USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 TYR OH : rot 150:sc= -0.22 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 161:sc= 1.01 (180deg=0.497) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc=-0.00926 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.686 K(o=1.6,f=-4.2!) USER MOD Set 2.3: A 74 LYS NZ :NH3+ 158:sc= 0.874 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= 1.48 (180deg=0.942) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 5:sc= 0.827 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -127:sc= 1.29 (180deg=0.71) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.15) USER MOD Single : A 76 MET CE :methyl -115:sc= -0.0394 (180deg=-2.12!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 135:sc= 1.32 USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= 0.278 (180deg=0.195) USER MOD Single : A 83 ASN : amide:sc= 0.0258 X(o=0.026,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0288 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -119:sc= 1.14 (180deg=-0.564) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= 0.371 F(o=-0.48,f=0.37) USER MOD Single : A 111 HIS : no HD1:sc= -0.836 X(o=-0.84,f=-1.1) USER MOD Single : A 116 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00118) USER MOD Single : A 120 HIS : no HD1:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 129 HIS : no HD1:sc=-0.00286 X(o=-0.0029,f=-0.16) USER MOD Single : B 152 THR OG1 : rot 180:sc= 0.00314 USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -11.270 -5.878 -3.776 1.00 0.96 N ATOM 117 CA TRP A 44 -9.935 -5.584 -4.259 1.00 0.76 C ATOM 118 C TRP A 44 -9.513 -6.508 -5.391 1.00 0.61 C ATOM 119 O TRP A 44 -9.758 -7.713 -5.346 1.00 0.62 O ATOM 120 CB TRP A 44 -8.948 -5.758 -3.118 1.00 0.89 C ATOM 121 CG TRP A 44 -8.426 -4.482 -2.548 1.00 0.64 C ATOM 122 CD1 TRP A 44 -8.831 -3.207 -2.829 1.00 0.60 C ATOM 123 CD2 TRP A 44 -7.384 -4.375 -1.587 1.00 0.59 C ATOM 124 NE1 TRP A 44 -8.087 -2.312 -2.094 1.00 0.60 N ATOM 125 CE2 TRP A 44 -7.194 -3.008 -1.323 1.00 0.53 C ATOM 126 CE3 TRP A 44 -6.592 -5.312 -0.925 1.00 0.76 C ATOM 127 CZ2 TRP A 44 -6.242 -2.559 -0.416 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -5.649 -4.868 -0.030 1.00 0.77 C ATOM 129 CH2 TRP A 44 -5.478 -3.501 0.217 1.00 0.69 C ATOM 0 HA TRP A 44 -9.942 -4.561 -4.635 1.00 0.76 H new ATOM 0 HB2 TRP A 44 -9.430 -6.326 -2.322 1.00 0.89 H new ATOM 0 HB3 TRP A 44 -8.106 -6.354 -3.471 1.00 0.89 H new ATOM 0 HD1 TRP A 44 -9.616 -2.942 -3.522 1.00 0.60 H new ATOM 0 HE1 TRP A 44 -8.185 -1.297 -2.119 1.00 0.60 H new ATOM 0 HE3 TRP A 44 -6.718 -6.368 -1.112 1.00 0.76 H new ATOM 0 HZ2 TRP A 44 -6.110 -1.506 -0.218 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -5.031 -5.584 0.491 1.00 0.77 H new ATOM 0 HH2 TRP A 44 -4.726 -3.183 0.923 1.00 0.69 H new ATOM 140 N VAL A 45 -8.835 -5.940 -6.383 1.00 0.60 N ATOM 141 CA VAL A 45 -8.159 -6.735 -7.401 1.00 0.57 C ATOM 142 C VAL A 45 -6.859 -7.285 -6.821 1.00 0.54 C ATOM 143 O VAL A 45 -6.163 -8.090 -7.436 1.00 0.67 O ATOM 144 CB VAL A 45 -7.847 -5.907 -8.671 1.00 0.67 C ATOM 145 CG1 VAL A 45 -9.125 -5.334 -9.268 1.00 1.01 C ATOM 146 CG2 VAL A 45 -6.850 -4.793 -8.369 1.00 1.33 C ATOM 0 H VAL A 45 -8.739 -4.932 -6.503 1.00 0.60 H new ATOM 0 HA VAL A 45 -8.825 -7.548 -7.692 1.00 0.57 H new ATOM 0 HB VAL A 45 -7.394 -6.575 -9.403 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -8.883 -4.756 -10.160 1.00 1.01 H new ATOM 0 HG12 VAL A 45 -9.799 -6.148 -9.536 1.00 1.01 H new ATOM 0 HG13 VAL A 45 -9.610 -4.687 -8.537 1.00 1.01 H new ATOM 0 HG21 VAL A 45 -6.649 -4.228 -9.279 1.00 1.33 H new ATOM 0 HG22 VAL A 45 -7.266 -4.127 -7.613 1.00 1.33 H new ATOM 0 HG23 VAL A 45 -5.921 -5.227 -7.999 1.00 1.33 H new ATOM 156 N VAL A 46 -6.543 -6.820 -5.619 1.00 0.43 N ATOM 157 CA VAL A 46 -5.366 -7.264 -4.894 1.00 0.40 C ATOM 158 C VAL A 46 -5.752 -8.360 -3.902 1.00 0.46 C ATOM 159 O VAL A 46 -4.899 -9.052 -3.356 1.00 0.53 O ATOM 160 CB VAL A 46 -4.722 -6.094 -4.118 1.00 0.37 C ATOM 161 CG1 VAL A 46 -3.355 -6.481 -3.573 1.00 0.43 C ATOM 162 CG2 VAL A 46 -4.624 -4.853 -4.988 1.00 0.41 C ATOM 0 H VAL A 46 -7.098 -6.124 -5.121 1.00 0.43 H new ATOM 0 HA VAL A 46 -4.648 -7.648 -5.619 1.00 0.40 H new ATOM 0 HB VAL A 46 -5.367 -5.864 -3.270 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -2.927 -5.637 -3.032 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -3.460 -7.330 -2.897 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -2.698 -6.753 -4.399 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -4.167 -4.044 -4.418 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -4.013 -5.070 -5.864 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -5.622 -4.553 -5.308 1.00 0.41 H new ATOM 172 N GLY A 47 -7.057 -8.525 -3.701 1.00 0.51 N ATOM 173 CA GLY A 47 -7.551 -9.440 -2.686 1.00 0.59 C ATOM 174 C GLY A 47 -7.203 -10.889 -2.974 1.00 0.65 C ATOM 175 O GLY A 47 -7.142 -11.711 -2.061 1.00 0.78 O ATOM 0 H GLY A 47 -7.784 -8.039 -4.226 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -7.137 -9.158 -1.718 1.00 0.59 H new ATOM 0 HA3 GLY A 47 -8.634 -9.340 -2.611 1.00 0.59 H new ATOM 179 N LYS A 48 -6.966 -11.206 -4.242 1.00 0.66 N ATOM 180 CA LYS A 48 -6.612 -12.568 -4.625 1.00 0.79 C ATOM 181 C LYS A 48 -5.183 -12.882 -4.226 1.00 0.73 C ATOM 182 O LYS A 48 -4.836 -14.035 -3.964 1.00 0.86 O ATOM 183 CB LYS A 48 -6.784 -12.779 -6.130 1.00 0.94 C ATOM 184 CG LYS A 48 -5.898 -11.891 -6.994 1.00 1.18 C ATOM 185 CD LYS A 48 -5.857 -12.397 -8.427 1.00 1.81 C ATOM 186 CE LYS A 48 -5.091 -13.710 -8.528 1.00 2.64 C ATOM 187 NZ LYS A 48 -5.396 -14.436 -9.790 1.00 3.22 N ATOM 0 H LYS A 48 -7.012 -10.544 -5.017 1.00 0.66 H new ATOM 0 HA LYS A 48 -7.286 -13.244 -4.099 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -6.572 -13.822 -6.365 1.00 0.94 H new ATOM 0 HB3 LYS A 48 -7.826 -12.598 -6.393 1.00 0.94 H new ATOM 0 HG2 LYS A 48 -6.273 -10.868 -6.976 1.00 1.18 H new ATOM 0 HG3 LYS A 48 -4.889 -11.867 -6.583 1.00 1.18 H new ATOM 0 HD2 LYS A 48 -6.873 -12.537 -8.795 1.00 1.81 H new ATOM 0 HD3 LYS A 48 -5.387 -11.649 -9.066 1.00 1.81 H new ATOM 0 HE2 LYS A 48 -4.021 -13.511 -8.474 1.00 2.64 H new ATOM 0 HE3 LYS A 48 -5.341 -14.342 -7.676 1.00 2.64 H new ATOM 0 HZ1 LYS A 48 -4.855 -15.324 -9.819 1.00 3.22 H new ATOM 0 HZ2 LYS A 48 -6.413 -14.649 -9.831 1.00 3.22 H new ATOM 0 HZ3 LYS A 48 -5.134 -13.843 -10.603 1.00 3.22 H new ATOM 201 N ASP A 49 -4.362 -11.844 -4.157 1.00 0.61 N ATOM 202 CA ASP A 49 -2.967 -11.999 -3.788 1.00 0.65 C ATOM 203 C ASP A 49 -2.752 -11.482 -2.376 1.00 0.53 C ATOM 204 O ASP A 49 -1.659 -11.055 -2.023 1.00 0.60 O ATOM 205 CB ASP A 49 -2.088 -11.197 -4.751 1.00 0.80 C ATOM 206 CG ASP A 49 -1.533 -12.017 -5.898 1.00 1.61 C ATOM 207 OD1 ASP A 49 -0.777 -12.981 -5.633 1.00 2.39 O ATOM 208 OD2 ASP A 49 -1.896 -11.739 -7.064 1.00 1.93 O ATOM 0 H ASP A 49 -4.642 -10.883 -4.353 1.00 0.61 H new ATOM 0 HA ASP A 49 -2.700 -13.055 -3.838 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -2.670 -10.370 -5.156 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -1.259 -10.761 -4.194 1.00 0.80 H new ATOM 213 N LYS A 50 -3.770 -11.605 -1.541 1.00 0.43 N ATOM 214 CA LYS A 50 -3.704 -11.070 -0.191 1.00 0.39 C ATOM 215 C LYS A 50 -2.845 -11.941 0.719 1.00 0.32 C ATOM 216 O LYS A 50 -1.877 -11.450 1.291 1.00 0.29 O ATOM 217 CB LYS A 50 -5.101 -10.912 0.417 1.00 0.50 C ATOM 218 CG LYS A 50 -5.529 -9.467 0.606 1.00 0.74 C ATOM 219 CD LYS A 50 -4.503 -8.669 1.402 1.00 0.72 C ATOM 220 CE LYS A 50 -4.267 -9.236 2.800 1.00 0.80 C ATOM 221 NZ LYS A 50 -5.497 -9.203 3.628 1.00 1.17 N ATOM 0 H LYS A 50 -4.649 -12.069 -1.772 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.240 -10.086 -0.268 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -5.825 -11.414 -0.225 1.00 0.50 H new ATOM 0 HB3 LYS A 50 -5.126 -11.418 1.382 1.00 0.50 H new ATOM 0 HG2 LYS A 50 -5.674 -9.001 -0.369 1.00 0.74 H new ATOM 0 HG3 LYS A 50 -6.490 -9.437 1.120 1.00 0.74 H new ATOM 0 HD2 LYS A 50 -3.559 -8.654 0.857 1.00 0.72 H new ATOM 0 HD3 LYS A 50 -4.839 -7.636 1.486 1.00 0.72 H new ATOM 0 HE2 LYS A 50 -3.912 -10.263 2.719 1.00 0.80 H new ATOM 0 HE3 LYS A 50 -3.481 -8.665 3.295 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 -5.238 -9.215 4.635 1.00 1.17 H new ATOM 0 HZ2 LYS A 50 -6.033 -8.337 3.419 1.00 1.17 H new ATOM 0 HZ3 LYS A 50 -6.084 -10.034 3.411 1.00 1.17 H new ATOM 235 N PRO A 51 -3.158 -13.251 0.859 1.00 0.34 N ATOM 236 CA PRO A 51 -2.461 -14.111 1.819 1.00 0.33 C ATOM 237 C PRO A 51 -0.997 -14.333 1.451 1.00 0.29 C ATOM 238 O PRO A 51 -0.202 -14.775 2.275 1.00 0.29 O ATOM 239 CB PRO A 51 -3.239 -15.420 1.763 1.00 0.45 C ATOM 240 CG PRO A 51 -3.867 -15.437 0.418 1.00 0.65 C ATOM 241 CD PRO A 51 -4.186 -14.004 0.103 1.00 0.44 C ATOM 0 HA PRO A 51 -2.432 -13.666 2.814 1.00 0.33 H new ATOM 0 HB2 PRO A 51 -2.580 -16.277 1.902 1.00 0.45 H new ATOM 0 HB3 PRO A 51 -3.991 -15.466 2.550 1.00 0.45 H new ATOM 0 HG2 PRO A 51 -3.191 -15.860 -0.325 1.00 0.65 H new ATOM 0 HG3 PRO A 51 -4.769 -16.049 0.414 1.00 0.65 H new ATOM 0 HD2 PRO A 51 -4.125 -13.804 -0.967 1.00 0.44 H new ATOM 0 HD3 PRO A 51 -5.194 -13.737 0.420 1.00 0.44 H new ATOM 249 N THR A 52 -0.641 -14.003 0.220 1.00 0.29 N ATOM 250 CA THR A 52 0.744 -14.073 -0.203 1.00 0.28 C ATOM 251 C THR A 52 1.537 -12.966 0.490 1.00 0.25 C ATOM 252 O THR A 52 2.598 -13.202 1.079 1.00 0.25 O ATOM 253 CB THR A 52 0.857 -13.898 -1.728 1.00 0.33 C ATOM 254 OG1 THR A 52 -0.065 -14.770 -2.396 1.00 0.45 O ATOM 255 CG2 THR A 52 2.271 -14.186 -2.208 1.00 0.40 C ATOM 0 H THR A 52 -1.290 -13.686 -0.500 1.00 0.29 H new ATOM 0 HA THR A 52 1.144 -15.050 0.068 1.00 0.28 H new ATOM 0 HB THR A 52 0.614 -12.862 -1.966 1.00 0.33 H new ATOM 0 HG1 THR A 52 0.014 -14.649 -3.365 1.00 0.45 H new ATOM 0 HG21 THR A 52 2.322 -14.055 -3.289 1.00 0.40 H new ATOM 0 HG22 THR A 52 2.966 -13.499 -1.726 1.00 0.40 H new ATOM 0 HG23 THR A 52 2.540 -15.211 -1.954 1.00 0.40 H new ATOM 263 N TYR A 53 0.974 -11.764 0.472 1.00 0.25 N ATOM 264 CA TYR A 53 1.608 -10.627 1.114 1.00 0.25 C ATOM 265 C TYR A 53 1.330 -10.654 2.605 1.00 0.22 C ATOM 266 O TYR A 53 2.045 -10.042 3.380 1.00 0.21 O ATOM 267 CB TYR A 53 1.107 -9.316 0.513 1.00 0.28 C ATOM 268 CG TYR A 53 1.169 -9.285 -0.993 1.00 0.34 C ATOM 269 CD1 TYR A 53 2.294 -9.729 -1.676 1.00 0.44 C ATOM 270 CD2 TYR A 53 0.094 -8.818 -1.732 1.00 0.49 C ATOM 271 CE1 TYR A 53 2.339 -9.710 -3.057 1.00 0.53 C ATOM 272 CE2 TYR A 53 0.134 -8.791 -3.111 1.00 0.59 C ATOM 273 CZ TYR A 53 1.257 -9.237 -3.766 1.00 0.56 C ATOM 274 OH TYR A 53 1.295 -9.234 -5.140 1.00 0.70 O ATOM 0 H TYR A 53 0.083 -11.555 0.021 1.00 0.25 H new ATOM 0 HA TYR A 53 2.683 -10.692 0.947 1.00 0.25 H new ATOM 0 HB2 TYR A 53 0.078 -9.150 0.830 1.00 0.28 H new ATOM 0 HB3 TYR A 53 1.700 -8.493 0.911 1.00 0.28 H new ATOM 0 HD1 TYR A 53 3.145 -10.094 -1.120 1.00 0.44 H new ATOM 0 HD2 TYR A 53 -0.791 -8.469 -1.220 1.00 0.49 H new ATOM 0 HE1 TYR A 53 3.217 -10.064 -3.577 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -0.712 -8.422 -3.672 1.00 0.59 H new ATOM 0 HH TYR A 53 0.387 -9.344 -5.493 1.00 0.70 H new ATOM 284 N ASP A 54 0.282 -11.370 2.987 1.00 0.23 N ATOM 285 CA ASP A 54 -0.037 -11.599 4.389 1.00 0.24 C ATOM 286 C ASP A 54 1.058 -12.457 5.020 1.00 0.21 C ATOM 287 O ASP A 54 1.545 -12.170 6.114 1.00 0.22 O ATOM 288 CB ASP A 54 -1.390 -12.311 4.490 1.00 0.29 C ATOM 289 CG ASP A 54 -1.959 -12.355 5.894 1.00 0.50 C ATOM 290 OD1 ASP A 54 -1.418 -13.087 6.737 1.00 0.63 O ATOM 291 OD2 ASP A 54 -2.994 -11.688 6.138 1.00 0.73 O ATOM 0 H ASP A 54 -0.370 -11.808 2.336 1.00 0.23 H new ATOM 0 HA ASP A 54 -0.095 -10.648 4.919 1.00 0.24 H new ATOM 0 HB2 ASP A 54 -2.103 -11.809 3.835 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -1.281 -13.331 4.121 1.00 0.29 H new ATOM 296 N GLU A 55 1.455 -13.500 4.295 1.00 0.23 N ATOM 297 CA GLU A 55 2.552 -14.359 4.714 1.00 0.25 C ATOM 298 C GLU A 55 3.835 -13.547 4.850 1.00 0.24 C ATOM 299 O GLU A 55 4.504 -13.597 5.884 1.00 0.30 O ATOM 300 CB GLU A 55 2.754 -15.488 3.705 1.00 0.32 C ATOM 301 CG GLU A 55 3.771 -16.531 4.143 1.00 0.41 C ATOM 302 CD GLU A 55 4.000 -17.597 3.094 1.00 1.13 C ATOM 303 OE1 GLU A 55 3.071 -18.387 2.833 1.00 1.86 O ATOM 304 OE2 GLU A 55 5.101 -17.642 2.513 1.00 1.66 O ATOM 0 H GLU A 55 1.028 -13.769 3.409 1.00 0.23 H new ATOM 0 HA GLU A 55 2.304 -14.792 5.683 1.00 0.25 H new ATOM 0 HB2 GLU A 55 1.797 -15.979 3.528 1.00 0.32 H new ATOM 0 HB3 GLU A 55 3.073 -15.060 2.755 1.00 0.32 H new ATOM 0 HG2 GLU A 55 4.717 -16.039 4.368 1.00 0.41 H new ATOM 0 HG3 GLU A 55 3.429 -17.001 5.065 1.00 0.41 H new ATOM 311 N ILE A 56 4.160 -12.783 3.803 1.00 0.22 N ATOM 312 CA ILE A 56 5.342 -11.919 3.822 1.00 0.24 C ATOM 313 C ILE A 56 5.243 -10.908 4.965 1.00 0.24 C ATOM 314 O ILE A 56 6.229 -10.612 5.642 1.00 0.27 O ATOM 315 CB ILE A 56 5.512 -11.157 2.487 1.00 0.27 C ATOM 316 CG1 ILE A 56 5.597 -12.139 1.317 1.00 0.29 C ATOM 317 CG2 ILE A 56 6.751 -10.268 2.531 1.00 0.31 C ATOM 318 CD1 ILE A 56 5.614 -11.466 -0.040 1.00 0.32 C ATOM 0 H ILE A 56 3.624 -12.746 2.936 1.00 0.22 H new ATOM 0 HA ILE A 56 6.210 -12.561 3.969 1.00 0.24 H new ATOM 0 HB ILE A 56 4.639 -10.521 2.340 1.00 0.27 H new ATOM 0 HG12 ILE A 56 6.498 -12.743 1.425 1.00 0.29 H new ATOM 0 HG13 ILE A 56 4.748 -12.822 1.364 1.00 0.29 H new ATOM 0 HG21 ILE A 56 6.854 -9.740 1.583 1.00 0.31 H new ATOM 0 HG22 ILE A 56 6.651 -9.545 3.340 1.00 0.31 H new ATOM 0 HG23 ILE A 56 7.634 -10.883 2.701 1.00 0.31 H new ATOM 0 HD11 ILE A 56 5.675 -12.224 -0.821 1.00 0.32 H new ATOM 0 HD12 ILE A 56 4.701 -10.885 -0.169 1.00 0.32 H new ATOM 0 HD13 ILE A 56 6.478 -10.805 -0.107 1.00 0.32 H new ATOM 330 N PHE A 57 4.036 -10.409 5.176 1.00 0.22 N ATOM 331 CA PHE A 57 3.752 -9.429 6.216 1.00 0.23 C ATOM 332 C PHE A 57 4.166 -9.949 7.590 1.00 0.26 C ATOM 333 O PHE A 57 4.840 -9.257 8.352 1.00 0.29 O ATOM 334 CB PHE A 57 2.256 -9.107 6.202 1.00 0.23 C ATOM 335 CG PHE A 57 1.850 -7.984 7.100 1.00 0.26 C ATOM 336 CD1 PHE A 57 2.180 -6.679 6.783 1.00 0.27 C ATOM 337 CD2 PHE A 57 1.118 -8.230 8.248 1.00 0.35 C ATOM 338 CE1 PHE A 57 1.789 -5.641 7.597 1.00 0.30 C ATOM 339 CE2 PHE A 57 0.727 -7.194 9.068 1.00 0.39 C ATOM 340 CZ PHE A 57 1.063 -5.897 8.741 1.00 0.34 C ATOM 0 H PHE A 57 3.218 -10.674 4.627 1.00 0.22 H new ATOM 0 HA PHE A 57 4.328 -8.525 6.017 1.00 0.23 H new ATOM 0 HB2 PHE A 57 1.960 -8.863 5.182 1.00 0.23 H new ATOM 0 HB3 PHE A 57 1.703 -10.001 6.489 1.00 0.23 H new ATOM 0 HD1 PHE A 57 2.750 -6.473 5.889 1.00 0.27 H new ATOM 0 HD2 PHE A 57 0.850 -9.244 8.504 1.00 0.35 H new ATOM 0 HE1 PHE A 57 2.051 -4.625 7.340 1.00 0.30 H new ATOM 0 HE2 PHE A 57 0.159 -7.397 9.964 1.00 0.39 H new ATOM 0 HZ PHE A 57 0.758 -5.082 9.381 1.00 0.34 H new ATOM 350 N TYR A 58 3.778 -11.181 7.892 1.00 0.33 N ATOM 351 CA TYR A 58 4.066 -11.767 9.195 1.00 0.40 C ATOM 352 C TYR A 58 5.522 -12.205 9.323 1.00 0.44 C ATOM 353 O TYR A 58 6.041 -12.313 10.437 1.00 0.62 O ATOM 354 CB TYR A 58 3.129 -12.940 9.482 1.00 0.46 C ATOM 355 CG TYR A 58 1.775 -12.511 10.009 1.00 0.53 C ATOM 356 CD1 TYR A 58 1.551 -12.350 11.370 1.00 0.77 C ATOM 357 CD2 TYR A 58 0.718 -12.279 9.139 1.00 0.60 C ATOM 358 CE1 TYR A 58 0.307 -11.970 11.848 1.00 0.87 C ATOM 359 CE2 TYR A 58 -0.525 -11.897 9.608 1.00 0.71 C ATOM 360 CZ TYR A 58 -0.701 -11.702 10.993 1.00 0.78 C ATOM 361 OH TYR A 58 -1.968 -11.371 11.423 1.00 0.91 O ATOM 0 H TYR A 58 3.265 -11.792 7.256 1.00 0.33 H new ATOM 0 HA TYR A 58 3.895 -10.988 9.938 1.00 0.40 H new ATOM 0 HB2 TYR A 58 2.989 -13.516 8.567 1.00 0.46 H new ATOM 0 HB3 TYR A 58 3.600 -13.603 10.208 1.00 0.46 H new ATOM 0 HD1 TYR A 58 2.358 -12.523 12.066 1.00 0.77 H new ATOM 0 HD2 TYR A 58 0.870 -12.399 8.076 1.00 0.60 H new ATOM 0 HE1 TYR A 58 0.144 -11.888 12.912 1.00 0.87 H new ATOM 0 HE2 TYR A 58 -1.348 -11.750 8.924 1.00 0.71 H new ATOM 0 HH TYR A 58 -2.546 -11.215 10.647 1.00 0.91 H new ATOM 371 N THR A 59 6.193 -12.441 8.203 1.00 0.40 N ATOM 372 CA THR A 59 7.608 -12.789 8.245 1.00 0.45 C ATOM 373 C THR A 59 8.475 -11.542 8.437 1.00 0.48 C ATOM 374 O THR A 59 9.685 -11.639 8.647 1.00 0.56 O ATOM 375 CB THR A 59 8.059 -13.549 6.975 1.00 0.49 C ATOM 376 OG1 THR A 59 7.704 -12.820 5.793 1.00 0.48 O ATOM 377 CG2 THR A 59 7.438 -14.937 6.927 1.00 0.58 C ATOM 0 H THR A 59 5.788 -12.399 7.268 1.00 0.40 H new ATOM 0 HA THR A 59 7.741 -13.452 9.100 1.00 0.45 H new ATOM 0 HB THR A 59 9.144 -13.649 7.015 1.00 0.49 H new ATOM 0 HG1 THR A 59 7.321 -11.954 6.045 1.00 0.48 H new ATOM 0 HG21 THR A 59 7.769 -15.453 6.026 1.00 0.58 H new ATOM 0 HG22 THR A 59 7.748 -15.505 7.804 1.00 0.58 H new ATOM 0 HG23 THR A 59 6.352 -14.849 6.916 1.00 0.58 H new ATOM 385 N LEU A 60 7.841 -10.370 8.393 1.00 0.48 N ATOM 386 CA LEU A 60 8.556 -9.104 8.546 1.00 0.56 C ATOM 387 C LEU A 60 8.392 -8.544 9.955 1.00 0.61 C ATOM 388 O LEU A 60 8.921 -7.478 10.263 1.00 0.71 O ATOM 389 CB LEU A 60 8.066 -8.076 7.519 1.00 0.64 C ATOM 390 CG LEU A 60 8.417 -8.386 6.063 1.00 0.42 C ATOM 391 CD1 LEU A 60 7.854 -7.310 5.146 1.00 0.86 C ATOM 392 CD2 LEU A 60 9.928 -8.499 5.896 1.00 1.17 C ATOM 0 H LEU A 60 6.835 -10.272 8.253 1.00 0.48 H new ATOM 0 HA LEU A 60 9.614 -9.302 8.373 1.00 0.56 H new ATOM 0 HB2 LEU A 60 6.983 -7.991 7.604 1.00 0.64 H new ATOM 0 HB3 LEU A 60 8.484 -7.103 7.777 1.00 0.64 H new ATOM 0 HG LEU A 60 7.969 -9.341 5.789 1.00 0.42 H new ATOM 0 HD11 LEU A 60 8.111 -7.542 4.112 1.00 0.86 H new ATOM 0 HD12 LEU A 60 6.770 -7.273 5.251 1.00 0.86 H new ATOM 0 HD13 LEU A 60 8.278 -6.343 5.417 1.00 0.86 H new ATOM 0 HD21 LEU A 60 10.163 -8.720 4.855 1.00 1.17 H new ATOM 0 HD22 LEU A 60 10.397 -7.558 6.182 1.00 1.17 H new ATOM 0 HD23 LEU A 60 10.305 -9.300 6.531 1.00 1.17 H new ATOM 404 N SER A 61 7.663 -9.280 10.793 1.00 0.59 N ATOM 405 CA SER A 61 7.393 -8.882 12.178 1.00 0.66 C ATOM 406 C SER A 61 6.451 -7.678 12.234 1.00 0.70 C ATOM 407 O SER A 61 6.888 -6.527 12.233 1.00 0.78 O ATOM 408 CB SER A 61 8.696 -8.581 12.929 1.00 0.74 C ATOM 409 OG SER A 61 9.615 -9.652 12.787 1.00 1.14 O ATOM 0 H SER A 61 7.241 -10.171 10.532 1.00 0.59 H new ATOM 0 HA SER A 61 6.901 -9.720 12.671 1.00 0.66 H new ATOM 0 HB2 SER A 61 9.139 -7.662 12.545 1.00 0.74 H new ATOM 0 HB3 SER A 61 8.483 -8.415 13.985 1.00 0.74 H new ATOM 0 HG SER A 61 10.440 -9.441 13.271 1.00 1.14 H new ATOM 415 N PRO A 62 5.138 -7.940 12.246 1.00 0.67 N ATOM 416 CA PRO A 62 4.126 -6.897 12.342 1.00 0.71 C ATOM 417 C PRO A 62 3.825 -6.510 13.784 1.00 0.83 C ATOM 418 O PRO A 62 3.680 -7.370 14.652 1.00 1.10 O ATOM 419 CB PRO A 62 2.905 -7.548 11.702 1.00 0.72 C ATOM 420 CG PRO A 62 3.064 -9.015 11.942 1.00 0.68 C ATOM 421 CD PRO A 62 4.536 -9.281 12.158 1.00 0.65 C ATOM 0 HA PRO A 62 4.442 -5.971 11.862 1.00 0.71 H new ATOM 0 HB2 PRO A 62 1.983 -7.175 12.147 1.00 0.72 H new ATOM 0 HB3 PRO A 62 2.856 -7.328 10.636 1.00 0.72 H new ATOM 0 HG2 PRO A 62 2.486 -9.326 12.812 1.00 0.68 H new ATOM 0 HG3 PRO A 62 2.692 -9.586 11.091 1.00 0.68 H new ATOM 0 HD2 PRO A 62 4.707 -9.855 13.069 1.00 0.65 H new ATOM 0 HD3 PRO A 62 4.962 -9.855 11.335 1.00 0.65 H new ATOM 429 N VAL A 63 3.721 -5.217 14.036 1.00 0.70 N ATOM 430 CA VAL A 63 3.409 -4.725 15.362 1.00 0.79 C ATOM 431 C VAL A 63 1.983 -4.182 15.418 1.00 0.78 C ATOM 432 O VAL A 63 1.643 -3.217 14.735 1.00 0.72 O ATOM 433 CB VAL A 63 4.411 -3.646 15.823 1.00 0.83 C ATOM 434 CG1 VAL A 63 5.747 -4.275 16.192 1.00 1.60 C ATOM 435 CG2 VAL A 63 4.610 -2.593 14.745 1.00 1.66 C ATOM 0 H VAL A 63 3.849 -4.488 13.335 1.00 0.70 H new ATOM 0 HA VAL A 63 3.491 -5.569 16.047 1.00 0.79 H new ATOM 0 HB VAL A 63 3.996 -3.161 16.707 1.00 0.83 H new ATOM 0 HG11 VAL A 63 6.439 -3.497 16.514 1.00 1.60 H new ATOM 0 HG12 VAL A 63 5.601 -4.989 17.002 1.00 1.60 H new ATOM 0 HG13 VAL A 63 6.159 -4.790 15.324 1.00 1.60 H new ATOM 0 HG21 VAL A 63 5.321 -1.844 15.095 1.00 1.66 H new ATOM 0 HG22 VAL A 63 4.996 -3.065 13.842 1.00 1.66 H new ATOM 0 HG23 VAL A 63 3.656 -2.113 14.525 1.00 1.66 H new ATOM 445 N ASN A 64 1.148 -4.835 16.221 1.00 0.92 N ATOM 446 CA ASN A 64 -0.265 -4.469 16.368 1.00 1.00 C ATOM 447 C ASN A 64 -1.009 -4.508 15.033 1.00 0.91 C ATOM 448 O ASN A 64 -1.998 -3.800 14.842 1.00 0.97 O ATOM 449 CB ASN A 64 -0.419 -3.086 17.024 1.00 1.05 C ATOM 450 CG ASN A 64 -0.053 -3.103 18.494 1.00 1.25 C ATOM 451 OD1 ASN A 64 -0.882 -3.405 19.352 1.00 1.98 O ATOM 452 ND2 ASN A 64 1.185 -2.759 18.799 1.00 1.61 N ATOM 0 H ASN A 64 1.428 -5.634 16.790 1.00 0.92 H new ATOM 0 HA ASN A 64 -0.715 -5.215 17.022 1.00 1.00 H new ATOM 0 HB2 ASN A 64 0.213 -2.367 16.503 1.00 1.05 H new ATOM 0 HB3 ASN A 64 -1.448 -2.746 16.912 1.00 1.05 H new ATOM 0 HD21 ASN A 64 1.483 -2.737 19.774 1.00 1.61 H new ATOM 0 HD22 ASN A 64 1.844 -2.515 18.059 1.00 1.61 H new ATOM 459 N GLY A 65 -0.544 -5.359 14.123 1.00 0.83 N ATOM 460 CA GLY A 65 -1.226 -5.541 12.853 1.00 0.78 C ATOM 461 C GLY A 65 -0.676 -4.664 11.744 1.00 0.59 C ATOM 462 O GLY A 65 -1.128 -4.741 10.609 1.00 0.59 O ATOM 0 H GLY A 65 0.295 -5.927 14.243 1.00 0.83 H new ATOM 0 HA2 GLY A 65 -1.147 -6.586 12.553 1.00 0.78 H new ATOM 0 HA3 GLY A 65 -2.287 -5.326 12.984 1.00 0.78 H new ATOM 466 N LYS A 66 0.297 -3.826 12.067 1.00 0.51 N ATOM 467 CA LYS A 66 0.926 -2.976 11.065 1.00 0.40 C ATOM 468 C LYS A 66 2.436 -3.144 11.095 1.00 0.36 C ATOM 469 O LYS A 66 3.021 -3.304 12.160 1.00 0.55 O ATOM 470 CB LYS A 66 0.584 -1.503 11.305 1.00 0.52 C ATOM 471 CG LYS A 66 -0.817 -1.098 10.866 1.00 0.70 C ATOM 472 CD LYS A 66 -1.091 0.357 11.216 1.00 0.74 C ATOM 473 CE LYS A 66 -2.479 0.812 10.771 1.00 0.74 C ATOM 474 NZ LYS A 66 -2.549 1.107 9.313 1.00 0.97 N ATOM 0 H LYS A 66 0.668 -3.716 13.011 1.00 0.51 H new ATOM 0 HA LYS A 66 0.544 -3.278 10.090 1.00 0.40 H new ATOM 0 HB2 LYS A 66 0.694 -1.286 12.368 1.00 0.52 H new ATOM 0 HB3 LYS A 66 1.309 -0.884 10.776 1.00 0.52 H new ATOM 0 HG2 LYS A 66 -0.923 -1.245 9.791 1.00 0.70 H new ATOM 0 HG3 LYS A 66 -1.554 -1.739 11.350 1.00 0.70 H new ATOM 0 HD2 LYS A 66 -0.995 0.493 12.293 1.00 0.74 H new ATOM 0 HD3 LYS A 66 -0.337 0.989 10.747 1.00 0.74 H new ATOM 0 HE2 LYS A 66 -3.206 0.038 11.016 1.00 0.74 H new ATOM 0 HE3 LYS A 66 -2.761 1.703 11.331 1.00 0.74 H new ATOM 0 HZ1 LYS A 66 -2.937 2.061 9.170 1.00 0.97 H new ATOM 0 HZ2 LYS A 66 -1.595 1.056 8.902 1.00 0.97 H new ATOM 0 HZ3 LYS A 66 -3.165 0.410 8.847 1.00 0.97 H new ATOM 488 N ILE A 67 3.069 -3.125 9.937 1.00 0.30 N ATOM 489 CA ILE A 67 4.518 -3.076 9.889 1.00 0.29 C ATOM 490 C ILE A 67 4.961 -1.646 9.644 1.00 0.28 C ATOM 491 O ILE A 67 4.349 -0.920 8.855 1.00 0.37 O ATOM 492 CB ILE A 67 5.135 -3.994 8.809 1.00 0.30 C ATOM 493 CG1 ILE A 67 4.595 -3.647 7.419 1.00 0.29 C ATOM 494 CG2 ILE A 67 4.880 -5.453 9.145 1.00 0.32 C ATOM 495 CD1 ILE A 67 5.223 -4.448 6.298 1.00 0.31 C ATOM 0 H ILE A 67 2.609 -3.143 9.027 1.00 0.30 H new ATOM 0 HA ILE A 67 4.876 -3.443 10.851 1.00 0.29 H new ATOM 0 HB ILE A 67 6.212 -3.830 8.795 1.00 0.30 H new ATOM 0 HG12 ILE A 67 3.517 -3.809 7.408 1.00 0.29 H new ATOM 0 HG13 ILE A 67 4.760 -2.586 7.231 1.00 0.29 H new ATOM 0 HG21 ILE A 67 5.321 -6.086 8.375 1.00 0.32 H new ATOM 0 HG22 ILE A 67 5.330 -5.688 10.110 1.00 0.32 H new ATOM 0 HG23 ILE A 67 3.806 -5.633 9.192 1.00 0.32 H new ATOM 0 HD11 ILE A 67 4.788 -4.144 5.346 1.00 0.31 H new ATOM 0 HD12 ILE A 67 6.298 -4.268 6.280 1.00 0.31 H new ATOM 0 HD13 ILE A 67 5.036 -5.509 6.460 1.00 0.31 H new ATOM 507 N THR A 68 6.003 -1.230 10.340 1.00 0.28 N ATOM 508 CA THR A 68 6.531 0.109 10.168 1.00 0.26 C ATOM 509 C THR A 68 7.239 0.250 8.828 1.00 0.25 C ATOM 510 O THR A 68 7.568 -0.751 8.177 1.00 0.31 O ATOM 511 CB THR A 68 7.496 0.475 11.306 1.00 0.31 C ATOM 512 OG1 THR A 68 8.217 -0.694 11.715 1.00 1.31 O ATOM 513 CG2 THR A 68 6.747 1.074 12.490 1.00 1.12 C ATOM 0 H THR A 68 6.498 -1.798 11.027 1.00 0.28 H new ATOM 0 HA THR A 68 5.686 0.797 10.192 1.00 0.26 H new ATOM 0 HB THR A 68 8.197 1.226 10.940 1.00 0.31 H new ATOM 0 HG1 THR A 68 8.834 -0.461 12.440 1.00 1.31 H new ATOM 0 HG21 THR A 68 7.455 1.323 13.280 1.00 1.12 H new ATOM 0 HG22 THR A 68 6.226 1.977 12.172 1.00 1.12 H new ATOM 0 HG23 THR A 68 6.023 0.351 12.866 1.00 1.12 H new ATOM 521 N GLY A 69 7.476 1.491 8.431 1.00 0.24 N ATOM 522 CA GLY A 69 8.112 1.767 7.159 1.00 0.26 C ATOM 523 C GLY A 69 9.450 1.073 6.998 1.00 0.25 C ATOM 524 O GLY A 69 9.875 0.803 5.883 1.00 0.33 O ATOM 0 H GLY A 69 7.236 2.321 8.974 1.00 0.24 H new ATOM 0 HA2 GLY A 69 7.448 1.454 6.353 1.00 0.26 H new ATOM 0 HA3 GLY A 69 8.253 2.843 7.056 1.00 0.26 H new ATOM 528 N ALA A 70 10.104 0.767 8.112 1.00 0.23 N ATOM 529 CA ALA A 70 11.395 0.100 8.081 1.00 0.24 C ATOM 530 C ALA A 70 11.280 -1.289 7.461 1.00 0.22 C ATOM 531 O ALA A 70 12.111 -1.685 6.646 1.00 0.25 O ATOM 532 CB ALA A 70 11.974 0.004 9.483 1.00 0.27 C ATOM 0 H ALA A 70 9.758 0.972 9.050 1.00 0.23 H new ATOM 0 HA ALA A 70 12.067 0.694 7.461 1.00 0.24 H new ATOM 0 HB1 ALA A 70 12.941 -0.498 9.444 1.00 0.27 H new ATOM 0 HB2 ALA A 70 12.101 1.006 9.893 1.00 0.27 H new ATOM 0 HB3 ALA A 70 11.295 -0.565 10.119 1.00 0.27 H new ATOM 538 N ASN A 71 10.237 -2.024 7.833 1.00 0.29 N ATOM 539 CA ASN A 71 10.054 -3.387 7.343 1.00 0.32 C ATOM 540 C ASN A 71 9.541 -3.367 5.923 1.00 0.24 C ATOM 541 O ASN A 71 10.006 -4.121 5.067 1.00 0.20 O ATOM 542 CB ASN A 71 9.086 -4.168 8.231 1.00 0.48 C ATOM 543 CG ASN A 71 9.475 -4.098 9.688 1.00 0.69 C ATOM 544 OD1 ASN A 71 10.303 -4.876 10.163 1.00 1.79 O ATOM 545 ND2 ASN A 71 8.882 -3.160 10.404 1.00 0.71 N ATOM 0 H ASN A 71 9.508 -1.701 8.469 1.00 0.29 H new ATOM 0 HA ASN A 71 11.023 -3.885 7.370 1.00 0.32 H new ATOM 0 HB2 ASN A 71 8.078 -3.772 8.105 1.00 0.48 H new ATOM 0 HB3 ASN A 71 9.061 -5.210 7.912 1.00 0.48 H new ATOM 0 HD21 ASN A 71 9.104 -3.057 11.394 1.00 0.71 H new ATOM 0 HD22 ASN A 71 8.202 -2.538 9.967 1.00 0.71 H new ATOM 552 N ALA A 72 8.591 -2.482 5.685 1.00 0.26 N ATOM 553 CA ALA A 72 8.038 -2.296 4.351 1.00 0.26 C ATOM 554 C ALA A 72 9.135 -1.900 3.368 1.00 0.20 C ATOM 555 O ALA A 72 9.188 -2.393 2.246 1.00 0.21 O ATOM 556 CB ALA A 72 6.945 -1.245 4.377 1.00 0.32 C ATOM 0 H ALA A 72 8.183 -1.878 6.399 1.00 0.26 H new ATOM 0 HA ALA A 72 7.605 -3.240 4.020 1.00 0.26 H new ATOM 0 HB1 ALA A 72 6.540 -1.116 3.373 1.00 0.32 H new ATOM 0 HB2 ALA A 72 6.150 -1.564 5.051 1.00 0.32 H new ATOM 0 HB3 ALA A 72 7.358 -0.299 4.726 1.00 0.32 H new ATOM 562 N LYS A 73 10.028 -1.028 3.814 1.00 0.19 N ATOM 563 CA LYS A 73 11.131 -0.563 2.985 1.00 0.17 C ATOM 564 C LYS A 73 12.140 -1.683 2.780 1.00 0.18 C ATOM 565 O LYS A 73 12.722 -1.801 1.711 1.00 0.20 O ATOM 566 CB LYS A 73 11.797 0.660 3.631 1.00 0.19 C ATOM 567 CG LYS A 73 13.003 1.215 2.883 1.00 0.31 C ATOM 568 CD LYS A 73 13.543 2.451 3.585 1.00 0.58 C ATOM 569 CE LYS A 73 14.803 2.988 2.921 1.00 0.91 C ATOM 570 NZ LYS A 73 15.296 4.220 3.597 1.00 1.36 N ATOM 0 H LYS A 73 10.010 -0.626 4.751 1.00 0.19 H new ATOM 0 HA LYS A 73 10.744 -0.268 2.010 1.00 0.17 H new ATOM 0 HB2 LYS A 73 11.053 1.451 3.725 1.00 0.19 H new ATOM 0 HB3 LYS A 73 12.108 0.393 4.641 1.00 0.19 H new ATOM 0 HG2 LYS A 73 13.782 0.455 2.822 1.00 0.31 H new ATOM 0 HG3 LYS A 73 12.721 1.465 1.860 1.00 0.31 H new ATOM 0 HD2 LYS A 73 12.778 3.227 3.589 1.00 0.58 H new ATOM 0 HD3 LYS A 73 13.758 2.210 4.626 1.00 0.58 H new ATOM 0 HE2 LYS A 73 15.580 2.224 2.943 1.00 0.91 H new ATOM 0 HE3 LYS A 73 14.598 3.205 1.872 1.00 0.91 H new ATOM 0 HZ1 LYS A 73 16.266 4.424 3.282 1.00 1.36 H new ATOM 0 HZ2 LYS A 73 14.678 5.020 3.354 1.00 1.36 H new ATOM 0 HZ3 LYS A 73 15.289 4.077 4.627 1.00 1.36 H new ATOM 584 N LYS A 74 12.341 -2.510 3.807 1.00 0.20 N ATOM 585 CA LYS A 74 13.201 -3.687 3.670 1.00 0.23 C ATOM 586 C LYS A 74 12.738 -4.544 2.496 1.00 0.20 C ATOM 587 O LYS A 74 13.546 -4.975 1.668 1.00 0.22 O ATOM 588 CB LYS A 74 13.212 -4.531 4.952 1.00 0.31 C ATOM 589 CG LYS A 74 14.092 -3.971 6.061 1.00 1.15 C ATOM 590 CD LYS A 74 14.135 -4.897 7.273 1.00 1.35 C ATOM 591 CE LYS A 74 12.758 -5.066 7.900 1.00 1.67 C ATOM 592 NZ LYS A 74 12.782 -5.899 9.134 1.00 2.48 N ATOM 0 H LYS A 74 11.926 -2.390 4.731 1.00 0.20 H new ATOM 0 HA LYS A 74 14.216 -3.334 3.487 1.00 0.23 H new ATOM 0 HB2 LYS A 74 12.191 -4.620 5.324 1.00 0.31 H new ATOM 0 HB3 LYS A 74 13.551 -5.538 4.708 1.00 0.31 H new ATOM 0 HG2 LYS A 74 15.103 -3.821 5.682 1.00 1.15 H new ATOM 0 HG3 LYS A 74 13.717 -2.993 6.364 1.00 1.15 H new ATOM 0 HD2 LYS A 74 14.521 -5.871 6.973 1.00 1.35 H new ATOM 0 HD3 LYS A 74 14.826 -4.495 8.014 1.00 1.35 H new ATOM 0 HE2 LYS A 74 12.350 -4.084 8.138 1.00 1.67 H new ATOM 0 HE3 LYS A 74 12.087 -5.522 7.173 1.00 1.67 H new ATOM 0 HZ1 LYS A 74 11.944 -5.687 9.713 1.00 2.48 H new ATOM 0 HZ2 LYS A 74 12.777 -6.906 8.873 1.00 2.48 H new ATOM 0 HZ3 LYS A 74 13.642 -5.687 9.679 1.00 2.48 H new ATOM 606 N GLU A 75 11.428 -4.775 2.431 1.00 0.21 N ATOM 607 CA GLU A 75 10.827 -5.528 1.336 1.00 0.22 C ATOM 608 C GLU A 75 11.066 -4.809 0.008 1.00 0.20 C ATOM 609 O GLU A 75 11.597 -5.392 -0.937 1.00 0.24 O ATOM 610 CB GLU A 75 9.320 -5.715 1.615 1.00 0.29 C ATOM 611 CG GLU A 75 8.532 -6.426 0.519 1.00 0.33 C ATOM 612 CD GLU A 75 8.198 -5.512 -0.640 1.00 1.30 C ATOM 613 OE1 GLU A 75 7.447 -4.540 -0.424 1.00 2.16 O ATOM 614 OE2 GLU A 75 8.705 -5.752 -1.756 1.00 1.35 O ATOM 0 H GLU A 75 10.760 -4.448 3.129 1.00 0.21 H new ATOM 0 HA GLU A 75 11.291 -6.512 1.264 1.00 0.22 H new ATOM 0 HB2 GLU A 75 9.207 -6.277 2.542 1.00 0.29 H new ATOM 0 HB3 GLU A 75 8.875 -4.734 1.780 1.00 0.29 H new ATOM 0 HG2 GLU A 75 9.109 -7.275 0.153 1.00 0.33 H new ATOM 0 HG3 GLU A 75 7.609 -6.826 0.940 1.00 0.33 H new ATOM 621 N MET A 76 10.709 -3.529 -0.038 1.00 0.19 N ATOM 622 CA MET A 76 10.828 -2.729 -1.254 1.00 0.20 C ATOM 623 C MET A 76 12.251 -2.724 -1.797 1.00 0.22 C ATOM 624 O MET A 76 12.472 -2.821 -3.005 1.00 0.29 O ATOM 625 CB MET A 76 10.404 -1.296 -0.986 1.00 0.22 C ATOM 626 CG MET A 76 8.960 -1.161 -0.564 1.00 0.24 C ATOM 627 SD MET A 76 8.362 0.525 -0.739 1.00 0.39 S ATOM 628 CE MET A 76 6.609 0.284 -0.553 1.00 0.51 C ATOM 0 H MET A 76 10.331 -3.019 0.761 1.00 0.19 H new ATOM 0 HA MET A 76 10.174 -3.184 -1.998 1.00 0.20 H new ATOM 0 HB2 MET A 76 11.042 -0.877 -0.208 1.00 0.22 H new ATOM 0 HB3 MET A 76 10.568 -0.703 -1.886 1.00 0.22 H new ATOM 0 HG2 MET A 76 8.343 -1.829 -1.165 1.00 0.24 H new ATOM 0 HG3 MET A 76 8.855 -1.477 0.474 1.00 0.24 H new ATOM 0 HE1 MET A 76 6.106 0.537 -1.486 1.00 0.51 H new ATOM 0 HE2 MET A 76 6.409 -0.758 -0.304 1.00 0.51 H new ATOM 0 HE3 MET A 76 6.236 0.925 0.246 1.00 0.51 H new ATOM 638 N VAL A 77 13.208 -2.601 -0.895 1.00 0.20 N ATOM 639 CA VAL A 77 14.613 -2.564 -1.268 1.00 0.26 C ATOM 640 C VAL A 77 15.070 -3.928 -1.795 1.00 0.27 C ATOM 641 O VAL A 77 15.936 -4.006 -2.668 1.00 0.32 O ATOM 642 CB VAL A 77 15.500 -2.110 -0.082 1.00 0.37 C ATOM 643 CG1 VAL A 77 16.974 -2.152 -0.441 1.00 1.34 C ATOM 644 CG2 VAL A 77 15.126 -0.705 0.357 1.00 0.96 C ATOM 0 H VAL A 77 13.037 -2.525 0.108 1.00 0.20 H new ATOM 0 HA VAL A 77 14.725 -1.831 -2.067 1.00 0.26 H new ATOM 0 HB VAL A 77 15.325 -2.806 0.739 1.00 0.37 H new ATOM 0 HG11 VAL A 77 17.566 -1.827 0.414 1.00 1.34 H new ATOM 0 HG12 VAL A 77 17.254 -3.170 -0.710 1.00 1.34 H new ATOM 0 HG13 VAL A 77 17.162 -1.489 -1.285 1.00 1.34 H new ATOM 0 HG21 VAL A 77 15.760 -0.404 1.191 1.00 0.96 H new ATOM 0 HG22 VAL A 77 15.267 -0.014 -0.474 1.00 0.96 H new ATOM 0 HG23 VAL A 77 14.082 -0.687 0.670 1.00 0.96 H new ATOM 654 N LYS A 78 14.470 -5.002 -1.285 1.00 0.27 N ATOM 655 CA LYS A 78 14.743 -6.337 -1.818 1.00 0.32 C ATOM 656 C LYS A 78 14.113 -6.496 -3.201 1.00 0.32 C ATOM 657 O LYS A 78 14.605 -7.258 -4.037 1.00 0.40 O ATOM 658 CB LYS A 78 14.215 -7.430 -0.886 1.00 0.43 C ATOM 659 CG LYS A 78 14.941 -7.525 0.445 1.00 0.59 C ATOM 660 CD LYS A 78 14.443 -8.714 1.258 1.00 0.83 C ATOM 661 CE LYS A 78 15.127 -8.800 2.612 1.00 1.36 C ATOM 662 NZ LYS A 78 14.683 -9.995 3.385 1.00 2.20 N ATOM 0 H LYS A 78 13.801 -4.977 -0.515 1.00 0.27 H new ATOM 0 HA LYS A 78 15.825 -6.445 -1.896 1.00 0.32 H new ATOM 0 HB2 LYS A 78 13.157 -7.249 -0.697 1.00 0.43 H new ATOM 0 HB3 LYS A 78 14.288 -8.391 -1.395 1.00 0.43 H new ATOM 0 HG2 LYS A 78 16.013 -7.622 0.272 1.00 0.59 H new ATOM 0 HG3 LYS A 78 14.791 -6.605 1.011 1.00 0.59 H new ATOM 0 HD2 LYS A 78 13.365 -8.631 1.400 1.00 0.83 H new ATOM 0 HD3 LYS A 78 14.621 -9.634 0.702 1.00 0.83 H new ATOM 0 HE2 LYS A 78 16.207 -8.840 2.471 1.00 1.36 H new ATOM 0 HE3 LYS A 78 14.913 -7.897 3.185 1.00 1.36 H new ATOM 0 HZ1 LYS A 78 15.173 -10.017 4.302 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 13.656 -9.945 3.542 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 14.910 -10.858 2.851 1.00 2.20 H new ATOM 676 N SER A 79 13.029 -5.764 -3.434 1.00 0.29 N ATOM 677 CA SER A 79 12.365 -5.760 -4.731 1.00 0.33 C ATOM 678 C SER A 79 13.171 -4.964 -5.761 1.00 0.33 C ATOM 679 O SER A 79 12.932 -5.073 -6.964 1.00 0.42 O ATOM 680 CB SER A 79 10.944 -5.208 -4.588 1.00 0.37 C ATOM 681 OG SER A 79 10.105 -6.153 -3.947 1.00 0.91 O ATOM 0 H SER A 79 12.590 -5.163 -2.737 1.00 0.29 H new ATOM 0 HA SER A 79 12.302 -6.786 -5.094 1.00 0.33 H new ATOM 0 HB2 SER A 79 10.964 -4.282 -4.013 1.00 0.37 H new ATOM 0 HB3 SER A 79 10.542 -4.964 -5.571 1.00 0.37 H new ATOM 0 HG SER A 79 9.571 -5.703 -3.259 1.00 0.91 H new ATOM 687 N LYS A 80 14.127 -4.171 -5.268 1.00 0.31 N ATOM 688 CA LYS A 80 15.116 -3.486 -6.112 1.00 0.35 C ATOM 689 C LYS A 80 14.518 -2.310 -6.894 1.00 0.31 C ATOM 690 O LYS A 80 15.054 -1.906 -7.929 1.00 0.38 O ATOM 691 CB LYS A 80 15.773 -4.482 -7.082 1.00 0.47 C ATOM 692 CG LYS A 80 16.451 -5.653 -6.388 1.00 0.63 C ATOM 693 CD LYS A 80 16.913 -6.698 -7.388 1.00 1.03 C ATOM 694 CE LYS A 80 17.464 -7.932 -6.689 1.00 1.56 C ATOM 695 NZ LYS A 80 16.446 -8.582 -5.814 1.00 2.37 N ATOM 0 H LYS A 80 14.239 -3.984 -4.271 1.00 0.31 H new ATOM 0 HA LYS A 80 15.870 -3.075 -5.441 1.00 0.35 H new ATOM 0 HB2 LYS A 80 15.014 -4.865 -7.765 1.00 0.47 H new ATOM 0 HB3 LYS A 80 16.509 -3.954 -7.688 1.00 0.47 H new ATOM 0 HG2 LYS A 80 17.305 -5.293 -5.815 1.00 0.63 H new ATOM 0 HG3 LYS A 80 15.760 -6.107 -5.678 1.00 0.63 H new ATOM 0 HD2 LYS A 80 16.079 -6.983 -8.029 1.00 1.03 H new ATOM 0 HD3 LYS A 80 17.680 -6.271 -8.034 1.00 1.03 H new ATOM 0 HE2 LYS A 80 17.810 -8.647 -7.436 1.00 1.56 H new ATOM 0 HE3 LYS A 80 18.331 -7.652 -6.090 1.00 1.56 H new ATOM 0 HZ1 LYS A 80 16.789 -9.519 -5.520 1.00 2.37 H new ATOM 0 HZ2 LYS A 80 16.284 -7.992 -4.973 1.00 2.37 H new ATOM 0 HZ3 LYS A 80 15.554 -8.689 -6.339 1.00 2.37 H new ATOM 709 N LEU A 81 13.430 -1.742 -6.398 1.00 0.30 N ATOM 710 CA LEU A 81 12.847 -0.566 -7.037 1.00 0.32 C ATOM 711 C LEU A 81 13.490 0.708 -6.489 1.00 0.33 C ATOM 712 O LEU A 81 14.064 0.706 -5.401 1.00 0.35 O ATOM 713 CB LEU A 81 11.324 -0.506 -6.849 1.00 0.35 C ATOM 714 CG LEU A 81 10.485 -1.470 -7.703 1.00 0.47 C ATOM 715 CD1 LEU A 81 10.753 -1.245 -9.182 1.00 1.35 C ATOM 716 CD2 LEU A 81 10.741 -2.918 -7.329 1.00 0.87 C ATOM 0 H LEU A 81 12.936 -2.068 -5.567 1.00 0.30 H new ATOM 0 HA LEU A 81 13.047 -0.644 -8.106 1.00 0.32 H new ATOM 0 HB2 LEU A 81 11.103 -0.700 -5.800 1.00 0.35 H new ATOM 0 HB3 LEU A 81 10.995 0.511 -7.061 1.00 0.35 H new ATOM 0 HG LEU A 81 9.435 -1.259 -7.501 1.00 0.47 H new ATOM 0 HD11 LEU A 81 10.150 -1.937 -9.770 1.00 1.35 H new ATOM 0 HD12 LEU A 81 10.492 -0.220 -9.447 1.00 1.35 H new ATOM 0 HD13 LEU A 81 11.809 -1.416 -9.391 1.00 1.35 H new ATOM 0 HD21 LEU A 81 10.130 -3.569 -7.954 1.00 0.87 H new ATOM 0 HD22 LEU A 81 11.794 -3.153 -7.482 1.00 0.87 H new ATOM 0 HD23 LEU A 81 10.483 -3.074 -6.282 1.00 0.87 H new ATOM 728 N PRO A 82 13.414 1.808 -7.249 1.00 0.34 N ATOM 729 CA PRO A 82 14.015 3.092 -6.865 1.00 0.38 C ATOM 730 C PRO A 82 13.214 3.839 -5.795 1.00 0.35 C ATOM 731 O PRO A 82 12.009 3.624 -5.642 1.00 0.35 O ATOM 732 CB PRO A 82 14.003 3.876 -8.177 1.00 0.41 C ATOM 733 CG PRO A 82 12.836 3.329 -8.926 1.00 0.44 C ATOM 734 CD PRO A 82 12.741 1.883 -8.558 1.00 0.36 C ATOM 0 HA PRO A 82 15.002 2.959 -6.423 1.00 0.38 H new ATOM 0 HB2 PRO A 82 13.895 4.946 -7.999 1.00 0.41 H new ATOM 0 HB3 PRO A 82 14.931 3.737 -8.731 1.00 0.41 H new ATOM 0 HG2 PRO A 82 11.921 3.859 -8.661 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.973 3.448 -10.001 1.00 0.44 H new ATOM 0 HD2 PRO A 82 11.704 1.554 -8.494 1.00 0.36 H new ATOM 0 HD3 PRO A 82 13.231 1.249 -9.297 1.00 0.36 H new ATOM 742 N ASN A 83 13.901 4.730 -5.075 1.00 0.35 N ATOM 743 CA ASN A 83 13.291 5.538 -4.010 1.00 0.37 C ATOM 744 C ASN A 83 12.064 6.291 -4.507 1.00 0.33 C ATOM 745 O ASN A 83 11.048 6.354 -3.818 1.00 0.34 O ATOM 746 CB ASN A 83 14.303 6.552 -3.470 1.00 0.47 C ATOM 747 CG ASN A 83 15.314 5.945 -2.517 1.00 1.11 C ATOM 748 OD1 ASN A 83 16.303 5.349 -2.936 1.00 1.94 O ATOM 749 ND2 ASN A 83 15.089 6.135 -1.227 1.00 1.73 N ATOM 0 H ASN A 83 14.895 4.913 -5.212 1.00 0.35 H new ATOM 0 HA ASN A 83 12.985 4.852 -3.220 1.00 0.37 H new ATOM 0 HB2 ASN A 83 14.832 7.007 -4.307 1.00 0.47 H new ATOM 0 HB3 ASN A 83 13.767 7.352 -2.959 1.00 0.47 H new ATOM 0 HD21 ASN A 83 15.751 5.781 -0.536 1.00 1.73 H new ATOM 0 HD22 ASN A 83 14.254 6.636 -0.923 1.00 1.73 H new ATOM 756 N THR A 84 12.174 6.864 -5.698 1.00 0.35 N ATOM 757 CA THR A 84 11.094 7.633 -6.304 1.00 0.39 C ATOM 758 C THR A 84 9.809 6.819 -6.408 1.00 0.32 C ATOM 759 O THR A 84 8.761 7.205 -5.878 1.00 0.33 O ATOM 760 CB THR A 84 11.506 8.097 -7.709 1.00 0.48 C ATOM 761 OG1 THR A 84 12.081 6.996 -8.429 1.00 1.02 O ATOM 762 CG2 THR A 84 12.509 9.233 -7.633 1.00 1.04 C ATOM 0 H THR A 84 13.015 6.809 -6.272 1.00 0.35 H new ATOM 0 HA THR A 84 10.906 8.493 -5.661 1.00 0.39 H new ATOM 0 HB THR A 84 10.617 8.456 -8.228 1.00 0.48 H new ATOM 0 HG1 THR A 84 12.342 7.292 -9.326 1.00 1.02 H new ATOM 0 HG21 THR A 84 12.785 9.543 -8.641 1.00 1.04 H new ATOM 0 HG22 THR A 84 12.065 10.075 -7.103 1.00 1.04 H new ATOM 0 HG23 THR A 84 13.399 8.898 -7.101 1.00 1.04 H new ATOM 770 N VAL A 85 9.901 5.676 -7.079 1.00 0.30 N ATOM 771 CA VAL A 85 8.740 4.825 -7.302 1.00 0.28 C ATOM 772 C VAL A 85 8.166 4.321 -5.984 1.00 0.22 C ATOM 773 O VAL A 85 6.957 4.372 -5.775 1.00 0.20 O ATOM 774 CB VAL A 85 9.081 3.636 -8.222 1.00 0.33 C ATOM 775 CG1 VAL A 85 7.874 2.731 -8.433 1.00 0.34 C ATOM 776 CG2 VAL A 85 9.598 4.138 -9.556 1.00 0.41 C ATOM 0 H VAL A 85 10.769 5.318 -7.478 1.00 0.30 H new ATOM 0 HA VAL A 85 7.985 5.435 -7.798 1.00 0.28 H new ATOM 0 HB VAL A 85 9.859 3.048 -7.735 1.00 0.33 H new ATOM 0 HG11 VAL A 85 8.150 1.903 -9.086 1.00 0.34 H new ATOM 0 HG12 VAL A 85 7.541 2.339 -7.472 1.00 0.34 H new ATOM 0 HG13 VAL A 85 7.067 3.302 -8.892 1.00 0.34 H new ATOM 0 HG21 VAL A 85 9.835 3.289 -10.197 1.00 0.41 H new ATOM 0 HG22 VAL A 85 8.835 4.752 -10.034 1.00 0.41 H new ATOM 0 HG23 VAL A 85 10.496 4.735 -9.397 1.00 0.41 H new ATOM 786 N LEU A 86 9.036 3.866 -5.088 1.00 0.24 N ATOM 787 CA LEU A 86 8.594 3.378 -3.785 1.00 0.25 C ATOM 788 C LEU A 86 7.946 4.506 -2.987 1.00 0.21 C ATOM 789 O LEU A 86 7.006 4.282 -2.228 1.00 0.23 O ATOM 790 CB LEU A 86 9.771 2.792 -3.002 1.00 0.33 C ATOM 791 CG LEU A 86 10.538 1.677 -3.716 1.00 0.37 C ATOM 792 CD1 LEU A 86 11.748 1.256 -2.895 1.00 0.44 C ATOM 793 CD2 LEU A 86 9.626 0.490 -3.988 1.00 0.37 C ATOM 0 H LEU A 86 10.044 3.825 -5.238 1.00 0.24 H new ATOM 0 HA LEU A 86 7.857 2.592 -3.947 1.00 0.25 H new ATOM 0 HB2 LEU A 86 10.467 3.597 -2.767 1.00 0.33 H new ATOM 0 HB3 LEU A 86 9.399 2.405 -2.053 1.00 0.33 H new ATOM 0 HG LEU A 86 10.892 2.057 -4.674 1.00 0.37 H new ATOM 0 HD11 LEU A 86 12.283 0.462 -3.416 1.00 0.44 H new ATOM 0 HD12 LEU A 86 12.410 2.111 -2.758 1.00 0.44 H new ATOM 0 HD13 LEU A 86 11.419 0.893 -1.921 1.00 0.44 H new ATOM 0 HD21 LEU A 86 10.189 -0.293 -4.496 1.00 0.37 H new ATOM 0 HD22 LEU A 86 9.239 0.105 -3.045 1.00 0.37 H new ATOM 0 HD23 LEU A 86 8.795 0.807 -4.618 1.00 0.37 H new ATOM 805 N GLY A 87 8.445 5.723 -3.186 1.00 0.21 N ATOM 806 CA GLY A 87 7.910 6.879 -2.496 1.00 0.22 C ATOM 807 C GLY A 87 6.471 7.163 -2.872 1.00 0.21 C ATOM 808 O GLY A 87 5.623 7.374 -1.996 1.00 0.23 O ATOM 0 H GLY A 87 9.218 5.928 -3.820 1.00 0.21 H new ATOM 0 HA2 GLY A 87 7.976 6.719 -1.420 1.00 0.22 H new ATOM 0 HA3 GLY A 87 8.522 7.751 -2.727 1.00 0.22 H new ATOM 812 N LYS A 88 6.183 7.172 -4.169 1.00 0.22 N ATOM 813 CA LYS A 88 4.819 7.420 -4.627 1.00 0.29 C ATOM 814 C LYS A 88 3.930 6.202 -4.377 1.00 0.22 C ATOM 815 O LYS A 88 2.748 6.348 -4.061 1.00 0.24 O ATOM 816 CB LYS A 88 4.783 7.860 -6.100 1.00 0.48 C ATOM 817 CG LYS A 88 5.620 7.018 -7.046 1.00 0.97 C ATOM 818 CD LYS A 88 5.582 7.589 -8.458 1.00 0.80 C ATOM 819 CE LYS A 88 6.608 6.919 -9.360 1.00 1.23 C ATOM 820 NZ LYS A 88 6.698 7.567 -10.698 1.00 1.71 N ATOM 0 H LYS A 88 6.863 7.013 -4.912 1.00 0.22 H new ATOM 0 HA LYS A 88 4.418 8.248 -4.042 1.00 0.29 H new ATOM 0 HB2 LYS A 88 3.748 7.843 -6.443 1.00 0.48 H new ATOM 0 HB3 LYS A 88 5.122 8.894 -6.162 1.00 0.48 H new ATOM 0 HG2 LYS A 88 6.650 6.981 -6.692 1.00 0.97 H new ATOM 0 HG3 LYS A 88 5.248 5.993 -7.053 1.00 0.97 H new ATOM 0 HD2 LYS A 88 4.585 7.456 -8.878 1.00 0.80 H new ATOM 0 HD3 LYS A 88 5.773 8.662 -8.423 1.00 0.80 H new ATOM 0 HE2 LYS A 88 7.585 6.949 -8.879 1.00 1.23 H new ATOM 0 HE3 LYS A 88 6.346 5.868 -9.485 1.00 1.23 H new ATOM 0 HZ1 LYS A 88 7.410 7.075 -11.275 1.00 1.71 H new ATOM 0 HZ2 LYS A 88 5.773 7.516 -11.171 1.00 1.71 H new ATOM 0 HZ3 LYS A 88 6.974 8.563 -10.583 1.00 1.71 H new ATOM 834 N ILE A 89 4.504 5.001 -4.479 1.00 0.20 N ATOM 835 CA ILE A 89 3.772 3.782 -4.146 1.00 0.20 C ATOM 836 C ILE A 89 3.339 3.821 -2.685 1.00 0.19 C ATOM 837 O ILE A 89 2.213 3.460 -2.354 1.00 0.21 O ATOM 838 CB ILE A 89 4.609 2.503 -4.414 1.00 0.23 C ATOM 839 CG1 ILE A 89 4.766 2.283 -5.922 1.00 0.31 C ATOM 840 CG2 ILE A 89 3.966 1.286 -3.758 1.00 0.22 C ATOM 841 CD1 ILE A 89 5.553 1.039 -6.279 1.00 0.40 C ATOM 0 H ILE A 89 5.465 4.849 -4.787 1.00 0.20 H new ATOM 0 HA ILE A 89 2.895 3.740 -4.792 1.00 0.20 H new ATOM 0 HB ILE A 89 5.597 2.638 -3.975 1.00 0.23 H new ATOM 0 HG12 ILE A 89 3.777 2.219 -6.375 1.00 0.31 H new ATOM 0 HG13 ILE A 89 5.260 3.152 -6.357 1.00 0.31 H new ATOM 0 HG21 ILE A 89 4.571 0.402 -3.960 1.00 0.22 H new ATOM 0 HG22 ILE A 89 3.902 1.444 -2.681 1.00 0.22 H new ATOM 0 HG23 ILE A 89 2.965 1.141 -4.163 1.00 0.22 H new ATOM 0 HD11 ILE A 89 5.622 0.951 -7.363 1.00 0.40 H new ATOM 0 HD12 ILE A 89 6.555 1.109 -5.856 1.00 0.40 H new ATOM 0 HD13 ILE A 89 5.049 0.161 -5.875 1.00 0.40 H new ATOM 853 N TRP A 90 4.236 4.290 -1.820 1.00 0.19 N ATOM 854 CA TRP A 90 3.932 4.442 -0.403 1.00 0.22 C ATOM 855 C TRP A 90 2.777 5.415 -0.210 1.00 0.24 C ATOM 856 O TRP A 90 1.817 5.115 0.491 1.00 0.28 O ATOM 857 CB TRP A 90 5.163 4.942 0.361 1.00 0.25 C ATOM 858 CG TRP A 90 4.924 5.101 1.832 1.00 0.30 C ATOM 859 CD1 TRP A 90 4.427 6.202 2.467 1.00 0.45 C ATOM 860 CD2 TRP A 90 5.181 4.132 2.851 1.00 0.23 C ATOM 861 NE1 TRP A 90 4.346 5.972 3.817 1.00 0.46 N ATOM 862 CE2 TRP A 90 4.804 4.709 4.078 1.00 0.32 C ATOM 863 CE3 TRP A 90 5.689 2.833 2.845 1.00 0.16 C ATOM 864 CZ2 TRP A 90 4.918 4.031 5.284 1.00 0.29 C ATOM 865 CZ3 TRP A 90 5.801 2.161 4.046 1.00 0.18 C ATOM 866 CH2 TRP A 90 5.417 2.760 5.251 1.00 0.19 C ATOM 0 H TRP A 90 5.182 4.571 -2.079 1.00 0.19 H new ATOM 0 HA TRP A 90 3.645 3.467 -0.010 1.00 0.22 H new ATOM 0 HB2 TRP A 90 5.986 4.244 0.207 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.476 5.900 -0.055 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.139 7.121 1.978 1.00 0.45 H new ATOM 0 HE1 TRP A 90 4.001 6.634 4.512 1.00 0.46 H new ATOM 0 HE3 TRP A 90 5.989 2.363 1.920 1.00 0.16 H new ATOM 0 HZ2 TRP A 90 4.623 4.492 6.215 1.00 0.29 H new ATOM 0 HZ3 TRP A 90 6.192 1.154 4.056 1.00 0.18 H new ATOM 0 HH2 TRP A 90 5.517 2.206 6.173 1.00 0.19 H new ATOM 877 N LYS A 91 2.864 6.570 -0.861 1.00 0.24 N ATOM 878 CA LYS A 91 1.865 7.619 -0.682 1.00 0.30 C ATOM 879 C LYS A 91 0.505 7.219 -1.251 1.00 0.29 C ATOM 880 O LYS A 91 -0.504 7.873 -0.981 1.00 0.36 O ATOM 881 CB LYS A 91 2.342 8.924 -1.315 1.00 0.40 C ATOM 882 CG LYS A 91 3.604 9.465 -0.667 1.00 0.53 C ATOM 883 CD LYS A 91 4.012 10.810 -1.244 1.00 1.04 C ATOM 884 CE LYS A 91 5.233 11.373 -0.532 1.00 1.51 C ATOM 885 NZ LYS A 91 6.451 10.552 -0.773 1.00 2.40 N ATOM 0 H LYS A 91 3.612 6.804 -1.514 1.00 0.24 H new ATOM 0 HA LYS A 91 1.739 7.767 0.391 1.00 0.30 H new ATOM 0 HB2 LYS A 91 2.525 8.762 -2.377 1.00 0.40 H new ATOM 0 HB3 LYS A 91 1.551 9.670 -1.238 1.00 0.40 H new ATOM 0 HG2 LYS A 91 3.445 9.565 0.407 1.00 0.53 H new ATOM 0 HG3 LYS A 91 4.416 8.751 -0.804 1.00 0.53 H new ATOM 0 HD2 LYS A 91 4.227 10.701 -2.307 1.00 1.04 H new ATOM 0 HD3 LYS A 91 3.182 11.512 -1.157 1.00 1.04 H new ATOM 0 HE2 LYS A 91 5.411 12.393 -0.871 1.00 1.51 H new ATOM 0 HE3 LYS A 91 5.036 11.423 0.539 1.00 1.51 H new ATOM 0 HZ1 LYS A 91 6.805 10.182 0.132 1.00 2.40 H new ATOM 0 HZ2 LYS A 91 6.216 9.759 -1.403 1.00 2.40 H new ATOM 0 HZ3 LYS A 91 7.184 11.141 -1.217 1.00 2.40 H new ATOM 899 N LEU A 92 0.480 6.162 -2.053 1.00 0.27 N ATOM 900 CA LEU A 92 -0.775 5.623 -2.565 1.00 0.32 C ATOM 901 C LEU A 92 -1.292 4.510 -1.665 1.00 0.30 C ATOM 902 O LEU A 92 -2.448 4.530 -1.237 1.00 0.43 O ATOM 903 CB LEU A 92 -0.589 5.074 -3.974 1.00 0.40 C ATOM 904 CG LEU A 92 -0.141 6.089 -5.017 1.00 0.59 C ATOM 905 CD1 LEU A 92 0.294 5.369 -6.274 1.00 0.85 C ATOM 906 CD2 LEU A 92 -1.258 7.077 -5.321 1.00 1.08 C ATOM 0 H LEU A 92 1.313 5.661 -2.363 1.00 0.27 H new ATOM 0 HA LEU A 92 -1.500 6.437 -2.585 1.00 0.32 H new ATOM 0 HB2 LEU A 92 0.144 4.268 -3.938 1.00 0.40 H new ATOM 0 HB3 LEU A 92 -1.531 4.634 -4.301 1.00 0.40 H new ATOM 0 HG LEU A 92 0.704 6.652 -4.622 1.00 0.59 H new ATOM 0 HD11 LEU A 92 0.614 6.098 -7.019 1.00 0.85 H new ATOM 0 HD12 LEU A 92 1.122 4.700 -6.042 1.00 0.85 H new ATOM 0 HD13 LEU A 92 -0.541 4.790 -6.669 1.00 0.85 H new ATOM 0 HD21 LEU A 92 -0.917 7.793 -6.068 1.00 1.08 H new ATOM 0 HD22 LEU A 92 -2.126 6.539 -5.703 1.00 1.08 H new ATOM 0 HD23 LEU A 92 -1.533 7.607 -4.409 1.00 1.08 H new ATOM 918 N ALA A 93 -0.416 3.552 -1.379 1.00 0.22 N ATOM 919 CA ALA A 93 -0.782 2.366 -0.620 1.00 0.21 C ATOM 920 C ALA A 93 -1.060 2.699 0.835 1.00 0.19 C ATOM 921 O ALA A 93 -1.916 2.079 1.465 1.00 0.30 O ATOM 922 CB ALA A 93 0.315 1.321 -0.716 1.00 0.23 C ATOM 0 H ALA A 93 0.562 3.577 -1.666 1.00 0.22 H new ATOM 0 HA ALA A 93 -1.699 1.965 -1.053 1.00 0.21 H new ATOM 0 HB1 ALA A 93 0.028 0.439 -0.144 1.00 0.23 H new ATOM 0 HB2 ALA A 93 0.463 1.044 -1.760 1.00 0.23 H new ATOM 0 HB3 ALA A 93 1.242 1.729 -0.314 1.00 0.23 H new ATOM 928 N ASP A 94 -0.340 3.678 1.370 1.00 0.18 N ATOM 929 CA ASP A 94 -0.563 4.087 2.751 1.00 0.18 C ATOM 930 C ASP A 94 -1.706 5.079 2.806 1.00 0.33 C ATOM 931 O ASP A 94 -1.511 6.294 2.752 1.00 0.45 O ATOM 932 CB ASP A 94 0.689 4.681 3.406 1.00 0.30 C ATOM 933 CG ASP A 94 0.466 4.982 4.881 1.00 0.25 C ATOM 934 OD1 ASP A 94 -0.384 4.305 5.516 1.00 0.30 O ATOM 935 OD2 ASP A 94 1.139 5.885 5.423 1.00 0.31 O ATOM 0 H ASP A 94 0.390 4.195 0.880 1.00 0.18 H new ATOM 0 HA ASP A 94 -0.816 3.192 3.319 1.00 0.18 H new ATOM 0 HB2 ASP A 94 1.521 3.985 3.299 1.00 0.30 H new ATOM 0 HB3 ASP A 94 0.971 5.597 2.887 1.00 0.30 H new ATOM 940 N VAL A 95 -2.903 4.532 2.890 1.00 0.51 N ATOM 941 CA VAL A 95 -4.123 5.317 2.861 1.00 0.71 C ATOM 942 C VAL A 95 -4.293 6.169 4.107 1.00 0.72 C ATOM 943 O VAL A 95 -4.894 7.244 4.055 1.00 0.80 O ATOM 944 CB VAL A 95 -5.361 4.419 2.698 1.00 0.97 C ATOM 945 CG1 VAL A 95 -5.496 3.962 1.254 1.00 1.28 C ATOM 946 CG2 VAL A 95 -5.296 3.217 3.628 1.00 0.95 C ATOM 0 H VAL A 95 -3.058 3.528 2.981 1.00 0.51 H new ATOM 0 HA VAL A 95 -4.034 5.979 1.999 1.00 0.71 H new ATOM 0 HB VAL A 95 -6.239 5.006 2.967 1.00 0.97 H new ATOM 0 HG11 VAL A 95 -6.376 3.327 1.154 1.00 1.28 H new ATOM 0 HG12 VAL A 95 -5.600 4.832 0.605 1.00 1.28 H new ATOM 0 HG13 VAL A 95 -4.608 3.399 0.966 1.00 1.28 H new ATOM 0 HG21 VAL A 95 -6.185 2.601 3.490 1.00 0.95 H new ATOM 0 HG22 VAL A 95 -4.408 2.628 3.400 1.00 0.95 H new ATOM 0 HG23 VAL A 95 -5.249 3.559 4.662 1.00 0.95 H new ATOM 956 N ASP A 96 -3.776 5.688 5.227 1.00 0.70 N ATOM 957 CA ASP A 96 -3.893 6.417 6.483 1.00 0.78 C ATOM 958 C ASP A 96 -2.984 7.621 6.475 1.00 0.75 C ATOM 959 O ASP A 96 -3.220 8.591 7.195 1.00 0.88 O ATOM 960 CB ASP A 96 -3.458 5.588 7.680 1.00 0.96 C ATOM 961 CG ASP A 96 -3.869 4.145 7.649 1.00 0.75 C ATOM 962 OD1 ASP A 96 -5.024 3.838 7.985 1.00 1.02 O ATOM 963 OD2 ASP A 96 -2.993 3.310 7.328 1.00 1.12 O ATOM 0 H ASP A 96 -3.274 4.802 5.294 1.00 0.70 H new ATOM 0 HA ASP A 96 -4.946 6.686 6.570 1.00 0.78 H new ATOM 0 HB2 ASP A 96 -2.372 5.637 7.759 1.00 0.96 H new ATOM 0 HB3 ASP A 96 -3.864 6.044 8.583 1.00 0.96 H new ATOM 968 N LYS A 97 -1.937 7.538 5.654 1.00 0.66 N ATOM 969 CA LYS A 97 -0.831 8.480 5.710 1.00 0.70 C ATOM 970 C LYS A 97 -0.230 8.429 7.110 1.00 0.70 C ATOM 971 O LYS A 97 0.144 9.450 7.690 1.00 0.86 O ATOM 972 CB LYS A 97 -1.303 9.898 5.372 1.00 0.86 C ATOM 973 CG LYS A 97 -2.361 9.930 4.286 1.00 0.89 C ATOM 974 CD LYS A 97 -2.438 11.295 3.633 1.00 1.15 C ATOM 975 CE LYS A 97 -3.513 11.335 2.562 1.00 1.38 C ATOM 976 NZ LYS A 97 -3.636 12.686 1.962 1.00 1.68 N ATOM 0 H LYS A 97 -1.836 6.819 4.938 1.00 0.66 H new ATOM 0 HA LYS A 97 -0.076 8.207 4.972 1.00 0.70 H new ATOM 0 HB2 LYS A 97 -1.701 10.366 6.272 1.00 0.86 H new ATOM 0 HB3 LYS A 97 -0.447 10.493 5.055 1.00 0.86 H new ATOM 0 HG2 LYS A 97 -2.134 9.176 3.532 1.00 0.89 H new ATOM 0 HG3 LYS A 97 -3.331 9.673 4.712 1.00 0.89 H new ATOM 0 HD2 LYS A 97 -2.647 12.051 4.390 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -1.473 11.544 3.192 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -3.278 10.610 1.783 1.00 1.38 H new ATOM 0 HE3 LYS A 97 -4.469 11.040 2.994 1.00 1.38 H new ATOM 0 HZ1 LYS A 97 -4.379 12.676 1.235 1.00 1.68 H new ATOM 0 HZ2 LYS A 97 -3.884 13.373 2.702 1.00 1.68 H new ATOM 0 HZ3 LYS A 97 -2.731 12.957 1.528 1.00 1.68 H new ATOM 990 N ASP A 98 -0.135 7.211 7.637 1.00 0.56 N ATOM 991 CA ASP A 98 0.234 6.999 9.031 1.00 0.59 C ATOM 992 C ASP A 98 1.640 6.430 9.148 1.00 0.45 C ATOM 993 O ASP A 98 2.081 6.067 10.239 1.00 0.46 O ATOM 994 CB ASP A 98 -0.781 6.063 9.719 1.00 0.67 C ATOM 995 CG ASP A 98 -0.735 4.605 9.247 1.00 0.62 C ATOM 996 OD1 ASP A 98 -0.701 4.342 8.015 1.00 0.58 O ATOM 997 OD2 ASP A 98 -0.795 3.705 10.106 1.00 0.71 O ATOM 0 H ASP A 98 -0.310 6.352 7.115 1.00 0.56 H new ATOM 0 HA ASP A 98 0.219 7.966 9.533 1.00 0.59 H new ATOM 0 HB2 ASP A 98 -0.605 6.088 10.794 1.00 0.67 H new ATOM 0 HB3 ASP A 98 -1.785 6.453 9.551 1.00 0.67 H new ATOM 1002 N GLY A 99 2.357 6.395 8.029 1.00 0.39 N ATOM 1003 CA GLY A 99 3.721 5.900 8.036 1.00 0.38 C ATOM 1004 C GLY A 99 3.786 4.434 8.419 1.00 0.29 C ATOM 1005 O GLY A 99 4.821 3.939 8.856 1.00 0.39 O ATOM 0 H GLY A 99 2.017 6.701 7.117 1.00 0.39 H new ATOM 0 HA2 GLY A 99 4.163 6.038 7.049 1.00 0.38 H new ATOM 0 HA3 GLY A 99 4.317 6.485 8.736 1.00 0.38 H new ATOM 1009 N LEU A 100 2.670 3.747 8.235 1.00 0.28 N ATOM 1010 CA LEU A 100 2.535 2.362 8.627 1.00 0.33 C ATOM 1011 C LEU A 100 1.744 1.615 7.577 1.00 0.29 C ATOM 1012 O LEU A 100 0.817 2.170 6.989 1.00 0.39 O ATOM 1013 CB LEU A 100 1.813 2.265 9.970 1.00 0.53 C ATOM 1014 CG LEU A 100 2.692 2.383 11.213 1.00 0.59 C ATOM 1015 CD1 LEU A 100 1.838 2.605 12.449 1.00 1.37 C ATOM 1016 CD2 LEU A 100 3.524 1.126 11.382 1.00 1.11 C ATOM 0 H LEU A 100 1.832 4.140 7.807 1.00 0.28 H new ATOM 0 HA LEU A 100 3.527 1.922 8.722 1.00 0.33 H new ATOM 0 HB2 LEU A 100 1.055 3.047 10.010 1.00 0.53 H new ATOM 0 HB3 LEU A 100 1.288 1.310 10.010 1.00 0.53 H new ATOM 0 HG LEU A 100 3.356 3.238 11.088 1.00 0.59 H new ATOM 0 HD11 LEU A 100 2.481 2.687 13.325 1.00 1.37 H new ATOM 0 HD12 LEU A 100 1.263 3.524 12.334 1.00 1.37 H new ATOM 0 HD13 LEU A 100 1.156 1.764 12.576 1.00 1.37 H new ATOM 0 HD21 LEU A 100 4.148 1.219 12.271 1.00 1.11 H new ATOM 0 HD22 LEU A 100 2.864 0.265 11.490 1.00 1.11 H new ATOM 0 HD23 LEU A 100 4.159 0.989 10.506 1.00 1.11 H new ATOM 1028 N LEU A 101 2.110 0.370 7.345 1.00 0.28 N ATOM 1029 CA LEU A 101 1.391 -0.467 6.407 1.00 0.27 C ATOM 1030 C LEU A 101 0.876 -1.712 7.111 1.00 0.27 C ATOM 1031 O LEU A 101 1.663 -2.525 7.593 1.00 0.31 O ATOM 1032 CB LEU A 101 2.286 -0.889 5.239 1.00 0.29 C ATOM 1033 CG LEU A 101 2.842 0.247 4.379 1.00 0.30 C ATOM 1034 CD1 LEU A 101 3.628 -0.324 3.208 1.00 0.34 C ATOM 1035 CD2 LEU A 101 1.723 1.148 3.877 1.00 0.34 C ATOM 0 H LEU A 101 2.904 -0.085 7.795 1.00 0.28 H new ATOM 0 HA LEU A 101 0.556 0.114 6.016 1.00 0.27 H new ATOM 0 HB2 LEU A 101 3.124 -1.461 5.637 1.00 0.29 H new ATOM 0 HB3 LEU A 101 1.718 -1.561 4.596 1.00 0.29 H new ATOM 0 HG LEU A 101 3.509 0.850 4.995 1.00 0.30 H new ATOM 0 HD11 LEU A 101 4.020 0.492 2.601 1.00 0.34 H new ATOM 0 HD12 LEU A 101 4.455 -0.927 3.584 1.00 0.34 H new ATOM 0 HD13 LEU A 101 2.973 -0.947 2.599 1.00 0.34 H new ATOM 0 HD21 LEU A 101 2.145 1.948 3.268 1.00 0.34 H new ATOM 0 HD22 LEU A 101 1.027 0.563 3.276 1.00 0.34 H new ATOM 0 HD23 LEU A 101 1.194 1.580 4.727 1.00 0.34 H new ATOM 1047 N ASP A 102 -0.438 -1.843 7.216 1.00 0.28 N ATOM 1048 CA ASP A 102 -1.029 -3.098 7.671 1.00 0.33 C ATOM 1049 C ASP A 102 -1.044 -4.084 6.516 1.00 0.26 C ATOM 1050 O ASP A 102 -0.550 -3.770 5.434 1.00 0.24 O ATOM 1051 CB ASP A 102 -2.442 -2.888 8.220 1.00 0.44 C ATOM 1052 CG ASP A 102 -3.271 -1.978 7.351 1.00 0.82 C ATOM 1053 OD1 ASP A 102 -3.857 -2.478 6.369 1.00 1.39 O ATOM 1054 OD2 ASP A 102 -3.342 -0.770 7.646 1.00 1.06 O ATOM 0 H ASP A 102 -1.110 -1.108 6.996 1.00 0.28 H new ATOM 0 HA ASP A 102 -0.425 -3.495 8.487 1.00 0.33 H new ATOM 0 HB2 ASP A 102 -2.941 -3.853 8.309 1.00 0.44 H new ATOM 0 HB3 ASP A 102 -2.379 -2.468 9.224 1.00 0.44 H new ATOM 1059 N ASP A 103 -1.594 -5.269 6.733 1.00 0.32 N ATOM 1060 CA ASP A 103 -1.573 -6.306 5.707 1.00 0.35 C ATOM 1061 C ASP A 103 -2.278 -5.844 4.434 1.00 0.26 C ATOM 1062 O ASP A 103 -1.882 -6.218 3.328 1.00 0.24 O ATOM 1063 CB ASP A 103 -2.179 -7.612 6.234 1.00 0.56 C ATOM 1064 CG ASP A 103 -3.584 -7.451 6.781 1.00 0.77 C ATOM 1065 OD1 ASP A 103 -3.737 -6.896 7.886 1.00 1.69 O ATOM 1066 OD2 ASP A 103 -4.546 -7.858 6.091 1.00 1.17 O ATOM 0 H ASP A 103 -2.057 -5.537 7.601 1.00 0.32 H new ATOM 0 HA ASP A 103 -0.531 -6.499 5.452 1.00 0.35 H new ATOM 0 HB2 ASP A 103 -2.193 -8.347 5.429 1.00 0.56 H new ATOM 0 HB3 ASP A 103 -1.536 -8.011 7.019 1.00 0.56 H new ATOM 1071 N GLU A 104 -3.276 -4.988 4.589 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.004 -4.452 3.451 1.00 0.25 C ATOM 1073 C GLU A 104 -3.126 -3.468 2.684 1.00 0.22 C ATOM 1074 O GLU A 104 -2.846 -3.666 1.500 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.275 -3.754 3.932 1.00 0.32 C ATOM 1076 CG GLU A 104 -6.127 -4.615 4.845 1.00 0.32 C ATOM 1077 CD GLU A 104 -6.848 -5.725 4.107 1.00 1.28 C ATOM 1078 OE1 GLU A 104 -6.195 -6.729 3.757 1.00 2.29 O ATOM 1079 OE2 GLU A 104 -8.065 -5.603 3.870 1.00 1.38 O ATOM 0 H GLU A 104 -3.601 -4.649 5.495 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.277 -5.271 2.786 1.00 0.25 H new ATOM 0 HB2 GLU A 104 -5.001 -2.840 4.458 1.00 0.32 H new ATOM 0 HB3 GLU A 104 -5.868 -3.458 3.066 1.00 0.32 H new ATOM 0 HG2 GLU A 104 -5.495 -5.051 5.619 1.00 0.32 H new ATOM 0 HG3 GLU A 104 -6.860 -3.986 5.350 1.00 0.32 H new ATOM 1086 N GLU A 105 -2.663 -2.431 3.376 1.00 0.18 N ATOM 1087 CA GLU A 105 -1.833 -1.400 2.751 1.00 0.18 C ATOM 1088 C GLU A 105 -0.589 -2.021 2.116 1.00 0.17 C ATOM 1089 O GLU A 105 -0.172 -1.642 1.019 1.00 0.17 O ATOM 1090 CB GLU A 105 -1.407 -0.347 3.779 1.00 0.20 C ATOM 1091 CG GLU A 105 -2.558 0.335 4.502 1.00 0.24 C ATOM 1092 CD GLU A 105 -2.094 1.512 5.336 1.00 0.31 C ATOM 1093 OE1 GLU A 105 -1.523 1.321 6.428 1.00 0.34 O ATOM 1094 OE2 GLU A 105 -2.278 2.664 4.919 1.00 0.39 O ATOM 0 H GLU A 105 -2.847 -2.280 4.368 1.00 0.18 H new ATOM 0 HA GLU A 105 -2.429 -0.919 1.976 1.00 0.18 H new ATOM 0 HB2 GLU A 105 -0.761 -0.821 4.518 1.00 0.20 H new ATOM 0 HB3 GLU A 105 -0.811 0.413 3.275 1.00 0.20 H new ATOM 0 HG2 GLU A 105 -3.292 0.676 3.772 1.00 0.24 H new ATOM 0 HG3 GLU A 105 -3.060 -0.388 5.145 1.00 0.24 H new ATOM 1101 N PHE A 106 -0.018 -2.996 2.811 1.00 0.17 N ATOM 1102 CA PHE A 106 1.195 -3.668 2.365 1.00 0.18 C ATOM 1103 C PHE A 106 0.919 -4.536 1.139 1.00 0.18 C ATOM 1104 O PHE A 106 1.781 -4.697 0.275 1.00 0.21 O ATOM 1105 CB PHE A 106 1.773 -4.507 3.512 1.00 0.21 C ATOM 1106 CG PHE A 106 3.028 -5.247 3.159 1.00 0.22 C ATOM 1107 CD1 PHE A 106 4.163 -4.556 2.779 1.00 0.25 C ATOM 1108 CD2 PHE A 106 3.074 -6.632 3.215 1.00 0.25 C ATOM 1109 CE1 PHE A 106 5.326 -5.229 2.460 1.00 0.28 C ATOM 1110 CE2 PHE A 106 4.235 -7.311 2.896 1.00 0.29 C ATOM 1111 CZ PHE A 106 5.341 -6.628 2.490 1.00 0.29 C ATOM 0 H PHE A 106 -0.382 -3.343 3.698 1.00 0.17 H new ATOM 0 HA PHE A 106 1.928 -2.915 2.076 1.00 0.18 H new ATOM 0 HB2 PHE A 106 1.976 -3.852 4.359 1.00 0.21 H new ATOM 0 HB3 PHE A 106 1.020 -5.225 3.837 1.00 0.21 H new ATOM 0 HD1 PHE A 106 4.140 -3.477 2.731 1.00 0.25 H new ATOM 0 HD2 PHE A 106 2.195 -7.185 3.511 1.00 0.25 H new ATOM 0 HE1 PHE A 106 6.216 -4.680 2.190 1.00 0.28 H new ATOM 0 HE2 PHE A 106 4.265 -8.388 2.969 1.00 0.29 H new ATOM 0 HZ PHE A 106 6.229 -7.166 2.191 1.00 0.29 H new ATOM 1121 N ALA A 107 -0.303 -5.040 1.030 1.00 0.19 N ATOM 1122 CA ALA A 107 -0.651 -5.929 -0.065 1.00 0.24 C ATOM 1123 C ALA A 107 -0.888 -5.106 -1.307 1.00 0.23 C ATOM 1124 O ALA A 107 -0.450 -5.446 -2.407 1.00 0.25 O ATOM 1125 CB ALA A 107 -1.885 -6.745 0.273 1.00 0.34 C ATOM 0 H ALA A 107 -1.063 -4.849 1.682 1.00 0.19 H new ATOM 0 HA ALA A 107 0.170 -6.625 -0.237 1.00 0.24 H new ATOM 0 HB1 ALA A 107 -2.126 -7.403 -0.562 1.00 0.34 H new ATOM 0 HB2 ALA A 107 -1.693 -7.344 1.163 1.00 0.34 H new ATOM 0 HB3 ALA A 107 -2.724 -6.075 0.461 1.00 0.34 H new ATOM 1131 N LEU A 108 -1.576 -4.001 -1.107 1.00 0.24 N ATOM 1132 CA LEU A 108 -1.804 -3.035 -2.156 1.00 0.28 C ATOM 1133 C LEU A 108 -0.470 -2.474 -2.651 1.00 0.23 C ATOM 1134 O LEU A 108 -0.247 -2.340 -3.860 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.714 -1.924 -1.628 1.00 0.38 C ATOM 1136 CG LEU A 108 -2.814 -0.698 -2.518 1.00 0.93 C ATOM 1137 CD1 LEU A 108 -3.415 -1.056 -3.873 1.00 1.74 C ATOM 1138 CD2 LEU A 108 -3.625 0.390 -1.831 1.00 1.31 C ATOM 0 H LEU A 108 -1.992 -3.749 -0.211 1.00 0.24 H new ATOM 0 HA LEU A 108 -2.296 -3.515 -3.002 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -3.714 -2.332 -1.484 1.00 0.38 H new ATOM 0 HB3 LEU A 108 -2.352 -1.614 -0.648 1.00 0.38 H new ATOM 0 HG LEU A 108 -1.808 -0.316 -2.692 1.00 0.93 H new ATOM 0 HD11 LEU A 108 -3.476 -0.161 -4.492 1.00 1.74 H new ATOM 0 HD12 LEU A 108 -2.785 -1.796 -4.366 1.00 1.74 H new ATOM 0 HD13 LEU A 108 -4.414 -1.467 -3.731 1.00 1.74 H new ATOM 0 HD21 LEU A 108 -3.688 1.262 -2.481 1.00 1.31 H new ATOM 0 HD22 LEU A 108 -4.629 0.019 -1.623 1.00 1.31 H new ATOM 0 HD23 LEU A 108 -3.140 0.669 -0.895 1.00 1.31 H new ATOM 1150 N ALA A 109 0.424 -2.179 -1.709 1.00 0.23 N ATOM 1151 CA ALA A 109 1.767 -1.713 -2.037 1.00 0.24 C ATOM 1152 C ALA A 109 2.493 -2.729 -2.903 1.00 0.23 C ATOM 1153 O ALA A 109 3.008 -2.397 -3.970 1.00 0.24 O ATOM 1154 CB ALA A 109 2.570 -1.453 -0.771 1.00 0.27 C ATOM 0 H ALA A 109 0.240 -2.255 -0.709 1.00 0.23 H new ATOM 0 HA ALA A 109 1.670 -0.780 -2.593 1.00 0.24 H new ATOM 0 HB1 ALA A 109 3.568 -1.106 -1.038 1.00 0.27 H new ATOM 0 HB2 ALA A 109 2.070 -0.692 -0.173 1.00 0.27 H new ATOM 0 HB3 ALA A 109 2.648 -2.374 -0.194 1.00 0.27 H new ATOM 1160 N ASN A 110 2.513 -3.975 -2.440 1.00 0.24 N ATOM 1161 CA ASN A 110 3.180 -5.058 -3.159 1.00 0.26 C ATOM 1162 C ASN A 110 2.555 -5.293 -4.527 1.00 0.25 C ATOM 1163 O ASN A 110 3.218 -5.757 -5.450 1.00 0.26 O ATOM 1164 CB ASN A 110 3.149 -6.347 -2.335 1.00 0.28 C ATOM 1165 CG ASN A 110 4.305 -6.437 -1.353 1.00 0.31 C ATOM 1166 OD1 ASN A 110 4.846 -5.293 -0.963 1.00 0.70 O flip ATOM 1167 ND2 ASN A 110 4.711 -7.530 -0.957 1.00 0.55 N flip ATOM 0 H ASN A 110 2.073 -4.262 -1.566 1.00 0.24 H new ATOM 0 HA ASN A 110 4.217 -4.759 -3.313 1.00 0.26 H new ATOM 0 HB2 ASN A 110 2.207 -6.403 -1.789 1.00 0.28 H new ATOM 0 HB3 ASN A 110 3.179 -7.205 -3.007 1.00 0.28 H new ATOM 0 HD21 ASN A 110 4.266 -8.388 -1.283 1.00 0.55 H new ATOM 0 HD22 ASN A 110 5.493 -7.577 -0.303 1.00 0.55 H new ATOM 1174 N HIS A 111 1.280 -4.965 -4.664 1.00 0.24 N ATOM 1175 CA HIS A 111 0.611 -5.072 -5.949 1.00 0.26 C ATOM 1176 C HIS A 111 1.192 -4.057 -6.919 1.00 0.24 C ATOM 1177 O HIS A 111 1.521 -4.404 -8.045 1.00 0.27 O ATOM 1178 CB HIS A 111 -0.897 -4.868 -5.793 1.00 0.28 C ATOM 1179 CG HIS A 111 -1.699 -5.281 -6.994 1.00 0.44 C ATOM 1180 ND1 HIS A 111 -2.239 -6.545 -7.136 1.00 0.62 N ATOM 1181 CD2 HIS A 111 -2.055 -4.597 -8.109 1.00 0.61 C ATOM 1182 CE1 HIS A 111 -2.896 -6.615 -8.280 1.00 0.75 C ATOM 1183 NE2 HIS A 111 -2.800 -5.449 -8.887 1.00 0.73 N ATOM 0 H HIS A 111 0.691 -4.624 -3.904 1.00 0.24 H new ATOM 0 HA HIS A 111 0.775 -6.073 -6.347 1.00 0.26 H new ATOM 0 HB2 HIS A 111 -1.242 -5.434 -4.927 1.00 0.28 H new ATOM 0 HB3 HIS A 111 -1.091 -3.816 -5.584 1.00 0.28 H new ATOM 0 HD2 HIS A 111 -1.800 -3.574 -8.342 1.00 0.61 H new ATOM 0 HE1 HIS A 111 -3.422 -7.481 -8.654 1.00 0.75 H new ATOM 0 HE2 HIS A 111 -3.213 -5.217 -9.790 1.00 0.73 H new ATOM 1192 N LEU A 112 1.337 -2.814 -6.470 1.00 0.24 N ATOM 1193 CA LEU A 112 1.949 -1.774 -7.298 1.00 0.23 C ATOM 1194 C LEU A 112 3.397 -2.139 -7.620 1.00 0.24 C ATOM 1195 O LEU A 112 3.855 -1.985 -8.760 1.00 0.27 O ATOM 1196 CB LEU A 112 1.894 -0.418 -6.587 1.00 0.23 C ATOM 1197 CG LEU A 112 0.488 0.080 -6.250 1.00 0.20 C ATOM 1198 CD1 LEU A 112 0.553 1.373 -5.452 1.00 0.23 C ATOM 1199 CD2 LEU A 112 -0.323 0.276 -7.522 1.00 0.22 C ATOM 0 H LEU A 112 1.042 -2.501 -5.545 1.00 0.24 H new ATOM 0 HA LEU A 112 1.388 -1.701 -8.229 1.00 0.23 H new ATOM 0 HB2 LEU A 112 2.470 -0.485 -5.664 1.00 0.23 H new ATOM 0 HB3 LEU A 112 2.385 0.325 -7.216 1.00 0.23 H new ATOM 0 HG LEU A 112 -0.007 -0.673 -5.637 1.00 0.20 H new ATOM 0 HD11 LEU A 112 -0.458 1.710 -5.223 1.00 0.23 H new ATOM 0 HD12 LEU A 112 1.097 1.201 -4.524 1.00 0.23 H new ATOM 0 HD13 LEU A 112 1.066 2.136 -6.037 1.00 0.23 H new ATOM 0 HD21 LEU A 112 -1.321 0.631 -7.266 1.00 0.22 H new ATOM 0 HD22 LEU A 112 0.171 1.010 -8.159 1.00 0.22 H new ATOM 0 HD23 LEU A 112 -0.400 -0.672 -8.054 1.00 0.22 H new ATOM 1211 N ILE A 113 4.099 -2.649 -6.612 1.00 0.28 N ATOM 1212 CA ILE A 113 5.497 -3.041 -6.757 1.00 0.32 C ATOM 1213 C ILE A 113 5.659 -4.144 -7.802 1.00 0.35 C ATOM 1214 O ILE A 113 6.468 -4.014 -8.721 1.00 0.38 O ATOM 1215 CB ILE A 113 6.097 -3.506 -5.409 1.00 0.37 C ATOM 1216 CG1 ILE A 113 6.066 -2.355 -4.399 1.00 0.37 C ATOM 1217 CG2 ILE A 113 7.523 -4.014 -5.598 1.00 0.46 C ATOM 1218 CD1 ILE A 113 6.592 -2.717 -3.029 1.00 0.43 C ATOM 0 H ILE A 113 3.718 -2.801 -5.678 1.00 0.28 H new ATOM 0 HA ILE A 113 6.041 -2.158 -7.093 1.00 0.32 H new ATOM 0 HB ILE A 113 5.494 -4.329 -5.025 1.00 0.37 H new ATOM 0 HG12 ILE A 113 6.652 -1.525 -4.793 1.00 0.37 H new ATOM 0 HG13 ILE A 113 5.040 -2.001 -4.300 1.00 0.37 H new ATOM 0 HG21 ILE A 113 7.925 -4.336 -4.637 1.00 0.46 H new ATOM 0 HG22 ILE A 113 7.521 -4.856 -6.291 1.00 0.46 H new ATOM 0 HG23 ILE A 113 8.144 -3.214 -6.002 1.00 0.46 H new ATOM 0 HD11 ILE A 113 6.535 -1.846 -2.376 1.00 0.43 H new ATOM 0 HD12 ILE A 113 5.992 -3.525 -2.611 1.00 0.43 H new ATOM 0 HD13 ILE A 113 7.629 -3.041 -3.112 1.00 0.43 H new ATOM 1230 N LYS A 114 4.873 -5.217 -7.687 1.00 0.38 N ATOM 1231 CA LYS A 114 4.997 -6.326 -8.628 1.00 0.46 C ATOM 1232 C LYS A 114 4.412 -5.937 -9.982 1.00 0.45 C ATOM 1233 O LYS A 114 4.750 -6.530 -11.001 1.00 0.49 O ATOM 1234 CB LYS A 114 4.355 -7.626 -8.110 1.00 0.57 C ATOM 1235 CG LYS A 114 2.852 -7.746 -8.326 1.00 0.71 C ATOM 1236 CD LYS A 114 2.402 -9.185 -8.096 1.00 0.79 C ATOM 1237 CE LYS A 114 0.901 -9.365 -8.266 1.00 1.39 C ATOM 1238 NZ LYS A 114 0.499 -10.781 -8.041 1.00 1.81 N ATOM 0 H LYS A 114 4.160 -5.339 -6.968 1.00 0.38 H new ATOM 0 HA LYS A 114 6.062 -6.531 -8.740 1.00 0.46 H new ATOM 0 HB2 LYS A 114 4.843 -8.471 -8.596 1.00 0.57 H new ATOM 0 HB3 LYS A 114 4.559 -7.711 -7.043 1.00 0.57 H new ATOM 0 HG2 LYS A 114 2.325 -7.079 -7.644 1.00 0.71 H new ATOM 0 HG3 LYS A 114 2.596 -7.434 -9.339 1.00 0.71 H new ATOM 0 HD2 LYS A 114 2.924 -9.840 -8.793 1.00 0.79 H new ATOM 0 HD3 LYS A 114 2.690 -9.495 -7.091 1.00 0.79 H new ATOM 0 HE2 LYS A 114 0.373 -8.719 -7.565 1.00 1.39 H new ATOM 0 HE3 LYS A 114 0.606 -9.056 -9.269 1.00 1.39 H new ATOM 0 HZ1 LYS A 114 -0.521 -10.825 -7.844 1.00 1.81 H new ATOM 0 HZ2 LYS A 114 0.712 -11.342 -8.891 1.00 1.81 H new ATOM 0 HZ3 LYS A 114 1.025 -11.167 -7.231 1.00 1.81 H new ATOM 1252 N VAL A 115 3.539 -4.935 -9.991 1.00 0.43 N ATOM 1253 CA VAL A 115 3.056 -4.357 -11.239 1.00 0.46 C ATOM 1254 C VAL A 115 4.237 -3.819 -12.047 1.00 0.43 C ATOM 1255 O VAL A 115 4.363 -4.092 -13.244 1.00 0.48 O ATOM 1256 CB VAL A 115 2.002 -3.243 -10.990 1.00 0.50 C ATOM 1257 CG1 VAL A 115 1.955 -2.256 -12.140 1.00 0.91 C ATOM 1258 CG2 VAL A 115 0.621 -3.852 -10.791 1.00 0.76 C ATOM 0 H VAL A 115 3.152 -4.507 -9.150 1.00 0.43 H new ATOM 0 HA VAL A 115 2.559 -5.142 -11.809 1.00 0.46 H new ATOM 0 HB VAL A 115 2.299 -2.709 -10.087 1.00 0.50 H new ATOM 0 HG11 VAL A 115 1.207 -1.491 -11.932 1.00 0.91 H new ATOM 0 HG12 VAL A 115 2.932 -1.787 -12.257 1.00 0.91 H new ATOM 0 HG13 VAL A 115 1.692 -2.780 -13.059 1.00 0.91 H new ATOM 0 HG21 VAL A 115 -0.105 -3.058 -10.618 1.00 0.76 H new ATOM 0 HG22 VAL A 115 0.339 -4.414 -11.682 1.00 0.76 H new ATOM 0 HG23 VAL A 115 0.639 -4.521 -9.931 1.00 0.76 H new ATOM 1268 N LYS A 116 5.124 -3.087 -11.381 1.00 0.40 N ATOM 1269 CA LYS A 116 6.337 -2.604 -12.032 1.00 0.41 C ATOM 1270 C LYS A 116 7.330 -3.739 -12.263 1.00 0.47 C ATOM 1271 O LYS A 116 8.075 -3.725 -13.240 1.00 0.54 O ATOM 1272 CB LYS A 116 7.010 -1.493 -11.219 1.00 0.39 C ATOM 1273 CG LYS A 116 6.259 -0.170 -11.241 1.00 0.88 C ATOM 1274 CD LYS A 116 6.016 0.315 -12.666 1.00 0.77 C ATOM 1275 CE LYS A 116 7.314 0.539 -13.428 1.00 0.85 C ATOM 1276 NZ LYS A 116 8.084 1.697 -12.910 1.00 1.06 N ATOM 0 H LYS A 116 5.028 -2.817 -10.402 1.00 0.40 H new ATOM 0 HA LYS A 116 6.035 -2.195 -12.996 1.00 0.41 H new ATOM 0 HB2 LYS A 116 7.112 -1.824 -10.186 1.00 0.39 H new ATOM 0 HB3 LYS A 116 8.017 -1.334 -11.604 1.00 0.39 H new ATOM 0 HG2 LYS A 116 5.304 -0.284 -10.727 1.00 0.88 H new ATOM 0 HG3 LYS A 116 6.828 0.581 -10.693 1.00 0.88 H new ATOM 0 HD2 LYS A 116 5.407 -0.416 -13.197 1.00 0.77 H new ATOM 0 HD3 LYS A 116 5.448 1.245 -12.639 1.00 0.77 H new ATOM 0 HE2 LYS A 116 7.928 -0.359 -13.365 1.00 0.85 H new ATOM 0 HE3 LYS A 116 7.090 0.698 -14.483 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 8.950 1.818 -13.473 1.00 1.06 H new ATOM 0 HZ2 LYS A 116 7.504 2.558 -12.978 1.00 1.06 H new ATOM 0 HZ3 LYS A 116 8.338 1.528 -11.916 1.00 1.06 H new ATOM 1290 N LEU A 117 7.329 -4.719 -11.365 1.00 0.47 N ATOM 1291 CA LEU A 117 8.247 -5.850 -11.455 1.00 0.57 C ATOM 1292 C LEU A 117 7.961 -6.701 -12.693 1.00 0.64 C ATOM 1293 O LEU A 117 8.886 -7.139 -13.377 1.00 0.75 O ATOM 1294 CB LEU A 117 8.147 -6.713 -10.193 1.00 0.59 C ATOM 1295 CG LEU A 117 9.179 -7.837 -10.078 1.00 0.86 C ATOM 1296 CD1 LEU A 117 10.585 -7.265 -10.049 1.00 1.48 C ATOM 1297 CD2 LEU A 117 8.920 -8.673 -8.833 1.00 1.59 C ATOM 0 H LEU A 117 6.700 -4.753 -10.563 1.00 0.47 H new ATOM 0 HA LEU A 117 9.259 -5.454 -11.542 1.00 0.57 H new ATOM 0 HB2 LEU A 117 8.244 -6.064 -9.322 1.00 0.59 H new ATOM 0 HB3 LEU A 117 7.151 -7.153 -10.153 1.00 0.59 H new ATOM 0 HG LEU A 117 9.086 -8.482 -10.952 1.00 0.86 H new ATOM 0 HD11 LEU A 117 11.307 -8.078 -9.967 1.00 1.48 H new ATOM 0 HD12 LEU A 117 10.770 -6.707 -10.967 1.00 1.48 H new ATOM 0 HD13 LEU A 117 10.689 -6.599 -9.192 1.00 1.48 H new ATOM 0 HD21 LEU A 117 9.663 -9.468 -8.767 1.00 1.59 H new ATOM 0 HD22 LEU A 117 8.987 -8.039 -7.949 1.00 1.59 H new ATOM 0 HD23 LEU A 117 7.924 -9.112 -8.890 1.00 1.59 H new ATOM 1309 N GLU A 118 6.678 -6.934 -12.973 1.00 0.61 N ATOM 1310 CA GLU A 118 6.273 -7.709 -14.148 1.00 0.69 C ATOM 1311 C GLU A 118 6.548 -6.927 -15.428 1.00 0.70 C ATOM 1312 O GLU A 118 6.746 -7.506 -16.494 1.00 0.85 O ATOM 1313 CB GLU A 118 4.780 -8.046 -14.086 1.00 0.70 C ATOM 1314 CG GLU A 118 4.380 -8.898 -12.898 1.00 0.80 C ATOM 1315 CD GLU A 118 4.966 -10.294 -12.941 1.00 1.36 C ATOM 1316 OE1 GLU A 118 5.345 -10.744 -14.044 1.00 1.71 O ATOM 1317 OE2 GLU A 118 5.078 -10.936 -11.878 1.00 2.05 O ATOM 0 H GLU A 118 5.902 -6.598 -12.403 1.00 0.61 H new ATOM 0 HA GLU A 118 6.854 -8.631 -14.152 1.00 0.69 H new ATOM 0 HB2 GLU A 118 4.211 -7.117 -14.059 1.00 0.70 H new ATOM 0 HB3 GLU A 118 4.499 -8.566 -15.002 1.00 0.70 H new ATOM 0 HG2 GLU A 118 4.701 -8.404 -11.981 1.00 0.80 H new ATOM 0 HG3 GLU A 118 3.293 -8.968 -12.859 1.00 0.80 H new ATOM 1324 N GLY A 119 6.564 -5.608 -15.309 1.00 0.60 N ATOM 1325 CA GLY A 119 6.803 -4.765 -16.463 1.00 0.62 C ATOM 1326 C GLY A 119 5.546 -4.067 -16.947 1.00 0.65 C ATOM 1327 O GLY A 119 5.360 -3.865 -18.147 1.00 0.68 O ATOM 0 H GLY A 119 6.416 -5.106 -14.434 1.00 0.60 H new ATOM 0 HA2 GLY A 119 7.555 -4.017 -16.212 1.00 0.62 H new ATOM 0 HA3 GLY A 119 7.212 -5.370 -17.272 1.00 0.62 H new ATOM 1331 N HIS A 120 4.673 -3.704 -16.018 1.00 0.70 N ATOM 1332 CA HIS A 120 3.476 -2.943 -16.359 1.00 0.78 C ATOM 1333 C HIS A 120 3.617 -1.507 -15.873 1.00 0.75 C ATOM 1334 O HIS A 120 4.619 -1.155 -15.248 1.00 0.92 O ATOM 1335 CB HIS A 120 2.221 -3.581 -15.754 1.00 0.80 C ATOM 1336 CG HIS A 120 1.890 -4.929 -16.313 1.00 0.90 C ATOM 1337 ND1 HIS A 120 1.290 -5.111 -17.539 1.00 1.08 N ATOM 1338 CD2 HIS A 120 2.073 -6.167 -15.798 1.00 0.97 C ATOM 1339 CE1 HIS A 120 1.116 -6.399 -17.756 1.00 1.16 C ATOM 1340 NE2 HIS A 120 1.580 -7.068 -16.715 1.00 1.10 N ATOM 0 H HIS A 120 4.769 -3.922 -15.026 1.00 0.70 H new ATOM 0 HA HIS A 120 3.368 -2.949 -17.444 1.00 0.78 H new ATOM 0 HB2 HIS A 120 2.355 -3.670 -14.676 1.00 0.80 H new ATOM 0 HB3 HIS A 120 1.374 -2.915 -15.916 1.00 0.80 H new ATOM 0 HD2 HIS A 120 2.522 -6.404 -14.845 1.00 0.97 H new ATOM 0 HE1 HIS A 120 0.669 -6.835 -18.637 1.00 1.16 H new ATOM 0 HE2 HIS A 120 1.574 -8.082 -16.609 1.00 1.10 H new ATOM 1349 N GLU A 121 2.625 -0.679 -16.163 1.00 0.78 N ATOM 1350 CA GLU A 121 2.672 0.723 -15.774 1.00 0.84 C ATOM 1351 C GLU A 121 1.797 0.998 -14.555 1.00 0.84 C ATOM 1352 O GLU A 121 0.781 0.335 -14.345 1.00 0.98 O ATOM 1353 CB GLU A 121 2.192 1.607 -16.922 1.00 1.05 C ATOM 1354 CG GLU A 121 2.990 1.463 -18.207 1.00 1.71 C ATOM 1355 CD GLU A 121 2.452 2.351 -19.308 1.00 2.10 C ATOM 1356 OE1 GLU A 121 1.453 1.972 -19.950 1.00 2.69 O ATOM 1357 OE2 GLU A 121 3.031 3.433 -19.546 1.00 2.11 O ATOM 0 H GLU A 121 1.780 -0.952 -16.665 1.00 0.78 H new ATOM 0 HA GLU A 121 3.708 0.952 -15.526 1.00 0.84 H new ATOM 0 HB2 GLU A 121 1.148 1.374 -17.130 1.00 1.05 H new ATOM 0 HB3 GLU A 121 2.229 2.648 -16.602 1.00 1.05 H new ATOM 0 HG2 GLU A 121 4.034 1.713 -18.016 1.00 1.71 H new ATOM 0 HG3 GLU A 121 2.966 0.424 -18.535 1.00 1.71 H new ATOM 1364 N LEU A 122 2.203 1.975 -13.757 1.00 0.88 N ATOM 1365 CA LEU A 122 1.348 2.521 -12.720 1.00 0.89 C ATOM 1366 C LEU A 122 1.235 4.030 -12.909 1.00 0.96 C ATOM 1367 O LEU A 122 2.236 4.716 -13.117 1.00 1.08 O ATOM 1368 CB LEU A 122 1.826 2.136 -11.304 1.00 0.90 C ATOM 1369 CG LEU A 122 3.337 2.183 -11.028 1.00 0.58 C ATOM 1370 CD1 LEU A 122 3.858 3.609 -10.923 1.00 1.21 C ATOM 1371 CD2 LEU A 122 3.645 1.425 -9.750 1.00 0.74 C ATOM 0 H LEU A 122 3.126 2.406 -13.811 1.00 0.88 H new ATOM 0 HA LEU A 122 0.354 2.083 -12.815 1.00 0.89 H new ATOM 0 HB2 LEU A 122 1.333 2.797 -10.591 1.00 0.90 H new ATOM 0 HB3 LEU A 122 1.477 1.125 -11.095 1.00 0.90 H new ATOM 0 HG LEU A 122 3.842 1.714 -11.872 1.00 0.58 H new ATOM 0 HD11 LEU A 122 4.930 3.591 -10.727 1.00 1.21 H new ATOM 0 HD12 LEU A 122 3.668 4.135 -11.858 1.00 1.21 H new ATOM 0 HD13 LEU A 122 3.349 4.123 -10.108 1.00 1.21 H new ATOM 0 HD21 LEU A 122 4.717 1.459 -9.556 1.00 0.74 H new ATOM 0 HD22 LEU A 122 3.111 1.883 -8.918 1.00 0.74 H new ATOM 0 HD23 LEU A 122 3.329 0.387 -9.857 1.00 0.74 H new ATOM 1383 N PRO A 123 0.005 4.556 -12.895 1.00 1.00 N ATOM 1384 CA PRO A 123 -0.260 5.965 -13.222 1.00 1.15 C ATOM 1385 C PRO A 123 0.125 6.934 -12.113 1.00 1.04 C ATOM 1386 O PRO A 123 0.208 8.142 -12.338 1.00 1.16 O ATOM 1387 CB PRO A 123 -1.772 5.984 -13.430 1.00 1.28 C ATOM 1388 CG PRO A 123 -2.279 4.894 -12.551 1.00 1.19 C ATOM 1389 CD PRO A 123 -1.236 3.813 -12.600 1.00 1.01 C ATOM 0 HA PRO A 123 0.327 6.291 -14.080 1.00 1.15 H new ATOM 0 HB2 PRO A 123 -2.199 6.948 -13.154 1.00 1.28 H new ATOM 0 HB3 PRO A 123 -2.032 5.807 -14.474 1.00 1.28 H new ATOM 0 HG2 PRO A 123 -2.426 5.250 -11.531 1.00 1.19 H new ATOM 0 HG3 PRO A 123 -3.243 4.524 -12.902 1.00 1.19 H new ATOM 0 HD2 PRO A 123 -1.168 3.275 -11.654 1.00 1.01 H new ATOM 0 HD3 PRO A 123 -1.457 3.075 -13.371 1.00 1.01 H new ATOM 1397 N ALA A 124 0.370 6.383 -10.929 1.00 0.88 N ATOM 1398 CA ALA A 124 0.598 7.170 -9.716 1.00 0.86 C ATOM 1399 C ALA A 124 -0.680 7.896 -9.299 1.00 0.82 C ATOM 1400 O ALA A 124 -0.651 8.851 -8.525 1.00 0.88 O ATOM 1401 CB ALA A 124 1.751 8.152 -9.899 1.00 1.06 C ATOM 0 H ALA A 124 0.417 5.375 -10.780 1.00 0.88 H new ATOM 0 HA ALA A 124 0.877 6.483 -8.917 1.00 0.86 H new ATOM 0 HB1 ALA A 124 1.894 8.721 -8.980 1.00 1.06 H new ATOM 0 HB2 ALA A 124 2.663 7.603 -10.131 1.00 1.06 H new ATOM 0 HB3 ALA A 124 1.521 8.835 -10.716 1.00 1.06 H new ATOM 1407 N ASP A 125 -1.802 7.411 -9.814 1.00 0.82 N ATOM 1408 CA ASP A 125 -3.117 7.903 -9.430 1.00 0.84 C ATOM 1409 C ASP A 125 -3.787 6.873 -8.545 1.00 0.83 C ATOM 1410 O ASP A 125 -3.299 5.750 -8.418 1.00 0.85 O ATOM 1411 CB ASP A 125 -3.995 8.164 -10.661 1.00 0.90 C ATOM 1412 CG ASP A 125 -3.550 9.365 -11.475 1.00 1.36 C ATOM 1413 OD1 ASP A 125 -2.628 9.221 -12.300 1.00 1.76 O ATOM 1414 OD2 ASP A 125 -4.146 10.454 -11.304 1.00 1.93 O ATOM 0 H ASP A 125 -1.825 6.665 -10.510 1.00 0.82 H new ATOM 0 HA ASP A 125 -2.993 8.845 -8.895 1.00 0.84 H new ATOM 0 HB2 ASP A 125 -3.987 7.280 -11.298 1.00 0.90 H new ATOM 0 HB3 ASP A 125 -5.025 8.315 -10.338 1.00 0.90 H new ATOM 1419 N LEU A 126 -4.904 7.237 -7.941 1.00 0.84 N ATOM 1420 CA LEU A 126 -5.627 6.302 -7.092 1.00 0.85 C ATOM 1421 C LEU A 126 -7.064 6.132 -7.576 1.00 0.82 C ATOM 1422 O LEU A 126 -7.929 6.960 -7.284 1.00 0.86 O ATOM 1423 CB LEU A 126 -5.605 6.769 -5.633 1.00 0.92 C ATOM 1424 CG LEU A 126 -6.158 5.757 -4.624 1.00 0.94 C ATOM 1425 CD1 LEU A 126 -5.332 4.481 -4.651 1.00 1.85 C ATOM 1426 CD2 LEU A 126 -6.172 6.350 -3.226 1.00 1.62 C ATOM 0 H LEU A 126 -5.328 8.161 -8.020 1.00 0.84 H new ATOM 0 HA LEU A 126 -5.129 5.334 -7.152 1.00 0.85 H new ATOM 0 HB2 LEU A 126 -4.578 7.009 -5.359 1.00 0.92 H new ATOM 0 HB3 LEU A 126 -6.180 7.691 -5.553 1.00 0.92 H new ATOM 0 HG LEU A 126 -7.183 5.515 -4.904 1.00 0.94 H new ATOM 0 HD11 LEU A 126 -5.736 3.771 -3.929 1.00 1.85 H new ATOM 0 HD12 LEU A 126 -5.369 4.045 -5.649 1.00 1.85 H new ATOM 0 HD13 LEU A 126 -4.298 4.711 -4.394 1.00 1.85 H new ATOM 0 HD21 LEU A 126 -6.568 5.617 -2.524 1.00 1.62 H new ATOM 0 HD22 LEU A 126 -5.157 6.620 -2.935 1.00 1.62 H new ATOM 0 HD23 LEU A 126 -6.801 7.240 -3.215 1.00 1.62 H new ATOM 1438 N PRO A 127 -7.322 5.074 -8.362 1.00 0.79 N ATOM 1439 CA PRO A 127 -8.663 4.756 -8.851 1.00 0.78 C ATOM 1440 C PRO A 127 -9.543 4.150 -7.762 1.00 0.79 C ATOM 1441 O PRO A 127 -9.043 3.523 -6.827 1.00 0.81 O ATOM 1442 CB PRO A 127 -8.402 3.746 -9.969 1.00 0.90 C ATOM 1443 CG PRO A 127 -7.118 3.087 -9.599 1.00 0.76 C ATOM 1444 CD PRO A 127 -6.311 4.112 -8.844 1.00 0.81 C ATOM 0 HA PRO A 127 -9.202 5.642 -9.185 1.00 0.78 H new ATOM 0 HB2 PRO A 127 -9.212 3.020 -10.042 1.00 0.90 H new ATOM 0 HB3 PRO A 127 -8.328 4.240 -10.938 1.00 0.90 H new ATOM 0 HG2 PRO A 127 -7.298 2.205 -8.984 1.00 0.76 H new ATOM 0 HG3 PRO A 127 -6.584 2.752 -10.488 1.00 0.76 H new ATOM 0 HD2 PRO A 127 -5.764 3.660 -8.017 1.00 0.81 H new ATOM 0 HD3 PRO A 127 -5.575 4.594 -9.487 1.00 0.81 H new ATOM 1452 N PRO A 128 -10.870 4.333 -7.878 1.00 0.82 N ATOM 1453 CA PRO A 128 -11.843 3.903 -6.859 1.00 0.89 C ATOM 1454 C PRO A 128 -11.697 2.442 -6.428 1.00 0.92 C ATOM 1455 O PRO A 128 -11.813 2.127 -5.247 1.00 1.00 O ATOM 1456 CB PRO A 128 -13.190 4.110 -7.553 1.00 0.98 C ATOM 1457 CG PRO A 128 -12.945 5.190 -8.545 1.00 1.02 C ATOM 1458 CD PRO A 128 -11.531 5.005 -9.017 1.00 0.86 C ATOM 0 HA PRO A 128 -11.710 4.467 -5.936 1.00 0.89 H new ATOM 0 HB2 PRO A 128 -13.529 3.195 -8.040 1.00 0.98 H new ATOM 0 HB3 PRO A 128 -13.963 4.396 -6.839 1.00 0.98 H new ATOM 0 HG2 PRO A 128 -13.646 5.122 -9.377 1.00 1.02 H new ATOM 0 HG3 PRO A 128 -13.080 6.173 -8.093 1.00 1.02 H new ATOM 0 HD2 PRO A 128 -11.486 4.398 -9.921 1.00 0.86 H new ATOM 0 HD3 PRO A 128 -11.058 5.959 -9.249 1.00 0.86 H new ATOM 1466 N HIS A 129 -11.420 1.554 -7.376 1.00 0.90 N ATOM 1467 CA HIS A 129 -11.365 0.122 -7.076 1.00 0.96 C ATOM 1468 C HIS A 129 -10.025 -0.275 -6.455 1.00 0.95 C ATOM 1469 O HIS A 129 -9.689 -1.457 -6.383 1.00 1.02 O ATOM 1470 CB HIS A 129 -11.654 -0.719 -8.330 1.00 1.02 C ATOM 1471 CG HIS A 129 -10.637 -0.596 -9.430 1.00 1.03 C ATOM 1472 ND1 HIS A 129 -10.701 0.365 -10.413 1.00 1.10 N ATOM 1473 CD2 HIS A 129 -9.538 -1.338 -9.707 1.00 1.08 C ATOM 1474 CE1 HIS A 129 -9.689 0.211 -11.246 1.00 1.14 C ATOM 1475 NE2 HIS A 129 -8.966 -0.819 -10.843 1.00 1.14 N ATOM 0 H HIS A 129 -11.231 1.793 -8.349 1.00 0.90 H new ATOM 0 HA HIS A 129 -12.143 -0.083 -6.341 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -11.725 -1.767 -8.037 1.00 1.02 H new ATOM 0 HB3 HIS A 129 -12.629 -0.432 -8.724 1.00 1.02 H new ATOM 0 HD2 HIS A 129 -9.178 -2.183 -9.139 1.00 1.08 H new ATOM 0 HE1 HIS A 129 -9.486 0.824 -12.112 1.00 1.14 H new ATOM 0 HE2 HIS A 129 -8.124 -1.170 -11.299 1.00 1.14 H new ATOM 1484 N LEU A 130 -9.261 0.718 -6.024 1.00 0.89 N ATOM 1485 CA LEU A 130 -8.026 0.479 -5.295 1.00 0.92 C ATOM 1486 C LEU A 130 -8.074 1.168 -3.939 1.00 0.93 C ATOM 1487 O LEU A 130 -7.096 1.162 -3.193 1.00 1.06 O ATOM 1488 CB LEU A 130 -6.815 0.970 -6.099 1.00 0.89 C ATOM 1489 CG LEU A 130 -6.423 0.103 -7.300 1.00 0.94 C ATOM 1490 CD1 LEU A 130 -5.150 0.632 -7.943 1.00 1.32 C ATOM 1491 CD2 LEU A 130 -6.243 -1.349 -6.875 1.00 1.34 C ATOM 0 H LEU A 130 -9.478 1.704 -6.169 1.00 0.89 H new ATOM 0 HA LEU A 130 -7.921 -0.595 -5.141 1.00 0.92 H new ATOM 0 HB2 LEU A 130 -7.022 1.979 -6.454 1.00 0.89 H new ATOM 0 HB3 LEU A 130 -5.959 1.038 -5.428 1.00 0.89 H new ATOM 0 HG LEU A 130 -7.226 0.148 -8.035 1.00 0.94 H new ATOM 0 HD11 LEU A 130 -4.885 0.005 -8.794 1.00 1.32 H new ATOM 0 HD12 LEU A 130 -5.312 1.655 -8.282 1.00 1.32 H new ATOM 0 HD13 LEU A 130 -4.340 0.615 -7.214 1.00 1.32 H new ATOM 0 HD21 LEU A 130 -5.965 -1.950 -7.741 1.00 1.34 H new ATOM 0 HD22 LEU A 130 -5.458 -1.413 -6.122 1.00 1.34 H new ATOM 0 HD23 LEU A 130 -7.177 -1.725 -6.458 1.00 1.34 H new ATOM 1760 N ASP B 149 7.852 9.686 4.882 1.00 0.45 N ATOM 1761 CA ASP B 149 8.109 8.352 4.352 1.00 0.42 C ATOM 1762 C ASP B 149 9.609 8.071 4.324 1.00 0.31 C ATOM 1763 O ASP B 149 10.419 8.993 4.228 1.00 0.30 O ATOM 1764 CB ASP B 149 7.504 8.195 2.950 1.00 0.70 C ATOM 1765 CG ASP B 149 8.167 9.072 1.911 1.00 0.53 C ATOM 1766 OD1 ASP B 149 9.276 8.727 1.455 1.00 0.42 O ATOM 1767 OD2 ASP B 149 7.573 10.107 1.540 1.00 1.25 O ATOM 0 HA ASP B 149 7.632 7.625 5.009 1.00 0.42 H new ATOM 0 HB2 ASP B 149 7.585 7.153 2.641 1.00 0.70 H new ATOM 0 HB3 ASP B 149 6.441 8.433 2.992 1.00 0.70 H new ATOM 1772 N PRO B 150 9.991 6.789 4.409 1.00 0.31 N ATOM 1773 CA PRO B 150 11.393 6.367 4.499 1.00 0.29 C ATOM 1774 C PRO B 150 12.172 6.516 3.189 1.00 0.29 C ATOM 1775 O PRO B 150 13.361 6.211 3.137 1.00 0.34 O ATOM 1776 CB PRO B 150 11.307 4.881 4.897 1.00 0.34 C ATOM 1777 CG PRO B 150 9.872 4.624 5.221 1.00 0.49 C ATOM 1778 CD PRO B 150 9.081 5.633 4.447 1.00 0.43 C ATOM 0 HA PRO B 150 11.935 6.992 5.209 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.644 4.239 4.083 1.00 0.34 H new ATOM 0 HB3 PRO B 150 11.945 4.669 5.755 1.00 0.34 H new ATOM 0 HG2 PRO B 150 9.586 3.609 4.944 1.00 0.49 H new ATOM 0 HG3 PRO B 150 9.691 4.725 6.291 1.00 0.49 H new ATOM 0 HD2 PRO B 150 8.836 5.276 3.447 1.00 0.43 H new ATOM 0 HD3 PRO B 150 8.139 5.874 4.939 1.00 0.43 H new ATOM 1786 N PHE B 151 11.511 6.966 2.132 1.00 0.31 N ATOM 1787 CA PHE B 151 12.153 7.053 0.824 1.00 0.39 C ATOM 1788 C PHE B 151 12.594 8.474 0.531 1.00 0.46 C ATOM 1789 O PHE B 151 13.464 8.710 -0.309 1.00 0.56 O ATOM 1790 CB PHE B 151 11.200 6.552 -0.258 1.00 0.44 C ATOM 1791 CG PHE B 151 10.542 5.275 0.140 1.00 0.36 C ATOM 1792 CD1 PHE B 151 11.272 4.103 0.218 1.00 0.42 C ATOM 1793 CD2 PHE B 151 9.205 5.256 0.484 1.00 0.30 C ATOM 1794 CE1 PHE B 151 10.677 2.929 0.623 1.00 0.42 C ATOM 1795 CE2 PHE B 151 8.603 4.092 0.896 1.00 0.27 C ATOM 1796 CZ PHE B 151 9.337 2.924 0.967 1.00 0.32 C ATOM 0 H PHE B 151 10.539 7.275 2.151 1.00 0.31 H new ATOM 0 HA PHE B 151 13.042 6.422 0.831 1.00 0.39 H new ATOM 0 HB2 PHE B 151 10.440 7.308 -0.453 1.00 0.44 H new ATOM 0 HB3 PHE B 151 11.749 6.405 -1.188 1.00 0.44 H new ATOM 0 HD1 PHE B 151 12.320 4.109 -0.042 1.00 0.42 H new ATOM 0 HD2 PHE B 151 8.626 6.166 0.429 1.00 0.30 H new ATOM 0 HE1 PHE B 151 11.253 2.017 0.672 1.00 0.42 H new ATOM 0 HE2 PHE B 151 7.557 4.090 1.164 1.00 0.27 H new ATOM 0 HZ PHE B 151 8.865 2.008 1.291 1.00 0.32 H new ATOM 1806 N THR B 152 11.995 9.417 1.232 1.00 0.53 N ATOM 1807 CA THR B 152 12.381 10.810 1.120 1.00 0.65 C ATOM 1808 C THR B 152 13.585 11.107 2.013 1.00 1.20 C ATOM 1809 O THR B 152 14.122 12.218 2.009 1.00 1.89 O ATOM 1810 CB THR B 152 11.204 11.738 1.475 1.00 0.95 C ATOM 1811 OG1 THR B 152 10.654 11.373 2.748 1.00 1.59 O ATOM 1812 CG2 THR B 152 10.119 11.649 0.416 1.00 0.98 C ATOM 0 H THR B 152 11.235 9.242 1.889 1.00 0.53 H new ATOM 0 HA THR B 152 12.663 11.000 0.084 1.00 0.65 H new ATOM 0 HB THR B 152 11.577 12.761 1.520 1.00 0.95 H new ATOM 0 HG1 THR B 152 9.907 11.970 2.965 1.00 1.59 H new ATOM 0 HG21 THR B 152 9.295 12.311 0.683 1.00 0.98 H new ATOM 0 HG22 THR B 152 10.527 11.948 -0.549 1.00 0.98 H new ATOM 0 HG23 THR B 152 9.755 10.624 0.353 1.00 0.98 H new