47 H new ATOM 0 HD2 LYS A 73 13.421 3.185 -0.422 1.00 0.67 H new ATOM 0 HD3 LYS A 73 14.729 2.494 0.517 1.00 0.67 H new ATOM 0 HE2 LYS A 73 15.816 1.677 -1.540 1.00 0.84 H new ATOM 0 HE3 LYS A 73 14.481 2.268 -2.508 1.00 0.84 H new ATOM 0 HZ1 LYS A 73 16.318 3.808 -2.547 1.00 0.76 H new ATOM 0 HZ2 LYS A 73 14.991 4.524 -1.767 1.00 0.76 H new ATOM 0 HZ3 LYS A 73 16.299 3.942 -0.855 1.00 0.76 H new ATOM 584 N LYS A 74 12.996 -1.929 2.062 1.00 0.26 N ATOM 585 CA LYS A 74 13.837 -3.124 2.172 1.00 0.29 C ATOM 586 C LYS A 74 13.085 -4.360 1.683 1.00 0.29 C ATOM 587 O LYS A 74 13.672 -5.267 1.090 1.00 0.35 O ATOM 588 CB LYS A 74 14.301 -3.344 3.617 1.00 0.34 C ATOM 589 CG LYS A 74 15.181 -2.232 4.163 1.00 1.03 C ATOM 590 CD LYS A 74 15.582 -2.494 5.607 1.00 1.05 C ATOM 591 CE LYS A 74 16.434 -3.745 5.739 1.00 1.63 C ATOM 592 NZ LYS A 74 16.767 -4.035 7.156 1.00 1.95 N ATOM 0 H LYS A 74 12.833 -1.444 2.944 1.00 0.26 H new ATOM 0 HA LYS A 74 14.714 -2.966 1.544 1.00 0.29 H new ATOM 0 HB2 LYS A 74 13.425 -3.446 4.257 1.00 0.34 H new ATOM 0 HB3 LYS A 74 14.848 -4.285 3.672 1.00 0.34 H new ATOM 0 HG2 LYS A 74 16.076 -2.140 3.547 1.00 1.03 H new ATOM 0 HG3 LYS A 74 14.650 -1.282 4.099 1.00 1.03 H new ATOM 0 HD2 LYS A 74 16.134 -1.636 5.992 1.00 1.05 H new ATOM 0 HD3 LYS A 74 14.686 -2.598 6.220 1.00 1.05 H new ATOM 0 HE2 LYS A 74 15.903 -4.594 5.309 1.00 1.63 H new ATOM 0 HE3 LYS A 74 17.354 -3.621 5.167 1.00 1.63 H new ATOM 0 HZ1 LYS A 74 17.349 -4.895 7.207 1.00 1.95 H new ATOM 0 HZ2 LYS A 74 17.296 -3.235 7.559 1.00 1.95 H new ATOM 0 HZ3 LYS A 74 15.890 -4.178 7.696 1.00 1.95 H new ATOM 606 N GLU A 75 11.782 -4.374 1.902 1.00 0.31 N ATOM 607 CA GLU A 75 10.964 -5.506 1.489 1.00 0.35 C ATOM 608 C GLU A 75 10.624 -5.402 0.008 1.00 0.32 C ATOM 609 O GLU A 75 10.832 -6.345 -0.754 1.00 0.35 O ATOM 610 CB GLU A 75 9.681 -5.592 2.309 1.00 0.41 C ATOM 611 CG GLU A 75 8.762 -6.706 1.843 1.00 0.59 C ATOM 612 CD GLU A 75 7.458 -6.757 2.604 1.00 0.93 C ATOM 613 OE1 GLU A 75 6.621 -5.855 2.414 1.00 1.60 O ATOM 614 OE2 GLU A 75 7.269 -7.711 3.385 1.00 1.09 O ATOM 0 H GLU A 75 11.268 -3.621 2.360 1.00 0.31 H new ATOM 0 HA GLU A 75 11.542 -6.413 1.663 1.00 0.35 H new ATOM 0 HB2 GLU A 75 9.934 -5.750 3.357 1.00 0.41 H new ATOM 0 HB3 GLU A 75 9.152 -4.641 2.249 1.00 0.41 H new ATOM 0 HG2 GLU A 75 8.551 -6.575 0.782 1.00 0.59 H new ATOM 0 HG3 GLU A 75 9.276 -7.661 1.950 1.00 0.59 H new ATOM 621 N MET A 76 10.122 -4.240 -0.389 1.00 0.29 N ATOM 622 CA MET A 76 9.773 -3.977 -1.784 1.00 0.30 C ATOM 623 C MET A 76 10.991 -4.180 -2.683 1.00 0.30 C ATOM 624 O MET A 76 10.865 -4.510 -3.864 1.00 0.38 O ATOM 625 CB MET A 76 9.258 -2.540 -1.931 1.00 0.39 C ATOM 626 CG MET A 76 8.034 -2.215 -1.083 1.00 0.56 C ATOM 627 SD MET A 76 6.492 -2.863 -1.758 1.00 1.04 S ATOM 628 CE MET A 76 6.296 -1.837 -3.214 1.00 1.24 C ATOM 0 H MET A 76 9.945 -3.457 0.240 1.00 0.29 H new ATOM 0 HA MET A 76 8.991 -4.674 -2.085 1.00 0.30 H new ATOM 0 HB2 MET A 76 10.060 -1.852 -1.666 1.00 0.39 H new ATOM 0 HB3 MET A 76 9.016 -2.360 -2.978 1.00 0.39 H new ATOM 0 HG2 MET A 76 8.180 -2.618 -0.081 1.00 0.56 H new ATOM 0 HG3 MET A 76 7.950 -1.133 -0.982 1.00 0.56 H new ATOM 0 HE1 MET A 76 5.321 -1.350 -3.187 1.00 1.24 H new ATOM 0 HE2 MET A 76 7.080 -1.080 -3.234 1.00 1.24 H new ATOM 0 HE3 MET A 76 6.367 -2.457 -4.108 1.00 1.24 H new ATOM 638 N VAL A 77 12.172 -3.983 -2.113 1.00 0.29 N ATOM 639 CA VAL A 77 13.408 -4.122 -2.855 1.00 0.35 C ATOM 640 C VAL A 77 13.894 -5.572 -2.842 1.00 0.33 C ATOM 641 O VAL A 77 14.556 -6.022 -3.781 1.00 0.37 O ATOM 642 CB VAL A 77 14.505 -3.178 -2.301 1.00 0.51 C ATOM 643 CG1 VAL A 77 15.246 -3.780 -1.114 1.00 1.57 C ATOM 644 CG2 VAL A 77 15.475 -2.795 -3.391 1.00 1.14 C ATOM 0 H VAL A 77 12.295 -3.725 -1.134 1.00 0.29 H new ATOM 0 HA VAL A 77 13.206 -3.836 -3.887 1.00 0.35 H new ATOM 0 HB VAL A 77 14.001 -2.281 -1.941 1.00 0.51 H new ATOM 0 HG11 VAL A 77 16.003 -3.079 -0.764 1.00 1.57 H new ATOM 0 HG12 VAL A 77 14.540 -3.983 -0.309 1.00 1.57 H new ATOM 0 HG13 VAL A 77 15.726 -4.710 -1.418 1.00 1.57 H new ATOM 0 HG21 VAL A 77 16.238 -2.132 -2.983 1.00 1.14 H new ATOM 0 HG22 VAL A 77 15.949 -3.693 -3.788 1.00 1.14 H new ATOM 0 HG23 VAL A 77 14.940 -2.283 -4.191 1.00 1.14 H new ATOM 654 N LYS A 78 13.544 -6.314 -1.791 1.00 0.36 N ATOM 655 CA LYS A 78 13.972 -7.701 -1.673 1.00 0.45 C ATOM 656 C LYS A 78 13.049 -8.611 -2.485 1.00 0.42 C ATOM 657 O LYS A 78 13.380 -9.767 -2.758 1.00 0.47 O ATOM 658 CB LYS A 78 14.076 -8.109 -0.190 1.00 0.61 C ATOM 659 CG LYS A 78 12.771 -8.507 0.473 1.00 0.71 C ATOM 660 CD LYS A 78 12.485 -9.967 0.220 1.00 1.25 C ATOM 661 CE LYS A 78 13.453 -10.867 0.977 1.00 1.79 C ATOM 662 NZ LYS A 78 13.079 -12.300 0.874 1.00 2.79 N ATOM 0 H LYS A 78 12.970 -5.978 -1.017 1.00 0.36 H new ATOM 0 HA LYS A 78 14.971 -7.813 -2.094 1.00 0.45 H new ATOM 0 HB2 LYS A 78 14.773 -8.943 -0.109 1.00 0.61 H new ATOM 0 HB3 LYS A 78 14.507 -7.278 0.368 1.00 0.61 H new ATOM 0 HG2 LYS A 78 12.827 -8.320 1.545 1.00 0.71 H new ATOM 0 HG3 LYS A 78 11.956 -7.896 0.085 1.00 0.71 H new ATOM 0 HD2 LYS A 78 11.463 -10.196 0.522 1.00 1.25 H new ATOM 0 HD3 LYS A 78 12.556 -10.173 -0.848 1.00 1.25 H new ATOM 0 HE2 LYS A 78 14.460 -10.726 0.585 1.00 1.79 H new ATOM 0 HE3 LYS A 78 13.476 -10.573 2.026 1.00 1.79 H new ATOM 0 HZ1 LYS A 78 13.764 -12.876 1.403 1.00 2.79 H new ATOM 0 HZ2 LYS A 78 12.128 -12.440 1.272 1.00 2.79 H new ATOM 0 HZ3 LYS A 78 13.082 -12.589 -0.125 1.00 2.79 H new ATOM 676 N SER A 79 11.895 -8.075 -2.889 1.00 0.40 N ATOM 677 CA SER A 79 11.022 -8.760 -3.840 1.00 0.43 C ATOM 678 C SER A 79 11.553 -8.595 -5.266 1.00 0.38 C ATOM 679 O SER A 79 10.917 -9.021 -6.232 1.00 0.44 O ATOM 680 CB SER A 79 9.582 -8.239 -3.725 1.00 0.54 C ATOM 681 OG SER A 79 9.563 -6.853 -3.439 1.00 1.27 O ATOM 0 H SER A 79 11.545 -7.171 -2.572 1.00 0.40 H new ATOM 0 HA SER A 79 11.014 -9.823 -3.601 1.00 0.43 H new ATOM 0 HB2 SER A 79 9.048 -8.429 -4.656 1.00 0.54 H new ATOM 0 HB3 SER A 79 9.057 -8.783 -2.940 1.00 0.54 H new ATOM 0 HG SER A 79 10.290 -6.409 -3.924 1.00 1.27 H new ATOM 687 N LYS A 80 12.728 -7.959 -5.372 1.00 0.39 N ATOM 688 CA LYS A 80 13.470 -7.845 -6.629 1.00 0.42 C ATOM 689 C LYS A 80 12.705 -7.048 -7.681 1.00 0.35 C ATOM 690 O LYS A 80 12.831 -7.298 -8.880 1.00 0.45 O ATOM 691 CB LYS A 80 13.829 -9.237 -7.160 1.00 0.54 C ATOM 692 CG LYS A 80 14.661 -10.059 -6.184 1.00 0.85 C ATOM 693 CD LYS A 80 15.093 -11.388 -6.786 1.00 1.32 C ATOM 694 CE LYS A 80 16.070 -11.191 -7.931 1.00 2.10 C ATOM 695 NZ LYS A 80 16.508 -12.488 -8.507 1.00 2.97 N ATOM 0 H LYS A 80 13.190 -7.508 -4.582 1.00 0.39 H new ATOM 0 HA LYS A 80 14.387 -7.295 -6.419 1.00 0.42 H new ATOM 0 HB2 LYS A 80 12.911 -9.778 -7.390 1.00 0.54 H new ATOM 0 HB3 LYS A 80 14.379 -9.131 -8.095 1.00 0.54 H new ATOM 0 HG2 LYS A 80 15.543 -9.490 -5.890 1.00 0.85 H new ATOM 0 HG3 LYS A 80 14.083 -10.242 -5.278 1.00 0.85 H new ATOM 0 HD2 LYS A 80 15.555 -12.005 -6.015 1.00 1.32 H new ATOM 0 HD3 LYS A 80 14.216 -11.928 -7.144 1.00 1.32 H new ATOM 0 HE2 LYS A 80 15.603 -10.587 -8.708 1.00 2.10 H new ATOM 0 HE3 LYS A 80 16.940 -10.638 -7.577 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 17.174 -12.314 -9.286 1.00 2.97 H new ATOM 0 HZ2 LYS A 80 16.976 -13.054 -7.771 1.00 2.97 H new ATOM 0 HZ3 LYS A 80 15.681 -13.005 -8.868 1.00 2.97 H new ATOM 709 N LEU A 81 11.937 -6.074 -7.235 1.00 0.31 N ATOM 710 CA LEU A 81 11.214 -5.208 -8.146 1.00 0.30 C ATOM 711 C LEU A 81 11.928 -3.870 -8.274 1.00 0.30 C ATOM 712 O LEU A 81 12.467 -3.361 -7.292 1.00 0.41 O ATOM 713 CB LEU A 81 9.778 -5.000 -7.666 1.00 0.37 C ATOM 714 CG LEU A 81 8.898 -6.255 -7.670 1.00 0.42 C ATOM 715 CD1 LEU A 81 7.506 -5.928 -7.145 1.00 0.52 C ATOM 716 CD2 LEU A 81 8.814 -6.842 -9.072 1.00 0.47 C ATOM 0 H LEU A 81 11.797 -5.862 -6.247 1.00 0.31 H new ATOM 0 HA LEU A 81 11.182 -5.685 -9.126 1.00 0.30 H new ATOM 0 HB2 LEU A 81 9.805 -4.599 -6.653 1.00 0.37 H new ATOM 0 HB3 LEU A 81 9.308 -4.244 -8.295 1.00 0.37 H new ATOM 0 HG LEU A 81 9.351 -6.997 -7.013 1.00 0.42 H new ATOM 0 HD11 LEU A 81 6.893 -6.829 -7.154 1.00 0.52 H new ATOM 0 HD12 LEU A 81 7.581 -5.550 -6.125 1.00 0.52 H new ATOM 0 HD13 LEU A 81 7.047 -5.170 -7.780 1.00 0.52 H new ATOM 0 HD21 LEU A 81 8.185 -7.732 -9.057 1.00 0.47 H new ATOM 0 HD22 LEU A 81 8.383 -6.105 -9.750 1.00 0.47 H new ATOM 0 HD23 LEU A 81 9.813 -7.109 -9.415 1.00 0.47 H new ATOM 728 N PRO A 82 11.962 -3.299 -9.490 1.00 0.28 N ATOM 729 CA PRO A 82 12.609 -2.007 -9.744 1.00 0.34 C ATOM 730 C PRO A 82 12.062 -0.890 -8.859 1.00 0.33 C ATOM 731 O PRO A 82 10.850 -0.773 -8.672 1.00 0.27 O ATOM 732 CB PRO A 82 12.289 -1.724 -11.214 1.00 0.43 C ATOM 733 CG PRO A 82 12.019 -3.060 -11.811 1.00 0.44 C ATOM 734 CD PRO A 82 11.389 -3.878 -10.719 1.00 0.37 C ATOM 0 HA PRO A 82 13.676 -2.045 -9.525 1.00 0.34 H new ATOM 0 HB2 PRO A 82 11.425 -1.066 -11.311 1.00 0.43 H new ATOM 0 HB3 PRO A 82 13.123 -1.230 -11.712 1.00 0.43 H new ATOM 0 HG2 PRO A 82 11.354 -2.977 -12.670 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.940 -3.523 -12.165 1.00 0.44 H new ATOM 0 HD2 PRO A 82 10.302 -3.798 -10.733 1.00 0.37 H new ATOM 0 HD3 PRO A 82 11.632 -4.936 -10.817 1.00 0.37 H new ATOM 742 N ASN A 83 12.969 -0.072 -8.330 1.00 0.44 N ATOM 743 CA ASN A 83 12.607 1.048 -7.456 1.00 0.49 C ATOM 744 C ASN A 83 11.536 1.951 -8.076 1.00 0.42 C ATOM 745 O ASN A 83 10.677 2.478 -7.373 1.00 0.41 O ATOM 746 CB ASN A 83 13.844 1.879 -7.087 1.00 0.64 C ATOM 747 CG ASN A 83 14.701 2.273 -8.284 1.00 1.05 C ATOM 748 OD1 ASN A 83 14.211 2.431 -9.403 1.00 1.85 O ATOM 749 ND2 ASN A 83 15.991 2.434 -8.050 1.00 1.79 N ATOM 0 H ASN A 83 13.972 -0.164 -8.492 1.00 0.44 H new ATOM 0 HA ASN A 83 12.186 0.611 -6.550 1.00 0.49 H new ATOM 0 HB2 ASN A 83 13.522 2.783 -6.570 1.00 0.64 H new ATOM 0 HB3 ASN A 83 14.455 1.311 -6.386 1.00 0.64 H new ATOM 0 HD21 ASN A 83 16.618 2.698 -8.810 1.00 1.79 H new ATOM 0 HD22 ASN A 83 16.360 2.294 -7.109 1.00 1.79 H new ATOM 756 N THR A 84 11.583 2.114 -9.388 1.00 0.43 N ATOM 757 CA THR A 84 10.625 2.955 -10.082 1.00 0.45 C ATOM 758 C THR A 84 9.236 2.317 -10.063 1.00 0.35 C ATOM 759 O THR A 84 8.225 3.000 -9.875 1.00 0.34 O ATOM 760 CB THR A 84 11.078 3.203 -11.530 1.00 0.59 C ATOM 761 OG1 THR A 84 12.426 3.700 -11.523 1.00 1.47 O ATOM 762 CG2 THR A 84 10.163 4.201 -12.231 1.00 1.27 C ATOM 0 H THR A 84 12.276 1.674 -9.994 1.00 0.43 H new ATOM 0 HA THR A 84 10.572 3.913 -9.565 1.00 0.45 H new ATOM 0 HB THR A 84 11.029 2.261 -12.077 1.00 0.59 H new ATOM 0 HG1 THR A 84 12.915 3.309 -10.769 1.00 1.47 H new ATOM 0 HG21 THR A 84 10.509 4.356 -13.253 1.00 1.27 H new ATOM 0 HG22 THR A 84 9.145 3.812 -12.247 1.00 1.27 H new ATOM 0 HG23 THR A 84 10.180 5.150 -11.694 1.00 1.27 H new ATOM 770 N VAL A 85 9.198 0.996 -10.223 1.00 0.32 N ATOM 771 CA VAL A 85 7.946 0.250 -10.152 1.00 0.32 C ATOM 772 C VAL A 85 7.414 0.293 -8.726 1.00 0.26 C ATOM 773 O VAL A 85 6.205 0.387 -8.496 1.00 0.31 O ATOM 774 CB VAL A 85 8.131 -1.220 -10.597 1.00 0.36 C ATOM 775 CG1 VAL A 85 6.813 -1.981 -10.525 1.00 0.44 C ATOM 776 CG2 VAL A 85 8.708 -1.277 -12.003 1.00 0.45 C ATOM 0 H VAL A 85 10.021 0.421 -10.403 1.00 0.32 H new ATOM 0 HA VAL A 85 7.233 0.716 -10.833 1.00 0.32 H new ATOM 0 HB VAL A 85 8.832 -1.699 -9.914 1.00 0.36 H new ATOM 0 HG11 VAL A 85 6.970 -3.012 -10.843 1.00 0.44 H new ATOM 0 HG12 VAL A 85 6.442 -1.970 -9.500 1.00 0.44 H new ATOM 0 HG13 VAL A 85 6.083 -1.507 -11.180 1.00 0.44 H new ATOM 0 HG21 VAL A 85 8.833 -2.317 -12.303 1.00 0.45 H new ATOM 0 HG22 VAL A 85 8.029 -0.779 -12.695 1.00 0.45 H new ATOM 0 HG23 VAL A 85 9.676 -0.776 -12.020 1.00 0.45 H new ATOM 786 N LEU A 86 8.337 0.252 -7.774 1.00 0.24 N ATOM 787 CA LEU A 86 7.993 0.375 -6.367 1.00 0.28 C ATOM 788 C LEU A 86 7.398 1.750 -6.098 1.00 0.24 C ATOM 789 O LEU A 86 6.517 1.896 -5.257 1.00 0.28 O ATOM 790 CB LEU A 86 9.230 0.163 -5.487 1.00 0.37 C ATOM 791 CG LEU A 86 9.988 -1.145 -5.724 1.00 0.51 C ATOM 792 CD1 LEU A 86 11.190 -1.248 -4.797 1.00 0.90 C ATOM 793 CD2 LEU A 86 9.066 -2.340 -5.543 1.00 0.82 C ATOM 0 H LEU A 86 9.334 0.134 -7.954 1.00 0.24 H new ATOM 0 HA LEU A 86 7.258 -0.391 -6.122 1.00 0.28 H new ATOM 0 HB2 LEU A 86 9.916 0.995 -5.647 1.00 0.37 H new ATOM 0 HB3 LEU A 86 8.922 0.201 -4.442 1.00 0.37 H new ATOM 0 HG LEU A 86 10.351 -1.146 -6.752 1.00 0.51 H new ATOM 0 HD11 LEU A 86 11.714 -2.186 -4.983 1.00 0.90 H new ATOM 0 HD12 LEU A 86 11.865 -0.412 -4.982 1.00 0.90 H new ATOM 0 HD13 LEU A 86 10.854 -1.220 -3.761 1.00 0.90 H new ATOM 0 HD21 LEU A 86 9.624 -3.260 -5.716 1.00 0.82 H new ATOM 0 HD22 LEU A 86 8.668 -2.342 -4.528 1.00 0.82 H new ATOM 0 HD23 LEU A 86 8.243 -2.276 -6.255 1.00 0.82 H new ATOM 805 N GLY A 87 7.881 2.751 -6.830 1.00 0.23 N ATOM 806 CA GLY A 87 7.377 4.103 -6.681 1.00 0.26 C ATOM 807 C GLY A 87 5.956 4.224 -7.179 1.00 0.27 C ATOM 808 O GLY A 87 5.138 4.931 -6.589 1.00 0.32 O ATOM 0 H GLY A 87 8.618 2.647 -7.528 1.00 0.23 H new ATOM 0 HA2 GLY A 87 7.422 4.395 -5.632 1.00 0.26 H new ATOM 0 HA3 GLY A 87 8.016 4.793 -7.232 1.00 0.26 H new ATOM 812 N LYS A 88 5.665 3.528 -8.271 1.00 0.27 N ATOM 813 CA LYS A 88 4.304 3.442 -8.790 1.00 0.36 C ATOM 814 C LYS A 88 3.383 2.872 -7.717 1.00 0.33 C ATOM 815 O LYS A 88 2.352 3.463 -7.364 1.00 0.35 O ATOM 816 CB LYS A 88 4.267 2.529 -10.020 1.00 0.50 C ATOM 817 CG LYS A 88 5.183 2.961 -11.157 1.00 0.74 C ATOM 818 CD LYS A 88 4.651 4.182 -11.891 1.00 1.03 C ATOM 819 CE LYS A 88 5.501 4.504 -13.113 1.00 1.50 C ATOM 820 NZ LYS A 88 4.943 5.634 -13.905 1.00 1.89 N ATOM 0 H LYS A 88 6.356 3.013 -8.817 1.00 0.27 H new ATOM 0 HA LYS A 88 3.970 4.441 -9.072 1.00 0.36 H new ATOM 0 HB2 LYS A 88 4.540 1.519 -9.715 1.00 0.50 H new ATOM 0 HB3 LYS A 88 3.244 2.484 -10.392 1.00 0.50 H new ATOM 0 HG2 LYS A 88 6.174 3.181 -10.759 1.00 0.74 H new ATOM 0 HG3 LYS A 88 5.298 2.137 -11.861 1.00 0.74 H new ATOM 0 HD2 LYS A 88 3.620 4.004 -12.198 1.00 1.03 H new ATOM 0 HD3 LYS A 88 4.640 5.038 -11.217 1.00 1.03 H new ATOM 0 HE2 LYS A 88 6.514 4.751 -12.794 1.00 1.50 H new ATOM 0 HE3 LYS A 88 5.573 3.620 -13.746 1.00 1.50 H new ATOM 0 HZ1 LYS A 88 5.554 5.817 -14.726 1.00 1.89 H new ATOM 0 HZ2 LYS A 88 3.987 5.389 -14.233 1.00 1.89 H new ATOM 0 HZ3 LYS A 88 4.898 6.486 -13.310 1.00 1.89 H new ATOM 834 N ILE A 89 3.786 1.726 -7.186 1.00 0.34 N ATOM 835 CA ILE A 89 3.009 1.027 -6.181 1.00 0.38 C ATOM 836 C ILE A 89 2.913 1.837 -4.887 1.00 0.30 C ATOM 837 O ILE A 89 1.880 1.818 -4.228 1.00 0.31 O ATOM 838 CB ILE A 89 3.593 -0.376 -5.903 1.00 0.49 C ATOM 839 CG1 ILE A 89 3.526 -1.211 -7.186 1.00 0.59 C ATOM 840 CG2 ILE A 89 2.843 -1.061 -4.764 1.00 0.55 C ATOM 841 CD1 ILE A 89 3.983 -2.644 -7.025 1.00 0.71 C ATOM 0 H ILE A 89 4.657 1.259 -7.440 1.00 0.34 H new ATOM 0 HA ILE A 89 2.000 0.904 -6.575 1.00 0.38 H new ATOM 0 HB ILE A 89 4.634 -0.278 -5.594 1.00 0.49 H new ATOM 0 HG12 ILE A 89 2.500 -1.209 -7.553 1.00 0.59 H new ATOM 0 HG13 ILE A 89 4.138 -0.731 -7.949 1.00 0.59 H new ATOM 0 HG21 ILE A 89 3.272 -2.047 -4.587 1.00 0.55 H new ATOM 0 HG22 ILE A 89 2.929 -0.460 -3.859 1.00 0.55 H new ATOM 0 HG23 ILE A 89 1.792 -1.166 -5.032 1.00 0.55 H new ATOM 0 HD11 ILE A 89 3.902 -3.161 -7.981 1.00 0.71 H new ATOM 0 HD12 ILE A 89 5.020 -2.660 -6.690 1.00 0.71 H new ATOM 0 HD13 ILE A 89 3.356 -3.145 -6.287 1.00 0.71 H new ATOM 853 N TRP A 90 3.973 2.568 -4.541 1.00 0.27 N ATOM 854 CA TRP A 90 3.948 3.444 -3.375 1.00 0.23 C ATOM 855 C TRP A 90 2.861 4.500 -3.535 1.00 0.26 C ATOM 856 O TRP A 90 2.073 4.735 -2.622 1.00 0.29 O ATOM 857 CB TRP A 90 5.310 4.124 -3.173 1.00 0.25 C ATOM 858 CG TRP A 90 5.352 5.037 -1.985 1.00 0.24 C ATOM 859 CD1 TRP A 90 5.051 6.366 -1.969 1.00 0.29 C ATOM 860 CD2 TRP A 90 5.718 4.688 -0.644 1.00 0.23 C ATOM 861 NE1 TRP A 90 5.205 6.867 -0.701 1.00 0.30 N ATOM 862 CE2 TRP A 90 5.615 5.856 0.131 1.00 0.26 C ATOM 863 CE3 TRP A 90 6.121 3.501 -0.025 1.00 0.26 C ATOM 864 CZ2 TRP A 90 5.900 5.870 1.496 1.00 0.30 C ATOM 865 CZ3 TRP A 90 6.405 3.518 1.326 1.00 0.32 C ATOM 866 CH2 TRP A 90 6.293 4.694 2.073 1.00 0.33 C ATOM 0 H TRP A 90 4.856 2.569 -5.051 1.00 0.27 H new ATOM 0 HA TRP A 90 3.731 2.836 -2.497 1.00 0.23 H new ATOM 0 HB2 TRP A 90 6.077 3.357 -3.059 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.559 4.694 -4.068 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.737 6.940 -2.828 1.00 0.29 H new ATOM 0 HE1 TRP A 90 5.041 7.834 -0.422 1.00 0.30 H new ATOM 0 HE3 TRP A 90 6.209 2.587 -0.594 1.00 0.26 H new ATOM 0 HZ2 TRP A 90 5.814 6.777 2.076 1.00 0.30 H new ATOM 0 HZ3 TRP A 90 6.719 2.607 1.814 1.00 0.32 H new ATOM 0 HH2 TRP A 90 6.522 4.674 3.128 1.00 0.33 H new ATOM 877 N LYS A 91 2.812 5.107 -4.717 1.00 0.30 N ATOM 878 CA LYS A 91 1.843 6.160 -5.004 1.00 0.41 C ATOM 879 C LYS A 91 0.420 5.602 -5.008 1.00 0.41 C ATOM 880 O LYS A 91 -0.550 6.347 -4.869 1.00 0.47 O ATOM 881 CB LYS A 91 2.148 6.818 -6.356 1.00 0.58 C ATOM 882 CG LYS A 91 1.516 8.195 -6.516 1.00 0.90 C ATOM 883 CD LYS A 91 1.647 8.731 -7.937 1.00 1.49 C ATOM 884 CE LYS A 91 0.696 8.025 -8.889 1.00 2.16 C ATOM 885 NZ LYS A 91 0.728 8.628 -10.246 1.00 2.70 N ATOM 0 H LYS A 91 3.435 4.887 -5.494 1.00 0.30 H new ATOM 0 HA LYS A 91 1.921 6.912 -4.219 1.00 0.41 H new ATOM 0 HB2 LYS A 91 3.228 6.907 -6.473 1.00 0.58 H new ATOM 0 HB3 LYS A 91 1.793 6.168 -7.156 1.00 0.58 H new ATOM 0 HG2 LYS A 91 0.461 8.142 -6.246 1.00 0.90 H new ATOM 0 HG3 LYS A 91 1.988 8.891 -5.823 1.00 0.90 H new ATOM 0 HD2 LYS A 91 1.442 9.801 -7.943 1.00 1.49 H new ATOM 0 HD3 LYS A 91 2.672 8.601 -8.283 1.00 1.49 H new ATOM 0 HE2 LYS A 91 0.962 6.970 -8.953 1.00 2.16 H new ATOM 0 HE3 LYS A 91 -0.318 8.074 -8.493 1.00 2.16 H new ATOM 0 HZ1 LYS A 91 0.067 8.120 -10.867 1.00 2.70 H new ATOM 0 HZ2 LYS A 91 0.450 9.628 -10.188 1.00 2.70 H new ATOM 0 HZ3 LYS A 91 1.690 8.558 -10.634 1.00 2.70 H new ATOM 899 N LEU A 92 0.299 4.292 -5.191 1.00 0.40 N ATOM 900 CA LEU A 92 -1.006 3.638 -5.158 1.00 0.47 C ATOM 901 C LEU A 92 -1.346 3.125 -3.757 1.00 0.46 C ATOM 902 O LEU A 92 -2.514 3.072 -3.374 1.00 0.61 O ATOM 903 CB LEU A 92 -1.039 2.471 -6.144 1.00 0.54 C ATOM 904 CG LEU A 92 -0.756 2.838 -7.599 1.00 0.97 C ATOM 905 CD1 LEU A 92 -0.825 1.598 -8.472 1.00 1.51 C ATOM 906 CD2 LEU A 92 -1.741 3.894 -8.085 1.00 1.66 C ATOM 0 H LEU A 92 1.084 3.664 -5.363 1.00 0.40 H new ATOM 0 HA LEU A 92 -1.750 4.383 -5.441 1.00 0.47 H new ATOM 0 HB2 LEU A 92 -0.309 1.727 -5.826 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -2.020 1.999 -6.090 1.00 0.54 H new ATOM 0 HG LEU A 92 0.249 3.255 -7.666 1.00 0.97 H new ATOM 0 HD11 LEU A 92 -0.622 1.870 -9.508 1.00 1.51 H new ATOM 0 HD12 LEU A 92 -0.083 0.874 -8.135 1.00 1.51 H new ATOM 0 HD13 LEU A 92 -1.820 1.158 -8.401 1.00 1.51 H new ATOM 0 HD21 LEU A 92 -1.524 4.143 -9.124 1.00 1.66 H new ATOM 0 HD22 LEU A 92 -2.757 3.506 -8.009 1.00 1.66 H new ATOM 0 HD23 LEU A 92 -1.648 4.789 -7.470 1.00 1.66 H new ATOM 918 N ALA A 93 -0.326 2.736 -3.006 1.00 0.37 N ATOM 919 CA ALA A 93 -0.527 2.117 -1.702 1.00 0.42 C ATOM 920 C ALA A 93 -0.653 3.155 -0.596 1.00 0.38 C ATOM 921 O ALA A 93 -1.485 3.013 0.297 1.00 0.43 O ATOM 922 CB ALA A 93 0.610 1.161 -1.395 1.00 0.47 C ATOM 0 H ALA A 93 0.652 2.838 -3.277 1.00 0.37 H new ATOM 0 HA ALA A 93 -1.464 1.562 -1.742 1.00 0.42 H new ATOM 0 HB1 ALA A 93 0.448 0.705 -0.418 1.00 0.47 H new ATOM 0 HB2 ALA A 93 0.647 0.383 -2.157 1.00 0.47 H new ATOM 0 HB3 ALA A 93 1.553 1.707 -1.389 1.00 0.47 H new ATOM 928 N ASP A 94 0.178 4.191 -0.649 1.00 0.33 N ATOM 929 CA ASP A 94 0.111 5.262 0.342 1.00 0.35 C ATOM 930 C ASP A 94 -1.011 6.219 -0.038 1.00 0.32 C ATOM 931 O ASP A 94 -0.788 7.262 -0.655 1.00 0.37 O ATOM 932 CB ASP A 94 1.453 6.009 0.466 1.00 0.37 C ATOM 933 CG ASP A 94 1.506 6.934 1.675 1.00 0.45 C ATOM 934 OD1 ASP A 94 0.823 6.641 2.687 1.00 0.46 O ATOM 935 OD2 ASP A 94 2.250 7.944 1.642 1.00 0.79 O ATOM 0 H ASP A 94 0.899 4.313 -1.360 1.00 0.33 H new ATOM 0 HA ASP A 94 -0.096 4.824 1.318 1.00 0.35 H new ATOM 0 HB2 ASP A 94 2.263 5.282 0.535 1.00 0.37 H new ATOM 0 HB3 ASP A 94 1.624 6.592 -0.439 1.00 0.37 H new ATOM 940 N VAL A 95 -2.228 5.827 0.318 1.00 0.35 N ATOM 941 CA VAL A 95 -3.433 6.542 -0.080 1.00 0.42 C ATOM 942 C VAL A 95 -3.602 7.820 0.726 1.00 0.50 C ATOM 943 O VAL A 95 -4.080 8.834 0.210 1.00 0.61 O ATOM 944 CB VAL A 95 -4.690 5.660 0.093 1.00 0.49 C ATOM 945 CG1 VAL A 95 -5.940 6.374 -0.402 1.00 0.59 C ATOM 946 CG2 VAL A 95 -4.512 4.340 -0.634 1.00 0.51 C ATOM 0 H VAL A 95 -2.407 5.003 0.892 1.00 0.35 H new ATOM 0 HA VAL A 95 -3.321 6.797 -1.134 1.00 0.42 H new ATOM 0 HB VAL A 95 -4.817 5.463 1.157 1.00 0.49 H new ATOM 0 HG11 VAL A 95 -6.807 5.727 -0.266 1.00 0.59 H new ATOM 0 HG12 VAL A 95 -6.082 7.294 0.165 1.00 0.59 H new ATOM 0 HG13 VAL A 95 -5.828 6.613 -1.460 1.00 0.59 H new ATOM 0 HG21 VAL A 95 -5.405 3.729 -0.503 1.00 0.51 H new ATOM 0 HG22 VAL A 95 -4.353 4.528 -1.696 1.00 0.51 H new ATOM 0 HG23 VAL A 95 -3.649 3.813 -0.226 1.00 0.51 H new ATOM 956 N ASP A 96 -3.198 7.777 1.989 1.00 0.49 N ATOM 957 CA ASP A 96 -3.297 8.953 2.840 1.00 0.59 C ATOM 958 C ASP A 96 -2.100 9.862 2.593 1.00 0.53 C ATOM 959 O ASP A 96 -2.064 10.998 3.069 1.00 0.67 O ATOM 960 CB ASP A 96 -3.413 8.574 4.329 1.00 0.66 C ATOM 961 CG ASP A 96 -2.136 8.011 4.928 1.00 0.64 C ATOM 962 OD1 ASP A 96 -1.354 7.386 4.189 1.00 0.56 O ATOM 963 OD2 ASP A 96 -1.905 8.192 6.141 1.00 0.96 O ATOM 0 H ASP A 96 -2.804 6.952 2.441 1.00 0.49 H new ATOM 0 HA ASP A 96 -4.210 9.490 2.583 1.00 0.59 H new ATOM 0 HB2 ASP A 96 -3.708 9.457 4.895 1.00 0.66 H new ATOM 0 HB3 ASP A 96 -4.210 7.840 4.445 1.00 0.66 H new ATOM 968 N LYS A 97 -1.138 9.347 1.816 1.00 0.40 N ATOM 969 CA LYS A 97 0.038 10.103 1.384 1.00 0.43 C ATOM 970 C LYS A 97 0.716 10.796 2.557 1.00 0.37 C ATOM 971 O LYS A 97 0.622 12.016 2.724 1.00 0.54 O ATOM 972 CB LYS A 97 -0.342 11.110 0.297 1.00 0.65 C ATOM 973 CG LYS A 97 -0.930 10.450 -0.940 1.00 0.87 C ATOM 974 CD LYS A 97 -1.358 11.476 -1.977 1.00 1.21 C ATOM 975 CE LYS A 97 -1.981 10.806 -3.191 1.00 2.08 C ATOM 976 NZ LYS A 97 -2.508 11.797 -4.168 1.00 2.96 N ATOM 0 H LYS A 97 -1.157 8.388 1.469 1.00 0.40 H new ATOM 0 HA LYS A 97 0.755 9.397 0.964 1.00 0.43 H new ATOM 0 HB2 LYS A 97 -1.064 11.820 0.702 1.00 0.65 H new ATOM 0 HB3 LYS A 97 0.542 11.681 0.013 1.00 0.65 H new ATOM 0 HG2 LYS A 97 -0.193 9.776 -1.378 1.00 0.87 H new ATOM 0 HG3 LYS A 97 -1.788 9.842 -0.654 1.00 0.87 H new ATOM 0 HD2 LYS A 97 -2.074 12.168 -1.533 1.00 1.21 H new ATOM 0 HD3 LYS A 97 -0.495 12.065 -2.287 1.00 1.21 H new ATOM 0 HE2 LYS A 97 -1.237 10.177 -3.679 1.00 2.08 H new ATOM 0 HE3 LYS A 97 -2.790 10.151 -2.868 1.00 2.08 H new ATOM 0 HZ1 LYS A 97 -2.924 11.297 -4.980 1.00 2.96 H new ATOM 0 HZ2 LYS A 97 -3.237 12.381 -3.711 1.00 2.96 H new ATOM 0 HZ3 LYS A 97 -1.732 12.406 -4.497 1.00 2.96 H new ATOM 990 N ASP A 98 1.383 10.007 3.378 1.00 0.36 N ATOM 991 CA ASP A 98 1.962 10.518 4.603 1.00 0.37 C ATOM 992 C ASP A 98 3.388 10.010 4.789 1.00 0.36 C ATOM 993 O ASP A 98 3.988 10.200 5.849 1.00 0.41 O ATOM 994 CB ASP A 98 1.090 10.110 5.797 1.00 0.42 C ATOM 995 CG ASP A 98 1.162 8.627 6.124 1.00 0.35 C ATOM 996 OD1 ASP A 98 0.975 7.784 5.210 1.00 0.37 O ATOM 997 OD2 ASP A 98 1.381 8.296 7.302 1.00 0.43 O ATOM 0 H ASP A 98 1.536 9.011 3.218 1.00 0.36 H new ATOM 0 HA ASP A 98 2.000 11.606 4.541 1.00 0.37 H new ATOM 0 HB2 ASP A 98 1.397 10.682 6.673 1.00 0.42 H new ATOM 0 HB3 ASP A 98 0.054 10.378 5.588 1.00 0.42 H new ATOM 1002 N GLY A 99 3.935 9.373 3.756 1.00 0.35 N ATOM 1003 CA GLY A 99 5.303 8.875 3.826 1.00 0.41 C ATOM 1004 C GLY A 99 5.426 7.643 4.704 1.00 0.41 C ATOM 1005 O GLY A 99 6.497 7.044 4.809 1.00 0.44 O ATOM 0 H GLY A 99 3.458 9.192 2.873 1.00 0.35 H new ATOM 0 HA2 GLY A 99 5.652 8.638 2.821 1.00 0.41 H new ATOM 0 HA3 GLY A 99 5.953 9.660 4.213 1.00 0.41 H new ATOM 1009 N LEU A 100 4.328 7.270 5.336 1.00 0.46 N ATOM 1010 CA LEU A 100 4.278 6.097 6.182 1.00 0.48 C ATOM 1011 C LEU A 100 3.228 5.145 5.646 1.00 0.38 C ATOM 1012 O LEU A 100 2.282 5.560 4.972 1.00 0.40 O ATOM 1013 CB LEU A 100 3.937 6.483 7.628 1.00 0.61 C ATOM 1014 CG LEU A 100 4.956 7.373 8.340 1.00 0.60 C ATOM 1015 CD1 LEU A 100 4.398 7.850 9.674 1.00 1.11 C ATOM 1016 CD2 LEU A 100 6.258 6.619 8.553 1.00 0.88 C ATOM 0 H LEU A 100 3.444 7.775 5.275 1.00 0.46 H new ATOM 0 HA LEU A 100 5.256 5.615 6.178 1.00 0.48 H new ATOM 0 HB2 LEU A 100 2.974 6.993 7.630 1.00 0.61 H new ATOM 0 HB3 LEU A 100 3.814 5.569 8.208 1.00 0.61 H new ATOM 0 HG LEU A 100 5.156 8.243 7.714 1.00 0.60 H new ATOM 0 HD11 LEU A 100 5.134 8.483 10.171 1.00 1.11 H new ATOM 0 HD12 LEU A 100 3.485 8.420 9.503 1.00 1.11 H new ATOM 0 HD13 LEU A 100 4.176 6.989 10.304 1.00 1.11 H new ATOM 0 HD21 LEU A 100 6.974 7.265 9.061 1.00 0.88 H new ATOM 0 HD22 LEU A 100 6.071 5.735 9.163 1.00 0.88 H new ATOM 0 HD23 LEU A 100 6.664 6.315 7.588 1.00 0.88 H new ATOM 1028 N LEU A 101 3.385 3.876 5.930 1.00 0.35 N ATOM 1029 CA LEU A 101 2.410 2.902 5.497 1.00 0.31 C ATOM 1030 C LEU A 101 1.615 2.399 6.681 1.00 0.34 C ATOM 1031 O LEU A 101 2.188 1.901 7.654 1.00 0.42 O ATOM 1032 CB LEU A 101 3.089 1.729 4.785 1.00 0.33 C ATOM 1033 CG LEU A 101 3.765 2.077 3.458 1.00 0.33 C ATOM 1034 CD1 LEU A 101 4.371 0.835 2.829 1.00 0.39 C ATOM 1035 CD2 LEU A 101 2.772 2.718 2.501 1.00 0.30 C ATOM 0 H LEU A 101 4.172 3.494 6.455 1.00 0.35 H new ATOM 0 HA LEU A 101 1.734 3.386 4.792 1.00 0.31 H new ATOM 0 HB2 LEU A 101 3.836 1.302 5.454 1.00 0.33 H new ATOM 0 HB3 LEU A 101 2.344 0.955 4.603 1.00 0.33 H new ATOM 0 HG LEU A 101 4.562 2.792 3.660 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.848 1.101 1.886 1.00 0.39 H new ATOM 0 HD12 LEU A 101 5.114 0.411 3.504 1.00 0.39 H new ATOM 0 HD13 LEU A 101 3.587 0.101 2.645 1.00 0.39 H new ATOM 0 HD21 LEU A 101 3.273 2.958 1.563 1.00 0.30 H new ATOM 0 HD22 LEU A 101 1.953 2.025 2.308 1.00 0.30 H new ATOM 0 HD23 LEU A 101 2.377 3.632 2.945 1.00 0.30 H new ATOM 1047 N ASP A 102 0.299 2.552 6.609 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.581 1.921 7.580 1.00 0.39 C ATOM 1049 C ASP A 102 -0.537 0.427 7.353 1.00 0.24 C ATOM 1050 O ASP A 102 -0.018 -0.031 6.333 1.00 0.20 O ATOM 1051 CB ASP A 102 -2.041 2.383 7.432 1.00 0.57 C ATOM 1052 CG ASP A 102 -2.269 3.835 7.786 1.00 0.70 C ATOM 1053 OD1 ASP A 102 -2.416 4.144 8.978 1.00 1.72 O ATOM 1054 OD2 ASP A 102 -2.327 4.670 6.861 1.00 0.97 O ATOM 0 H ASP A 102 -0.178 3.103 5.895 1.00 0.33 H new ATOM 0 HA ASP A 102 -0.238 2.198 8.577 1.00 0.39 H new ATOM 0 HB2 ASP A 102 -2.361 2.217 6.403 1.00 0.57 H new ATOM 0 HB3 ASP A 102 -2.673 1.762 8.067 1.00 0.57 H new ATOM 1059 N ASP A 103 -1.082 -0.334 8.280 1.00 0.26 N ATOM 1060 CA ASP A 103 -1.191 -1.771 8.090 1.00 0.29 C ATOM 1061 C ASP A 103 -2.067 -2.052 6.867 1.00 0.25 C ATOM 1062 O ASP A 103 -1.866 -3.039 6.156 1.00 0.28 O ATOM 1063 CB ASP A 103 -1.743 -2.446 9.351 1.00 0.45 C ATOM 1064 CG ASP A 103 -3.192 -2.101 9.624 1.00 0.68 C ATOM 1065 OD1 ASP A 103 -3.449 -1.047 10.240 1.00 1.60 O ATOM 1066 OD2 ASP A 103 -4.075 -2.877 9.212 1.00 1.17 O ATOM 0 H ASP A 103 -1.454 0.011 9.165 1.00 0.26 H new ATOM 0 HA ASP A 103 -0.201 -2.192 7.912 1.00 0.29 H new ATOM 0 HB2 ASP A 103 -1.646 -3.527 9.249 1.00 0.45 H new ATOM 0 HB3 ASP A 103 -1.138 -2.151 10.208 1.00 0.45 H new ATOM 1071 N GLU A 104 -3.009 -1.143 6.607 1.00 0.26 N ATOM 1072 CA GLU A 104 -3.826 -1.203 5.399 1.00 0.28 C ATOM 1073 C GLU A 104 -2.952 -1.008 4.163 1.00 0.23 C ATOM 1074 O GLU A 104 -2.935 -1.843 3.259 1.00 0.24 O ATOM 1075 CB GLU A 104 -4.892 -0.105 5.400 1.00 0.37 C ATOM 1076 CG GLU A 104 -5.747 -0.042 6.653 1.00 0.59 C ATOM 1077 CD GLU A 104 -6.759 1.087 6.593 1.00 1.07 C ATOM 1078 OE1 GLU A 104 -6.369 2.225 6.252 1.00 1.63 O ATOM 1079 OE2 GLU A 104 -7.950 0.836 6.892 1.00 1.66 O ATOM 0 H GLU A 104 -3.223 -0.356 7.220 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.307 -2.181 5.379 1.00 0.28 H new ATOM 0 HB2 GLU A 104 -4.400 0.858 5.265 1.00 0.37 H new ATOM 0 HB3 GLU A 104 -5.545 -0.253 4.540 1.00 0.37 H new ATOM 0 HG2 GLU A 104 -6.269 -0.990 6.784 1.00 0.59 H new ATOM 0 HG3 GLU A 104 -5.105 0.092 7.524 1.00 0.59 H new ATOM 1086 N GLU A 105 -2.220 0.109 4.148 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.429 0.515 2.986 1.00 0.24 C ATOM 1088 C GLU A 105 -0.347 -0.513 2.677 1.00 0.18 C ATOM 1089 O GLU A 105 -0.087 -0.830 1.515 1.00 0.18 O ATOM 1090 CB GLU A 105 -0.796 1.891 3.226 1.00 0.33 C ATOM 1091 CG GLU A 105 -1.761 2.896 3.830 1.00 0.33 C ATOM 1092 CD GLU A 105 -1.293 4.336 3.713 1.00 0.35 C ATOM 1093 OE1 GLU A 105 -0.345 4.748 4.434 1.00 0.37 O ATOM 1094 OE2 GLU A 105 -1.880 5.076 2.909 1.00 0.44 O ATOM 0 H GLU A 105 -2.160 0.753 4.937 1.00 0.22 H new ATOM 0 HA GLU A 105 -2.097 0.578 2.127 1.00 0.24 H new ATOM 0 HB2 GLU A 105 0.063 1.778 3.888 1.00 0.33 H new ATOM 0 HB3 GLU A 105 -0.420 2.281 2.280 1.00 0.33 H new ATOM 0 HG2 GLU A 105 -2.729 2.797 3.340 1.00 0.33 H new ATOM 0 HG3 GLU A 105 -1.910 2.656 4.883 1.00 0.33 H new ATOM 1101 N PHE A 106 0.265 -1.038 3.731 1.00 0.18 N ATOM 1102 CA PHE A 106 1.294 -2.061 3.607 1.00 0.17 C ATOM 1103 C PHE A 106 0.711 -3.335 3.012 1.00 0.18 C ATOM 1104 O PHE A 106 1.279 -3.909 2.080 1.00 0.23 O ATOM 1105 CB PHE A 106 1.905 -2.348 4.981 1.00 0.18 C ATOM 1106 CG PHE A 106 3.002 -3.378 4.964 1.00 0.24 C ATOM 1107 CD1 PHE A 106 4.306 -3.017 4.660 1.00 0.35 C ATOM 1108 CD2 PHE A 106 2.725 -4.704 5.243 1.00 0.33 C ATOM 1109 CE1 PHE A 106 5.313 -3.963 4.638 1.00 0.42 C ATOM 1110 CE2 PHE A 106 3.727 -5.653 5.223 1.00 0.42 C ATOM 1111 CZ PHE A 106 5.030 -5.274 4.948 1.00 0.42 C ATOM 0 H PHE A 106 0.062 -0.767 4.693 1.00 0.18 H new ATOM 0 HA PHE A 106 2.074 -1.697 2.938 1.00 0.17 H new ATOM 0 HB2 PHE A 106 2.300 -1.419 5.392 1.00 0.18 H new ATOM 0 HB3 PHE A 106 1.116 -2.684 5.654 1.00 0.18 H new ATOM 0 HD1 PHE A 106 4.537 -1.986 4.438 1.00 0.35 H new ATOM 0 HD2 PHE A 106 1.714 -5.000 5.479 1.00 0.33 H new ATOM 0 HE1 PHE A 106 6.321 -3.674 4.378 1.00 0.42 H new ATOM 0 HE2 PHE A 106 3.495 -6.689 5.421 1.00 0.42 H new ATOM 0 HZ PHE A 106 5.823 -6.006 4.977 1.00 0.42 H new ATOM 1121 N ALA A 107 -0.425 -3.770 3.550 1.00 0.18 N ATOM 1122 CA ALA A 107 -1.094 -4.960 3.050 1.00 0.19 C ATOM 1123 C ALA A 107 -1.420 -4.814 1.569 1.00 0.18 C ATOM 1124 O ALA A 107 -1.178 -5.728 0.781 1.00 0.22 O ATOM 1125 CB ALA A 107 -2.361 -5.237 3.848 1.00 0.21 C ATOM 0 H ALA A 107 -0.898 -3.315 4.331 1.00 0.18 H new ATOM 0 HA ALA A 107 -0.417 -5.806 3.170 1.00 0.19 H new ATOM 0 HB1 ALA A 107 -2.848 -6.131 3.459 1.00 0.21 H new ATOM 0 HB2 ALA A 107 -2.105 -5.390 4.896 1.00 0.21 H new ATOM 0 HB3 ALA A 107 -3.039 -4.388 3.761 1.00 0.21 H new ATOM 1131 N LEU A 108 -1.959 -3.657 1.191 1.00 0.17 N ATOM 1132 CA LEU A 108 -2.314 -3.405 -0.199 1.00 0.19 C ATOM 1133 C LEU A 108 -1.089 -3.516 -1.097 1.00 0.20 C ATOM 1134 O LEU A 108 -1.129 -4.181 -2.134 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.959 -2.027 -0.362 1.00 0.23 C ATOM 1136 CG LEU A 108 -3.436 -1.710 -1.781 1.00 0.32 C ATOM 1137 CD1 LEU A 108 -4.514 -2.697 -2.215 1.00 1.33 C ATOM 1138 CD2 LEU A 108 -3.943 -0.280 -1.864 1.00 1.14 C ATOM 0 H LEU A 108 -2.158 -2.884 1.826 1.00 0.17 H new ATOM 0 HA LEU A 108 -3.039 -4.162 -0.498 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -3.809 -1.956 0.317 1.00 0.23 H new ATOM 0 HB3 LEU A 108 -2.241 -1.266 -0.056 1.00 0.23 H new ATOM 0 HG LEU A 108 -2.591 -1.810 -2.462 1.00 0.32 H new ATOM 0 HD11 LEU A 108 -4.842 -2.457 -3.226 1.00 1.33 H new ATOM 0 HD12 LEU A 108 -4.110 -3.709 -2.195 1.00 1.33 H new ATOM 0 HD13 LEU A 108 -5.362 -2.632 -1.534 1.00 1.33 H new ATOM 0 HD21 LEU A 108 -4.278 -0.071 -2.880 1.00 1.14 H new ATOM 0 HD22 LEU A 108 -4.776 -0.148 -1.173 1.00 1.14 H new ATOM 0 HD23 LEU A 108 -3.139 0.407 -1.599 1.00 1.14 H new ATOM 1150 N ALA A 109 0.000 -2.876 -0.686 1.00 0.23 N ATOM 1151 CA ALA A 109 1.248 -2.939 -1.431 1.00 0.28 C ATOM 1152 C ALA A 109 1.719 -4.384 -1.568 1.00 0.29 C ATOM 1153 O ALA A 109 2.069 -4.830 -2.656 1.00 0.32 O ATOM 1154 CB ALA A 109 2.317 -2.096 -0.756 1.00 0.32 C ATOM 0 H ALA A 109 0.042 -2.308 0.160 1.00 0.23 H new ATOM 0 HA ALA A 109 1.070 -2.537 -2.429 1.00 0.28 H new ATOM 0 HB1 ALA A 109 3.243 -2.156 -1.328 1.00 0.32 H new ATOM 0 HB2 ALA A 109 1.986 -1.058 -0.709 1.00 0.32 H new ATOM 0 HB3 ALA A 109 2.490 -2.468 0.254 1.00 0.32 H new ATOM 1160 N ASN A 110 1.692 -5.112 -0.455 1.00 0.30 N ATOM 1161 CA ASN A 110 2.093 -6.520 -0.428 1.00 0.33 C ATOM 1162 C ASN A 110 1.219 -7.365 -1.349 1.00 0.33 C ATOM 1163 O ASN A 110 1.695 -8.314 -1.976 1.00 0.39 O ATOM 1164 CB ASN A 110 2.001 -7.075 0.994 1.00 0.36 C ATOM 1165 CG ASN A 110 3.308 -7.020 1.763 1.00 0.58 C ATOM 1166 OD1 ASN A 110 3.530 -7.833 2.662 1.00 1.20 O ATOM 1167 ND2 ASN A 110 4.175 -6.078 1.424 1.00 0.71 N ATOM 0 H ASN A 110 1.394 -4.748 0.450 1.00 0.30 H new ATOM 0 HA ASN A 110 3.124 -6.571 -0.778 1.00 0.33 H new ATOM 0 HB2 ASN A 110 1.244 -6.515 1.543 1.00 0.36 H new ATOM 0 HB3 ASN A 110 1.661 -8.110 0.948 1.00 0.36 H new ATOM 0 HD21 ASN A 110 5.067 -6.006 1.914 1.00 0.71 H new ATOM 0 HD22 ASN A 110 3.951 -5.425 0.673 1.00 0.71 H new ATOM 1174 N HIS A 111 -0.067 -7.033 -1.420 1.00 0.29 N ATOM 1175 CA HIS A 111 -0.967 -7.741 -2.317 1.00 0.30 C ATOM 1176 C HIS A 111 -0.508 -7.520 -3.742 1.00 0.33 C ATOM 1177 O HIS A 111 -0.386 -8.464 -4.510 1.00 0.46 O ATOM 1178 CB HIS A 111 -2.413 -7.258 -2.177 1.00 0.26 C ATOM 1179 CG HIS A 111 -3.426 -8.276 -2.617 1.00 0.31 C ATOM 1180 ND1 HIS A 111 -3.639 -9.471 -1.961 1.00 0.46 N ATOM 1181 CD2 HIS A 111 -4.281 -8.273 -3.670 1.00 0.36 C ATOM 1182 CE1 HIS A 111 -4.575 -10.158 -2.591 1.00 0.52 C ATOM 1183 NE2 HIS A 111 -4.982 -9.454 -3.630 1.00 0.45 N ATOM 0 H HIS A 111 -0.502 -6.289 -0.875 1.00 0.29 H new ATOM 0 HA HIS A 111 -0.942 -8.799 -2.056 1.00 0.30 H new ATOM 0 HB2 HIS A 111 -2.601 -6.995 -1.136 1.00 0.26 H new ATOM 0 HB3 HIS A 111 -2.543 -6.349 -2.764 1.00 0.26 H new ATOM 0 HD2 HIS A 111 -4.390 -7.488 -4.404 1.00 0.36 H new ATOM 0 HE1 HIS A 111 -4.945 -11.131 -2.304 1.00 0.52 H new ATOM 0 HE2 HIS A 111 -5.700 -9.740 -4.295 1.00 0.45 H new ATOM 1192 N LEU A 112 -0.246 -6.260 -4.070 1.00 0.27 N ATOM 1193 CA LEU A 112 0.255 -5.897 -5.387 1.00 0.32 C ATOM 1194 C LEU A 112 1.565 -6.619 -5.686 1.00 0.36 C ATOM 1195 O LEU A 112 1.819 -6.990 -6.827 1.00 0.40 O ATOM 1196 CB LEU A 112 0.426 -4.379 -5.491 1.00 0.36 C ATOM 1197 CG LEU A 112 -0.873 -3.583 -5.330 1.00 0.43 C ATOM 1198 CD1 LEU A 112 -0.602 -2.093 -5.376 1.00 0.55 C ATOM 1199 CD2 LEU A 112 -1.877 -3.960 -6.411 1.00 0.52 C ATOM 0 H LEU A 112 -0.374 -5.470 -3.437 1.00 0.27 H new ATOM 0 HA LEU A 112 -0.475 -6.210 -6.134 1.00 0.32 H new ATOM 0 HB2 LEU A 112 1.135 -4.052 -4.730 1.00 0.36 H new ATOM 0 HB3 LEU A 112 0.866 -4.141 -6.459 1.00 0.36 H new ATOM 0 HG LEU A 112 -1.296 -3.832 -4.357 1.00 0.43 H new ATOM 0 HD11 LEU A 112 -1.539 -1.549 -5.260 1.00 0.55 H new ATOM 0 HD12 LEU A 112 0.078 -1.822 -4.568 1.00 0.55 H new ATOM 0 HD13 LEU A 112 -0.149 -1.835 -6.333 1.00 0.55 H new ATOM 0 HD21 LEU A 112 -2.791 -3.382 -6.276 1.00 0.52 H new ATOM 0 HD22 LEU A 112 -1.453 -3.745 -7.392 1.00 0.52 H new ATOM 0 HD23 LEU A 112 -2.106 -5.023 -6.340 1.00 0.52 H new ATOM 1211 N ILE A 113 2.384 -6.826 -4.653 1.00 0.39 N ATOM 1212 CA ILE A 113 3.604 -7.625 -4.778 1.00 0.49 C ATOM 1213 C ILE A 113 3.272 -9.021 -5.298 1.00 0.54 C ATOM 1214 O ILE A 113 3.846 -9.496 -6.278 1.00 0.60 O ATOM 1215 CB ILE A 113 4.331 -7.787 -3.430 1.00 0.55 C ATOM 1216 CG1 ILE A 113 4.612 -6.432 -2.793 1.00 0.57 C ATOM 1217 CG2 ILE A 113 5.630 -8.561 -3.606 1.00 0.73 C ATOM 1218 CD1 ILE A 113 5.343 -5.464 -3.686 1.00 0.84 C ATOM 0 H ILE A 113 2.224 -6.450 -3.718 1.00 0.39 H new ATOM 0 HA ILE A 113 4.253 -7.093 -5.473 1.00 0.49 H new ATOM 0 HB ILE A 113 3.675 -8.351 -2.766 1.00 0.55 H new ATOM 0 HG12 ILE A 113 3.666 -5.984 -2.489 1.00 0.57 H new ATOM 0 HG13 ILE A 113 5.198 -6.585 -1.887 1.00 0.57 H new ATOM 0 HG21 ILE A 113 6.126 -8.663 -2.641 1.00 0.73 H new ATOM 0 HG22 ILE A 113 5.412 -9.550 -4.009 1.00 0.73 H new ATOM 0 HG23 ILE A 113 6.283 -8.025 -4.295 1.00 0.73 H new ATOM 0 HD11 ILE A 113 5.501 -4.526 -3.153 1.00 0.84 H new ATOM 0 HD12 ILE A 113 6.306 -5.887 -3.970 1.00 0.84 H new ATOM 0 HD13 ILE A 113 4.751 -5.277 -4.582 1.00 0.84 H new ATOM 1230 N LYS A 114 2.327 -9.663 -4.620 1.00 0.56 N ATOM 1231 CA LYS A 114 1.922 -11.026 -4.942 1.00 0.70 C ATOM 1232 C LYS A 114 1.317 -11.115 -6.342 1.00 0.66 C ATOM 1233 O LYS A 114 1.659 -12.006 -7.116 1.00 0.68 O ATOM 1234 CB LYS A 114 0.914 -11.534 -3.904 1.00 0.86 C ATOM 1235 CG LYS A 114 0.421 -12.954 -4.160 1.00 1.54 C ATOM 1236 CD LYS A 114 1.555 -13.970 -4.103 1.00 2.03 C ATOM 1237 CE LYS A 114 2.098 -14.131 -2.691 1.00 2.96 C ATOM 1238 NZ LYS A 114 3.118 -15.210 -2.609 1.00 3.83 N ATOM 0 H LYS A 114 1.822 -9.254 -3.834 1.00 0.56 H new ATOM 0 HA LYS A 114 2.813 -11.653 -4.921 1.00 0.70 H new ATOM 0 HB2 LYS A 114 1.373 -11.493 -2.916 1.00 0.86 H new ATOM 0 HB3 LYS A 114 0.057 -10.861 -3.885 1.00 0.86 H new ATOM 0 HG2 LYS A 114 -0.336 -13.214 -3.420 1.00 1.54 H new ATOM 0 HG3 LYS A 114 -0.059 -13.001 -5.138 1.00 1.54 H new ATOM 0 HD2 LYS A 114 1.199 -14.933 -4.468 1.00 2.03 H new ATOM 0 HD3 LYS A 114 2.359 -13.655 -4.768 1.00 2.03 H new ATOM 0 HE2 LYS A 114 2.538 -13.190 -2.362 1.00 2.96 H new ATOM 0 HE3 LYS A 114 1.277 -14.355 -2.010 1.00 2.96 H new ATOM 0 HZ1 LYS A 114 3.463 -15.288 -1.631 1.00 3.83 H new ATOM 0 HZ2 LYS A 114 2.692 -16.113 -2.899 1.00 3.83 H new ATOM 0 HZ3 LYS A 114 3.913 -14.984 -3.240 1.00 3.83 H new ATOM 1252 N VAL A 115 0.427 -10.183 -6.663 1.00 0.64 N ATOM 1253 CA VAL A 115 -0.273 -10.211 -7.945 1.00 0.70 C ATOM 1254 C VAL A 115 0.672 -9.790 -9.076 1.00 0.71 C ATOM 1255 O VAL A 115 0.471 -10.155 -10.235 1.00 0.82 O ATOM 1256 CB VAL A 115 -1.544 -9.322 -7.932 1.00 0.80 C ATOM 1257 CG1 VAL A 115 -2.518 -9.770 -9.002 1.00 1.19 C ATOM 1258 CG2 VAL A 115 -2.233 -9.362 -6.577 1.00 1.07 C ATOM 0 H VAL A 115 0.173 -9.402 -6.058 1.00 0.64 H new ATOM 0 HA VAL A 115 -0.600 -11.236 -8.120 1.00 0.70 H new ATOM 0 HB VAL A 115 -1.228 -8.299 -8.134 1.00 0.80 H new ATOM 0 HG11 VAL A 115 -3.403 -9.135 -8.977 1.00 1.19 H new ATOM 0 HG12 VAL A 115 -2.044 -9.694 -9.981 1.00 1.19 H new ATOM 0 HG13 VAL A 115 -2.809 -10.804 -8.819 1.00 1.19 H new ATOM 0 HG21 VAL A 115 -3.120 -8.729 -6.601 1.00 1.07 H new ATOM 0 HG22 VAL A 115 -2.525 -10.387 -6.347 1.00 1.07 H new ATOM 0 HG23 VAL A 115 -1.549 -8.999 -5.810 1.00 1.07 H new ATOM 1268 N LYS A 116 1.713 -9.034 -8.727 1.00 0.65 N ATOM 1269 CA LYS A 116 2.796 -8.741 -9.663 1.00 0.73 C ATOM 1270 C LYS A 116 3.526 -10.028 -10.013 1.00 0.76 C ATOM 1271 O LYS A 116 3.726 -10.346 -11.186 1.00 0.90 O ATOM 1272 CB LYS A 116 3.777 -7.721 -9.057 1.00 0.72 C ATOM 1273 CG LYS A 116 5.098 -7.581 -9.813 1.00 0.95 C ATOM 1274 CD LYS A 116 4.934 -6.980 -11.204 1.00 0.93 C ATOM 1275 CE LYS A 116 4.385 -5.561 -11.151 1.00 1.06 C ATOM 1276 NZ LYS A 116 4.627 -4.822 -12.422 1.00 1.32 N ATOM 0 H LYS A 116 1.828 -8.614 -7.804 1.00 0.65 H new ATOM 0 HA LYS A 116 2.372 -8.308 -10.569 1.00 0.73 H new ATOM 0 HB2 LYS A 116 3.290 -6.747 -9.020 1.00 0.72 H new ATOM 0 HB3 LYS A 116 3.991 -8.010 -8.028 1.00 0.72 H new ATOM 0 HG2 LYS A 116 5.777 -6.956 -9.232 1.00 0.95 H new ATOM 0 HG3 LYS A 116 5.564 -8.562 -9.901 1.00 0.95 H new ATOM 0 HD2 LYS A 116 5.898 -6.977 -11.714 1.00 0.93 H new ATOM 0 HD3 LYS A 116 4.264 -7.606 -11.793 1.00 0.93 H new ATOM 0 HE2 LYS A 116 3.314 -5.594 -10.949 1.00 1.06 H new ATOM 0 HE3 LYS A 116 4.849 -5.023 -10.325 1.00 1.06 H new ATOM 0 HZ1 LYS A 116 3.826 -4.186 -12.612 1.00 1.32 H new ATOM 0 HZ2 LYS A 116 5.500 -4.263 -12.338 1.00 1.32 H new ATOM 0 HZ3 LYS A 116 4.724 -5.500 -13.205 1.00 1.32 H new ATOM 1290 N LEU A 117 3.889 -10.778 -8.982 1.00 0.67 N ATOM 1291 CA LEU A 117 4.600 -12.038 -9.156 1.00 0.74 C ATOM 1292 C LEU A 117 3.685 -13.100 -9.757 1.00 0.78 C ATOM 1293 O LEU A 117 4.148 -14.134 -10.235 1.00 0.85 O ATOM 1294 CB LEU A 117 5.161 -12.519 -7.818 1.00 0.74 C ATOM 1295 CG LEU A 117 6.133 -11.549 -7.140 1.00 0.79 C ATOM 1296 CD1 LEU A 117 6.549 -12.077 -5.777 1.00 0.90 C ATOM 1297 CD2 LEU A 117 7.358 -11.318 -8.015 1.00 0.96 C ATOM 0 H LEU A 117 3.701 -10.534 -8.010 1.00 0.67 H new ATOM 0 HA LEU A 117 5.427 -11.870 -9.846 1.00 0.74 H new ATOM 0 HB2 LEU A 117 4.329 -12.710 -7.140 1.00 0.74 H new ATOM 0 HB3 LEU A 117 5.670 -13.470 -7.975 1.00 0.74 H new ATOM 0 HG LEU A 117 5.623 -10.596 -7.002 1.00 0.79 H new ATOM 0 HD11 LEU A 117 7.240 -11.375 -5.310 1.00 0.90 H new ATOM 0 HD12 LEU A 117 5.667 -12.192 -5.147 1.00 0.90 H new ATOM 0 HD13 LEU A 117 7.039 -13.043 -5.895 1.00 0.90 H new ATOM 0 HD21 LEU A 117 8.036 -10.626 -7.516 1.00 0.96 H new ATOM 0 HD22 LEU A 117 7.868 -12.266 -8.185 1.00 0.96 H new ATOM 0 HD23 LEU A 117 7.048 -10.896 -8.971 1.00 0.96 H new ATOM 1309 N GLU A 118 2.385 -12.840 -9.729 1.00 0.78 N ATOM 1310 CA GLU A 118 1.416 -13.725 -10.359 1.00 0.90 C ATOM 1311 C GLU A 118 1.528 -13.616 -11.881 1.00 1.00 C ATOM 1312 O GLU A 118 1.039 -14.470 -12.616 1.00 1.17 O ATOM 1313 CB GLU A 118 -0.007 -13.376 -9.901 1.00 0.95 C ATOM 1314 CG GLU A 118 -1.074 -14.349 -10.395 1.00 1.31 C ATOM 1315 CD GLU A 118 -0.902 -15.759 -9.854 1.00 1.52 C ATOM 1316 OE1 GLU A 118 0.020 -16.468 -10.307 1.00 2.18 O ATOM 1317 OE2 GLU A 118 -1.673 -16.162 -8.958 1.00 1.90 O ATOM 0 H GLU A 118 1.977 -12.022 -9.276 1.00 0.78 H new ATOM 0 HA GLU A 118 1.629 -14.751 -10.060 1.00 0.90 H new ATOM 0 HB2 GLU A 118 -0.031 -13.349 -8.812 1.00 0.95 H new ATOM 0 HB3 GLU A 118 -0.254 -12.373 -10.250 1.00 0.95 H new ATOM 0 HG2 GLU A 118 -2.057 -13.975 -10.108 1.00 1.31 H new ATOM 0 HG3 GLU A 118 -1.050 -14.380 -11.484 1.00 1.31 H new ATOM 1324 N GLY A 119 2.182 -12.557 -12.342 1.00 0.95 N ATOM 1325 CA GLY A 119 2.362 -12.354 -13.767 1.00 1.06 C ATOM 1326 C GLY A 119 1.343 -11.383 -14.311 1.00 1.06 C ATOM 1327 O GLY A 119 1.010 -11.405 -15.494 1.00 1.16 O ATOM 0 H GLY A 119 2.592 -11.833 -11.752 1.00 0.95 H new ATOM 0 HA2 GLY A 119 3.367 -11.977 -13.960 1.00 1.06 H new ATOM 0 HA3 GLY A 119 2.274 -13.308 -14.287 1.00 1.06 H new ATOM 1331 N HIS A 120 0.833 -10.543 -13.429 1.00 0.96 N ATOM 1332 CA HIS A 120 -0.194 -9.585 -13.786 1.00 0.97 C ATOM 1333 C HIS A 120 0.301 -8.158 -13.584 1.00 0.94 C ATOM 1334 O HIS A 120 0.684 -7.767 -12.480 1.00 0.95 O ATOM 1335 CB HIS A 120 -1.456 -9.866 -12.963 1.00 0.94 C ATOM 1336 CG HIS A 120 -2.359 -8.686 -12.766 1.00 1.40 C ATOM 1337 ND1 HIS A 120 -2.524 -7.882 -11.692 1.00 1.80 N flip ATOM 1338 CD2 HIS A 120 -3.225 -8.218 -13.727 1.00 1.83 C flip ATOM 1339 CE1 HIS A 120 -3.477 -6.949 -12.021 1.00 2.36 C flip ATOM 1340 NE2 HIS A 120 -3.883 -7.178 -13.257 1.00 2.42 N flip ATOM 0 H HIS A 120 1.118 -10.506 -12.450 1.00 0.96 H new ATOM 0 HA HIS A 120 -0.437 -9.691 -14.843 1.00 0.97 H new ATOM 0 HB2 HIS A 120 -2.021 -10.660 -13.452 1.00 0.94 H new ATOM 0 HB3 HIS A 120 -1.157 -10.243 -11.985 1.00 0.94 H new ATOM 0 HD2 HIS A 120 -3.347 -8.638 -14.714 1.00 1.83 H new ATOM 0 HE1 HIS A 120 -3.835 -6.160 -11.376 1.00 2.36 H new ATOM 0 HE2 HIS A 120 -4.587 -6.640 -13.762 1.00 2.42 H new ATOM 1349 N GLU A 121 0.280 -7.395 -14.660 1.00 1.03 N ATOM 1350 CA GLU A 121 0.671 -5.999 -14.614 1.00 1.05 C ATOM 1351 C GLU A 121 -0.487 -5.132 -14.158 1.00 0.98 C ATOM 1352 O GLU A 121 -1.550 -5.112 -14.784 1.00 1.14 O ATOM 1353 CB GLU A 121 1.156 -5.528 -15.985 1.00 1.25 C ATOM 1354 CG GLU A 121 2.565 -5.977 -16.321 1.00 1.61 C ATOM 1355 CD GLU A 121 3.574 -5.455 -15.322 1.00 1.79 C ATOM 1356 OE1 GLU A 121 3.830 -4.236 -15.312 1.00 1.77 O ATOM 1357 OE2 GLU A 121 4.126 -6.262 -14.547 1.00 2.53 O ATOM 0 H GLU A 121 -0.006 -7.721 -15.583 1.00 1.03 H new ATOM 0 HA GLU A 121 1.487 -5.905 -13.898 1.00 1.05 H new ATOM 0 HB2 GLU A 121 0.474 -5.900 -16.749 1.00 1.25 H new ATOM 0 HB3 GLU A 121 1.113 -4.439 -16.022 1.00 1.25 H new ATOM 0 HG2 GLU A 121 2.604 -7.066 -16.342 1.00 1.61 H new ATOM 0 HG3 GLU A 121 2.829 -5.629 -17.320 1.00 1.61 H new ATOM 1364 N LEU A 122 -0.286 -4.437 -13.052 1.00 0.90 N ATOM 1365 CA LEU A 122 -1.251 -3.459 -12.594 1.00 0.87 C ATOM 1366 C LEU A 122 -1.089 -2.180 -13.411 1.00 0.93 C ATOM 1367 O LEU A 122 0.035 -1.770 -13.705 1.00 1.02 O ATOM 1368 CB LEU A 122 -1.089 -3.166 -11.090 1.00 0.89 C ATOM 1369 CG LEU A 122 0.290 -2.662 -10.641 1.00 1.05 C ATOM 1370 CD1 LEU A 122 0.168 -1.917 -9.324 1.00 1.33 C ATOM 1371 CD2 LEU A 122 1.266 -3.818 -10.485 1.00 1.16 C ATOM 0 H LEU A 122 0.537 -4.533 -12.457 1.00 0.90 H new ATOM 0 HA LEU A 122 -2.254 -3.862 -12.736 1.00 0.87 H new ATOM 0 HB2 LEU A 122 -1.835 -2.424 -10.803 1.00 0.89 H new ATOM 0 HB3 LEU A 122 -1.317 -4.077 -10.537 1.00 0.89 H new ATOM 0 HG LEU A 122 0.671 -1.987 -11.407 1.00 1.05 H new ATOM 0 HD11 LEU A 122 1.151 -1.563 -9.014 1.00 1.33 H new ATOM 0 HD12 LEU A 122 -0.501 -1.066 -9.448 1.00 1.33 H new ATOM 0 HD13 LEU A 122 -0.234 -2.586 -8.563 1.00 1.33 H new ATOM 0 HD21 LEU A 122 2.236 -3.435 -10.166 1.00 1.16 H new ATOM 0 HD22 LEU A 122 0.888 -4.515 -9.737 1.00 1.16 H new ATOM 0 HD23 LEU A 122 1.375 -4.333 -11.439 1.00 1.16 H new ATOM 1383 N PRO A 123 -2.207 -1.537 -13.793 1.00 0.97 N ATOM 1384 CA PRO A 123 -2.196 -0.344 -14.652 1.00 1.06 C ATOM 1385 C PRO A 123 -1.697 0.903 -13.926 1.00 1.07 C ATOM 1386 O PRO A 123 -1.804 2.012 -14.448 1.00 1.18 O ATOM 1387 CB PRO A 123 -3.670 -0.168 -15.059 1.00 1.18 C ATOM 1388 CG PRO A 123 -4.375 -1.397 -14.587 1.00 1.33 C ATOM 1389 CD PRO A 123 -3.575 -1.923 -13.433 1.00 1.02 C ATOM 0 HA PRO A 123 -1.518 -0.471 -15.496 1.00 1.06 H new ATOM 0 HB2 PRO A 123 -4.097 0.726 -14.604 1.00 1.18 H new ATOM 0 HB3 PRO A 123 -3.766 -0.053 -16.139 1.00 1.18 H new ATOM 0 HG2 PRO A 123 -5.395 -1.167 -14.280 1.00 1.33 H new ATOM 0 HG3 PRO A 123 -4.441 -2.138 -15.384 1.00 1.33 H new ATOM 0 HD2 PRO A 123 -3.886 -1.479 -12.487 1.00 1.02 H new ATOM 0 HD3 PRO A 123 -3.677 -3.003 -13.327 1.00 1.02 H new ATOM 1397 N ALA A 124 -1.157 0.708 -12.722 1.00 1.00 N ATOM 1398 CA ALA A 124 -0.640 1.800 -11.904 1.00 1.07 C ATOM 1399 C ALA A 124 -1.735 2.823 -11.603 1.00 1.11 C ATOM 1400 O ALA A 124 -1.461 4.009 -11.415 1.00 1.25 O ATOM 1401 CB ALA A 124 0.554 2.457 -12.590 1.00 1.23 C ATOM 0 H ALA A 124 -1.067 -0.211 -12.289 1.00 1.00 H new ATOM 0 HA ALA A 124 -0.303 1.389 -10.953 1.00 1.07 H new ATOM 0 HB1 ALA A 124 0.929 3.270 -11.968 1.00 1.23 H new ATOM 0 HB2 ALA A 124 1.342 1.718 -12.735 1.00 1.23 H new ATOM 0 HB3 ALA A 124 0.245 2.853 -13.557 1.00 1.23 H new ATOM 1407 N ASP A 125 -2.970 2.345 -11.539 1.00 1.06 N ATOM 1408 CA ASP A 125 -4.121 3.198 -11.267 1.00 1.15 C ATOM 1409 C ASP A 125 -4.995 2.562 -10.194 1.00 1.07 C ATOM 1410 O ASP A 125 -4.945 1.346 -9.991 1.00 1.04 O ATOM 1411 CB ASP A 125 -4.923 3.428 -12.553 1.00 1.24 C ATOM 1412 CG ASP A 125 -6.116 4.343 -12.346 1.00 1.94 C ATOM 1413 OD1 ASP A 125 -5.913 5.526 -11.999 1.00 2.11 O ATOM 1414 OD2 ASP A 125 -7.262 3.877 -12.515 1.00 2.73 O ATOM 0 H ASP A 125 -3.203 1.361 -11.673 1.00 1.06 H new ATOM 0 HA ASP A 125 -3.772 4.164 -10.903 1.00 1.15 H new ATOM 0 HB2 ASP A 125 -4.269 3.857 -13.312 1.00 1.24 H new ATOM 0 HB3 ASP A 125 -5.269 2.468 -12.937 1.00 1.24 H new ATOM 1419 N LEU A 126 -5.785 3.375 -9.505 1.00 1.07 N ATOM 1420 CA LEU A 126 -6.597 2.891 -8.395 1.00 1.02 C ATOM 1421 C LEU A 126 -8.086 2.902 -8.727 1.00 1.10 C ATOM 1422 O LEU A 126 -8.722 3.959 -8.729 1.00 1.20 O ATOM 1423 CB LEU A 126 -6.356 3.735 -7.144 1.00 1.00 C ATOM 1424 CG LEU A 126 -4.976 3.578 -6.507 1.00 0.91 C ATOM 1425 CD1 LEU A 126 -4.827 4.523 -5.325 1.00 1.17 C ATOM 1426 CD2 LEU A 126 -4.755 2.137 -6.072 1.00 1.66 C ATOM 0 H LEU A 126 -5.881 4.373 -9.695 1.00 1.07 H new ATOM 0 HA LEU A 126 -6.295 1.860 -8.210 1.00 1.02 H new ATOM 0 HB2 LEU A 126 -6.503 4.784 -7.400 1.00 1.00 H new ATOM 0 HB3 LEU A 126 -7.112 3.479 -6.402 1.00 1.00 H new ATOM 0 HG LEU A 126 -4.219 3.834 -7.248 1.00 0.91 H new ATOM 0 HD11 LEU A 126 -3.839 4.399 -4.882 1.00 1.17 H new ATOM 0 HD12 LEU A 126 -4.946 5.552 -5.665 1.00 1.17 H new ATOM 0 HD13 LEU A 126 -5.589 4.296 -4.580 1.00 1.17 H new ATOM 0 HD21 LEU A 126 -3.768 2.041 -5.620 1.00 1.66 H new ATOM 0 HD22 LEU A 126 -5.516 1.856 -5.344 1.00 1.66 H new ATOM 0 HD23 LEU A 126 -4.822 1.481 -6.940 1.00 1.66 H new ATOM 1438 N PRO A 127 -8.652 1.723 -9.020 1.00 1.08 N ATOM 1439 CA PRO A 127 -10.097 1.554 -9.174 1.00 1.16 C ATOM 1440 C PRO A 127 -10.808 1.637 -7.822 1.00 1.08 C ATOM 1441 O PRO A 127 -10.175 1.473 -6.775 1.00 0.96 O ATOM 1442 CB PRO A 127 -10.231 0.148 -9.761 1.00 1.17 C ATOM 1443 CG PRO A 127 -9.013 -0.570 -9.303 1.00 1.11 C ATOM 1444 CD PRO A 127 -7.923 0.466 -9.240 1.00 1.03 C ATOM 0 HA PRO A 127 -10.546 2.327 -9.798 1.00 1.16 H new ATOM 0 HB2 PRO A 127 -11.137 -0.344 -9.407 1.00 1.17 H new ATOM 0 HB3 PRO A 127 -10.288 0.177 -10.849 1.00 1.17 H new ATOM 0 HG2 PRO A 127 -9.173 -1.028 -8.327 1.00 1.11 H new ATOM 0 HG3 PRO A 127 -8.750 -1.372 -9.992 1.00 1.11 H new ATOM 0 HD2 PRO A 127 -7.223 0.262 -8.430 1.00 1.03 H new ATOM 0 HD3 PRO A 127 -7.344 0.495 -10.163 1.00 1.03 H new ATOM 1452 N PRO A 128 -12.132 1.882 -7.826 1.00 1.19 N ATOM 1453 CA PRO A 128 -12.923 2.057 -6.596 1.00 1.21 C ATOM 1454 C PRO A 128 -12.718 0.944 -5.565 1.00 1.10 C ATOM 1455 O PRO A 128 -12.619 1.210 -4.367 1.00 1.18 O ATOM 1456 CB PRO A 128 -14.367 2.055 -7.104 1.00 1.37 C ATOM 1457 CG PRO A 128 -14.274 2.544 -8.507 1.00 1.54 C ATOM 1458 CD PRO A 128 -12.964 2.036 -9.039 1.00 1.37 C ATOM 0 HA PRO A 128 -12.631 2.964 -6.067 1.00 1.21 H new ATOM 0 HB2 PRO A 128 -14.801 1.056 -7.061 1.00 1.37 H new ATOM 0 HB3 PRO A 128 -15.001 2.704 -6.499 1.00 1.37 H new ATOM 0 HG2 PRO A 128 -15.107 2.174 -9.105 1.00 1.54 H new ATOM 0 HG3 PRO A 128 -14.314 3.633 -8.544 1.00 1.54 H new ATOM 0 HD2 PRO A 128 -13.085 1.089 -9.565 1.00 1.37 H new ATOM 0 HD3 PRO A 128 -12.519 2.738 -9.744 1.00 1.37 H new ATOM 1466 N HIS A 129 -12.631 -0.298 -6.030 1.00 1.01 N ATOM 1467 CA HIS A 129 -12.557 -1.446 -5.123 1.00 0.97 C ATOM 1468 C HIS A 129 -11.143 -1.685 -4.580 1.00 0.84 C ATOM 1469 O HIS A 129 -10.865 -2.750 -4.028 1.00 0.85 O ATOM 1470 CB HIS A 129 -13.090 -2.720 -5.802 1.00 1.00 C ATOM 1471 CG HIS A 129 -12.330 -3.164 -7.022 1.00 0.91 C ATOM 1472 ND1 HIS A 129 -12.739 -2.875 -8.305 1.00 1.07 N ATOM 1473 CD2 HIS A 129 -11.205 -3.910 -7.152 1.00 0.84 C ATOM 1474 CE1 HIS A 129 -11.902 -3.420 -9.165 1.00 1.02 C ATOM 1475 NE2 HIS A 129 -10.960 -4.055 -8.496 1.00 0.89 N ATOM 0 H HIS A 129 -12.610 -0.538 -7.021 1.00 1.01 H new ATOM 0 HA HIS A 129 -13.191 -1.204 -4.270 1.00 0.97 H new ATOM 0 HB2 HIS A 129 -13.081 -3.531 -5.074 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -14.130 -2.554 -6.082 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -10.611 -4.316 -6.347 1.00 0.84 H new ATOM 0 HE1 HIS A 129 -11.976 -3.357 -10.241 1.00 1.02 H new ATOM 0 HE2 HIS A 129 -10.180 -4.568 -8.907 1.00 0.89 H new ATOM 1484 N LEU A 130 -10.254 -0.710 -4.728 1.00 0.79 N ATOM 1485 CA LEU A 130 -8.923 -0.816 -4.137 1.00 0.70 C ATOM 1486 C LEU A 130 -8.721 0.232 -3.052 1.00 0.65 C ATOM 1487 O LEU A 130 -7.648 0.317 -2.455 1.00 0.61 O ATOM 1488 CB LEU A 130 -7.819 -0.681 -5.191 1.00 0.73 C ATOM 1489 CG LEU A 130 -7.616 -1.896 -6.102 1.00 0.84 C ATOM 1490 CD1 LEU A 130 -6.283 -1.795 -6.829 1.00 1.36 C ATOM 1491 CD2 LEU A 130 -7.675 -3.184 -5.301 1.00 1.29 C ATOM 0 H LEU A 130 -10.426 0.153 -5.245 1.00 0.79 H new ATOM 0 HA LEU A 130 -8.855 -1.809 -3.693 1.00 0.70 H new ATOM 0 HB2 LEU A 130 -8.042 0.184 -5.815 1.00 0.73 H new ATOM 0 HB3 LEU A 130 -6.879 -0.472 -4.681 1.00 0.73 H new ATOM 0 HG LEU A 130 -8.420 -1.908 -6.838 1.00 0.84 H new ATOM 0 HD11 LEU A 130 -6.153 -2.665 -7.472 1.00 1.36 H new ATOM 0 HD12 LEU A 130 -6.267 -0.889 -7.436 1.00 1.36 H new ATOM 0 HD13 LEU A 130 -5.473 -1.758 -6.100 1.00 1.36 H new ATOM 0 HD21 LEU A 130 -7.528 -4.034 -5.967 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -6.891 -3.178 -4.543 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -8.648 -3.267 -4.816 1.00 1.29 H new ATOM 1503 N VAL A 131 -9.758 1.011 -2.788 1.00 0.71 N ATOM 1504 CA VAL A 131 -9.678 2.072 -1.795 1.00 0.71 C ATOM 1505 C VAL A 131 -9.943 1.517 -0.397 1.00 0.69 C ATOM 1506 O VAL A 131 -10.999 0.936 -0.145 1.00 0.76 O ATOM 1507 CB VAL A 131 -10.680 3.206 -2.095 1.00 0.76 C ATOM 1508 CG1 VAL A 131 -10.529 4.347 -1.100 1.00 1.19 C ATOM 1509 CG2 VAL A 131 -10.507 3.713 -3.518 1.00 1.28 C ATOM 0 H VAL A 131 -10.665 0.929 -3.247 1.00 0.71 H new ATOM 0 HA VAL A 131 -8.669 2.483 -1.839 1.00 0.71 H new ATOM 0 HB VAL A 131 -11.686 2.800 -1.993 1.00 0.76 H new ATOM 0 HG11 VAL A 131 -11.247 5.132 -1.335 1.00 1.19 H new ATOM 0 HG12 VAL A 131 -10.713 3.977 -0.091 1.00 1.19 H new ATOM 0 HG13 VAL A 131 -9.518 4.750 -1.160 1.00 1.19 H new ATOM 0 HG21 VAL A 131 -11.223 4.512 -3.709 1.00 1.28 H new ATOM 0 HG22 VAL A 131 -9.494 4.094 -3.648 1.00 1.28 H new ATOM 0 HG23 VAL A 131 -10.680 2.896 -4.219 1.00 1.28 H new ATOM 1519 N PRO A 132 -8.972 1.683 0.522 1.00 0.62 N ATOM 1520 CA PRO A 132 -9.086 1.202 1.905 1.00 0.65 C ATOM 1521 C PRO A 132 -10.315 1.760 2.628 1.00 0.77 C ATOM 1522 O PRO A 132 -10.683 2.921 2.444 1.00 0.81 O ATOM 1523 CB PRO A 132 -7.802 1.713 2.571 1.00 0.64 C ATOM 1524 CG PRO A 132 -6.846 1.930 1.448 1.00 0.64 C ATOM 1525 CD PRO A 132 -7.682 2.349 0.274 1.00 0.57 C ATOM 0 HA PRO A 132 -9.204 0.119 1.942 1.00 0.65 H new ATOM 0 HB2 PRO A 132 -7.983 2.637 3.120 1.00 0.64 H new ATOM 0 HB3 PRO A 132 -7.413 0.988 3.286 1.00 0.64 H new ATOM 0 HG2 PRO A 132 -6.114 2.697 1.700 1.00 0.64 H new ATOM 0 HG3 PRO A 132 -6.290 1.019 1.227 1.00 0.64 H new ATOM 0 HD2 PRO A 132 -7.792 3.432 0.224 1.00 0.57 H new ATOM 0 HD3 PRO A 132 -7.239 2.030 -0.670 1.00 0.57 H new ATOM 1533 N PRO A 133 -10.952 0.931 3.470 1.00 0.88 N ATOM 1534 CA PRO A 133 -12.185 1.285 4.187 1.00 1.03 C ATOM 1535 C PRO A 133 -12.063 2.561 5.024 1.00 1.04 C ATOM 1536 O PRO A 133 -13.011 3.342 5.121 1.00 1.13 O ATOM 1537 CB PRO A 133 -12.442 0.076 5.102 1.00 1.17 C ATOM 1538 CG PRO A 133 -11.163 -0.689 5.111 1.00 1.03 C ATOM 1539 CD PRO A 133 -10.533 -0.442 3.776 1.00 0.93 C ATOM 0 HA PRO A 133 -12.992 1.493 3.485 1.00 1.03 H new ATOM 0 HB2 PRO A 133 -12.717 0.395 6.107 1.00 1.17 H new ATOM 0 HB3 PRO A 133 -13.263 -0.535 4.726 1.00 1.17 H new ATOM 0 HG2 PRO A 133 -10.512 -0.354 5.919 1.00 1.03 H new ATOM 0 HG3 PRO A 133 -11.344 -1.752 5.268 1.00 1.03 H new ATOM 0 HD2 PRO A 133 -9.448 -0.534 3.817 1.00 0.93 H new ATOM 0 HD3 PRO A 133 -10.885 -1.150 3.025 1.00 0.93 H new ATOM 1547 N SER A 134 -10.900 2.777 5.617 1.00 1.02 N ATOM 1548 CA SER A 134 -10.690 3.939 6.467 1.00 1.09 C ATOM 1549 C SER A 134 -10.320 5.164 5.633 1.00 1.09 C ATOM 1550 O SER A 134 -10.276 6.287 6.139 1.00 1.22 O ATOM 1551 CB SER A 134 -9.577 3.647 7.469 1.00 1.14 C ATOM 1552 OG SER A 134 -9.731 2.357 8.037 1.00 1.60 O ATOM 0 H SER A 134 -10.089 2.165 5.526 1.00 1.02 H new ATOM 0 HA SER A 134 -11.618 4.150 6.998 1.00 1.09 H new ATOM 0 HB2 SER A 134 -8.609 3.717 6.973 1.00 1.14 H new ATOM 0 HB3 SER A 134 -9.586 4.399 8.258 1.00 1.14 H new ATOM 0 HG SER A 134 -8.969 1.795 7.784 1.00 1.60 H new ATOM 1558 N LYS A 135 -10.060 4.940 4.354 1.00 0.99 N ATOM 1559 CA LYS A 135 -9.569 5.988 3.475 1.00 1.02 C ATOM 1560 C LYS A 135 -10.537 6.225 2.319 1.00 1.11 C ATOM 1561 O LYS A 135 -10.180 6.825 1.308 1.00 1.21 O ATOM 1562 CB LYS A 135 -8.179 5.607 2.952 1.00 0.89 C ATOM 1563 CG LYS A 135 -7.111 5.572 4.037 1.00 0.90 C ATOM 1564 CD LYS A 135 -5.849 4.883 3.549 1.00 0.67 C ATOM 1565 CE LYS A 135 -4.694 5.041 4.529 1.00 0.66 C ATOM 1566 NZ LYS A 135 -5.005 4.530 5.894 1.00 1.15 N ATOM 0 H LYS A 135 -10.182 4.035 3.900 1.00 0.99 H new ATOM 0 HA LYS A 135 -9.494 6.918 4.039 1.00 1.02 H new ATOM 0 HB2 LYS A 135 -8.234 4.628 2.476 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -7.881 6.319 2.183 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -6.874 6.589 4.350 1.00 0.90 H new ATOM 0 HG3 LYS A 135 -7.497 5.050 4.913 1.00 0.90 H new ATOM 0 HD2 LYS A 135 -6.051 3.823 3.396 1.00 0.67 H new ATOM 0 HD3 LYS A 135 -5.562 5.296 2.582 1.00 0.67 H new ATOM 0 HE2 LYS A 135 -3.823 4.514 4.141 1.00 0.66 H new ATOM 0 HE3 LYS A 135 -4.425 6.095 4.596 1.00 0.66 H new ATOM 0 HZ1 LYS A 135 -4.142 4.541 6.474 1.00 1.15 H new ATOM 0 HZ2 LYS A 135 -5.726 5.136 6.335 1.00 1.15 H new ATOM 0 HZ3 LYS A 135 -5.365 3.556 5.827 1.00 1.15 H new ATOM 1760 N GLY B 149 8.348 9.728 -2.516 1.00 0.48 N ATOM 1761 CA GLY B 149 8.539 8.607 -1.623 1.00 0.35 C ATOM 1762 C GLY B 149 9.983 8.156 -1.585 1.00 0.33 C ATOM 1763 O GLY B 149 10.828 8.730 -2.270 1.00 0.39 O ATOM 0 HA2 GLY B 149 8.219 8.884 -0.619 1.00 0.35 H new ATOM 0 HA3 GLY B 149 7.908 7.777 -1.941 1.00 0.35 H new ATOM 1767 N PRO B 150 10.296 7.109 -0.814 1.00 0.28 N ATOM 1768 CA PRO B 150 11.674 6.625 -0.639 1.00 0.29 C ATOM 1769 C PRO B 150 12.205 5.863 -1.859 1.00 0.30 C ATOM 1770 O PRO B 150 13.361 5.433 -1.888 1.00 0.33 O ATOM 1771 CB PRO B 150 11.553 5.695 0.571 1.00 0.29 C ATOM 1772 CG PRO B 150 10.156 5.182 0.510 1.00 0.26 C ATOM 1773 CD PRO B 150 9.325 6.312 -0.038 1.00 0.26 C ATOM 0 HA PRO B 150 12.381 7.444 -0.508 1.00 0.29 H new ATOM 0 HB2 PRO B 150 12.277 4.882 0.520 1.00 0.29 H new ATOM 0 HB3 PRO B 150 11.739 6.230 1.502 1.00 0.29 H new ATOM 0 HG2 PRO B 150 10.090 4.303 -0.131 1.00 0.26 H new ATOM 0 HG3 PRO B 150 9.806 4.883 1.498 1.00 0.26 H new ATOM 0 HD2 PRO B 150 8.513 5.945 -0.666 1.00 0.26 H new ATOM 0 HD3 PRO B 150 8.870 6.899 0.760 1.00 0.26 H new ATOM 1781 N PHE B 151 11.362 5.706 -2.870 1.00 0.31 N ATOM 1782 CA PHE B 151 11.709 4.897 -4.031 1.00 0.36 C ATOM 1783 C PHE B 151 12.302 5.737 -5.161 1.00 0.51 C ATOM 1784 O PHE B 151 12.885 5.193 -6.097 1.00 0.75 O ATOM 1785 CB PHE B 151 10.477 4.142 -4.530 1.00 0.34 C ATOM 1786 CG PHE B 151 9.956 3.143 -3.545 1.00 0.29 C ATOM 1787 CD1 PHE B 151 10.794 2.204 -2.963 1.00 0.32 C ATOM 1788 CD2 PHE B 151 8.621 3.152 -3.194 1.00 0.34 C ATOM 1789 CE1 PHE B 151 10.301 1.294 -2.052 1.00 0.39 C ATOM 1790 CE2 PHE B 151 8.124 2.247 -2.284 1.00 0.40 C ATOM 1791 CZ PHE B 151 9.016 1.270 -1.730 1.00 0.41 C ATOM 0 H PHE B 151 10.434 6.127 -2.910 1.00 0.31 H new ATOM 0 HA PHE B 151 12.473 4.185 -3.718 1.00 0.36 H new ATOM 0 HB2 PHE B 151 9.689 4.859 -4.761 1.00 0.34 H new ATOM 0 HB3 PHE B 151 10.725 3.630 -5.460 1.00 0.34 H new ATOM 0 HD1 PHE B 151 11.841 2.185 -3.225 1.00 0.32 H new ATOM 0 HD2 PHE B 151 7.958 3.879 -3.639 1.00 0.34 H new ATOM 0 HE1 PHE B 151 10.975 0.587 -1.592 1.00 0.39 H new ATOM 0 HE2 PHE B 151 7.084 2.272 -1.993 1.00 0.40 H new ATOM 0 HZ PHE B 151 8.641 0.517 -1.052 1.00 0.41 H new