USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 THR OG1 : rot 180:sc= 0.164 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.168 X(o=0.33,f=0.0041) USER MOD Set 2.1: A 53 TYR OH : rot 85:sc= 1.71 USER MOD Set 2.2: A 111 HIS : no HE2:sc= 0.282 K(o=2,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00305) USER MOD Single : A 50 LYS NZ :NH3+ -107:sc= 1.04 (180deg=0.83) USER MOD Single : A 52 THR OG1 : rot 135:sc= 1.25 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 10:sc= 0.915 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0953 K(o=-0.095,f=-1.4!) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 2.01 (180deg=1.63) 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 131:sc= -0.331 (180deg=-2.38) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 67:sc= 0.564 USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 1.16 (180deg=0.746) USER MOD Single : A 83 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1.7!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 88 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.04) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -0.0144 (180deg=-0.203) USER MOD Single : A 110 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2.1!) USER MOD Single : A 114 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.968) USER MOD Single : A 116 LYS NZ :NH3+ -178:sc= 0.00268 (180deg=0.00248) USER MOD Single : A 120 HIS : no HE2:sc= 0.343 K(o=0.34,f=-3.3!) USER MOD Single : A 129 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.014) USER MOD Single : B 148 TYR OH : rot 180:sc= 0 USER MOD Single : B 149 ASN : amide:sc= -3.63! C(o=-3.6!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -14.242 -2.964 -0.226 1.00 0.85 N ATOM 117 CA TRP A 44 -12.815 -2.733 -0.370 1.00 0.73 C ATOM 118 C TRP A 44 -12.224 -3.860 -1.216 1.00 0.63 C ATOM 119 O TRP A 44 -12.026 -4.971 -0.730 1.00 0.64 O ATOM 120 CB TRP A 44 -12.153 -2.672 1.013 1.00 0.78 C ATOM 121 CG TRP A 44 -10.735 -2.182 0.999 1.00 0.67 C ATOM 122 CD1 TRP A 44 -10.286 -0.999 0.492 1.00 0.70 C ATOM 123 CD2 TRP A 44 -9.590 -2.846 1.545 1.00 0.61 C ATOM 124 NE1 TRP A 44 -8.931 -0.890 0.681 1.00 0.66 N ATOM 125 CE2 TRP A 44 -8.481 -2.008 1.327 1.00 0.60 C ATOM 126 CE3 TRP A 44 -9.391 -4.061 2.200 1.00 0.64 C ATOM 127 CZ2 TRP A 44 -7.196 -2.353 1.735 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -8.116 -4.401 2.604 1.00 0.67 C ATOM 129 CH2 TRP A 44 -7.034 -3.551 2.373 1.00 0.67 C ATOM 0 HA TRP A 44 -12.632 -1.780 -0.867 1.00 0.73 H new ATOM 0 HB2 TRP A 44 -12.744 -2.020 1.657 1.00 0.78 H new ATOM 0 HB3 TRP A 44 -12.177 -3.667 1.458 1.00 0.78 H new ATOM 0 HD1 TRP A 44 -10.906 -0.256 0.012 1.00 0.70 H new ATOM 0 HE1 TRP A 44 -8.353 -0.102 0.387 1.00 0.66 H new ATOM 0 HE3 TRP A 44 -10.222 -4.725 2.388 1.00 0.64 H new ATOM 0 HZ2 TRP A 44 -6.357 -1.698 1.554 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -7.953 -5.342 3.108 1.00 0.67 H new ATOM 0 HH2 TRP A 44 -6.049 -3.845 2.705 1.00 0.67 H new ATOM 140 N VAL A 45 -11.976 -3.552 -2.491 1.00 0.62 N ATOM 141 CA VAL A 45 -11.577 -4.543 -3.505 1.00 0.60 C ATOM 142 C VAL A 45 -10.443 -5.449 -3.034 1.00 0.54 C ATOM 143 O VAL A 45 -10.387 -6.627 -3.386 1.00 0.62 O ATOM 144 CB VAL A 45 -11.148 -3.839 -4.815 1.00 0.73 C ATOM 145 CG1 VAL A 45 -10.654 -4.841 -5.852 1.00 1.24 C ATOM 146 CG2 VAL A 45 -12.300 -3.021 -5.376 1.00 1.09 C ATOM 0 H VAL A 45 -12.046 -2.602 -2.856 1.00 0.62 H new ATOM 0 HA VAL A 45 -12.453 -5.167 -3.681 1.00 0.60 H new ATOM 0 HB VAL A 45 -10.320 -3.170 -4.579 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -10.361 -4.312 -6.759 1.00 1.24 H new ATOM 0 HG12 VAL A 45 -9.795 -5.382 -5.455 1.00 1.24 H new ATOM 0 HG13 VAL A 45 -11.452 -5.546 -6.085 1.00 1.24 H new ATOM 0 HG21 VAL A 45 -11.984 -2.531 -6.297 1.00 1.09 H new ATOM 0 HG22 VAL A 45 -13.144 -3.678 -5.585 1.00 1.09 H new ATOM 0 HG23 VAL A 45 -12.599 -2.266 -4.648 1.00 1.09 H new ATOM 156 N VAL A 46 -9.557 -4.902 -2.228 1.00 0.52 N ATOM 157 CA VAL A 46 -8.382 -5.630 -1.780 1.00 0.53 C ATOM 158 C VAL A 46 -8.753 -6.788 -0.854 1.00 0.52 C ATOM 159 O VAL A 46 -8.008 -7.762 -0.737 1.00 0.51 O ATOM 160 CB VAL A 46 -7.399 -4.676 -1.085 1.00 0.63 C ATOM 161 CG1 VAL A 46 -6.160 -5.407 -0.615 1.00 1.25 C ATOM 162 CG2 VAL A 46 -7.020 -3.541 -2.015 1.00 1.30 C ATOM 0 H VAL A 46 -9.627 -3.951 -1.867 1.00 0.52 H new ATOM 0 HA VAL A 46 -7.900 -6.057 -2.659 1.00 0.53 H new ATOM 0 HB VAL A 46 -7.897 -4.264 -0.208 1.00 0.63 H new ATOM 0 HG11 VAL A 46 -5.485 -4.703 -0.128 1.00 1.25 H new ATOM 0 HG12 VAL A 46 -6.444 -6.187 0.092 1.00 1.25 H new ATOM 0 HG13 VAL A 46 -5.657 -5.858 -1.470 1.00 1.25 H new ATOM 0 HG21 VAL A 46 -6.323 -2.873 -1.509 1.00 1.30 H new ATOM 0 HG22 VAL A 46 -6.549 -3.946 -2.910 1.00 1.30 H new ATOM 0 HG23 VAL A 46 -7.915 -2.986 -2.296 1.00 1.30 H new ATOM 172 N GLY A 47 -9.921 -6.700 -0.231 1.00 0.57 N ATOM 173 CA GLY A 47 -10.387 -7.783 0.614 1.00 0.58 C ATOM 174 C GLY A 47 -10.676 -9.032 -0.193 1.00 0.57 C ATOM 175 O GLY A 47 -10.636 -10.145 0.329 1.00 0.62 O ATOM 0 H GLY A 47 -10.552 -5.901 -0.295 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -9.635 -8.004 1.372 1.00 0.58 H new ATOM 0 HA3 GLY A 47 -11.289 -7.472 1.141 1.00 0.58 H new ATOM 179 N LYS A 48 -10.917 -8.840 -1.486 1.00 0.59 N ATOM 180 CA LYS A 48 -11.278 -9.931 -2.378 1.00 0.67 C ATOM 181 C LYS A 48 -10.046 -10.736 -2.779 1.00 0.65 C ATOM 182 O LYS A 48 -10.145 -11.890 -3.192 1.00 0.80 O ATOM 183 CB LYS A 48 -11.955 -9.373 -3.631 1.00 0.77 C ATOM 184 CG LYS A 48 -12.745 -10.398 -4.428 1.00 1.27 C ATOM 185 CD LYS A 48 -13.341 -9.784 -5.687 1.00 1.65 C ATOM 186 CE LYS A 48 -14.257 -8.609 -5.372 1.00 2.24 C ATOM 187 NZ LYS A 48 -15.500 -9.033 -4.665 1.00 2.99 N ATOM 0 H LYS A 48 -10.867 -7.928 -1.941 1.00 0.59 H new ATOM 0 HA LYS A 48 -11.967 -10.591 -1.851 1.00 0.67 H new ATOM 0 HB2 LYS A 48 -12.625 -8.564 -3.338 1.00 0.77 H new ATOM 0 HB3 LYS A 48 -11.193 -8.937 -4.277 1.00 0.77 H new ATOM 0 HG2 LYS A 48 -12.095 -11.229 -4.700 1.00 1.27 H new ATOM 0 HG3 LYS A 48 -13.543 -10.807 -3.808 1.00 1.27 H new ATOM 0 HD2 LYS A 48 -12.537 -9.451 -6.343 1.00 1.65 H new ATOM 0 HD3 LYS A 48 -13.901 -10.545 -6.231 1.00 1.65 H new ATOM 0 HE2 LYS A 48 -13.720 -7.887 -4.756 1.00 2.24 H new ATOM 0 HE3 LYS A 48 -14.524 -8.101 -6.299 1.00 2.24 H new ATOM 0 HZ1 LYS A 48 -16.107 -8.204 -4.502 1.00 2.99 H new ATOM 0 HZ2 LYS A 48 -16.011 -9.727 -5.247 1.00 2.99 H new ATOM 0 HZ3 LYS A 48 -15.250 -9.464 -3.752 1.00 2.99 H new ATOM 201 N ASP A 49 -8.885 -10.113 -2.655 1.00 0.61 N ATOM 202 CA ASP A 49 -7.634 -10.739 -3.058 1.00 0.70 C ATOM 203 C ASP A 49 -6.702 -10.852 -1.854 1.00 0.53 C ATOM 204 O ASP A 49 -5.506 -11.121 -1.983 1.00 0.46 O ATOM 205 CB ASP A 49 -7.000 -9.919 -4.189 1.00 0.96 C ATOM 206 CG ASP A 49 -5.889 -10.652 -4.923 1.00 1.38 C ATOM 207 OD1 ASP A 49 -5.833 -11.899 -4.828 1.00 1.80 O ATOM 208 OD2 ASP A 49 -5.041 -9.987 -5.558 1.00 1.82 O ATOM 0 H ASP A 49 -8.782 -9.171 -2.277 1.00 0.61 H new ATOM 0 HA ASP A 49 -7.820 -11.747 -3.429 1.00 0.70 H new ATOM 0 HB2 ASP A 49 -7.775 -9.642 -4.904 1.00 0.96 H new ATOM 0 HB3 ASP A 49 -6.601 -8.993 -3.775 1.00 0.96 H new ATOM 213 N LYS A 50 -7.285 -10.676 -0.670 1.00 0.52 N ATOM 214 CA LYS A 50 -6.544 -10.738 0.588 1.00 0.46 C ATOM 215 C LYS A 50 -5.742 -12.038 0.759 1.00 0.43 C ATOM 216 O LYS A 50 -4.598 -11.972 1.184 1.00 0.43 O ATOM 217 CB LYS A 50 -7.484 -10.563 1.781 1.00 0.51 C ATOM 218 CG LYS A 50 -7.582 -9.131 2.290 1.00 0.55 C ATOM 219 CD LYS A 50 -6.219 -8.589 2.712 1.00 0.74 C ATOM 220 CE LYS A 50 -5.593 -9.419 3.827 1.00 0.79 C ATOM 221 NZ LYS A 50 -6.341 -9.318 5.108 1.00 0.93 N ATOM 0 H LYS A 50 -8.281 -10.487 -0.556 1.00 0.52 H new ATOM 0 HA LYS A 50 -5.828 -9.917 0.551 1.00 0.46 H new ATOM 0 HB2 LYS A 50 -8.479 -10.906 1.499 1.00 0.51 H new ATOM 0 HB3 LYS A 50 -7.145 -11.204 2.595 1.00 0.51 H new ATOM 0 HG2 LYS A 50 -8.001 -8.495 1.510 1.00 0.55 H new ATOM 0 HG3 LYS A 50 -8.268 -9.091 3.136 1.00 0.55 H new ATOM 0 HD2 LYS A 50 -5.551 -8.577 1.851 1.00 0.74 H new ATOM 0 HD3 LYS A 50 -6.327 -7.557 3.046 1.00 0.74 H new ATOM 0 HE2 LYS A 50 -5.551 -10.463 3.517 1.00 0.79 H new ATOM 0 HE3 LYS A 50 -4.565 -9.092 3.985 1.00 0.79 H new ATOM 0 HZ1 LYS A 50 -5.800 -8.738 5.781 1.00 0.93 H new ATOM 0 HZ2 LYS A 50 -7.267 -8.876 4.936 1.00 0.93 H new ATOM 0 HZ3 LYS A 50 -6.480 -10.269 5.505 1.00 0.93 H new ATOM 235 N PRO A 51 -6.317 -13.235 0.463 1.00 0.46 N ATOM 236 CA PRO A 51 -5.604 -14.519 0.603 1.00 0.48 C ATOM 237 C PRO A 51 -4.214 -14.507 -0.033 1.00 0.42 C ATOM 238 O PRO A 51 -3.254 -15.040 0.529 1.00 0.44 O ATOM 239 CB PRO A 51 -6.505 -15.521 -0.132 1.00 0.57 C ATOM 240 CG PRO A 51 -7.505 -14.687 -0.859 1.00 0.54 C ATOM 241 CD PRO A 51 -7.685 -13.464 -0.016 1.00 0.51 C ATOM 0 HA PRO A 51 -5.433 -14.758 1.653 1.00 0.48 H new ATOM 0 HB2 PRO A 51 -5.928 -16.136 -0.823 1.00 0.57 H new ATOM 0 HB3 PRO A 51 -6.992 -16.200 0.568 1.00 0.57 H new ATOM 0 HG2 PRO A 51 -7.151 -14.428 -1.857 1.00 0.54 H new ATOM 0 HG3 PRO A 51 -8.447 -15.221 -0.984 1.00 0.54 H new ATOM 0 HD2 PRO A 51 -8.064 -12.620 -0.593 1.00 0.51 H new ATOM 0 HD3 PRO A 51 -8.384 -13.630 0.804 1.00 0.51 H new ATOM 249 N THR A 52 -4.112 -13.888 -1.201 1.00 0.39 N ATOM 250 CA THR A 52 -2.849 -13.818 -1.920 1.00 0.41 C ATOM 251 C THR A 52 -1.872 -12.905 -1.185 1.00 0.35 C ATOM 252 O THR A 52 -0.692 -13.240 -0.985 1.00 0.38 O ATOM 253 CB THR A 52 -3.075 -13.275 -3.346 1.00 0.51 C ATOM 254 OG1 THR A 52 -4.242 -13.885 -3.912 1.00 0.67 O ATOM 255 CG2 THR A 52 -1.870 -13.554 -4.235 1.00 0.56 C ATOM 0 H THR A 52 -4.891 -13.426 -1.671 1.00 0.39 H new ATOM 0 HA THR A 52 -2.432 -14.823 -1.977 1.00 0.41 H new ATOM 0 HB THR A 52 -3.214 -12.196 -3.285 1.00 0.51 H new ATOM 0 HG1 THR A 52 -4.789 -13.200 -4.351 1.00 0.67 H new ATOM 0 HG21 THR A 52 -2.056 -13.161 -5.234 1.00 0.56 H new ATOM 0 HG22 THR A 52 -0.988 -13.072 -3.814 1.00 0.56 H new ATOM 0 HG23 THR A 52 -1.702 -14.629 -4.294 1.00 0.56 H new ATOM 263 N TYR A 53 -2.386 -11.766 -0.737 1.00 0.33 N ATOM 264 CA TYR A 53 -1.572 -10.799 -0.026 1.00 0.37 C ATOM 265 C TYR A 53 -1.221 -11.334 1.356 1.00 0.32 C ATOM 266 O TYR A 53 -0.229 -10.928 1.954 1.00 0.35 O ATOM 267 CB TYR A 53 -2.315 -9.469 0.113 1.00 0.48 C ATOM 268 CG TYR A 53 -2.890 -8.930 -1.182 1.00 0.57 C ATOM 269 CD1 TYR A 53 -2.176 -9.030 -2.366 1.00 0.67 C ATOM 270 CD2 TYR A 53 -4.145 -8.342 -1.227 1.00 0.65 C ATOM 271 CE1 TYR A 53 -2.695 -8.562 -3.558 1.00 0.76 C ATOM 272 CE2 TYR A 53 -4.673 -7.875 -2.418 1.00 0.76 C ATOM 273 CZ TYR A 53 -3.947 -7.898 -3.539 1.00 0.81 C ATOM 274 OH TYR A 53 -4.462 -7.528 -4.767 1.00 0.92 O ATOM 0 H TYR A 53 -3.362 -11.493 -0.855 1.00 0.33 H new ATOM 0 HA TYR A 53 -0.657 -10.632 -0.595 1.00 0.37 H new ATOM 0 HB2 TYR A 53 -3.125 -9.594 0.831 1.00 0.48 H new ATOM 0 HB3 TYR A 53 -1.632 -8.728 0.529 1.00 0.48 H new ATOM 0 HD1 TYR A 53 -1.195 -9.482 -2.357 1.00 0.67 H new ATOM 0 HD2 TYR A 53 -4.720 -8.247 -0.318 1.00 0.65 H new ATOM 0 HE1 TYR A 53 -2.158 -8.699 -4.485 1.00 0.76 H new ATOM 0 HE2 TYR A 53 -5.681 -7.488 -2.441 1.00 0.76 H new ATOM 0 HH TYR A 53 -4.951 -8.282 -5.158 1.00 0.92 H new ATOM 284 N ASP A 54 -2.033 -12.268 1.839 1.00 0.32 N ATOM 285 CA ASP A 54 -1.806 -12.908 3.129 1.00 0.40 C ATOM 286 C ASP A 54 -0.590 -13.814 3.030 1.00 0.43 C ATOM 287 O ASP A 54 0.304 -13.783 3.883 1.00 0.49 O ATOM 288 CB ASP A 54 -3.040 -13.724 3.524 1.00 0.50 C ATOM 289 CG ASP A 54 -2.982 -14.266 4.937 1.00 1.22 C ATOM 290 OD1 ASP A 54 -2.366 -15.332 5.148 1.00 1.86 O ATOM 291 OD2 ASP A 54 -3.589 -13.645 5.839 1.00 1.46 O ATOM 0 H ASP A 54 -2.863 -12.601 1.350 1.00 0.32 H new ATOM 0 HA ASP A 54 -1.628 -12.149 3.891 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -3.927 -13.099 3.420 1.00 0.50 H new ATOM 0 HB3 ASP A 54 -3.153 -14.556 2.829 1.00 0.50 H new ATOM 296 N GLU A 55 -0.552 -14.577 1.944 1.00 0.43 N ATOM 297 CA GLU A 55 0.569 -15.457 1.662 1.00 0.52 C ATOM 298 C GLU A 55 1.881 -14.689 1.625 1.00 0.52 C ATOM 299 O GLU A 55 2.863 -15.104 2.235 1.00 0.70 O ATOM 300 CB GLU A 55 0.362 -16.169 0.326 1.00 0.57 C ATOM 301 CG GLU A 55 -0.585 -17.349 0.402 1.00 1.01 C ATOM 302 CD GLU A 55 -0.028 -18.472 1.245 1.00 1.39 C ATOM 303 OE1 GLU A 55 0.918 -19.148 0.788 1.00 1.90 O ATOM 304 OE2 GLU A 55 -0.529 -18.689 2.364 1.00 2.00 O ATOM 0 H GLU A 55 -1.291 -14.602 1.242 1.00 0.43 H new ATOM 0 HA GLU A 55 0.620 -16.192 2.465 1.00 0.52 H new ATOM 0 HB2 GLU A 55 -0.022 -15.453 -0.401 1.00 0.57 H new ATOM 0 HB3 GLU A 55 1.327 -16.513 -0.045 1.00 0.57 H new ATOM 0 HG2 GLU A 55 -1.538 -17.022 0.818 1.00 1.01 H new ATOM 0 HG3 GLU A 55 -0.786 -17.717 -0.604 1.00 1.01 H new ATOM 311 N ILE A 56 1.893 -13.570 0.913 1.00 0.40 N ATOM 312 CA ILE A 56 3.119 -12.793 0.752 1.00 0.42 C ATOM 313 C ILE A 56 3.455 -12.012 2.029 1.00 0.40 C ATOM 314 O ILE A 56 4.621 -11.909 2.416 1.00 0.52 O ATOM 315 CB ILE A 56 3.009 -11.826 -0.449 1.00 0.44 C ATOM 316 CG1 ILE A 56 2.605 -12.603 -1.707 1.00 0.47 C ATOM 317 CG2 ILE A 56 4.326 -11.095 -0.674 1.00 0.53 C ATOM 318 CD1 ILE A 56 2.461 -11.740 -2.943 1.00 0.52 C ATOM 0 H ILE A 56 1.077 -13.181 0.441 1.00 0.40 H new ATOM 0 HA ILE A 56 3.928 -13.498 0.558 1.00 0.42 H new ATOM 0 HB ILE A 56 2.243 -11.082 -0.231 1.00 0.44 H new ATOM 0 HG12 ILE A 56 3.350 -13.375 -1.900 1.00 0.47 H new ATOM 0 HG13 ILE A 56 1.660 -13.112 -1.519 1.00 0.47 H new ATOM 0 HG21 ILE A 56 4.227 -10.420 -1.524 1.00 0.53 H new ATOM 0 HG22 ILE A 56 4.581 -10.522 0.217 1.00 0.53 H new ATOM 0 HG23 ILE A 56 5.114 -11.820 -0.877 1.00 0.53 H new ATOM 0 HD11 ILE A 56 2.173 -12.363 -3.790 1.00 0.52 H new ATOM 0 HD12 ILE A 56 1.695 -10.984 -2.772 1.00 0.52 H new ATOM 0 HD13 ILE A 56 3.411 -11.251 -3.158 1.00 0.52 H new ATOM 330 N PHE A 57 2.427 -11.496 2.691 1.00 0.31 N ATOM 331 CA PHE A 57 2.599 -10.697 3.904 1.00 0.31 C ATOM 332 C PHE A 57 3.303 -11.491 4.999 1.00 0.35 C ATOM 333 O PHE A 57 4.313 -11.049 5.550 1.00 0.40 O ATOM 334 CB PHE A 57 1.231 -10.214 4.400 1.00 0.29 C ATOM 335 CG PHE A 57 1.272 -9.420 5.676 1.00 0.31 C ATOM 336 CD1 PHE A 57 1.820 -8.146 5.701 1.00 0.32 C ATOM 337 CD2 PHE A 57 0.780 -9.954 6.853 1.00 0.40 C ATOM 338 CE1 PHE A 57 1.866 -7.418 6.876 1.00 0.36 C ATOM 339 CE2 PHE A 57 0.825 -9.232 8.029 1.00 0.43 C ATOM 340 CZ PHE A 57 1.324 -7.940 8.028 1.00 0.40 C ATOM 0 H PHE A 57 1.455 -11.617 2.407 1.00 0.31 H new ATOM 0 HA PHE A 57 3.225 -9.838 3.662 1.00 0.31 H new ATOM 0 HB2 PHE A 57 0.772 -9.603 3.622 1.00 0.29 H new ATOM 0 HB3 PHE A 57 0.586 -11.080 4.547 1.00 0.29 H new ATOM 0 HD1 PHE A 57 2.216 -7.717 4.792 1.00 0.32 H new ATOM 0 HD2 PHE A 57 0.356 -10.947 6.852 1.00 0.40 H new ATOM 0 HE1 PHE A 57 2.327 -6.441 6.889 1.00 0.36 H new ATOM 0 HE2 PHE A 57 0.471 -9.674 8.949 1.00 0.43 H new ATOM 0 HZ PHE A 57 1.288 -7.344 8.928 1.00 0.40 H new ATOM 350 N TYR A 58 2.786 -12.675 5.299 1.00 0.35 N ATOM 351 CA TYR A 58 3.316 -13.465 6.401 1.00 0.41 C ATOM 352 C TYR A 58 4.696 -14.041 6.090 1.00 0.43 C ATOM 353 O TYR A 58 5.453 -14.356 7.004 1.00 0.46 O ATOM 354 CB TYR A 58 2.333 -14.571 6.796 1.00 0.50 C ATOM 355 CG TYR A 58 1.178 -14.063 7.635 1.00 0.91 C ATOM 356 CD1 TYR A 58 1.276 -13.975 9.016 1.00 1.50 C ATOM 357 CD2 TYR A 58 -0.017 -13.682 7.038 1.00 1.23 C ATOM 358 CE1 TYR A 58 0.216 -13.524 9.781 1.00 2.18 C ATOM 359 CE2 TYR A 58 -1.083 -13.227 7.797 1.00 1.92 C ATOM 360 CZ TYR A 58 -0.930 -13.110 9.184 1.00 2.35 C ATOM 361 OH TYR A 58 -2.017 -12.700 9.928 1.00 3.08 O ATOM 0 H TYR A 58 2.008 -13.106 4.800 1.00 0.35 H new ATOM 0 HA TYR A 58 3.440 -12.793 7.250 1.00 0.41 H new ATOM 0 HB2 TYR A 58 1.941 -15.041 5.894 1.00 0.50 H new ATOM 0 HB3 TYR A 58 2.866 -15.343 7.351 1.00 0.50 H new ATOM 0 HD1 TYR A 58 2.196 -14.264 9.502 1.00 1.50 H new ATOM 0 HD2 TYR A 58 -0.117 -13.741 5.964 1.00 1.23 H new ATOM 0 HE1 TYR A 58 0.301 -13.501 10.857 1.00 2.18 H new ATOM 0 HE2 TYR A 58 -2.019 -12.966 7.325 1.00 1.92 H new ATOM 0 HH TYR A 58 -2.745 -12.439 9.327 1.00 3.08 H new ATOM 371 N THR A 59 5.049 -14.146 4.813 1.00 0.44 N ATOM 372 CA THR A 59 6.363 -14.666 4.450 1.00 0.48 C ATOM 373 C THR A 59 7.455 -13.606 4.612 1.00 0.42 C ATOM 374 O THR A 59 8.638 -13.885 4.419 1.00 0.45 O ATOM 375 CB THR A 59 6.395 -15.236 3.015 1.00 0.59 C ATOM 376 OG1 THR A 59 5.815 -14.308 2.088 1.00 0.63 O ATOM 377 CG2 THR A 59 5.656 -16.568 2.943 1.00 0.75 C ATOM 0 H THR A 59 4.457 -13.884 4.025 1.00 0.44 H new ATOM 0 HA THR A 59 6.563 -15.484 5.142 1.00 0.48 H new ATOM 0 HB THR A 59 7.438 -15.400 2.745 1.00 0.59 H new ATOM 0 HG1 THR A 59 5.659 -13.451 2.537 1.00 0.63 H new ATOM 0 HG21 THR A 59 5.692 -16.950 1.923 1.00 0.75 H new ATOM 0 HG22 THR A 59 6.130 -17.284 3.615 1.00 0.75 H new ATOM 0 HG23 THR A 59 4.617 -16.424 3.240 1.00 0.75 H new ATOM 385 N LEU A 60 7.056 -12.390 4.978 1.00 0.37 N ATOM 386 CA LEU A 60 8.015 -11.320 5.244 1.00 0.38 C ATOM 387 C LEU A 60 8.218 -11.147 6.745 1.00 0.41 C ATOM 388 O LEU A 60 8.885 -10.210 7.191 1.00 0.56 O ATOM 389 CB LEU A 60 7.545 -10.003 4.615 1.00 0.40 C ATOM 390 CG LEU A 60 7.456 -10.002 3.086 1.00 0.52 C ATOM 391 CD1 LEU A 60 6.976 -8.654 2.583 1.00 1.26 C ATOM 392 CD2 LEU A 60 8.801 -10.349 2.466 1.00 1.25 C ATOM 0 H LEU A 60 6.079 -12.121 5.097 1.00 0.37 H new ATOM 0 HA LEU A 60 8.968 -11.596 4.793 1.00 0.38 H new ATOM 0 HB2 LEU A 60 6.563 -9.756 5.020 1.00 0.40 H new ATOM 0 HB3 LEU A 60 8.225 -9.209 4.923 1.00 0.40 H new ATOM 0 HG LEU A 60 6.735 -10.763 2.787 1.00 0.52 H new ATOM 0 HD11 LEU A 60 6.919 -8.671 1.495 1.00 1.26 H new ATOM 0 HD12 LEU A 60 5.989 -8.442 2.995 1.00 1.26 H new ATOM 0 HD13 LEU A 60 7.675 -7.879 2.897 1.00 1.26 H new ATOM 0 HD21 LEU A 60 8.713 -10.342 1.380 1.00 1.25 H new ATOM 0 HD22 LEU A 60 9.544 -9.614 2.775 1.00 1.25 H new ATOM 0 HD23 LEU A 60 9.110 -11.340 2.799 1.00 1.25 H new ATOM 404 N SER A 61 7.636 -12.070 7.513 1.00 0.36 N ATOM 405 CA SER A 61 7.782 -12.104 8.970 1.00 0.41 C ATOM 406 C SER A 61 7.284 -10.814 9.630 1.00 0.40 C ATOM 407 O SER A 61 8.061 -9.894 9.894 1.00 0.50 O ATOM 408 CB SER A 61 9.240 -12.376 9.349 1.00 0.55 C ATOM 409 OG SER A 61 9.725 -13.529 8.675 1.00 1.11 O ATOM 0 H SER A 61 7.049 -12.817 7.142 1.00 0.36 H new ATOM 0 HA SER A 61 7.159 -12.916 9.344 1.00 0.41 H new ATOM 0 HB2 SER A 61 9.855 -11.513 9.093 1.00 0.55 H new ATOM 0 HB3 SER A 61 9.321 -12.517 10.427 1.00 0.55 H new ATOM 0 HG SER A 61 10.659 -13.687 8.928 1.00 1.11 H new ATOM 415 N PRO A 62 5.970 -10.730 9.892 1.00 0.37 N ATOM 416 CA PRO A 62 5.355 -9.563 10.517 1.00 0.42 C ATOM 417 C PRO A 62 5.588 -9.523 12.024 1.00 0.47 C ATOM 418 O PRO A 62 5.577 -10.556 12.695 1.00 0.69 O ATOM 419 CB PRO A 62 3.856 -9.726 10.214 1.00 0.50 C ATOM 420 CG PRO A 62 3.732 -10.955 9.366 1.00 0.51 C ATOM 421 CD PRO A 62 4.972 -11.764 9.606 1.00 0.38 C ATOM 0 HA PRO A 62 5.778 -8.634 10.134 1.00 0.42 H new ATOM 0 HB2 PRO A 62 3.282 -9.829 11.135 1.00 0.50 H new ATOM 0 HB3 PRO A 62 3.467 -8.852 9.692 1.00 0.50 H new ATOM 0 HG2 PRO A 62 2.841 -11.523 9.633 1.00 0.51 H new ATOM 0 HG3 PRO A 62 3.638 -10.692 8.312 1.00 0.51 H new ATOM 0 HD2 PRO A 62 4.852 -12.455 10.441 1.00 0.38 H new ATOM 0 HD3 PRO A 62 5.243 -12.361 8.735 1.00 0.38 H new ATOM 429 N VAL A 63 5.794 -8.329 12.555 1.00 0.39 N ATOM 430 CA VAL A 63 5.987 -8.152 13.983 1.00 0.48 C ATOM 431 C VAL A 63 4.822 -7.359 14.562 1.00 0.42 C ATOM 432 O VAL A 63 4.572 -6.225 14.153 1.00 0.41 O ATOM 433 CB VAL A 63 7.314 -7.423 14.301 1.00 0.60 C ATOM 434 CG1 VAL A 63 7.529 -7.318 15.804 1.00 1.43 C ATOM 435 CG2 VAL A 63 8.491 -8.133 13.648 1.00 1.14 C ATOM 0 H VAL A 63 5.832 -7.465 12.015 1.00 0.39 H new ATOM 0 HA VAL A 63 6.032 -9.142 14.436 1.00 0.48 H new ATOM 0 HB VAL A 63 7.248 -6.415 13.892 1.00 0.60 H new ATOM 0 HG11 VAL A 63 8.468 -6.802 16.002 1.00 1.43 H new ATOM 0 HG12 VAL A 63 6.707 -6.759 16.251 1.00 1.43 H new ATOM 0 HG13 VAL A 63 7.566 -8.318 16.237 1.00 1.43 H new ATOM 0 HG21 VAL A 63 9.413 -7.603 13.885 1.00 1.14 H new ATOM 0 HG22 VAL A 63 8.553 -9.155 14.023 1.00 1.14 H new ATOM 0 HG23 VAL A 63 8.351 -8.151 12.567 1.00 1.14 H new ATOM 445 N ASN A 64 4.098 -7.977 15.490 1.00 0.47 N ATOM 446 CA ASN A 64 2.929 -7.355 16.119 1.00 0.50 C ATOM 447 C ASN A 64 1.858 -7.005 15.087 1.00 0.52 C ATOM 448 O ASN A 64 1.045 -6.107 15.297 1.00 0.68 O ATOM 449 CB ASN A 64 3.338 -6.111 16.919 1.00 0.57 C ATOM 450 CG ASN A 64 3.912 -6.463 18.280 1.00 1.25 C ATOM 451 OD1 ASN A 64 3.524 -7.456 18.892 1.00 2.15 O ATOM 452 ND2 ASN A 64 4.836 -5.651 18.766 1.00 1.72 N ATOM 0 H ASN A 64 4.300 -8.918 15.828 1.00 0.47 H new ATOM 0 HA ASN A 64 2.500 -8.082 16.808 1.00 0.50 H new ATOM 0 HB2 ASN A 64 4.076 -5.544 16.352 1.00 0.57 H new ATOM 0 HB3 ASN A 64 2.470 -5.464 17.049 1.00 0.57 H new ATOM 0 HD21 ASN A 64 5.252 -5.839 19.678 1.00 1.72 H new ATOM 0 HD22 ASN A 64 5.133 -4.836 18.229 1.00 1.72 H new ATOM 459 N GLY A 65 1.841 -7.752 13.990 1.00 0.46 N ATOM 460 CA GLY A 65 0.817 -7.572 12.980 1.00 0.55 C ATOM 461 C GLY A 65 1.221 -6.640 11.849 1.00 0.45 C ATOM 462 O GLY A 65 0.460 -6.463 10.900 1.00 0.62 O ATOM 0 H GLY A 65 2.522 -8.482 13.782 1.00 0.46 H new ATOM 0 HA2 GLY A 65 0.559 -8.545 12.561 1.00 0.55 H new ATOM 0 HA3 GLY A 65 -0.083 -7.181 13.455 1.00 0.55 H new ATOM 466 N LYS A 66 2.407 -6.043 11.928 1.00 0.32 N ATOM 467 CA LYS A 66 2.884 -5.181 10.852 1.00 0.35 C ATOM 468 C LYS A 66 4.303 -5.548 10.457 1.00 0.27 C ATOM 469 O LYS A 66 5.087 -6.015 11.279 1.00 0.42 O ATOM 470 CB LYS A 66 2.819 -3.701 11.249 1.00 0.58 C ATOM 471 CG LYS A 66 1.427 -3.236 11.644 1.00 0.74 C ATOM 472 CD LYS A 66 1.263 -1.726 11.524 1.00 0.90 C ATOM 473 CE LYS A 66 1.421 -1.267 10.089 1.00 1.52 C ATOM 474 NZ LYS A 66 0.897 0.105 9.860 1.00 2.24 N ATOM 0 H LYS A 66 3.048 -6.138 12.716 1.00 0.32 H new ATOM 0 HA LYS A 66 2.227 -5.335 9.996 1.00 0.35 H new ATOM 0 HB2 LYS A 66 3.501 -3.527 12.081 1.00 0.58 H new ATOM 0 HB3 LYS A 66 3.172 -3.094 10.415 1.00 0.58 H new ATOM 0 HG2 LYS A 66 0.689 -3.730 11.012 1.00 0.74 H new ATOM 0 HG3 LYS A 66 1.223 -3.540 12.671 1.00 0.74 H new ATOM 0 HD2 LYS A 66 0.281 -1.434 11.895 1.00 0.90 H new ATOM 0 HD3 LYS A 66 2.002 -1.227 12.151 1.00 0.90 H new ATOM 0 HE2 LYS A 66 2.476 -1.298 9.817 1.00 1.52 H new ATOM 0 HE3 LYS A 66 0.902 -1.963 9.431 1.00 1.52 H new ATOM 0 HZ1 LYS A 66 0.795 0.272 8.839 1.00 2.24 H new ATOM 0 HZ2 LYS A 66 -0.030 0.204 10.322 1.00 2.24 H new ATOM 0 HZ3 LYS A 66 1.559 0.801 10.260 1.00 2.24 H new ATOM 488 N ILE A 67 4.623 -5.343 9.194 1.00 0.24 N ATOM 489 CA ILE A 67 5.958 -5.618 8.699 1.00 0.24 C ATOM 490 C ILE A 67 6.741 -4.321 8.560 1.00 0.28 C ATOM 491 O ILE A 67 6.150 -3.237 8.443 1.00 0.31 O ATOM 492 CB ILE A 67 5.950 -6.352 7.341 1.00 0.24 C ATOM 493 CG1 ILE A 67 5.203 -5.531 6.291 1.00 0.25 C ATOM 494 CG2 ILE A 67 5.348 -7.743 7.482 1.00 0.26 C ATOM 495 CD1 ILE A 67 5.282 -6.123 4.906 1.00 0.28 C ATOM 0 H ILE A 67 3.976 -4.986 8.491 1.00 0.24 H new ATOM 0 HA ILE A 67 6.434 -6.274 9.428 1.00 0.24 H new ATOM 0 HB ILE A 67 6.981 -6.468 7.007 1.00 0.24 H new ATOM 0 HG12 ILE A 67 4.156 -5.446 6.583 1.00 0.25 H new ATOM 0 HG13 ILE A 67 5.612 -4.521 6.271 1.00 0.25 H new ATOM 0 HG21 ILE A 67 5.353 -8.241 6.513 1.00 0.26 H new ATOM 0 HG22 ILE A 67 5.937 -8.324 8.192 1.00 0.26 H new ATOM 0 HG23 ILE A 67 4.323 -7.661 7.843 1.00 0.26 H new ATOM 0 HD11 ILE A 67 4.731 -5.492 4.209 1.00 0.28 H new ATOM 0 HD12 ILE A 67 6.325 -6.183 4.595 1.00 0.28 H new ATOM 0 HD13 ILE A 67 4.847 -7.122 4.912 1.00 0.28 H new ATOM 507 N THR A 68 8.060 -4.447 8.565 1.00 0.33 N ATOM 508 CA THR A 68 8.947 -3.300 8.477 1.00 0.38 C ATOM 509 C THR A 68 9.211 -2.927 7.024 1.00 0.39 C ATOM 510 O THR A 68 8.991 -3.732 6.110 1.00 0.46 O ATOM 511 CB THR A 68 10.285 -3.580 9.197 1.00 0.44 C ATOM 512 OG1 THR A 68 10.829 -4.838 8.763 1.00 0.52 O ATOM 513 CG2 THR A 68 10.086 -3.597 10.708 1.00 0.42 C ATOM 0 H THR A 68 8.542 -5.343 8.630 1.00 0.33 H new ATOM 0 HA THR A 68 8.453 -2.463 8.970 1.00 0.38 H new ATOM 0 HB THR A 68 10.984 -2.783 8.944 1.00 0.44 H new ATOM 0 HG1 THR A 68 11.677 -5.004 9.224 1.00 0.52 H new ATOM 0 HG21 THR A 68 11.039 -3.796 11.198 1.00 0.42 H new ATOM 0 HG22 THR A 68 9.704 -2.630 11.036 1.00 0.42 H new ATOM 0 HG23 THR A 68 9.372 -4.377 10.972 1.00 0.42 H new ATOM 521 N GLY A 69 9.686 -1.704 6.822 1.00 0.38 N ATOM 522 CA GLY A 69 9.946 -1.213 5.485 1.00 0.38 C ATOM 523 C GLY A 69 11.048 -1.977 4.781 1.00 0.36 C ATOM 524 O GLY A 69 11.058 -2.060 3.557 1.00 0.37 O ATOM 0 H GLY A 69 9.897 -1.040 7.567 1.00 0.38 H new ATOM 0 HA2 GLY A 69 9.032 -1.278 4.895 1.00 0.38 H new ATOM 0 HA3 GLY A 69 10.218 -0.159 5.537 1.00 0.38 H new ATOM 528 N ALA A 70 11.969 -2.541 5.554 1.00 0.36 N ATOM 529 CA ALA A 70 13.081 -3.314 5.003 1.00 0.37 C ATOM 530 C ALA A 70 12.594 -4.463 4.123 1.00 0.34 C ATOM 531 O ALA A 70 12.984 -4.583 2.955 1.00 0.33 O ATOM 532 CB ALA A 70 13.954 -3.847 6.130 1.00 0.40 C ATOM 0 H ALA A 70 11.969 -2.478 6.572 1.00 0.36 H new ATOM 0 HA ALA A 70 13.669 -2.646 4.374 1.00 0.37 H new ATOM 0 HB1 ALA A 70 14.780 -4.421 5.710 1.00 0.40 H new ATOM 0 HB2 ALA A 70 14.350 -3.013 6.709 1.00 0.40 H new ATOM 0 HB3 ALA A 70 13.358 -4.489 6.779 1.00 0.40 H new ATOM 538 N ASN A 71 11.718 -5.287 4.676 1.00 0.40 N ATOM 539 CA ASN A 71 11.273 -6.497 3.998 1.00 0.47 C ATOM 540 C ASN A 71 10.323 -6.167 2.856 1.00 0.36 C ATOM 541 O ASN A 71 10.339 -6.817 1.807 1.00 0.33 O ATOM 542 CB ASN A 71 10.620 -7.457 4.996 1.00 0.64 C ATOM 543 CG ASN A 71 11.610 -7.938 6.039 1.00 0.80 C ATOM 544 OD1 ASN A 71 12.299 -8.938 5.844 1.00 1.73 O ATOM 545 ND2 ASN A 71 11.683 -7.234 7.158 1.00 0.58 N ATOM 0 H ASN A 71 11.300 -5.141 5.595 1.00 0.40 H new ATOM 0 HA ASN A 71 12.146 -6.989 3.569 1.00 0.47 H new ATOM 0 HB2 ASN A 71 9.786 -6.958 5.489 1.00 0.64 H new ATOM 0 HB3 ASN A 71 10.209 -8.314 4.462 1.00 0.64 H new ATOM 0 HD21 ASN A 71 12.328 -7.515 7.896 1.00 0.58 H new ATOM 0 HD22 ASN A 71 11.094 -6.410 7.282 1.00 0.58 H new ATOM 552 N ALA A 72 9.524 -5.132 3.039 1.00 0.35 N ATOM 553 CA ALA A 72 8.614 -4.703 1.997 1.00 0.30 C ATOM 554 C ALA A 72 9.383 -4.012 0.875 1.00 0.29 C ATOM 555 O ALA A 72 8.976 -4.066 -0.282 1.00 0.30 O ATOM 556 CB ALA A 72 7.533 -3.802 2.570 1.00 0.36 C ATOM 0 H ALA A 72 9.487 -4.577 3.894 1.00 0.35 H new ATOM 0 HA ALA A 72 8.122 -5.579 1.575 1.00 0.30 H new ATOM 0 HB1 ALA A 72 6.859 -3.490 1.772 1.00 0.36 H new ATOM 0 HB2 ALA A 72 6.970 -4.346 3.329 1.00 0.36 H new ATOM 0 HB3 ALA A 72 7.993 -2.923 3.021 1.00 0.36 H new ATOM 562 N LYS A 73 10.510 -3.383 1.214 1.00 0.28 N ATOM 563 CA LYS A 73 11.362 -2.760 0.206 1.00 0.31 C ATOM 564 C LYS A 73 11.973 -3.824 -0.700 1.00 0.31 C ATOM 565 O LYS A 73 11.880 -3.736 -1.923 1.00 0.34 O ATOM 566 CB LYS A 73 12.478 -1.914 0.844 1.00 0.35 C ATOM 567 CG LYS A 73 13.443 -1.329 -0.179 1.00 0.39 C ATOM 568 CD LYS A 73 14.577 -0.538 0.461 1.00 0.53 C ATOM 569 CE LYS A 73 14.090 0.757 1.096 1.00 0.61 C ATOM 570 NZ LYS A 73 15.222 1.637 1.510 1.00 0.54 N ATOM 0 H LYS A 73 10.850 -3.293 2.172 1.00 0.28 H new ATOM 0 HA LYS A 73 10.734 -2.094 -0.386 1.00 0.31 H new ATOM 0 HB2 LYS A 73 12.029 -1.102 1.416 1.00 0.35 H new ATOM 0 HB3 LYS A 73 13.035 -2.531 1.549 1.00 0.35 H new ATOM 0 HG2 LYS A 73 13.863 -2.137 -0.778 1.00 0.39 H new ATOM 0 HG3 LYS A 73 12.893 -0.680 -0.860 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.063 -1.152 1.219 1.00 0.53 H new ATOM 0 HD3 LYS A 73 15.329 -0.310 -0.294 1.00 0.53 H new ATOM 0 HE2 LYS A 73 13.455 1.291 0.389 1.00 0.61 H new ATOM 0 HE3 LYS A 73 13.474 0.525 1.965 1.00 0.61 H new ATOM 0 HZ1 LYS A 73 14.847 2.508 1.937 1.00 0.54 H new ATOM 0 HZ2 LYS A 73 15.814 1.138 2.204 1.00 0.54 H new ATOM 0 HZ3 LYS A 73 15.796 1.880 0.677 1.00 0.54 H new ATOM 584 N LYS A 74 12.582 -4.837 -0.093 1.00 0.32 N ATOM 585 CA LYS A 74 13.240 -5.890 -0.856 1.00 0.36 C ATOM 586 C LYS A 74 12.244 -6.673 -1.718 1.00 0.34 C ATOM 587 O LYS A 74 12.565 -7.065 -2.839 1.00 0.37 O ATOM 588 CB LYS A 74 14.026 -6.823 0.070 1.00 0.43 C ATOM 589 CG LYS A 74 13.222 -7.362 1.243 1.00 0.90 C ATOM 590 CD LYS A 74 14.111 -8.042 2.269 1.00 1.04 C ATOM 591 CE LYS A 74 14.575 -9.409 1.801 1.00 1.26 C ATOM 592 NZ LYS A 74 15.536 -10.018 2.757 1.00 2.24 N ATOM 0 H LYS A 74 12.633 -4.951 0.919 1.00 0.32 H new ATOM 0 HA LYS A 74 13.946 -5.413 -1.535 1.00 0.36 H new ATOM 0 HB2 LYS A 74 14.403 -7.663 -0.514 1.00 0.43 H new ATOM 0 HB3 LYS A 74 14.894 -6.288 0.455 1.00 0.43 H new ATOM 0 HG2 LYS A 74 12.678 -6.545 1.717 1.00 0.90 H new ATOM 0 HG3 LYS A 74 12.478 -8.071 0.879 1.00 0.90 H new ATOM 0 HD2 LYS A 74 14.979 -7.414 2.470 1.00 1.04 H new ATOM 0 HD3 LYS A 74 13.568 -8.145 3.208 1.00 1.04 H new ATOM 0 HE2 LYS A 74 13.713 -10.066 1.683 1.00 1.26 H new ATOM 0 HE3 LYS A 74 15.044 -9.319 0.821 1.00 1.26 H new ATOM 0 HZ1 LYS A 74 15.832 -10.951 2.405 1.00 2.24 H new ATOM 0 HZ2 LYS A 74 16.370 -9.403 2.850 1.00 2.24 H new ATOM 0 HZ3 LYS A 74 15.080 -10.127 3.685 1.00 2.24 H new ATOM 606 N GLU A 75 11.033 -6.872 -1.210 1.00 0.32 N ATOM 607 CA GLU A 75 9.981 -7.529 -1.985 1.00 0.33 C ATOM 608 C GLU A 75 9.564 -6.634 -3.159 1.00 0.31 C ATOM 609 O GLU A 75 9.462 -7.080 -4.307 1.00 0.37 O ATOM 610 CB GLU A 75 8.776 -7.833 -1.079 1.00 0.36 C ATOM 611 CG GLU A 75 7.642 -8.585 -1.768 1.00 0.40 C ATOM 612 CD GLU A 75 8.108 -9.864 -2.440 1.00 0.44 C ATOM 613 OE1 GLU A 75 8.449 -10.830 -1.724 1.00 0.76 O ATOM 614 OE2 GLU A 75 8.139 -9.906 -3.688 1.00 0.82 O ATOM 0 H GLU A 75 10.754 -6.590 -0.270 1.00 0.32 H new ATOM 0 HA GLU A 75 10.360 -8.470 -2.384 1.00 0.33 H new ATOM 0 HB2 GLU A 75 9.118 -8.418 -0.225 1.00 0.36 H new ATOM 0 HB3 GLU A 75 8.387 -6.894 -0.686 1.00 0.36 H new ATOM 0 HG2 GLU A 75 6.873 -8.825 -1.034 1.00 0.40 H new ATOM 0 HG3 GLU A 75 7.181 -7.936 -2.512 1.00 0.40 H new ATOM 621 N MET A 76 9.368 -5.357 -2.859 1.00 0.28 N ATOM 622 CA MET A 76 8.928 -4.383 -3.846 1.00 0.31 C ATOM 623 C MET A 76 9.924 -4.285 -5.005 1.00 0.33 C ATOM 624 O MET A 76 9.527 -4.225 -6.171 1.00 0.38 O ATOM 625 CB MET A 76 8.773 -3.015 -3.184 1.00 0.40 C ATOM 626 CG MET A 76 7.625 -2.193 -3.736 1.00 0.65 C ATOM 627 SD MET A 76 6.036 -2.630 -3.009 1.00 1.04 S ATOM 628 CE MET A 76 6.314 -2.220 -1.288 1.00 0.63 C ATOM 0 H MET A 76 9.509 -4.969 -1.926 1.00 0.28 H new ATOM 0 HA MET A 76 7.968 -4.710 -4.246 1.00 0.31 H new ATOM 0 HB2 MET A 76 8.625 -3.155 -2.113 1.00 0.40 H new ATOM 0 HB3 MET A 76 9.700 -2.455 -3.307 1.00 0.40 H new ATOM 0 HG2 MET A 76 7.822 -1.136 -3.557 1.00 0.65 H new ATOM 0 HG3 MET A 76 7.574 -2.329 -4.816 1.00 0.65 H new ATOM 0 HE1 MET A 76 5.486 -1.614 -0.920 1.00 0.63 H new ATOM 0 HE2 MET A 76 6.382 -3.137 -0.702 1.00 0.63 H new ATOM 0 HE3 MET A 76 7.244 -1.659 -1.193 1.00 0.63 H new ATOM 638 N VAL A 77 11.218 -4.279 -4.686 1.00 0.35 N ATOM 639 CA VAL A 77 12.247 -4.162 -5.717 1.00 0.44 C ATOM 640 C VAL A 77 12.386 -5.469 -6.489 1.00 0.49 C ATOM 641 O VAL A 77 12.699 -5.468 -7.682 1.00 0.62 O ATOM 642 CB VAL A 77 13.623 -3.734 -5.148 1.00 0.52 C ATOM 643 CG1 VAL A 77 13.526 -2.376 -4.463 1.00 0.78 C ATOM 644 CG2 VAL A 77 14.176 -4.778 -4.189 1.00 1.02 C ATOM 0 H VAL A 77 11.575 -4.353 -3.733 1.00 0.35 H new ATOM 0 HA VAL A 77 11.918 -3.373 -6.393 1.00 0.44 H new ATOM 0 HB VAL A 77 14.315 -3.650 -5.986 1.00 0.52 H new ATOM 0 HG11 VAL A 77 14.504 -2.096 -4.071 1.00 0.78 H new ATOM 0 HG12 VAL A 77 13.196 -1.628 -5.184 1.00 0.78 H new ATOM 0 HG13 VAL A 77 12.809 -2.432 -3.644 1.00 0.78 H new ATOM 0 HG21 VAL A 77 15.142 -4.447 -3.808 1.00 1.02 H new ATOM 0 HG22 VAL A 77 13.484 -4.911 -3.357 1.00 1.02 H new ATOM 0 HG23 VAL A 77 14.299 -5.725 -4.714 1.00 1.02 H new ATOM 654 N LYS A 78 12.119 -6.585 -5.821 1.00 0.46 N ATOM 655 CA LYS A 78 12.148 -7.878 -6.485 1.00 0.58 C ATOM 656 C LYS A 78 10.992 -8.013 -7.466 1.00 0.53 C ATOM 657 O LYS A 78 11.024 -8.858 -8.360 1.00 0.62 O ATOM 658 CB LYS A 78 12.118 -9.023 -5.478 1.00 0.76 C ATOM 659 CG LYS A 78 13.473 -9.318 -4.865 1.00 0.97 C ATOM 660 CD LYS A 78 13.449 -10.612 -4.072 1.00 1.17 C ATOM 661 CE LYS A 78 14.855 -11.105 -3.777 1.00 2.01 C ATOM 662 NZ LYS A 78 14.850 -12.401 -3.052 1.00 3.04 N ATOM 0 H LYS A 78 11.882 -6.619 -4.829 1.00 0.46 H new ATOM 0 HA LYS A 78 13.085 -7.937 -7.039 1.00 0.58 H new ATOM 0 HB2 LYS A 78 11.412 -8.780 -4.683 1.00 0.76 H new ATOM 0 HB3 LYS A 78 11.746 -9.921 -5.971 1.00 0.76 H new ATOM 0 HG2 LYS A 78 14.224 -9.385 -5.652 1.00 0.97 H new ATOM 0 HG3 LYS A 78 13.767 -8.495 -4.214 1.00 0.97 H new ATOM 0 HD2 LYS A 78 12.912 -10.458 -3.136 1.00 1.17 H new ATOM 0 HD3 LYS A 78 12.904 -11.373 -4.630 1.00 1.17 H new ATOM 0 HE2 LYS A 78 15.404 -11.215 -4.712 1.00 2.01 H new ATOM 0 HE3 LYS A 78 15.383 -10.359 -3.183 1.00 2.01 H new ATOM 0 HZ1 LYS A 78 15.829 -12.701 -2.871 1.00 3.04 H new ATOM 0 HZ2 LYS A 78 14.349 -12.291 -2.148 1.00 3.04 H new ATOM 0 HZ3 LYS A 78 14.369 -13.120 -3.629 1.00 3.04 H new ATOM 676 N SER A 79 9.981 -7.167 -7.308 1.00 0.47 N ATOM 677 CA SER A 79 8.854 -7.147 -8.229 1.00 0.49 C ATOM 678 C SER A 79 9.248 -6.507 -9.570 1.00 0.48 C ATOM 679 O SER A 79 8.481 -6.544 -10.531 1.00 0.57 O ATOM 680 CB SER A 79 7.679 -6.411 -7.587 1.00 0.48 C ATOM 681 OG SER A 79 7.339 -6.999 -6.341 1.00 0.86 O ATOM 0 H SER A 79 9.920 -6.487 -6.551 1.00 0.47 H new ATOM 0 HA SER A 79 8.551 -8.173 -8.438 1.00 0.49 H new ATOM 0 HB2 SER A 79 7.936 -5.362 -7.441 1.00 0.48 H new ATOM 0 HB3 SER A 79 6.818 -6.438 -8.255 1.00 0.48 H new ATOM 0 HG SER A 79 8.070 -6.861 -5.704 1.00 0.86 H new ATOM 687 N LYS A 80 10.455 -5.930 -9.608 1.00 0.44 N ATOM 688 CA LYS A 80 11.075 -5.401 -10.834 1.00 0.47 C ATOM 689 C LYS A 80 10.444 -4.099 -11.328 1.00 0.46 C ATOM 690 O LYS A 80 10.594 -3.736 -12.500 1.00 0.58 O ATOM 691 CB LYS A 80 11.050 -6.438 -11.960 1.00 0.60 C ATOM 692 CG LYS A 80 11.664 -7.775 -11.582 1.00 0.64 C ATOM 693 CD LYS A 80 13.021 -7.620 -10.908 1.00 1.15 C ATOM 694 CE LYS A 80 13.677 -8.970 -10.662 1.00 1.42 C ATOM 695 NZ LYS A 80 12.704 -9.985 -10.170 1.00 2.05 N ATOM 0 H LYS A 80 11.038 -5.815 -8.779 1.00 0.44 H new ATOM 0 HA LYS A 80 12.106 -5.177 -10.560 1.00 0.47 H new ATOM 0 HB2 LYS A 80 10.017 -6.599 -12.269 1.00 0.60 H new ATOM 0 HB3 LYS A 80 11.582 -6.036 -12.822 1.00 0.60 H new ATOM 0 HG2 LYS A 80 10.987 -8.306 -10.913 1.00 0.64 H new ATOM 0 HG3 LYS A 80 11.774 -8.388 -12.477 1.00 0.64 H new ATOM 0 HD2 LYS A 80 13.671 -7.007 -11.532 1.00 1.15 H new ATOM 0 HD3 LYS A 80 12.900 -7.095 -9.961 1.00 1.15 H new ATOM 0 HE2 LYS A 80 14.134 -9.324 -11.586 1.00 1.42 H new ATOM 0 HE3 LYS A 80 14.480 -8.855 -9.934 1.00 1.42 H new ATOM 0 HZ1 LYS A 80 13.219 -10.791 -9.762 1.00 2.05 H new ATOM 0 HZ2 LYS A 80 12.096 -9.559 -9.442 1.00 2.05 H new ATOM 0 HZ3 LYS A 80 12.116 -10.315 -10.962 1.00 2.05 H new ATOM 709 N LEU A 81 9.770 -3.378 -10.451 1.00 0.42 N ATOM 710 CA LEU A 81 9.249 -2.067 -10.813 1.00 0.43 C ATOM 711 C LEU A 81 10.232 -0.982 -10.381 1.00 0.43 C ATOM 712 O LEU A 81 10.968 -1.155 -9.408 1.00 0.44 O ATOM 713 CB LEU A 81 7.864 -1.804 -10.193 1.00 0.46 C ATOM 714 CG LEU A 81 6.694 -2.625 -10.749 1.00 0.63 C ATOM 715 CD1 LEU A 81 6.746 -2.695 -12.270 1.00 1.34 C ATOM 716 CD2 LEU A 81 6.655 -4.016 -10.138 1.00 1.22 C ATOM 0 H LEU A 81 9.571 -3.670 -9.494 1.00 0.42 H new ATOM 0 HA LEU A 81 9.130 -2.045 -11.896 1.00 0.43 H new ATOM 0 HB2 LEU A 81 7.930 -1.989 -9.121 1.00 0.46 H new ATOM 0 HB3 LEU A 81 7.629 -0.747 -10.320 1.00 0.46 H new ATOM 0 HG LEU A 81 5.772 -2.116 -10.469 1.00 0.63 H new ATOM 0 HD11 LEU A 81 5.905 -3.283 -12.636 1.00 1.34 H new ATOM 0 HD12 LEU A 81 6.691 -1.688 -12.683 1.00 1.34 H new ATOM 0 HD13 LEU A 81 7.679 -3.164 -12.581 1.00 1.34 H new ATOM 0 HD21 LEU A 81 5.814 -4.572 -10.553 1.00 1.22 H new ATOM 0 HD22 LEU A 81 7.584 -4.539 -10.365 1.00 1.22 H new ATOM 0 HD23 LEU A 81 6.539 -3.936 -9.057 1.00 1.22 H new ATOM 728 N PRO A 82 10.287 0.131 -11.127 1.00 0.45 N ATOM 729 CA PRO A 82 11.134 1.284 -10.784 1.00 0.49 C ATOM 730 C PRO A 82 10.780 1.883 -9.426 1.00 0.44 C ATOM 731 O PRO A 82 9.627 1.819 -8.997 1.00 0.39 O ATOM 732 CB PRO A 82 10.825 2.296 -11.890 1.00 0.54 C ATOM 733 CG PRO A 82 10.281 1.489 -13.016 1.00 0.62 C ATOM 734 CD PRO A 82 9.557 0.341 -12.388 1.00 0.48 C ATOM 0 HA PRO A 82 12.185 1.003 -10.716 1.00 0.49 H new ATOM 0 HB2 PRO A 82 10.102 3.039 -11.553 1.00 0.54 H new ATOM 0 HB3 PRO A 82 11.722 2.837 -12.191 1.00 0.54 H new ATOM 0 HG2 PRO A 82 9.608 2.084 -13.633 1.00 0.62 H new ATOM 0 HG3 PRO A 82 11.082 1.137 -13.666 1.00 0.62 H new ATOM 0 HD2 PRO A 82 8.507 0.575 -12.211 1.00 0.48 H new ATOM 0 HD3 PRO A 82 9.583 -0.546 -13.021 1.00 0.48 H new ATOM 742 N ASN A 83 11.767 2.494 -8.772 1.00 0.49 N ATOM 743 CA ASN A 83 11.580 3.072 -7.438 1.00 0.48 C ATOM 744 C ASN A 83 10.467 4.111 -7.438 1.00 0.41 C ATOM 745 O ASN A 83 9.750 4.259 -6.451 1.00 0.37 O ATOM 746 CB ASN A 83 12.874 3.710 -6.919 1.00 0.57 C ATOM 747 CG ASN A 83 13.937 2.687 -6.564 1.00 0.71 C ATOM 748 OD1 ASN A 83 14.046 1.636 -7.192 1.00 0.94 O ATOM 749 ND2 ASN A 83 14.729 2.990 -5.544 1.00 0.89 N ATOM 0 H ASN A 83 12.710 2.603 -9.145 1.00 0.49 H new ATOM 0 HA ASN A 83 11.301 2.254 -6.774 1.00 0.48 H new ATOM 0 HB2 ASN A 83 13.268 4.388 -7.676 1.00 0.57 H new ATOM 0 HB3 ASN A 83 12.648 4.312 -6.039 1.00 0.57 H new ATOM 0 HD21 ASN A 83 15.460 2.340 -5.256 1.00 0.89 H new ATOM 0 HD22 ASN A 83 14.607 3.873 -5.048 1.00 0.89 H new ATOM 756 N THR A 84 10.324 4.819 -8.551 1.00 0.44 N ATOM 757 CA THR A 84 9.257 5.794 -8.712 1.00 0.42 C ATOM 758 C THR A 84 7.889 5.122 -8.563 1.00 0.35 C ATOM 759 O THR A 84 6.970 5.663 -7.940 1.00 0.35 O ATOM 760 CB THR A 84 9.342 6.459 -10.099 1.00 0.48 C ATOM 761 OG1 THR A 84 10.706 6.467 -10.540 1.00 0.59 O ATOM 762 CG2 THR A 84 8.816 7.885 -10.050 1.00 0.46 C ATOM 0 H THR A 84 10.939 4.734 -9.360 1.00 0.44 H new ATOM 0 HA THR A 84 9.374 6.552 -7.937 1.00 0.42 H new ATOM 0 HB THR A 84 8.728 5.888 -10.796 1.00 0.48 H new ATOM 0 HG1 THR A 84 10.762 6.888 -11.423 1.00 0.59 H new ATOM 0 HG21 THR A 84 8.887 8.333 -11.041 1.00 0.46 H new ATOM 0 HG22 THR A 84 7.775 7.878 -9.728 1.00 0.46 H new ATOM 0 HG23 THR A 84 9.409 8.468 -9.345 1.00 0.46 H new ATOM 770 N VAL A 85 7.784 3.913 -9.098 1.00 0.34 N ATOM 771 CA VAL A 85 6.540 3.167 -9.081 1.00 0.31 C ATOM 772 C VAL A 85 6.324 2.611 -7.687 1.00 0.27 C ATOM 773 O VAL A 85 5.221 2.628 -7.161 1.00 0.29 O ATOM 774 CB VAL A 85 6.581 2.018 -10.115 1.00 0.33 C ATOM 775 CG1 VAL A 85 5.285 1.227 -10.127 1.00 0.36 C ATOM 776 CG2 VAL A 85 6.880 2.562 -11.503 1.00 0.40 C ATOM 0 H VAL A 85 8.556 3.427 -9.553 1.00 0.34 H new ATOM 0 HA VAL A 85 5.716 3.829 -9.347 1.00 0.31 H new ATOM 0 HB VAL A 85 7.381 1.339 -9.820 1.00 0.33 H new ATOM 0 HG11 VAL A 85 5.353 0.429 -10.866 1.00 0.36 H new ATOM 0 HG12 VAL A 85 5.113 0.795 -9.141 1.00 0.36 H new ATOM 0 HG13 VAL A 85 4.457 1.889 -10.382 1.00 0.36 H new ATOM 0 HG21 VAL A 85 6.905 1.740 -12.218 1.00 0.40 H new ATOM 0 HG22 VAL A 85 6.103 3.270 -11.791 1.00 0.40 H new ATOM 0 HG23 VAL A 85 7.846 3.066 -11.496 1.00 0.40 H new ATOM 786 N LEU A 86 7.414 2.158 -7.091 1.00 0.25 N ATOM 787 CA LEU A 86 7.421 1.654 -5.724 1.00 0.24 C ATOM 788 C LEU A 86 6.989 2.730 -4.740 1.00 0.25 C ATOM 789 O LEU A 86 6.198 2.474 -3.837 1.00 0.27 O ATOM 790 CB LEU A 86 8.823 1.166 -5.373 1.00 0.26 C ATOM 791 CG LEU A 86 9.191 -0.238 -5.871 1.00 0.41 C ATOM 792 CD1 LEU A 86 8.677 -0.500 -7.271 1.00 1.25 C ATOM 793 CD2 LEU A 86 10.699 -0.438 -5.819 1.00 1.23 C ATOM 0 H LEU A 86 8.327 2.129 -7.544 1.00 0.25 H new ATOM 0 HA LEU A 86 6.712 0.829 -5.655 1.00 0.24 H new ATOM 0 HB2 LEU A 86 9.545 1.875 -5.779 1.00 0.26 H new ATOM 0 HB3 LEU A 86 8.932 1.185 -4.289 1.00 0.26 H new ATOM 0 HG LEU A 86 8.708 -0.955 -5.207 1.00 0.41 H new ATOM 0 HD11 LEU A 86 8.962 -1.506 -7.581 1.00 1.25 H new ATOM 0 HD12 LEU A 86 7.591 -0.410 -7.282 1.00 1.25 H new ATOM 0 HD13 LEU A 86 9.108 0.227 -7.959 1.00 1.25 H new ATOM 0 HD21 LEU A 86 10.946 -1.438 -6.175 1.00 1.23 H new ATOM 0 HD22 LEU A 86 11.186 0.303 -6.452 1.00 1.23 H new ATOM 0 HD23 LEU A 86 11.046 -0.322 -4.792 1.00 1.23 H new ATOM 805 N GLY A 87 7.524 3.933 -4.913 1.00 0.28 N ATOM 806 CA GLY A 87 7.127 5.049 -4.082 1.00 0.32 C ATOM 807 C GLY A 87 5.656 5.372 -4.240 1.00 0.31 C ATOM 808 O GLY A 87 4.978 5.731 -3.282 1.00 0.34 O ATOM 0 H GLY A 87 8.228 4.154 -5.617 1.00 0.28 H new ATOM 0 HA2 GLY A 87 7.338 4.818 -3.038 1.00 0.32 H new ATOM 0 HA3 GLY A 87 7.721 5.925 -4.341 1.00 0.32 H new ATOM 812 N LYS A 88 5.153 5.208 -5.450 1.00 0.29 N ATOM 813 CA LYS A 88 3.755 5.484 -5.738 1.00 0.32 C ATOM 814 C LYS A 88 2.867 4.415 -5.100 1.00 0.31 C ATOM 815 O LYS A 88 1.864 4.722 -4.450 1.00 0.33 O ATOM 816 CB LYS A 88 3.551 5.541 -7.257 1.00 0.37 C ATOM 817 CG LYS A 88 2.112 5.755 -7.686 1.00 1.10 C ATOM 818 CD LYS A 88 1.994 5.842 -9.199 1.00 1.05 C ATOM 819 CE LYS A 88 2.460 7.188 -9.731 1.00 0.68 C ATOM 820 NZ LYS A 88 2.258 7.297 -11.201 1.00 1.16 N ATOM 0 H LYS A 88 5.693 4.884 -6.252 1.00 0.29 H new ATOM 0 HA LYS A 88 3.474 6.448 -5.314 1.00 0.32 H new ATOM 0 HB2 LYS A 88 4.163 6.346 -7.664 1.00 0.37 H new ATOM 0 HB3 LYS A 88 3.914 4.612 -7.696 1.00 0.37 H new ATOM 0 HG2 LYS A 88 1.495 4.936 -7.317 1.00 1.10 H new ATOM 0 HG3 LYS A 88 1.728 6.671 -7.236 1.00 1.10 H new ATOM 0 HD2 LYS A 88 2.585 5.048 -9.655 1.00 1.05 H new ATOM 0 HD3 LYS A 88 0.957 5.676 -9.492 1.00 1.05 H new ATOM 0 HE2 LYS A 88 1.915 7.987 -9.228 1.00 0.68 H new ATOM 0 HE3 LYS A 88 3.516 7.326 -9.497 1.00 0.68 H new ATOM 0 HZ1 LYS A 88 2.258 8.299 -11.478 1.00 1.16 H new ATOM 0 HZ2 LYS A 88 3.027 6.801 -11.695 1.00 1.16 H new ATOM 0 HZ3 LYS A 88 1.347 6.867 -11.459 1.00 1.16 H new ATOM 834 N ILE A 89 3.271 3.162 -5.266 1.00 0.28 N ATOM 835 CA ILE A 89 2.556 2.027 -4.700 1.00 0.30 C ATOM 836 C ILE A 89 2.522 2.116 -3.182 1.00 0.28 C ATOM 837 O ILE A 89 1.461 2.013 -2.565 1.00 0.30 O ATOM 838 CB ILE A 89 3.224 0.696 -5.108 1.00 0.31 C ATOM 839 CG1 ILE A 89 3.162 0.502 -6.627 1.00 0.37 C ATOM 840 CG2 ILE A 89 2.571 -0.474 -4.390 1.00 0.34 C ATOM 841 CD1 ILE A 89 3.829 -0.769 -7.113 1.00 0.89 C ATOM 0 H ILE A 89 4.103 2.905 -5.797 1.00 0.28 H new ATOM 0 HA ILE A 89 1.538 2.054 -5.090 1.00 0.30 H new ATOM 0 HB ILE A 89 4.272 0.736 -4.812 1.00 0.31 H new ATOM 0 HG12 ILE A 89 2.118 0.495 -6.940 1.00 0.37 H new ATOM 0 HG13 ILE A 89 3.634 1.356 -7.112 1.00 0.37 H new ATOM 0 HG21 ILE A 89 3.056 -1.402 -4.691 1.00 0.34 H new ATOM 0 HG22 ILE A 89 2.675 -0.343 -3.313 1.00 0.34 H new ATOM 0 HG23 ILE A 89 1.513 -0.516 -4.650 1.00 0.34 H new ATOM 0 HD11 ILE A 89 3.743 -0.833 -8.198 1.00 0.89 H new ATOM 0 HD12 ILE A 89 4.882 -0.757 -6.833 1.00 0.89 H new ATOM 0 HD13 ILE A 89 3.342 -1.632 -6.658 1.00 0.89 H new ATOM 853 N TRP A 90 3.691 2.320 -2.587 1.00 0.25 N ATOM 854 CA TRP A 90 3.803 2.401 -1.136 1.00 0.25 C ATOM 855 C TRP A 90 2.964 3.549 -0.596 1.00 0.28 C ATOM 856 O TRP A 90 2.275 3.398 0.405 1.00 0.33 O ATOM 857 CB TRP A 90 5.265 2.584 -0.708 1.00 0.22 C ATOM 858 CG TRP A 90 5.454 2.632 0.788 1.00 0.22 C ATOM 859 CD1 TRP A 90 5.185 3.685 1.619 1.00 0.25 C ATOM 860 CD2 TRP A 90 5.967 1.588 1.626 1.00 0.24 C ATOM 861 NE1 TRP A 90 5.479 3.351 2.918 1.00 0.27 N ATOM 862 CE2 TRP A 90 5.961 2.073 2.949 1.00 0.27 C ATOM 863 CE3 TRP A 90 6.421 0.291 1.388 1.00 0.29 C ATOM 864 CZ2 TRP A 90 6.399 1.305 4.026 1.00 0.31 C ATOM 865 CZ3 TRP A 90 6.855 -0.468 2.457 1.00 0.35 C ATOM 866 CH2 TRP A 90 6.840 0.039 3.761 1.00 0.35 C ATOM 0 H TRP A 90 4.574 2.432 -3.086 1.00 0.25 H new ATOM 0 HA TRP A 90 3.431 1.464 -0.722 1.00 0.25 H new ATOM 0 HB2 TRP A 90 5.859 1.766 -1.115 1.00 0.22 H new ATOM 0 HB3 TRP A 90 5.650 3.506 -1.144 1.00 0.22 H new ATOM 0 HD1 TRP A 90 4.797 4.641 1.299 1.00 0.25 H new ATOM 0 HE1 TRP A 90 5.357 3.958 3.728 1.00 0.27 H new ATOM 0 HE3 TRP A 90 6.433 -0.112 0.386 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 6.390 1.696 5.033 1.00 0.31 H new ATOM 0 HZ3 TRP A 90 7.213 -1.472 2.283 1.00 0.35 H new ATOM 0 HH2 TRP A 90 7.184 -0.583 4.574 1.00 0.35 H new ATOM 877 N LYS A 91 3.016 4.692 -1.266 1.00 0.30 N ATOM 878 CA LYS A 91 2.335 5.879 -0.773 1.00 0.37 C ATOM 879 C LYS A 91 0.821 5.723 -0.859 1.00 0.37 C ATOM 880 O LYS A 91 0.082 6.364 -0.110 1.00 0.43 O ATOM 881 CB LYS A 91 2.799 7.125 -1.531 1.00 0.45 C ATOM 882 CG LYS A 91 2.352 8.420 -0.872 1.00 0.62 C ATOM 883 CD LYS A 91 2.944 9.649 -1.545 1.00 1.19 C ATOM 884 CE LYS A 91 2.489 9.783 -2.986 1.00 1.38 C ATOM 885 NZ LYS A 91 2.918 11.076 -3.575 1.00 1.16 N ATOM 0 H LYS A 91 3.518 4.821 -2.144 1.00 0.30 H new ATOM 0 HA LYS A 91 2.597 6.002 0.278 1.00 0.37 H new ATOM 0 HB2 LYS A 91 3.887 7.116 -1.603 1.00 0.45 H new ATOM 0 HB3 LYS A 91 2.412 7.089 -2.549 1.00 0.45 H new ATOM 0 HG2 LYS A 91 1.264 8.482 -0.901 1.00 0.62 H new ATOM 0 HG3 LYS A 91 2.643 8.409 0.178 1.00 0.62 H new ATOM 0 HD2 LYS A 91 2.655 10.541 -0.989 1.00 1.19 H new ATOM 0 HD3 LYS A 91 4.032 9.591 -1.512 1.00 1.19 H new ATOM 0 HE2 LYS A 91 2.896 8.961 -3.575 1.00 1.38 H new ATOM 0 HE3 LYS A 91 1.403 9.703 -3.035 1.00 1.38 H new ATOM 0 HZ1 LYS A 91 2.590 11.134 -4.560 1.00 1.16 H new ATOM 0 HZ2 LYS A 91 2.509 11.860 -3.027 1.00 1.16 H new ATOM 0 HZ3 LYS A 91 3.956 11.141 -3.551 1.00 1.16 H new ATOM 899 N LEU A 92 0.357 4.875 -1.773 1.00 0.34 N ATOM 900 CA LEU A 92 -1.063 4.532 -1.831 1.00 0.37 C ATOM 901 C LEU A 92 -1.419 3.593 -0.689 1.00 0.35 C ATOM 902 O LEU A 92 -2.445 3.750 -0.027 1.00 0.37 O ATOM 903 CB LEU A 92 -1.432 3.865 -3.157 1.00 0.43 C ATOM 904 CG LEU A 92 -1.428 4.774 -4.396 1.00 0.59 C ATOM 905 CD1 LEU A 92 -2.709 4.566 -5.179 1.00 1.53 C ATOM 906 CD2 LEU A 92 -1.276 6.245 -4.024 1.00 1.21 C ATOM 0 H LEU A 92 0.935 4.416 -2.477 1.00 0.34 H new ATOM 0 HA LEU A 92 -1.626 5.461 -1.744 1.00 0.37 H new ATOM 0 HB2 LEU A 92 -0.738 3.043 -3.332 1.00 0.43 H new ATOM 0 HB3 LEU A 92 -2.425 3.427 -3.056 1.00 0.43 H new ATOM 0 HG LEU A 92 -0.568 4.503 -5.009 1.00 0.59 H new ATOM 0 HD11 LEU A 92 -2.707 5.211 -6.058 1.00 1.53 H new ATOM 0 HD12 LEU A 92 -2.779 3.524 -5.493 1.00 1.53 H new ATOM 0 HD13 LEU A 92 -3.564 4.813 -4.550 1.00 1.53 H new ATOM 0 HD21 LEU A 92 -1.278 6.851 -4.930 1.00 1.21 H new ATOM 0 HD22 LEU A 92 -2.105 6.546 -3.384 1.00 1.21 H new ATOM 0 HD23 LEU A 92 -0.336 6.391 -3.492 1.00 1.21 H new ATOM 918 N ALA A 93 -0.553 2.614 -0.473 1.00 0.35 N ATOM 919 CA ALA A 93 -0.762 1.611 0.556 1.00 0.39 C ATOM 920 C ALA A 93 -0.687 2.220 1.949 1.00 0.35 C ATOM 921 O ALA A 93 -1.502 1.916 2.821 1.00 0.40 O ATOM 922 CB ALA A 93 0.278 0.518 0.412 1.00 0.43 C ATOM 0 H ALA A 93 0.310 2.494 -1.004 1.00 0.35 H new ATOM 0 HA ALA A 93 -1.760 1.191 0.429 1.00 0.39 H new ATOM 0 HB1 ALA A 93 0.123 -0.236 1.184 1.00 0.43 H new ATOM 0 HB2 ALA A 93 0.186 0.056 -0.571 1.00 0.43 H new ATOM 0 HB3 ALA A 93 1.274 0.947 0.519 1.00 0.43 H new ATOM 928 N ASP A 94 0.287 3.094 2.145 1.00 0.30 N ATOM 929 CA ASP A 94 0.502 3.724 3.443 1.00 0.32 C ATOM 930 C ASP A 94 -0.188 5.078 3.466 1.00 0.35 C ATOM 931 O ASP A 94 0.445 6.127 3.593 1.00 0.46 O ATOM 932 CB ASP A 94 2.002 3.861 3.754 1.00 0.35 C ATOM 933 CG ASP A 94 2.267 4.316 5.182 1.00 0.42 C ATOM 934 OD1 ASP A 94 1.511 3.905 6.102 1.00 0.59 O ATOM 935 OD2 ASP A 94 3.239 5.068 5.404 1.00 0.56 O ATOM 0 H ASP A 94 0.944 3.386 1.421 1.00 0.30 H new ATOM 0 HA ASP A 94 0.071 3.092 4.219 1.00 0.32 H new ATOM 0 HB2 ASP A 94 2.493 2.902 3.586 1.00 0.35 H new ATOM 0 HB3 ASP A 94 2.449 4.574 3.061 1.00 0.35 H new ATOM 940 N VAL A 95 -1.502 5.028 3.316 1.00 0.42 N ATOM 941 CA VAL A 95 -2.340 6.219 3.266 1.00 0.51 C ATOM 942 C VAL A 95 -2.314 6.980 4.590 1.00 0.59 C ATOM 943 O VAL A 95 -2.499 8.200 4.630 1.00 0.74 O ATOM 944 CB VAL A 95 -3.790 5.833 2.904 1.00 0.60 C ATOM 945 CG1 VAL A 95 -4.290 4.720 3.808 1.00 1.15 C ATOM 946 CG2 VAL A 95 -4.720 7.036 2.958 1.00 1.49 C ATOM 0 H VAL A 95 -2.022 4.155 3.225 1.00 0.42 H new ATOM 0 HA VAL A 95 -1.939 6.877 2.495 1.00 0.51 H new ATOM 0 HB VAL A 95 -3.789 5.468 1.877 1.00 0.60 H new ATOM 0 HG11 VAL A 95 -5.314 4.463 3.536 1.00 1.15 H new ATOM 0 HG12 VAL A 95 -3.653 3.843 3.692 1.00 1.15 H new ATOM 0 HG13 VAL A 95 -4.263 5.054 4.845 1.00 1.15 H new ATOM 0 HG21 VAL A 95 -5.732 6.726 2.697 1.00 1.49 H new ATOM 0 HG22 VAL A 95 -4.717 7.454 3.965 1.00 1.49 H new ATOM 0 HG23 VAL A 95 -4.379 7.792 2.251 1.00 1.49 H new ATOM 956 N ASP A 96 -2.085 6.253 5.673 1.00 0.59 N ATOM 957 CA ASP A 96 -2.036 6.852 7.003 1.00 0.69 C ATOM 958 C ASP A 96 -0.640 7.368 7.341 1.00 0.53 C ATOM 959 O ASP A 96 -0.466 8.098 8.319 1.00 0.57 O ATOM 960 CB ASP A 96 -2.512 5.860 8.076 1.00 0.88 C ATOM 961 CG ASP A 96 -1.893 4.477 7.949 1.00 0.93 C ATOM 962 OD1 ASP A 96 -0.662 4.369 7.744 1.00 1.02 O ATOM 963 OD2 ASP A 96 -2.638 3.482 8.048 1.00 1.45 O ATOM 0 H ASP A 96 -1.930 5.245 5.659 1.00 0.59 H new ATOM 0 HA ASP A 96 -2.715 7.705 6.993 1.00 0.69 H new ATOM 0 HB2 ASP A 96 -2.278 6.264 9.061 1.00 0.88 H new ATOM 0 HB3 ASP A 96 -3.597 5.769 8.018 1.00 0.88 H new ATOM 968 N LYS A 97 0.342 7.007 6.514 1.00 0.43 N ATOM 969 CA LYS A 97 1.727 7.448 6.690 1.00 0.47 C ATOM 970 C LYS A 97 2.275 7.083 8.070 1.00 0.49 C ATOM 971 O LYS A 97 2.421 7.944 8.943 1.00 0.66 O ATOM 972 CB LYS A 97 1.873 8.958 6.462 1.00 0.63 C ATOM 973 CG LYS A 97 1.896 9.381 5.000 1.00 0.67 C ATOM 974 CD LYS A 97 0.555 9.179 4.318 1.00 1.18 C ATOM 975 CE LYS A 97 0.573 9.714 2.894 1.00 1.77 C ATOM 976 NZ LYS A 97 0.688 11.198 2.867 1.00 2.67 N ATOM 0 H LYS A 97 0.201 6.402 5.705 1.00 0.43 H new ATOM 0 HA LYS A 97 2.312 6.920 5.937 1.00 0.47 H new ATOM 0 HB2 LYS A 97 1.049 9.468 6.961 1.00 0.63 H new ATOM 0 HB3 LYS A 97 2.793 9.296 6.939 1.00 0.63 H new ATOM 0 HG2 LYS A 97 2.180 10.431 4.933 1.00 0.67 H new ATOM 0 HG3 LYS A 97 2.659 8.810 4.471 1.00 0.67 H new ATOM 0 HD2 LYS A 97 0.306 8.118 4.307 1.00 1.18 H new ATOM 0 HD3 LYS A 97 -0.225 9.683 4.888 1.00 1.18 H new ATOM 0 HE2 LYS A 97 1.409 9.274 2.350 1.00 1.77 H new ATOM 0 HE3 LYS A 97 -0.338 9.410 2.379 1.00 1.77 H new ATOM 0 HZ1 LYS A 97 0.445 11.548 1.918 1.00 2.67 H new ATOM 0 HZ2 LYS A 97 0.036 11.609 3.565 1.00 2.67 H new ATOM 0 HZ3 LYS A 97 1.663 11.475 3.099 1.00 2.67 H new ATOM 990 N ASP A 98 2.563 5.807 8.272 1.00 0.46 N ATOM 991 CA ASP A 98 3.116 5.352 9.544 1.00 0.51 C ATOM 992 C ASP A 98 4.478 4.698 9.338 1.00 0.43 C ATOM 993 O ASP A 98 5.278 4.605 10.271 1.00 0.49 O ATOM 994 CB ASP A 98 2.164 4.387 10.264 1.00 0.65 C ATOM 995 CG ASP A 98 2.072 3.023 9.610 1.00 0.56 C ATOM 996 OD1 ASP A 98 1.405 2.903 8.562 1.00 0.70 O ATOM 997 OD2 ASP A 98 2.643 2.057 10.151 1.00 1.13 O ATOM 0 H ASP A 98 2.426 5.071 7.579 1.00 0.46 H new ATOM 0 HA ASP A 98 3.241 6.231 10.177 1.00 0.51 H new ATOM 0 HB2 ASP A 98 2.496 4.264 11.295 1.00 0.65 H new ATOM 0 HB3 ASP A 98 1.169 4.831 10.300 1.00 0.65 H new ATOM 1002 N GLY A 99 4.744 4.257 8.115 1.00 0.40 N ATOM 1003 CA GLY A 99 6.042 3.693 7.797 1.00 0.43 C ATOM 1004 C GLY A 99 6.052 2.176 7.775 1.00 0.35 C ATOM 1005 O GLY A 99 6.955 1.568 7.203 1.00 0.40 O ATOM 0 H GLY A 99 4.084 4.280 7.337 1.00 0.40 H new ATOM 0 HA2 GLY A 99 6.363 4.065 6.824 1.00 0.43 H new ATOM 0 HA3 GLY A 99 6.771 4.043 8.528 1.00 0.43 H new ATOM 1009 N LEU A 100 5.059 1.558 8.400 1.00 0.33 N ATOM 1010 CA LEU A 100 4.968 0.104 8.432 1.00 0.30 C ATOM 1011 C LEU A 100 3.801 -0.361 7.583 1.00 0.31 C ATOM 1012 O LEU A 100 2.960 0.442 7.183 1.00 0.40 O ATOM 1013 CB LEU A 100 4.771 -0.399 9.862 1.00 0.30 C ATOM 1014 CG LEU A 100 5.863 -0.020 10.856 1.00 0.33 C ATOM 1015 CD1 LEU A 100 5.490 -0.506 12.245 1.00 0.45 C ATOM 1016 CD2 LEU A 100 7.198 -0.602 10.430 1.00 0.39 C ATOM 0 H LEU A 100 4.306 2.040 8.891 1.00 0.33 H new ATOM 0 HA LEU A 100 5.900 -0.300 8.038 1.00 0.30 H new ATOM 0 HB2 LEU A 100 3.820 -0.017 10.233 1.00 0.30 H new ATOM 0 HB3 LEU A 100 4.690 -1.486 9.837 1.00 0.30 H new ATOM 0 HG LEU A 100 5.957 1.066 10.876 1.00 0.33 H new ATOM 0 HD11 LEU A 100 6.275 -0.231 12.950 1.00 0.45 H new ATOM 0 HD12 LEU A 100 4.550 -0.046 12.551 1.00 0.45 H new ATOM 0 HD13 LEU A 100 5.376 -1.590 12.233 1.00 0.45 H new ATOM 0 HD21 LEU A 100 7.965 -0.321 11.152 1.00 0.39 H new ATOM 0 HD22 LEU A 100 7.123 -1.689 10.385 1.00 0.39 H new ATOM 0 HD23 LEU A 100 7.466 -0.216 9.447 1.00 0.39 H new ATOM 1028 N LEU A 101 3.725 -1.661 7.333 1.00 0.30 N ATOM 1029 CA LEU A 101 2.619 -2.202 6.557 1.00 0.33 C ATOM 1030 C LEU A 101 1.899 -3.296 7.327 1.00 0.29 C ATOM 1031 O LEU A 101 2.480 -4.333 7.635 1.00 0.27 O ATOM 1032 CB LEU A 101 3.087 -2.757 5.208 1.00 0.43 C ATOM 1033 CG LEU A 101 3.669 -1.735 4.224 1.00 0.33 C ATOM 1034 CD1 LEU A 101 4.041 -2.412 2.912 1.00 0.71 C ATOM 1035 CD2 LEU A 101 2.687 -0.597 3.973 1.00 0.43 C ATOM 0 H LEU A 101 4.405 -2.351 7.651 1.00 0.30 H new ATOM 0 HA LEU A 101 1.932 -1.376 6.372 1.00 0.33 H new ATOM 0 HB2 LEU A 101 3.841 -3.522 5.394 1.00 0.43 H new ATOM 0 HB3 LEU A 101 2.242 -3.252 4.729 1.00 0.43 H new ATOM 0 HG LEU A 101 4.570 -1.314 4.669 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.452 -1.673 2.225 1.00 0.71 H new ATOM 0 HD12 LEU A 101 4.785 -3.186 3.100 1.00 0.71 H new ATOM 0 HD13 LEU A 101 3.152 -2.863 2.470 1.00 0.71 H new ATOM 0 HD21 LEU A 101 3.125 0.113 3.272 1.00 0.43 H new ATOM 0 HD22 LEU A 101 1.764 -0.998 3.554 1.00 0.43 H new ATOM 0 HD23 LEU A 101 2.469 -0.091 4.913 1.00 0.43 H new ATOM 1047 N ASP A 102 0.647 -3.039 7.666 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.222 -4.062 8.244 1.00 0.35 C ATOM 1049 C ASP A 102 -0.853 -4.869 7.124 1.00 0.31 C ATOM 1050 O ASP A 102 -0.528 -4.655 5.959 1.00 0.28 O ATOM 1051 CB ASP A 102 -1.301 -3.438 9.138 1.00 0.49 C ATOM 1052 CG ASP A 102 -1.972 -2.237 8.506 1.00 0.75 C ATOM 1053 OD1 ASP A 102 -2.826 -2.420 7.612 1.00 1.01 O ATOM 1054 OD2 ASP A 102 -1.643 -1.102 8.905 1.00 1.42 O ATOM 0 H ASP A 102 0.204 -2.127 7.552 1.00 0.33 H new ATOM 0 HA ASP A 102 0.378 -4.720 8.873 1.00 0.35 H new ATOM 0 HB2 ASP A 102 -2.056 -4.191 9.366 1.00 0.49 H new ATOM 0 HB3 ASP A 102 -0.852 -3.140 10.085 1.00 0.49 H new ATOM 1059 N ASP A 103 -1.744 -5.793 7.461 1.00 0.36 N ATOM 1060 CA ASP A 103 -2.319 -6.679 6.457 1.00 0.37 C ATOM 1061 C ASP A 103 -3.103 -5.881 5.418 1.00 0.34 C ATOM 1062 O ASP A 103 -3.099 -6.223 4.238 1.00 0.36 O ATOM 1063 CB ASP A 103 -3.205 -7.754 7.108 1.00 0.49 C ATOM 1064 CG ASP A 103 -4.591 -7.260 7.487 1.00 0.72 C ATOM 1065 OD1 ASP A 103 -4.735 -6.694 8.590 1.00 1.73 O ATOM 1066 OD2 ASP A 103 -5.527 -7.411 6.673 1.00 0.92 O ATOM 0 H ASP A 103 -2.081 -5.948 8.411 1.00 0.36 H new ATOM 0 HA ASP A 103 -1.500 -7.187 5.948 1.00 0.37 H new ATOM 0 HB2 ASP A 103 -3.304 -8.594 6.421 1.00 0.49 H new ATOM 0 HB3 ASP A 103 -2.707 -8.130 8.002 1.00 0.49 H new ATOM 1071 N GLU A 104 -3.715 -4.785 5.849 1.00 0.33 N ATOM 1072 CA GLU A 104 -4.493 -3.940 4.954 1.00 0.37 C ATOM 1073 C GLU A 104 -3.572 -3.114 4.057 1.00 0.29 C ATOM 1074 O GLU A 104 -3.709 -3.125 2.832 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.416 -3.016 5.755 1.00 0.50 C ATOM 1076 CG GLU A 104 -6.513 -3.751 6.517 1.00 0.89 C ATOM 1077 CD GLU A 104 -7.373 -2.824 7.359 1.00 1.08 C ATOM 1078 OE1 GLU A 104 -8.381 -2.302 6.831 1.00 1.53 O ATOM 1079 OE2 GLU A 104 -7.050 -2.612 8.549 1.00 1.50 O ATOM 0 H GLU A 104 -3.687 -4.461 6.816 1.00 0.33 H new ATOM 0 HA GLU A 104 -5.105 -4.585 4.324 1.00 0.37 H new ATOM 0 HB2 GLU A 104 -4.816 -2.444 6.463 1.00 0.50 H new ATOM 0 HB3 GLU A 104 -5.877 -2.300 5.075 1.00 0.50 H new ATOM 0 HG2 GLU A 104 -7.148 -4.282 5.807 1.00 0.89 H new ATOM 0 HG3 GLU A 104 -6.059 -4.503 7.163 1.00 0.89 H new ATOM 1086 N GLU A 105 -2.627 -2.410 4.671 1.00 0.27 N ATOM 1087 CA GLU A 105 -1.701 -1.560 3.928 1.00 0.26 C ATOM 1088 C GLU A 105 -0.845 -2.373 2.960 1.00 0.22 C ATOM 1089 O GLU A 105 -0.712 -2.013 1.793 1.00 0.22 O ATOM 1090 CB GLU A 105 -0.809 -0.770 4.883 1.00 0.36 C ATOM 1091 CG GLU A 105 -1.581 0.178 5.779 1.00 0.75 C ATOM 1092 CD GLU A 105 -0.698 1.220 6.424 1.00 0.69 C ATOM 1093 OE1 GLU A 105 -0.022 0.927 7.419 1.00 0.76 O ATOM 1094 OE2 GLU A 105 -0.672 2.367 5.950 1.00 0.82 O ATOM 0 H GLU A 105 -2.481 -2.411 5.681 1.00 0.27 H new ATOM 0 HA GLU A 105 -2.299 -0.861 3.343 1.00 0.26 H new ATOM 0 HB2 GLU A 105 -0.246 -1.467 5.503 1.00 0.36 H new ATOM 0 HB3 GLU A 105 -0.083 -0.200 4.303 1.00 0.36 H new ATOM 0 HG2 GLU A 105 -2.355 0.675 5.194 1.00 0.75 H new ATOM 0 HG3 GLU A 105 -2.087 -0.395 6.556 1.00 0.75 H new ATOM 1101 N PHE A 106 -0.277 -3.473 3.436 1.00 0.24 N ATOM 1102 CA PHE A 106 0.569 -4.309 2.592 1.00 0.26 C ATOM 1103 C PHE A 106 -0.240 -4.902 1.450 1.00 0.29 C ATOM 1104 O PHE A 106 0.249 -5.031 0.326 1.00 0.31 O ATOM 1105 CB PHE A 106 1.221 -5.429 3.399 1.00 0.28 C ATOM 1106 CG PHE A 106 2.079 -6.334 2.564 1.00 0.26 C ATOM 1107 CD1 PHE A 106 3.347 -5.943 2.180 1.00 0.26 C ATOM 1108 CD2 PHE A 106 1.616 -7.577 2.171 1.00 0.35 C ATOM 1109 CE1 PHE A 106 4.140 -6.771 1.419 1.00 0.26 C ATOM 1110 CE2 PHE A 106 2.404 -8.412 1.407 1.00 0.37 C ATOM 1111 CZ PHE A 106 3.656 -8.007 1.016 1.00 0.28 C ATOM 0 H PHE A 106 -0.385 -3.806 4.394 1.00 0.24 H new ATOM 0 HA PHE A 106 1.357 -3.676 2.183 1.00 0.26 H new ATOM 0 HB2 PHE A 106 1.828 -4.992 4.191 1.00 0.28 H new ATOM 0 HB3 PHE A 106 0.443 -6.020 3.883 1.00 0.28 H new ATOM 0 HD1 PHE A 106 3.721 -4.975 2.481 1.00 0.26 H new ATOM 0 HD2 PHE A 106 0.627 -7.897 2.466 1.00 0.35 H new ATOM 0 HE1 PHE A 106 5.135 -6.460 1.137 1.00 0.26 H new ATOM 0 HE2 PHE A 106 2.036 -9.385 1.116 1.00 0.37 H new ATOM 0 HZ PHE A 106 4.263 -8.650 0.396 1.00 0.28 H new ATOM 1121 N ALA A 107 -1.479 -5.254 1.744 1.00 0.35 N ATOM 1122 CA ALA A 107 -2.371 -5.783 0.730 1.00 0.41 C ATOM 1123 C ALA A 107 -2.609 -4.754 -0.372 1.00 0.38 C ATOM 1124 O ALA A 107 -2.668 -5.097 -1.552 1.00 0.40 O ATOM 1125 CB ALA A 107 -3.680 -6.214 1.358 1.00 0.50 C ATOM 0 H ALA A 107 -1.889 -5.183 2.675 1.00 0.35 H new ATOM 0 HA ALA A 107 -1.902 -6.656 0.276 1.00 0.41 H new ATOM 0 HB1 ALA A 107 -4.341 -6.609 0.587 1.00 0.50 H new ATOM 0 HB2 ALA A 107 -3.489 -6.986 2.103 1.00 0.50 H new ATOM 0 HB3 ALA A 107 -4.153 -5.357 1.837 1.00 0.50 H new ATOM 1131 N LEU A 108 -2.737 -3.490 0.018 1.00 0.34 N ATOM 1132 CA LEU A 108 -2.855 -2.404 -0.947 1.00 0.34 C ATOM 1133 C LEU A 108 -1.581 -2.283 -1.779 1.00 0.27 C ATOM 1134 O LEU A 108 -1.641 -2.102 -2.995 1.00 0.27 O ATOM 1135 CB LEU A 108 -3.171 -1.086 -0.237 1.00 0.40 C ATOM 1136 CG LEU A 108 -4.642 -0.909 0.143 1.00 0.61 C ATOM 1137 CD1 LEU A 108 -4.806 0.210 1.157 1.00 1.23 C ATOM 1138 CD2 LEU A 108 -5.474 -0.612 -1.095 1.00 1.32 C ATOM 0 H LEU A 108 -2.762 -3.193 0.994 1.00 0.34 H new ATOM 0 HA LEU A 108 -3.680 -2.631 -1.623 1.00 0.34 H new ATOM 0 HB2 LEU A 108 -2.565 -1.020 0.666 1.00 0.40 H new ATOM 0 HB3 LEU A 108 -2.873 -0.259 -0.882 1.00 0.40 H new ATOM 0 HG LEU A 108 -4.991 -1.838 0.593 1.00 0.61 H new ATOM 0 HD11 LEU A 108 -5.860 0.318 1.413 1.00 1.23 H new ATOM 0 HD12 LEU A 108 -4.237 -0.027 2.056 1.00 1.23 H new ATOM 0 HD13 LEU A 108 -4.439 1.144 0.731 1.00 1.23 H new ATOM 0 HD21 LEU A 108 -6.519 -0.488 -0.810 1.00 1.32 H new ATOM 0 HD22 LEU A 108 -5.115 0.304 -1.564 1.00 1.32 H new ATOM 0 HD23 LEU A 108 -5.386 -1.439 -1.800 1.00 1.32 H new ATOM 1150 N ALA A 109 -0.432 -2.416 -1.124 1.00 0.23 N ATOM 1151 CA ALA A 109 0.848 -2.401 -1.825 1.00 0.24 C ATOM 1152 C ALA A 109 0.860 -3.453 -2.923 1.00 0.26 C ATOM 1153 O ALA A 109 1.114 -3.155 -4.091 1.00 0.26 O ATOM 1154 CB ALA A 109 2.001 -2.643 -0.853 1.00 0.26 C ATOM 0 H ALA A 109 -0.360 -2.535 -0.113 1.00 0.23 H new ATOM 0 HA ALA A 109 0.979 -1.417 -2.276 1.00 0.24 H new ATOM 0 HB1 ALA A 109 2.945 -2.628 -1.397 1.00 0.26 H new ATOM 0 HB2 ALA A 109 2.007 -1.861 -0.094 1.00 0.26 H new ATOM 0 HB3 ALA A 109 1.875 -3.613 -0.373 1.00 0.26 H new ATOM 1160 N ASN A 110 0.529 -4.679 -2.551 1.00 0.31 N ATOM 1161 CA ASN A 110 0.548 -5.781 -3.497 1.00 0.37 C ATOM 1162 C ASN A 110 -0.560 -5.628 -4.533 1.00 0.35 C ATOM 1163 O ASN A 110 -0.480 -6.194 -5.622 1.00 0.38 O ATOM 1164 CB ASN A 110 0.423 -7.119 -2.768 1.00 0.45 C ATOM 1165 CG ASN A 110 1.713 -7.549 -2.090 1.00 0.52 C ATOM 1166 OD1 ASN A 110 1.952 -8.737 -1.892 1.00 1.36 O ATOM 1167 ND2 ASN A 110 2.563 -6.592 -1.739 1.00 0.83 N ATOM 0 H ASN A 110 0.245 -4.935 -1.605 1.00 0.31 H new ATOM 0 HA ASN A 110 1.505 -5.762 -4.019 1.00 0.37 H new ATOM 0 HB2 ASN A 110 -0.367 -7.047 -2.021 1.00 0.45 H new ATOM 0 HB3 ASN A 110 0.120 -7.887 -3.479 1.00 0.45 H new ATOM 0 HD21 ASN A 110 3.446 -6.834 -1.290 1.00 0.83 H new ATOM 0 HD22 ASN A 110 2.333 -5.615 -1.918 1.00 0.83 H new ATOM 1174 N HIS A 111 -1.592 -4.855 -4.194 1.00 0.35 N ATOM 1175 CA HIS A 111 -2.652 -4.541 -5.143 1.00 0.37 C ATOM 1176 C HIS A 111 -2.070 -3.815 -6.331 1.00 0.31 C ATOM 1177 O HIS A 111 -2.141 -4.288 -7.463 1.00 0.36 O ATOM 1178 CB HIS A 111 -3.718 -3.637 -4.527 1.00 0.48 C ATOM 1179 CG HIS A 111 -5.018 -3.709 -5.263 1.00 0.53 C ATOM 1180 ND1 HIS A 111 -5.550 -4.890 -5.733 1.00 0.60 N ATOM 1181 CD2 HIS A 111 -5.863 -2.732 -5.663 1.00 0.57 C ATOM 1182 CE1 HIS A 111 -6.659 -4.635 -6.400 1.00 0.67 C ATOM 1183 NE2 HIS A 111 -6.875 -3.333 -6.371 1.00 0.66 N ATOM 0 H HIS A 111 -1.713 -4.437 -3.271 1.00 0.35 H new ATOM 0 HA HIS A 111 -3.109 -5.485 -5.438 1.00 0.37 H new ATOM 0 HB2 HIS A 111 -3.876 -3.922 -3.487 1.00 0.48 H new ATOM 0 HB3 HIS A 111 -3.361 -2.607 -4.525 1.00 0.48 H new ATOM 0 HD1 HIS A 111 -5.149 -5.817 -5.588 1.00 0.60 H new ATOM 0 HD2 HIS A 111 -5.761 -1.676 -5.463 1.00 0.57 H new ATOM 0 HE1 HIS A 111 -7.285 -5.368 -6.888 1.00 0.67 H new ATOM 1192 N LEU A 112 -1.489 -2.658 -6.044 1.00 0.25 N ATOM 1193 CA LEU A 112 -0.936 -1.795 -7.064 1.00 0.24 C ATOM 1194 C LEU A 112 0.166 -2.511 -7.839 1.00 0.25 C ATOM 1195 O LEU A 112 0.311 -2.317 -9.049 1.00 0.29 O ATOM 1196 CB LEU A 112 -0.409 -0.514 -6.416 1.00 0.25 C ATOM 1197 CG LEU A 112 -1.468 0.506 -5.973 1.00 0.33 C ATOM 1198 CD1 LEU A 112 -2.238 1.042 -7.168 1.00 0.89 C ATOM 1199 CD2 LEU A 112 -2.423 -0.052 -4.937 1.00 0.57 C ATOM 0 H LEU A 112 -1.391 -2.296 -5.095 1.00 0.25 H new ATOM 0 HA LEU A 112 -1.720 -1.533 -7.775 1.00 0.24 H new ATOM 0 HB2 LEU A 112 0.186 -0.790 -5.546 1.00 0.25 H new ATOM 0 HB3 LEU A 112 0.264 -0.025 -7.120 1.00 0.25 H new ATOM 0 HG LEU A 112 -0.928 1.326 -5.500 1.00 0.33 H new ATOM 0 HD11 LEU A 112 -2.982 1.762 -6.828 1.00 0.89 H new ATOM 0 HD12 LEU A 112 -1.548 1.530 -7.856 1.00 0.89 H new ATOM 0 HD13 LEU A 112 -2.737 0.218 -7.678 1.00 0.89 H new ATOM 0 HD21 LEU A 112 -3.149 0.713 -4.662 1.00 0.57 H new ATOM 0 HD22 LEU A 112 -2.945 -0.915 -5.351 1.00 0.57 H new ATOM 0 HD23 LEU A 112 -1.863 -0.356 -4.052 1.00 0.57 H new ATOM 1211 N ILE A 113 0.923 -3.357 -7.141 1.00 0.27 N ATOM 1212 CA ILE A 113 1.933 -4.186 -7.790 1.00 0.34 C ATOM 1213 C ILE A 113 1.285 -5.112 -8.817 1.00 0.37 C ATOM 1214 O ILE A 113 1.754 -5.218 -9.951 1.00 0.43 O ATOM 1215 CB ILE A 113 2.732 -5.031 -6.767 1.00 0.38 C ATOM 1216 CG1 ILE A 113 3.478 -4.107 -5.803 1.00 0.35 C ATOM 1217 CG2 ILE A 113 3.710 -5.957 -7.485 1.00 0.46 C ATOM 1218 CD1 ILE A 113 4.198 -4.827 -4.685 1.00 0.38 C ATOM 0 H ILE A 113 0.855 -3.485 -6.131 1.00 0.27 H new ATOM 0 HA ILE A 113 2.628 -3.511 -8.290 1.00 0.34 H new ATOM 0 HB ILE A 113 2.036 -5.648 -6.198 1.00 0.38 H new ATOM 0 HG12 ILE A 113 4.202 -3.520 -6.368 1.00 0.35 H new ATOM 0 HG13 ILE A 113 2.767 -3.404 -5.369 1.00 0.35 H new ATOM 0 HG21 ILE A 113 4.263 -6.543 -6.750 1.00 0.46 H new ATOM 0 HG22 ILE A 113 3.159 -6.628 -8.144 1.00 0.46 H new ATOM 0 HG23 ILE A 113 4.408 -5.362 -8.074 1.00 0.46 H new ATOM 0 HD11 ILE A 113 4.701 -4.099 -4.048 1.00 0.38 H new ATOM 0 HD12 ILE A 113 3.478 -5.392 -4.093 1.00 0.38 H new ATOM 0 HD13 ILE A 113 4.935 -5.510 -5.107 1.00 0.38 H new ATOM 1230 N LYS A 114 0.197 -5.770 -8.419 1.00 0.36 N ATOM 1231 CA LYS A 114 -0.523 -6.671 -9.313 1.00 0.42 C ATOM 1232 C LYS A 114 -1.100 -5.915 -10.512 1.00 0.36 C ATOM 1233 O LYS A 114 -1.119 -6.431 -11.632 1.00 0.39 O ATOM 1234 CB LYS A 114 -1.638 -7.414 -8.564 1.00 0.52 C ATOM 1235 CG LYS A 114 -2.443 -8.343 -9.463 1.00 0.64 C ATOM 1236 CD LYS A 114 -3.379 -9.244 -8.673 1.00 0.93 C ATOM 1237 CE LYS A 114 -2.607 -10.278 -7.870 1.00 1.55 C ATOM 1238 NZ LYS A 114 -3.504 -11.299 -7.270 1.00 2.07 N ATOM 0 H LYS A 114 -0.204 -5.695 -7.484 1.00 0.36 H new ATOM 0 HA LYS A 114 0.191 -7.406 -9.684 1.00 0.42 H new ATOM 0 HB2 LYS A 114 -1.199 -7.994 -7.752 1.00 0.52 H new ATOM 0 HB3 LYS A 114 -2.310 -6.686 -8.109 1.00 0.52 H new ATOM 0 HG2 LYS A 114 -3.024 -7.749 -10.168 1.00 0.64 H new ATOM 0 HG3 LYS A 114 -1.761 -8.958 -10.050 1.00 0.64 H new ATOM 0 HD2 LYS A 114 -3.987 -8.639 -8.001 1.00 0.93 H new ATOM 0 HD3 LYS A 114 -4.063 -9.748 -9.355 1.00 0.93 H new ATOM 0 HE2 LYS A 114 -1.879 -10.769 -8.516 1.00 1.55 H new ATOM 0 HE3 LYS A 114 -2.046 -9.779 -7.080 1.00 1.55 H new ATOM 0 HZ1 LYS A 114 -2.985 -12.193 -7.155 1.00 2.07 H new ATOM 0 HZ2 LYS A 114 -3.834 -10.968 -6.341 1.00 2.07 H new ATOM 0 HZ3 LYS A 114 -4.322 -11.452 -7.894 1.00 2.07 H new ATOM 1252 N VAL A 115 -1.553 -4.689 -10.284 1.00 0.33 N ATOM 1253 CA VAL A 115 -2.082 -3.867 -11.367 1.00 0.37 C ATOM 1254 C VAL A 115 -0.983 -3.591 -12.391 1.00 0.40 C ATOM 1255 O VAL A 115 -1.229 -3.574 -13.600 1.00 0.43 O ATOM 1256 CB VAL A 115 -2.661 -2.526 -10.860 1.00 0.41 C ATOM 1257 CG1 VAL A 115 -3.432 -1.826 -11.961 1.00 0.50 C ATOM 1258 CG2 VAL A 115 -3.559 -2.742 -9.656 1.00 0.46 C ATOM 0 H VAL A 115 -1.565 -4.244 -9.367 1.00 0.33 H new ATOM 0 HA VAL A 115 -2.897 -4.425 -11.827 1.00 0.37 H new ATOM 0 HB VAL A 115 -1.825 -1.895 -10.559 1.00 0.41 H new ATOM 0 HG11 VAL A 115 -3.831 -0.885 -11.584 1.00 0.50 H new ATOM 0 HG12 VAL A 115 -2.767 -1.627 -12.801 1.00 0.50 H new ATOM 0 HG13 VAL A 115 -4.253 -2.462 -12.291 1.00 0.50 H new ATOM 0 HG21 VAL A 115 -3.953 -1.783 -9.319 1.00 0.46 H new ATOM 0 HG22 VAL A 115 -4.385 -3.397 -9.931 1.00 0.46 H new ATOM 0 HG23 VAL A 115 -2.985 -3.201 -8.851 1.00 0.46 H new ATOM 1268 N LYS A 116 0.239 -3.401 -11.903 1.00 0.44 N ATOM 1269 CA LYS A 116 1.389 -3.228 -12.782 1.00 0.54 C ATOM 1270 C LYS A 116 1.769 -4.543 -13.456 1.00 0.59 C ATOM 1271 O LYS A 116 2.303 -4.540 -14.564 1.00 0.72 O ATOM 1272 CB LYS A 116 2.589 -2.663 -12.021 1.00 0.60 C ATOM 1273 CG LYS A 116 2.648 -1.145 -11.998 1.00 0.93 C ATOM 1274 CD LYS A 116 2.832 -0.576 -13.392 1.00 1.13 C ATOM 1275 CE LYS A 116 2.946 0.933 -13.353 1.00 0.85 C ATOM 1276 NZ LYS A 116 3.253 1.499 -14.693 1.00 1.25 N ATOM 0 H LYS A 116 0.457 -3.363 -10.907 1.00 0.44 H new ATOM 0 HA LYS A 116 1.102 -2.513 -13.553 1.00 0.54 H new ATOM 0 HB2 LYS A 116 2.561 -3.031 -10.995 1.00 0.60 H new ATOM 0 HB3 LYS A 116 3.505 -3.045 -12.472 1.00 0.60 H new ATOM 0 HG2 LYS A 116 1.731 -0.751 -11.561 1.00 0.93 H new ATOM 0 HG3 LYS A 116 3.470 -0.821 -11.360 1.00 0.93 H new ATOM 0 HD2 LYS A 116 3.728 -1.000 -13.846 1.00 1.13 H new ATOM 0 HD3 LYS A 116 1.989 -0.864 -14.020 1.00 1.13 H new ATOM 0 HE2 LYS A 116 2.013 1.358 -12.984 1.00 0.85 H new ATOM 0 HE3 LYS A 116 3.727 1.220 -12.649 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 3.357 2.531 -14.618 1.00 1.25 H new ATOM 0 HZ2 LYS A 116 4.139 1.087 -15.049 1.00 1.25 H new ATOM 0 HZ3 LYS A 116 2.478 1.276 -15.350 1.00 1.25 H new ATOM 1290 N LEU A 117 1.477 -5.660 -12.798 1.00 0.52 N ATOM 1291 CA LEU A 117 1.725 -6.981 -13.375 1.00 0.60 C ATOM 1292 C LEU A 117 0.778 -7.235 -14.544 1.00 0.54 C ATOM 1293 O LEU A 117 1.037 -8.081 -15.401 1.00 0.63 O ATOM 1294 CB LEU A 117 1.569 -8.074 -12.311 1.00 0.66 C ATOM 1295 CG LEU A 117 2.563 -8.000 -11.147 1.00 0.79 C ATOM 1296 CD1 LEU A 117 2.284 -9.108 -10.142 1.00 0.91 C ATOM 1297 CD2 LEU A 117 3.995 -8.091 -11.656 1.00 0.94 C ATOM 0 H LEU A 117 1.068 -5.679 -11.864 1.00 0.52 H new ATOM 0 HA LEU A 117 2.750 -7.008 -13.745 1.00 0.60 H new ATOM 0 HB2 LEU A 117 0.558 -8.024 -11.908 1.00 0.66 H new ATOM 0 HB3 LEU A 117 1.672 -9.046 -12.794 1.00 0.66 H new ATOM 0 HG LEU A 117 2.438 -7.039 -10.649 1.00 0.79 H new ATOM 0 HD11 LEU A 117 2.998 -9.043 -9.321 1.00 0.91 H new ATOM 0 HD12 LEU A 117 1.272 -8.999 -9.752 1.00 0.91 H new ATOM 0 HD13 LEU A 117 2.382 -10.077 -10.632 1.00 0.91 H new ATOM 0 HD21 LEU A 117 4.685 -8.036 -10.814 1.00 0.94 H new ATOM 0 HD22 LEU A 117 4.136 -9.037 -12.180 1.00 0.94 H new ATOM 0 HD23 LEU A 117 4.191 -7.265 -12.340 1.00 0.94 H new ATOM 1309 N GLU A 118 -0.325 -6.495 -14.579 1.00 0.44 N ATOM 1310 CA GLU A 118 -1.226 -6.537 -15.725 1.00 0.46 C ATOM 1311 C GLU A 118 -0.789 -5.528 -16.782 1.00 0.49 C ATOM 1312 O GLU A 118 -1.403 -5.410 -17.844 1.00 0.54 O ATOM 1313 CB GLU A 118 -2.671 -6.244 -15.313 1.00 0.51 C ATOM 1314 CG GLU A 118 -3.252 -7.230 -14.314 1.00 0.63 C ATOM 1315 CD GLU A 118 -4.758 -7.094 -14.190 1.00 0.90 C ATOM 1316 OE1 GLU A 118 -5.226 -6.189 -13.467 1.00 1.17 O ATOM 1317 OE2 GLU A 118 -5.484 -7.893 -14.826 1.00 1.65 O ATOM 0 H GLU A 118 -0.615 -5.863 -13.833 1.00 0.44 H new ATOM 0 HA GLU A 118 -1.181 -7.544 -16.139 1.00 0.46 H new ATOM 0 HB2 GLU A 118 -2.718 -5.242 -14.885 1.00 0.51 H new ATOM 0 HB3 GLU A 118 -3.296 -6.239 -16.206 1.00 0.51 H new ATOM 0 HG2 GLU A 118 -3.004 -8.246 -14.621 1.00 0.63 H new ATOM 0 HG3 GLU A 118 -2.792 -7.071 -13.339 1.00 0.63 H new ATOM 1324 N GLY A 119 0.275 -4.801 -16.479 1.00 0.55 N ATOM 1325 CA GLY A 119 0.776 -3.786 -17.381 1.00 0.66 C ATOM 1326 C GLY A 119 -0.100 -2.562 -17.403 1.00 0.63 C ATOM 1327 O GLY A 119 -0.267 -1.920 -18.438 1.00 0.80 O ATOM 0 H GLY A 119 0.806 -4.898 -15.614 1.00 0.55 H new ATOM 0 HA2 GLY A 119 1.785 -3.503 -17.082 1.00 0.66 H new ATOM 0 HA3 GLY A 119 0.846 -4.199 -18.387 1.00 0.66 H new ATOM 1331 N HIS A 120 -0.659 -2.229 -16.255 1.00 0.58 N ATOM 1332 CA HIS A 120 -1.538 -1.083 -16.157 1.00 0.62 C ATOM 1333 C HIS A 120 -0.823 0.137 -15.596 1.00 0.57 C ATOM 1334 O HIS A 120 0.395 0.136 -15.417 1.00 0.57 O ATOM 1335 CB HIS A 120 -2.750 -1.420 -15.304 1.00 0.66 C ATOM 1336 CG HIS A 120 -3.900 -1.965 -16.089 1.00 0.71 C ATOM 1337 ND1 HIS A 120 -4.735 -1.174 -16.847 1.00 0.94 N ATOM 1338 CD2 HIS A 120 -4.346 -3.233 -16.238 1.00 0.78 C ATOM 1339 CE1 HIS A 120 -5.645 -1.934 -17.430 1.00 1.06 C ATOM 1340 NE2 HIS A 120 -5.432 -3.187 -17.077 1.00 0.95 N ATOM 0 H HIS A 120 -0.520 -2.735 -15.380 1.00 0.58 H new ATOM 0 HA HIS A 120 -1.866 -0.835 -17.167 1.00 0.62 H new ATOM 0 HB2 HIS A 120 -2.460 -2.148 -14.547 1.00 0.66 H new ATOM 0 HB3 HIS A 120 -3.074 -0.523 -14.776 1.00 0.66 H new ATOM 0 HD1 HIS A 120 -4.662 -0.161 -16.943 1.00 0.94 H new ATOM 0 HD2 HIS A 120 -3.926 -4.117 -15.782 1.00 0.78 H new ATOM 0 HE1 HIS A 120 -6.431 -1.588 -18.085 1.00 1.06 H new ATOM 1349 N GLU A 121 -1.598 1.170 -15.320 1.00 0.64 N ATOM 1350 CA GLU A 121 -1.071 2.455 -14.899 1.00 0.69 C ATOM 1351 C GLU A 121 -1.572 2.810 -13.508 1.00 0.65 C ATOM 1352 O GLU A 121 -2.651 2.377 -13.097 1.00 0.72 O ATOM 1353 CB GLU A 121 -1.479 3.551 -15.897 1.00 0.89 C ATOM 1354 CG GLU A 121 -2.976 3.599 -16.209 1.00 1.75 C ATOM 1355 CD GLU A 121 -3.429 2.467 -17.116 1.00 2.84 C ATOM 1356 OE1 GLU A 121 -3.151 2.522 -18.336 1.00 3.29 O ATOM 1357 OE2 GLU A 121 -4.084 1.530 -16.620 1.00 3.60 O ATOM 0 H GLU A 121 -2.616 1.141 -15.382 1.00 0.64 H new ATOM 0 HA GLU A 121 0.016 2.386 -14.871 1.00 0.69 H new ATOM 0 HB2 GLU A 121 -1.172 4.519 -15.500 1.00 0.89 H new ATOM 0 HB3 GLU A 121 -0.931 3.400 -16.827 1.00 0.89 H new ATOM 0 HG2 GLU A 121 -3.538 3.557 -15.276 1.00 1.75 H new ATOM 0 HG3 GLU A 121 -3.213 4.553 -16.681 1.00 1.75 H new ATOM 1364 N LEU A 122 -0.789 3.593 -12.781 1.00 0.71 N ATOM 1365 CA LEU A 122 -1.194 4.038 -11.457 1.00 0.72 C ATOM 1366 C LEU A 122 -1.290 5.559 -11.429 1.00 0.76 C ATOM 1367 O LEU A 122 -0.311 6.257 -11.702 1.00 0.88 O ATOM 1368 CB LEU A 122 -0.210 3.583 -10.382 1.00 0.80 C ATOM 1369 CG LEU A 122 0.449 2.220 -10.611 1.00 0.79 C ATOM 1370 CD1 LEU A 122 1.563 1.987 -9.603 1.00 1.51 C ATOM 1371 CD2 LEU A 122 -0.573 1.097 -10.532 1.00 0.97 C ATOM 0 H LEU A 122 0.125 3.931 -13.083 1.00 0.71 H new ATOM 0 HA LEU A 122 -2.166 3.593 -11.245 1.00 0.72 H new ATOM 0 HB2 LEU A 122 0.575 4.334 -10.294 1.00 0.80 H new ATOM 0 HB3 LEU A 122 -0.733 3.556 -9.426 1.00 0.80 H new ATOM 0 HG LEU A 122 0.878 2.222 -11.613 1.00 0.79 H new ATOM 0 HD11 LEU A 122 2.018 1.013 -9.783 1.00 1.51 H new ATOM 0 HD12 LEU A 122 2.318 2.766 -9.709 1.00 1.51 H new ATOM 0 HD13 LEU A 122 1.152 2.015 -8.594 1.00 1.51 H new ATOM 0 HD21 LEU A 122 -0.077 0.141 -10.698 1.00 0.97 H new ATOM 0 HD22 LEU A 122 -1.039 1.097 -9.546 1.00 0.97 H new ATOM 0 HD23 LEU A 122 -1.338 1.246 -11.294 1.00 0.97 H new ATOM 1383 N PRO A 123 -2.470 6.079 -11.088 1.00 0.79 N ATOM 1384 CA PRO A 123 -2.739 7.522 -11.053 1.00 0.89 C ATOM 1385 C PRO A 123 -2.225 8.186 -9.779 1.00 0.80 C ATOM 1386 O PRO A 123 -2.178 9.412 -9.685 1.00 0.89 O ATOM 1387 CB PRO A 123 -4.265 7.574 -11.092 1.00 1.01 C ATOM 1388 CG PRO A 123 -4.692 6.332 -10.387 1.00 0.93 C ATOM 1389 CD PRO A 123 -3.655 5.289 -10.717 1.00 0.83 C ATOM 0 HA PRO A 123 -2.243 8.053 -11.866 1.00 0.89 H new ATOM 0 HB2 PRO A 123 -4.646 8.466 -10.594 1.00 1.01 H new ATOM 0 HB3 PRO A 123 -4.637 7.598 -12.116 1.00 1.01 H new ATOM 0 HG2 PRO A 123 -4.752 6.495 -9.311 1.00 0.93 H new ATOM 0 HG3 PRO A 123 -5.682 6.016 -10.717 1.00 0.93 H new ATOM 0 HD2 PRO A 123 -3.453 4.641 -9.864 1.00 0.83 H new ATOM 0 HD3 PRO A 123 -3.980 4.646 -11.535 1.00 0.83 H new ATOM 1397 N ALA A 124 -1.845 7.357 -8.803 1.00 0.67 N ATOM 1398 CA ALA A 124 -1.400 7.822 -7.485 1.00 0.67 C ATOM 1399 C ALA A 124 -2.543 8.491 -6.730 1.00 0.62 C ATOM 1400 O ALA A 124 -2.324 9.230 -5.772 1.00 0.71 O ATOM 1401 CB ALA A 124 -0.205 8.762 -7.593 1.00 0.87 C ATOM 0 H ALA A 124 -1.837 6.342 -8.904 1.00 0.67 H new ATOM 0 HA ALA A 124 -1.080 6.945 -6.922 1.00 0.67 H new ATOM 0 HB1 ALA A 124 0.095 9.085 -6.596 1.00 0.87 H new ATOM 0 HB2 ALA A 124 0.625 8.242 -8.071 1.00 0.87 H new ATOM 0 HB3 ALA A 124 -0.479 9.632 -8.189 1.00 0.87 H new ATOM 1407 N ASP A 125 -3.763 8.204 -7.157 1.00 0.57 N ATOM 1408 CA ASP A 125 -4.949 8.727 -6.502 1.00 0.57 C ATOM 1409 C ASP A 125 -5.652 7.635 -5.723 1.00 0.50 C ATOM 1410 O ASP A 125 -5.776 6.506 -6.198 1.00 0.56 O ATOM 1411 CB ASP A 125 -5.915 9.345 -7.516 1.00 0.68 C ATOM 1412 CG ASP A 125 -5.474 10.722 -7.961 1.00 1.13 C ATOM 1413 OD1 ASP A 125 -5.591 11.673 -7.160 1.00 1.35 O ATOM 1414 OD2 ASP A 125 -5.017 10.869 -9.110 1.00 1.94 O ATOM 0 H ASP A 125 -3.957 7.607 -7.961 1.00 0.57 H new ATOM 0 HA ASP A 125 -4.628 9.507 -5.812 1.00 0.57 H new ATOM 0 HB2 ASP A 125 -5.993 8.692 -8.385 1.00 0.68 H new ATOM 0 HB3 ASP A 125 -6.910 9.409 -7.075 1.00 0.68 H new ATOM 1419 N LEU A 126 -6.091 7.972 -4.524 1.00 0.45 N ATOM 1420 CA LEU A 126 -6.784 7.023 -3.668 1.00 0.48 C ATOM 1421 C LEU A 126 -8.298 7.160 -3.804 1.00 0.51 C ATOM 1422 O LEU A 126 -8.878 8.162 -3.384 1.00 0.56 O ATOM 1423 CB LEU A 126 -6.363 7.227 -2.216 1.00 0.54 C ATOM 1424 CG LEU A 126 -4.911 6.865 -1.915 1.00 0.54 C ATOM 1425 CD1 LEU A 126 -4.506 7.396 -0.555 1.00 0.67 C ATOM 1426 CD2 LEU A 126 -4.709 5.358 -1.976 1.00 0.56 C ATOM 0 H LEU A 126 -5.980 8.901 -4.118 1.00 0.45 H new ATOM 0 HA LEU A 126 -6.509 6.016 -3.983 1.00 0.48 H new ATOM 0 HB2 LEU A 126 -6.526 8.271 -1.948 1.00 0.54 H new ATOM 0 HB3 LEU A 126 -7.012 6.629 -1.576 1.00 0.54 H new ATOM 0 HG LEU A 126 -4.278 7.327 -2.673 1.00 0.54 H new ATOM 0 HD11 LEU A 126 -3.468 7.130 -0.355 1.00 0.67 H new ATOM 0 HD12 LEU A 126 -4.611 8.481 -0.542 1.00 0.67 H new ATOM 0 HD13 LEU A 126 -5.147 6.960 0.211 1.00 0.67 H new ATOM 0 HD21 LEU A 126 -3.667 5.121 -1.758 1.00 0.56 H new ATOM 0 HD22 LEU A 126 -5.352 4.875 -1.241 1.00 0.56 H new ATOM 0 HD23 LEU A 126 -4.963 4.997 -2.973 1.00 0.56 H new ATOM 1438 N PRO A 127 -8.949 6.163 -4.427 1.00 0.55 N ATOM 1439 CA PRO A 127 -10.398 6.110 -4.562 1.00 0.61 C ATOM 1440 C PRO A 127 -11.059 5.518 -3.315 1.00 0.50 C ATOM 1441 O PRO A 127 -10.407 4.821 -2.533 1.00 0.46 O ATOM 1442 CB PRO A 127 -10.620 5.191 -5.777 1.00 0.75 C ATOM 1443 CG PRO A 127 -9.266 4.713 -6.199 1.00 0.72 C ATOM 1444 CD PRO A 127 -8.322 5.010 -5.069 1.00 0.63 C ATOM 0 HA PRO A 127 -10.836 7.100 -4.686 1.00 0.61 H new ATOM 0 HB2 PRO A 127 -11.264 4.351 -5.516 1.00 0.75 H new ATOM 0 HB3 PRO A 127 -11.111 5.730 -6.587 1.00 0.75 H new ATOM 0 HG2 PRO A 127 -9.284 3.645 -6.415 1.00 0.72 H new ATOM 0 HG3 PRO A 127 -8.946 5.217 -7.111 1.00 0.72 H new ATOM 0 HD2 PRO A 127 -8.229 4.166 -4.386 1.00 0.63 H new ATOM 0 HD3 PRO A 127 -7.319 5.241 -5.428 1.00 0.63 H new ATOM 1452 N PRO A 128 -12.361 5.764 -3.123 1.00 0.52 N ATOM 1453 CA PRO A 128 -13.093 5.291 -1.938 1.00 0.52 C ATOM 1454 C PRO A 128 -13.060 3.768 -1.781 1.00 0.50 C ATOM 1455 O PRO A 128 -13.178 3.249 -0.675 1.00 0.58 O ATOM 1456 CB PRO A 128 -14.531 5.772 -2.179 1.00 0.66 C ATOM 1457 CG PRO A 128 -14.606 6.073 -3.637 1.00 0.71 C ATOM 1458 CD PRO A 128 -13.233 6.526 -4.036 1.00 0.63 C ATOM 0 HA PRO A 128 -12.648 5.675 -1.020 1.00 0.52 H new ATOM 0 HB2 PRO A 128 -15.254 5.006 -1.898 1.00 0.66 H new ATOM 0 HB3 PRO A 128 -14.755 6.657 -1.583 1.00 0.66 H new ATOM 0 HG2 PRO A 128 -14.906 5.191 -4.203 1.00 0.71 H new ATOM 0 HG3 PRO A 128 -15.346 6.847 -3.838 1.00 0.71 H new ATOM 0 HD2 PRO A 128 -13.020 6.301 -5.081 1.00 0.63 H new ATOM 0 HD3 PRO A 128 -13.109 7.602 -3.910 1.00 0.63 H new ATOM 1466 N HIS A 129 -12.882 3.053 -2.888 1.00 0.50 N ATOM 1467 CA HIS A 129 -12.848 1.592 -2.842 1.00 0.59 C ATOM 1468 C HIS A 129 -11.429 1.069 -2.610 1.00 0.60 C ATOM 1469 O HIS A 129 -11.179 -0.133 -2.714 1.00 0.74 O ATOM 1470 CB HIS A 129 -13.449 0.982 -4.121 1.00 0.71 C ATOM 1471 CG HIS A 129 -12.670 1.227 -5.385 1.00 0.74 C ATOM 1472 ND1 HIS A 129 -13.073 2.118 -6.355 1.00 0.79 N ATOM 1473 CD2 HIS A 129 -11.529 0.663 -5.853 1.00 0.86 C ATOM 1474 CE1 HIS A 129 -12.223 2.088 -7.362 1.00 0.91 C ATOM 1475 NE2 HIS A 129 -11.274 1.214 -7.082 1.00 0.94 N ATOM 0 H HIS A 129 -12.760 3.454 -3.818 1.00 0.50 H new ATOM 0 HA HIS A 129 -13.460 1.281 -1.995 1.00 0.59 H new ATOM 0 HB2 HIS A 129 -13.546 -0.094 -3.978 1.00 0.71 H new ATOM 0 HB3 HIS A 129 -14.456 1.378 -4.253 1.00 0.71 H new ATOM 0 HD2 HIS A 129 -10.931 -0.083 -5.350 1.00 0.86 H new ATOM 0 HE1 HIS A 129 -12.291 2.679 -8.264 1.00 0.91 H new ATOM 0 HE2 HIS A 129 -10.481 0.986 -7.682 1.00 0.94 H new ATOM 1484 N LEU A 130 -10.499 1.973 -2.313 1.00 0.50 N ATOM 1485 CA LEU A 130 -9.131 1.583 -1.987 1.00 0.56 C ATOM 1486 C LEU A 130 -8.717 2.115 -0.620 1.00 0.56 C ATOM 1487 O LEU A 130 -7.772 1.611 -0.016 1.00 0.64 O ATOM 1488 CB LEU A 130 -8.147 2.063 -3.057 1.00 0.60 C ATOM 1489 CG LEU A 130 -8.189 1.287 -4.378 1.00 0.71 C ATOM 1490 CD1 LEU A 130 -7.098 1.770 -5.319 1.00 0.79 C ATOM 1491 CD2 LEU A 130 -8.034 -0.203 -4.127 1.00 0.83 C ATOM 0 H LEU A 130 -10.668 2.979 -2.291 1.00 0.50 H new ATOM 0 HA LEU A 130 -9.104 0.494 -1.957 1.00 0.56 H new ATOM 0 HB2 LEU A 130 -8.346 3.114 -3.265 1.00 0.60 H new ATOM 0 HB3 LEU A 130 -7.137 2.004 -2.652 1.00 0.60 H new ATOM 0 HG LEU A 130 -9.158 1.466 -4.844 1.00 0.71 H new ATOM 0 HD11 LEU A 130 -7.145 1.206 -6.251 1.00 0.79 H new ATOM 0 HD12 LEU A 130 -7.241 2.830 -5.529 1.00 0.79 H new ATOM 0 HD13 LEU A 130 -6.124 1.621 -4.854 1.00 0.79 H new ATOM 0 HD21 LEU A 130 -8.066 -0.737 -5.077 1.00 0.83 H new ATOM 0 HD22 LEU A 130 -7.079 -0.392 -3.637 1.00 0.83 H new ATOM 0 HD23 LEU A 130 -8.845 -0.551 -3.487 1.00 0.83 H new ATOM 1503 N VAL A 131 -9.426 3.127 -0.134 1.00 0.58 N ATOM 1504 CA VAL A 131 -9.165 3.676 1.194 1.00 0.65 C ATOM 1505 C VAL A 131 -9.957 2.908 2.246 1.00 0.79 C ATOM 1506 O VAL A 131 -11.182 3.014 2.320 1.00 0.92 O ATOM 1507 CB VAL A 131 -9.528 5.176 1.272 1.00 0.68 C ATOM 1508 CG1 VAL A 131 -9.201 5.747 2.645 1.00 1.44 C ATOM 1509 CG2 VAL A 131 -8.806 5.957 0.188 1.00 1.40 C ATOM 0 H VAL A 131 -10.186 3.585 -0.638 1.00 0.58 H new ATOM 0 HA VAL A 131 -8.097 3.572 1.387 1.00 0.65 H new ATOM 0 HB VAL A 131 -10.602 5.271 1.112 1.00 0.68 H new ATOM 0 HG11 VAL A 131 -9.466 6.804 2.672 1.00 1.44 H new ATOM 0 HG12 VAL A 131 -9.768 5.211 3.406 1.00 1.44 H new ATOM 0 HG13 VAL A 131 -8.135 5.636 2.841 1.00 1.44 H new ATOM 0 HG21 VAL A 131 -9.074 7.011 0.259 1.00 1.40 H new ATOM 0 HG22 VAL A 131 -7.729 5.847 0.316 1.00 1.40 H new ATOM 0 HG23 VAL A 131 -9.096 5.574 -0.791 1.00 1.40 H new ATOM 1746 N TYR B 148 7.750 8.593 5.057 1.00 0.63 N ATOM 1747 CA TYR B 148 7.430 7.288 5.610 1.00 0.45 C ATOM 1748 C TYR B 148 7.555 6.235 4.523 1.00 0.40 C ATOM 1749 O TYR B 148 7.288 5.056 4.737 1.00 0.58 O ATOM 1750 CB TYR B 148 6.008 7.302 6.188 1.00 0.52 C ATOM 1751 CG TYR B 148 5.770 8.445 7.153 1.00 0.55 C ATOM 1752 CD1 TYR B 148 5.493 9.723 6.692 1.00 0.63 C ATOM 1753 CD2 TYR B 148 5.809 8.236 8.526 1.00 0.63 C ATOM 1754 CE1 TYR B 148 5.261 10.761 7.570 1.00 0.73 C ATOM 1755 CE2 TYR B 148 5.574 9.263 9.411 1.00 0.72 C ATOM 1756 CZ TYR B 148 5.366 10.551 8.917 1.00 0.75 C ATOM 1757 OH TYR B 148 5.065 11.560 9.810 1.00 0.89 O ATOM 0 HA TYR B 148 8.126 7.049 6.414 1.00 0.45 H new ATOM 0 HB2 TYR B 148 5.291 7.369 5.370 1.00 0.52 H new ATOM 0 HB3 TYR B 148 5.821 6.358 6.699 1.00 0.52 H new ATOM 0 HD1 TYR B 148 5.458 9.909 5.629 1.00 0.63 H new ATOM 0 HD2 TYR B 148 6.028 7.249 8.906 1.00 0.63 H new ATOM 0 HE1 TYR B 148 4.997 11.738 7.194 1.00 0.73 H new ATOM 0 HE2 TYR B 148 5.551 9.074 10.474 1.00 0.72 H new ATOM 0 HH TYR B 148 5.194 11.236 10.726 1.00 0.89 H new ATOM 1767 N ASN B 149 7.969 6.686 3.354 1.00 0.38 N ATOM 1768 CA ASN B 149 8.129 5.819 2.203 1.00 0.30 C ATOM 1769 C ASN B 149 9.609 5.498 1.998 1.00 0.31 C ATOM 1770 O ASN B 149 10.425 6.394 1.788 1.00 0.36 O ATOM 1771 CB ASN B 149 7.541 6.509 0.971 1.00 0.34 C ATOM 1772 CG ASN B 149 7.451 5.612 -0.248 1.00 0.32 C ATOM 1773 OD1 ASN B 149 8.231 4.678 -0.424 1.00 0.27 O ATOM 1774 ND2 ASN B 149 6.498 5.911 -1.114 1.00 0.43 N ATOM 0 H ASN B 149 8.204 7.663 3.176 1.00 0.38 H new ATOM 0 HA ASN B 149 7.599 4.880 2.366 1.00 0.30 H new ATOM 0 HB2 ASN B 149 6.544 6.878 1.214 1.00 0.34 H new ATOM 0 HB3 ASN B 149 8.152 7.378 0.727 1.00 0.34 H new ATOM 0 HD21 ASN B 149 6.390 5.358 -1.965 1.00 0.43 H new ATOM 0 HD22 ASN B 149 5.870 6.694 -0.932 1.00 0.43 H new ATOM 1781 N PRO B 150 9.974 4.210 2.074 1.00 0.30 N ATOM 1782 CA PRO B 150 11.363 3.750 1.928 1.00 0.34 C ATOM 1783 C PRO B 150 11.911 3.948 0.515 1.00 0.33 C ATOM 1784 O PRO B 150 13.089 3.709 0.256 1.00 0.35 O ATOM 1785 CB PRO B 150 11.292 2.255 2.264 1.00 0.38 C ATOM 1786 CG PRO B 150 9.970 2.059 2.924 1.00 0.51 C ATOM 1787 CD PRO B 150 9.063 3.091 2.330 1.00 0.30 C ATOM 0 HA PRO B 150 12.035 4.316 2.573 1.00 0.34 H new ATOM 0 HB2 PRO B 150 11.376 1.646 1.364 1.00 0.38 H new ATOM 0 HB3 PRO B 150 12.108 1.962 2.924 1.00 0.38 H new ATOM 0 HG2 PRO B 150 9.589 1.054 2.746 1.00 0.51 H new ATOM 0 HG3 PRO B 150 10.050 2.183 4.004 1.00 0.51 H new ATOM 0 HD2 PRO B 150 8.590 2.736 1.414 1.00 0.30 H new ATOM 0 HD3 PRO B 150 8.262 3.369 3.015 1.00 0.30 H new ATOM 1795 N PHE B 151 11.048 4.348 -0.404 1.00 0.32 N ATOM 1796 CA PHE B 151 11.464 4.637 -1.770 1.00 0.35 C ATOM 1797 C PHE B 151 11.437 6.139 -2.018 1.00 0.39 C ATOM 1798 O PHE B 151 11.702 6.608 -3.121 1.00 0.50 O ATOM 1799 CB PHE B 151 10.548 3.920 -2.759 1.00 0.32 C ATOM 1800 CG PHE B 151 10.360 2.465 -2.432 1.00 0.32 C ATOM 1801 CD1 PHE B 151 11.348 1.539 -2.730 1.00 0.40 C ATOM 1802 CD2 PHE B 151 9.188 2.021 -1.843 1.00 0.32 C ATOM 1803 CE1 PHE B 151 11.172 0.200 -2.446 1.00 0.46 C ATOM 1804 CE2 PHE B 151 9.008 0.683 -1.554 1.00 0.39 C ATOM 1805 CZ PHE B 151 10.026 -0.220 -1.802 1.00 0.45 C ATOM 0 H PHE B 151 10.052 4.481 -0.230 1.00 0.32 H new ATOM 0 HA PHE B 151 12.483 4.278 -1.913 1.00 0.35 H new ATOM 0 HB2 PHE B 151 9.576 4.413 -2.770 1.00 0.32 H new ATOM 0 HB3 PHE B 151 10.963 4.011 -3.763 1.00 0.32 H new ATOM 0 HD1 PHE B 151 12.267 1.870 -3.190 1.00 0.40 H new ATOM 0 HD2 PHE B 151 8.407 2.729 -1.607 1.00 0.32 H new ATOM 0 HE1 PHE B 151 11.929 -0.517 -2.727 1.00 0.46 H new ATOM 0 HE2 PHE B 151 8.073 0.342 -1.135 1.00 0.39 H new ATOM 0 HZ PHE B 151 9.924 -1.250 -1.493 1.00 0.45 H new ATOM 1815 N GLU B 152 11.140 6.875 -0.962 1.00 0.41 N ATOM 1816 CA GLU B 152 10.955 8.314 -1.036 1.00 0.49 C ATOM 1817 C GLU B 152 11.998 9.006 -0.157 1.00 0.59 C ATOM 1818 O GLU B 152 11.910 10.197 0.136 1.00 0.76 O ATOM 1819 CB GLU B 152 9.528 8.629 -0.569 1.00 0.60 C ATOM 1820 CG GLU B 152 9.019 10.031 -0.866 1.00 0.62 C ATOM 1821 CD GLU B 152 7.555 10.183 -0.490 1.00 0.74 C ATOM 1822 OE1 GLU B 152 7.267 10.499 0.684 1.00 1.42 O ATOM 1823 OE2 GLU B 152 6.685 10.014 -1.372 1.00 1.01 O ATOM 0 H GLU B 152 11.020 6.490 -0.025 1.00 0.41 H new ATOM 0 HA GLU B 152 11.087 8.679 -2.055 1.00 0.49 H new ATOM 0 HB2 GLU B 152 8.850 7.913 -1.033 1.00 0.60 H new ATOM 0 HB3 GLU B 152 9.476 8.466 0.508 1.00 0.60 H new ATOM 0 HG2 GLU B 152 9.615 10.760 -0.316 1.00 0.62 H new ATOM 0 HG3 GLU B 152 9.148 10.249 -1.926 1.00 0.62 H new