USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 THR OG1 : rot -59:sc= 0.432 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.183 K(o=0.62,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= -1.28! (180deg=-2.02!) USER MOD Single : A 52 THR OG1 : rot -37:sc= 0.467 USER MOD Single : A 53 TYR OH : rot 150:sc= -0.426 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -11:sc= 1.22 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.34! K(o=-1.3!,f=-0.016) USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= 0.595 (180deg=0.285) 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 180:sc=-0.00733 (180deg=-0.00733) USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= -0.344 (180deg=-1.91!) USER MOD Single : A 79 SER OG : rot 65:sc= 0.143 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= 1.21 (180deg=0.99) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.01) USER MOD Single : A 97 LYS NZ :NH3+ 172:sc= 1.74 (180deg=1.54) USER MOD Single : A 110 ASN : amide:sc= -1.4! K(o=-1.4!,f=0.76) USER MOD Single : A 111 HIS : no HE2:sc= 0.162 K(o=0.16,f=-0.6) USER MOD Single : A 114 LYS NZ :NH3+ -166:sc=-0.00341 (180deg=-0.179) USER MOD Single : A 116 LYS NZ :NH3+ 154:sc= 1.28 (180deg=0.587) USER MOD Single : A 120 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : B 148 TYR OH : rot 180:sc= 0 USER MOD Single : B 149 ASN : amide:sc= -8.01! C(o=-8!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -14.462 -3.500 -1.582 1.00 0.85 N ATOM 117 CA TRP A 44 -13.015 -3.512 -1.438 1.00 0.73 C ATOM 118 C TRP A 44 -12.438 -4.658 -2.262 1.00 0.63 C ATOM 119 O TRP A 44 -12.323 -5.786 -1.784 1.00 0.64 O ATOM 120 CB TRP A 44 -12.629 -3.643 0.043 1.00 0.78 C ATOM 121 CG TRP A 44 -11.435 -2.821 0.429 1.00 0.67 C ATOM 122 CD1 TRP A 44 -11.153 -1.555 0.013 1.00 0.70 C ATOM 123 CD2 TRP A 44 -10.381 -3.194 1.326 1.00 0.61 C ATOM 124 NE1 TRP A 44 -9.985 -1.121 0.587 1.00 0.66 N ATOM 125 CE2 TRP A 44 -9.494 -2.105 1.400 1.00 0.60 C ATOM 126 CE3 TRP A 44 -10.103 -4.338 2.079 1.00 0.64 C ATOM 127 CZ2 TRP A 44 -8.347 -2.131 2.186 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -8.963 -4.363 2.859 1.00 0.67 C ATOM 129 CH2 TRP A 44 -8.100 -3.263 2.911 1.00 0.67 C ATOM 0 HA TRP A 44 -12.601 -2.573 -1.806 1.00 0.73 H new ATOM 0 HB2 TRP A 44 -13.478 -3.346 0.658 1.00 0.78 H new ATOM 0 HB3 TRP A 44 -12.425 -4.691 0.265 1.00 0.78 H new ATOM 0 HD1 TRP A 44 -11.760 -0.978 -0.669 1.00 0.70 H new ATOM 0 HE1 TRP A 44 -9.552 -0.210 0.432 1.00 0.66 H new ATOM 0 HE3 TRP A 44 -10.768 -5.188 2.052 1.00 0.64 H new ATOM 0 HZ2 TRP A 44 -7.675 -1.286 2.222 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -8.734 -5.246 3.438 1.00 0.67 H new ATOM 0 HH2 TRP A 44 -7.221 -3.309 3.537 1.00 0.67 H new ATOM 140 N VAL A 45 -12.112 -4.358 -3.520 1.00 0.62 N ATOM 141 CA VAL A 45 -11.655 -5.362 -4.481 1.00 0.60 C ATOM 142 C VAL A 45 -10.411 -6.104 -3.997 1.00 0.54 C ATOM 143 O VAL A 45 -10.244 -7.291 -4.260 1.00 0.62 O ATOM 144 CB VAL A 45 -11.373 -4.726 -5.862 1.00 0.73 C ATOM 145 CG1 VAL A 45 -12.664 -4.225 -6.490 1.00 1.24 C ATOM 146 CG2 VAL A 45 -10.368 -3.587 -5.745 1.00 1.09 C ATOM 0 H VAL A 45 -12.157 -3.413 -3.901 1.00 0.62 H new ATOM 0 HA VAL A 45 -12.465 -6.085 -4.576 1.00 0.60 H new ATOM 0 HB VAL A 45 -10.944 -5.495 -6.505 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -12.447 -3.780 -7.461 1.00 1.24 H new ATOM 0 HG12 VAL A 45 -13.354 -5.059 -6.618 1.00 1.24 H new ATOM 0 HG13 VAL A 45 -13.117 -3.476 -5.841 1.00 1.24 H new ATOM 0 HG21 VAL A 45 -10.188 -3.158 -6.731 1.00 1.09 H new ATOM 0 HG22 VAL A 45 -10.765 -2.819 -5.082 1.00 1.09 H new ATOM 0 HG23 VAL A 45 -9.431 -3.969 -5.339 1.00 1.09 H new ATOM 156 N VAL A 46 -9.555 -5.403 -3.271 1.00 0.52 N ATOM 157 CA VAL A 46 -8.329 -5.989 -2.748 1.00 0.53 C ATOM 158 C VAL A 46 -8.639 -6.997 -1.648 1.00 0.52 C ATOM 159 O VAL A 46 -7.816 -7.845 -1.299 1.00 0.51 O ATOM 160 CB VAL A 46 -7.385 -4.890 -2.221 1.00 0.63 C ATOM 161 CG1 VAL A 46 -8.071 -4.040 -1.174 1.00 1.25 C ATOM 162 CG2 VAL A 46 -6.104 -5.482 -1.662 1.00 1.30 C ATOM 0 H VAL A 46 -9.687 -4.421 -3.029 1.00 0.52 H new ATOM 0 HA VAL A 46 -7.829 -6.513 -3.562 1.00 0.53 H new ATOM 0 HB VAL A 46 -7.124 -4.253 -3.066 1.00 0.63 H new ATOM 0 HG11 VAL A 46 -7.382 -3.273 -0.820 1.00 1.25 H new ATOM 0 HG12 VAL A 46 -8.950 -3.565 -1.610 1.00 1.25 H new ATOM 0 HG13 VAL A 46 -8.376 -4.669 -0.337 1.00 1.25 H new ATOM 0 HG21 VAL A 46 -5.461 -4.680 -1.299 1.00 1.30 H new ATOM 0 HG22 VAL A 46 -6.343 -6.156 -0.839 1.00 1.30 H new ATOM 0 HG23 VAL A 46 -5.587 -6.035 -2.446 1.00 1.30 H new ATOM 172 N GLY A 47 -9.857 -6.925 -1.140 1.00 0.57 N ATOM 173 CA GLY A 47 -10.294 -7.839 -0.117 1.00 0.58 C ATOM 174 C GLY A 47 -10.539 -9.232 -0.668 1.00 0.57 C ATOM 175 O GLY A 47 -10.795 -10.173 0.082 1.00 0.62 O ATOM 0 H GLY A 47 -10.557 -6.240 -1.424 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -9.543 -7.888 0.671 1.00 0.58 H new ATOM 0 HA3 GLY A 47 -11.210 -7.463 0.339 1.00 0.58 H new ATOM 179 N LYS A 48 -10.449 -9.365 -1.987 1.00 0.59 N ATOM 180 CA LYS A 48 -10.602 -10.658 -2.635 1.00 0.67 C ATOM 181 C LYS A 48 -9.245 -11.331 -2.794 1.00 0.65 C ATOM 182 O LYS A 48 -9.144 -12.555 -2.849 1.00 0.80 O ATOM 183 CB LYS A 48 -11.269 -10.509 -3.993 1.00 0.77 C ATOM 184 CG LYS A 48 -12.568 -9.720 -3.962 1.00 1.27 C ATOM 185 CD LYS A 48 -13.246 -9.705 -5.323 1.00 1.65 C ATOM 186 CE LYS A 48 -12.348 -9.102 -6.394 1.00 2.24 C ATOM 187 NZ LYS A 48 -13.015 -9.077 -7.723 1.00 2.99 N ATOM 0 H LYS A 48 -10.271 -8.591 -2.627 1.00 0.59 H new ATOM 0 HA LYS A 48 -11.238 -11.280 -2.005 1.00 0.67 H new ATOM 0 HB2 LYS A 48 -10.575 -10.019 -4.675 1.00 0.77 H new ATOM 0 HB3 LYS A 48 -11.468 -11.501 -4.399 1.00 0.77 H new ATOM 0 HG2 LYS A 48 -13.242 -10.156 -3.224 1.00 1.27 H new ATOM 0 HG3 LYS A 48 -12.366 -8.697 -3.644 1.00 1.27 H new ATOM 0 HD2 LYS A 48 -13.517 -10.722 -5.606 1.00 1.65 H new ATOM 0 HD3 LYS A 48 -14.173 -9.134 -5.262 1.00 1.65 H new ATOM 0 HE2 LYS A 48 -12.071 -8.088 -6.107 1.00 2.24 H new ATOM 0 HE3 LYS A 48 -11.425 -9.678 -6.461 1.00 2.24 H new ATOM 0 HZ1 LYS A 48 -12.372 -8.660 -8.426 1.00 2.99 H new ATOM 0 HZ2 LYS A 48 -13.257 -10.047 -8.008 1.00 2.99 H new ATOM 0 HZ3 LYS A 48 -13.883 -8.507 -7.665 1.00 2.99 H new ATOM 201 N ASP A 49 -8.200 -10.515 -2.842 1.00 0.61 N ATOM 202 CA ASP A 49 -6.845 -11.007 -3.056 1.00 0.70 C ATOM 203 C ASP A 49 -6.154 -11.282 -1.723 1.00 0.53 C ATOM 204 O ASP A 49 -4.988 -11.680 -1.686 1.00 0.46 O ATOM 205 CB ASP A 49 -6.010 -9.985 -3.833 1.00 0.96 C ATOM 206 CG ASP A 49 -6.675 -9.461 -5.090 1.00 1.38 C ATOM 207 OD1 ASP A 49 -6.910 -10.267 -6.021 1.00 1.80 O ATOM 208 OD2 ASP A 49 -6.987 -8.252 -5.147 1.00 1.82 O ATOM 0 H ASP A 49 -8.266 -9.503 -2.735 1.00 0.61 H new ATOM 0 HA ASP A 49 -6.921 -11.930 -3.630 1.00 0.70 H new ATOM 0 HB2 ASP A 49 -5.785 -9.144 -3.177 1.00 0.96 H new ATOM 0 HB3 ASP A 49 -5.058 -10.442 -4.103 1.00 0.96 H new ATOM 213 N LYS A 50 -6.887 -11.074 -0.630 1.00 0.52 N ATOM 214 CA LYS A 50 -6.317 -11.140 0.720 1.00 0.46 C ATOM 215 C LYS A 50 -5.578 -12.448 1.023 1.00 0.43 C ATOM 216 O LYS A 50 -4.452 -12.394 1.505 1.00 0.43 O ATOM 217 CB LYS A 50 -7.389 -10.894 1.788 1.00 0.51 C ATOM 218 CG LYS A 50 -7.955 -9.488 1.757 1.00 0.55 C ATOM 219 CD LYS A 50 -6.866 -8.436 1.911 1.00 0.74 C ATOM 220 CE LYS A 50 -6.592 -8.089 3.372 1.00 0.79 C ATOM 221 NZ LYS A 50 -5.990 -9.215 4.138 1.00 0.93 N ATOM 0 H LYS A 50 -7.883 -10.857 -0.651 1.00 0.52 H new ATOM 0 HA LYS A 50 -5.573 -10.344 0.752 1.00 0.46 H new ATOM 0 HB2 LYS A 50 -8.201 -11.608 1.649 1.00 0.51 H new ATOM 0 HB3 LYS A 50 -6.962 -11.085 2.772 1.00 0.51 H new ATOM 0 HG2 LYS A 50 -8.483 -9.330 0.817 1.00 0.55 H new ATOM 0 HG3 LYS A 50 -8.687 -9.373 2.557 1.00 0.55 H new ATOM 0 HD2 LYS A 50 -5.948 -8.798 1.448 1.00 0.74 H new ATOM 0 HD3 LYS A 50 -7.159 -7.533 1.375 1.00 0.74 H new ATOM 0 HE2 LYS A 50 -5.923 -7.229 3.416 1.00 0.79 H new ATOM 0 HE3 LYS A 50 -7.525 -7.791 3.849 1.00 0.79 H new ATOM 0 HZ1 LYS A 50 -5.451 -8.838 4.943 1.00 0.93 H new ATOM 0 HZ2 LYS A 50 -6.745 -9.839 4.488 1.00 0.93 H new ATOM 0 HZ3 LYS A 50 -5.353 -9.755 3.518 1.00 0.93 H new ATOM 235 N PRO A 51 -6.174 -13.635 0.761 1.00 0.46 N ATOM 236 CA PRO A 51 -5.541 -14.920 1.100 1.00 0.48 C ATOM 237 C PRO A 51 -4.122 -15.047 0.549 1.00 0.42 C ATOM 238 O PRO A 51 -3.221 -15.537 1.229 1.00 0.44 O ATOM 239 CB PRO A 51 -6.464 -15.967 0.456 1.00 0.57 C ATOM 240 CG PRO A 51 -7.321 -15.199 -0.492 1.00 0.54 C ATOM 241 CD PRO A 51 -7.487 -13.847 0.128 1.00 0.51 C ATOM 0 HA PRO A 51 -5.433 -15.036 2.178 1.00 0.48 H new ATOM 0 HB2 PRO A 51 -5.889 -16.733 -0.064 1.00 0.57 H new ATOM 0 HB3 PRO A 51 -7.067 -16.477 1.208 1.00 0.57 H new ATOM 0 HG2 PRO A 51 -6.853 -15.126 -1.474 1.00 0.54 H new ATOM 0 HG3 PRO A 51 -8.285 -15.687 -0.634 1.00 0.54 H new ATOM 0 HD2 PRO A 51 -7.709 -13.082 -0.616 1.00 0.51 H new ATOM 0 HD3 PRO A 51 -8.298 -13.829 0.856 1.00 0.51 H new ATOM 249 N THR A 52 -3.918 -14.569 -0.664 1.00 0.39 N ATOM 250 CA THR A 52 -2.621 -14.692 -1.312 1.00 0.41 C ATOM 251 C THR A 52 -1.667 -13.592 -0.861 1.00 0.35 C ATOM 252 O THR A 52 -0.458 -13.809 -0.748 1.00 0.38 O ATOM 253 CB THR A 52 -2.779 -14.707 -2.844 1.00 0.51 C ATOM 254 OG1 THR A 52 -3.519 -15.877 -3.211 1.00 0.67 O ATOM 255 CG2 THR A 52 -1.429 -14.712 -3.554 1.00 0.56 C ATOM 0 H THR A 52 -4.629 -14.094 -1.220 1.00 0.39 H new ATOM 0 HA THR A 52 -2.182 -15.643 -1.009 1.00 0.41 H new ATOM 0 HB THR A 52 -3.305 -13.802 -3.149 1.00 0.51 H new ATOM 0 HG1 THR A 52 -3.259 -16.624 -2.632 1.00 0.67 H new ATOM 0 HG21 THR A 52 -1.585 -14.723 -4.633 1.00 0.56 H new ATOM 0 HG22 THR A 52 -0.869 -13.819 -3.277 1.00 0.56 H new ATOM 0 HG23 THR A 52 -0.867 -15.598 -3.260 1.00 0.56 H new ATOM 263 N TYR A 53 -2.207 -12.424 -0.556 1.00 0.33 N ATOM 264 CA TYR A 53 -1.384 -11.354 -0.016 1.00 0.37 C ATOM 265 C TYR A 53 -0.977 -11.709 1.409 1.00 0.32 C ATOM 266 O TYR A 53 0.029 -11.227 1.922 1.00 0.35 O ATOM 267 CB TYR A 53 -2.133 -10.021 -0.043 1.00 0.48 C ATOM 268 CG TYR A 53 -2.471 -9.523 -1.439 1.00 0.57 C ATOM 269 CD1 TYR A 53 -1.944 -10.148 -2.558 1.00 0.67 C ATOM 270 CD2 TYR A 53 -3.320 -8.435 -1.637 1.00 0.65 C ATOM 271 CE1 TYR A 53 -2.247 -9.708 -3.833 1.00 0.76 C ATOM 272 CE2 TYR A 53 -3.628 -7.991 -2.909 1.00 0.76 C ATOM 273 CZ TYR A 53 -3.090 -8.588 -3.987 1.00 0.81 C ATOM 274 OH TYR A 53 -3.393 -8.196 -5.273 1.00 0.92 O ATOM 0 H TYR A 53 -3.194 -12.194 -0.670 1.00 0.33 H new ATOM 0 HA TYR A 53 -0.492 -11.244 -0.633 1.00 0.37 H new ATOM 0 HB2 TYR A 53 -3.056 -10.125 0.527 1.00 0.48 H new ATOM 0 HB3 TYR A 53 -1.529 -9.268 0.463 1.00 0.48 H new ATOM 0 HD1 TYR A 53 -1.285 -10.994 -2.432 1.00 0.67 H new ATOM 0 HD2 TYR A 53 -3.744 -7.930 -0.782 1.00 0.65 H new ATOM 0 HE1 TYR A 53 -1.844 -10.214 -4.698 1.00 0.76 H new ATOM 0 HE2 TYR A 53 -4.305 -7.159 -3.038 1.00 0.76 H new ATOM 0 HH TYR A 53 -4.282 -7.784 -5.288 1.00 0.92 H new ATOM 284 N ASP A 54 -1.765 -12.588 2.019 1.00 0.32 N ATOM 285 CA ASP A 54 -1.448 -13.160 3.320 1.00 0.40 C ATOM 286 C ASP A 54 -0.284 -14.129 3.175 1.00 0.43 C ATOM 287 O ASP A 54 0.653 -14.128 3.980 1.00 0.49 O ATOM 288 CB ASP A 54 -2.679 -13.885 3.871 1.00 0.50 C ATOM 289 CG ASP A 54 -2.436 -14.574 5.199 1.00 1.22 C ATOM 290 OD1 ASP A 54 -2.607 -13.918 6.246 1.00 1.46 O ATOM 291 OD2 ASP A 54 -2.116 -15.781 5.204 1.00 1.86 O ATOM 0 H ASP A 54 -2.643 -12.924 1.623 1.00 0.32 H new ATOM 0 HA ASP A 54 -1.165 -12.368 4.014 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -3.491 -13.167 3.987 1.00 0.50 H new ATOM 0 HB3 ASP A 54 -3.010 -14.625 3.143 1.00 0.50 H new ATOM 296 N GLU A 55 -0.337 -14.928 2.111 1.00 0.43 N ATOM 297 CA GLU A 55 0.720 -15.875 1.794 1.00 0.52 C ATOM 298 C GLU A 55 2.058 -15.156 1.611 1.00 0.52 C ATOM 299 O GLU A 55 3.111 -15.688 1.949 1.00 0.70 O ATOM 300 CB GLU A 55 0.352 -16.634 0.522 1.00 0.57 C ATOM 301 CG GLU A 55 -0.850 -17.550 0.686 1.00 1.01 C ATOM 302 CD GLU A 55 -1.301 -18.179 -0.618 1.00 1.39 C ATOM 303 OE1 GLU A 55 -0.688 -19.178 -1.044 1.00 1.90 O ATOM 304 OE2 GLU A 55 -2.287 -17.689 -1.213 1.00 2.00 O ATOM 0 H GLU A 55 -1.113 -14.934 1.449 1.00 0.43 H new ATOM 0 HA GLU A 55 0.825 -16.577 2.621 1.00 0.52 H new ATOM 0 HB2 GLU A 55 0.146 -15.917 -0.272 1.00 0.57 H new ATOM 0 HB3 GLU A 55 1.209 -17.227 0.202 1.00 0.57 H new ATOM 0 HG2 GLU A 55 -0.604 -18.339 1.397 1.00 1.01 H new ATOM 0 HG3 GLU A 55 -1.676 -16.982 1.113 1.00 1.01 H new ATOM 311 N ILE A 56 2.004 -13.944 1.070 1.00 0.40 N ATOM 312 CA ILE A 56 3.204 -13.130 0.896 1.00 0.42 C ATOM 313 C ILE A 56 3.606 -12.478 2.220 1.00 0.40 C ATOM 314 O ILE A 56 4.745 -12.609 2.674 1.00 0.52 O ATOM 315 CB ILE A 56 2.989 -12.030 -0.168 1.00 0.44 C ATOM 316 CG1 ILE A 56 2.521 -12.652 -1.488 1.00 0.47 C ATOM 317 CG2 ILE A 56 4.272 -11.228 -0.378 1.00 0.53 C ATOM 318 CD1 ILE A 56 2.148 -11.630 -2.542 1.00 0.52 C ATOM 0 H ILE A 56 1.144 -13.503 0.744 1.00 0.40 H new ATOM 0 HA ILE A 56 4.001 -13.793 0.558 1.00 0.42 H new ATOM 0 HB ILE A 56 2.216 -11.350 0.188 1.00 0.44 H new ATOM 0 HG12 ILE A 56 3.312 -13.292 -1.879 1.00 0.47 H new ATOM 0 HG13 ILE A 56 1.660 -13.292 -1.293 1.00 0.47 H new ATOM 0 HG21 ILE A 56 4.101 -10.458 -1.131 1.00 0.53 H new ATOM 0 HG22 ILE A 56 4.565 -10.759 0.561 1.00 0.53 H new ATOM 0 HG23 ILE A 56 5.067 -11.894 -0.714 1.00 0.53 H new ATOM 0 HD11 ILE A 56 1.827 -12.143 -3.448 1.00 0.52 H new ATOM 0 HD12 ILE A 56 1.336 -11.005 -2.171 1.00 0.52 H new ATOM 0 HD13 ILE A 56 3.013 -11.006 -2.766 1.00 0.52 H new ATOM 330 N PHE A 57 2.646 -11.801 2.835 1.00 0.31 N ATOM 331 CA PHE A 57 2.848 -11.074 4.089 1.00 0.31 C ATOM 332 C PHE A 57 3.533 -11.944 5.149 1.00 0.35 C ATOM 333 O PHE A 57 4.431 -11.483 5.856 1.00 0.40 O ATOM 334 CB PHE A 57 1.480 -10.592 4.587 1.00 0.29 C ATOM 335 CG PHE A 57 1.484 -9.866 5.901 1.00 0.31 C ATOM 336 CD1 PHE A 57 2.063 -8.614 6.024 1.00 0.32 C ATOM 337 CD2 PHE A 57 0.885 -10.434 7.013 1.00 0.40 C ATOM 338 CE1 PHE A 57 2.048 -7.945 7.231 1.00 0.36 C ATOM 339 CE2 PHE A 57 0.863 -9.769 8.222 1.00 0.43 C ATOM 340 CZ PHE A 57 1.445 -8.523 8.331 1.00 0.40 C ATOM 0 H PHE A 57 1.693 -11.738 2.476 1.00 0.31 H new ATOM 0 HA PHE A 57 3.508 -10.225 3.909 1.00 0.31 H new ATOM 0 HB2 PHE A 57 1.050 -9.935 3.831 1.00 0.29 H new ATOM 0 HB3 PHE A 57 0.820 -11.455 4.672 1.00 0.29 H new ATOM 0 HD1 PHE A 57 2.532 -8.156 5.166 1.00 0.32 H new ATOM 0 HD2 PHE A 57 0.429 -11.410 6.933 1.00 0.40 H new ATOM 0 HE1 PHE A 57 2.507 -6.971 7.315 1.00 0.36 H new ATOM 0 HE2 PHE A 57 0.391 -10.223 9.081 1.00 0.43 H new ATOM 0 HZ PHE A 57 1.429 -8.000 9.276 1.00 0.40 H new ATOM 350 N TYR A 58 3.124 -13.206 5.239 1.00 0.35 N ATOM 351 CA TYR A 58 3.659 -14.114 6.251 1.00 0.41 C ATOM 352 C TYR A 58 5.074 -14.589 5.929 1.00 0.43 C ATOM 353 O TYR A 58 5.814 -14.975 6.833 1.00 0.46 O ATOM 354 CB TYR A 58 2.733 -15.318 6.439 1.00 0.50 C ATOM 355 CG TYR A 58 1.610 -15.066 7.423 1.00 0.91 C ATOM 356 CD1 TYR A 58 0.885 -13.882 7.391 1.00 1.23 C ATOM 357 CD2 TYR A 58 1.274 -16.012 8.382 1.00 1.50 C ATOM 358 CE1 TYR A 58 -0.143 -13.648 8.285 1.00 1.92 C ATOM 359 CE2 TYR A 58 0.250 -15.787 9.279 1.00 2.18 C ATOM 360 CZ TYR A 58 -0.448 -14.602 9.234 1.00 2.35 C ATOM 361 OH TYR A 58 -1.469 -14.375 10.128 1.00 3.08 O ATOM 0 H TYR A 58 2.425 -13.624 4.625 1.00 0.35 H new ATOM 0 HA TYR A 58 3.712 -13.547 7.180 1.00 0.41 H new ATOM 0 HB2 TYR A 58 2.306 -15.592 5.474 1.00 0.50 H new ATOM 0 HB3 TYR A 58 3.321 -16.169 6.781 1.00 0.50 H new ATOM 0 HD1 TYR A 58 1.129 -13.131 6.654 1.00 1.23 H new ATOM 0 HD2 TYR A 58 1.824 -16.940 8.427 1.00 1.50 H new ATOM 0 HE1 TYR A 58 -0.703 -12.726 8.241 1.00 1.92 H new ATOM 0 HE2 TYR A 58 -0.003 -16.538 10.013 1.00 2.18 H new ATOM 0 HH TYR A 58 -1.555 -15.145 10.728 1.00 3.08 H new ATOM 371 N THR A 59 5.473 -14.546 4.666 1.00 0.44 N ATOM 372 CA THR A 59 6.811 -15.005 4.307 1.00 0.48 C ATOM 373 C THR A 59 7.857 -13.939 4.624 1.00 0.42 C ATOM 374 O THR A 59 9.040 -14.246 4.790 1.00 0.45 O ATOM 375 CB THR A 59 6.928 -15.435 2.828 1.00 0.59 C ATOM 376 OG1 THR A 59 6.567 -14.367 1.943 1.00 0.63 O ATOM 377 CG2 THR A 59 6.057 -16.650 2.549 1.00 0.75 C ATOM 0 H THR A 59 4.907 -14.207 3.888 1.00 0.44 H new ATOM 0 HA THR A 59 6.999 -15.890 4.914 1.00 0.48 H new ATOM 0 HB THR A 59 7.971 -15.695 2.647 1.00 0.59 H new ATOM 0 HG1 THR A 59 6.157 -13.641 2.457 1.00 0.63 H new ATOM 0 HG21 THR A 59 6.155 -16.935 1.502 1.00 0.75 H new ATOM 0 HG22 THR A 59 6.375 -17.479 3.182 1.00 0.75 H new ATOM 0 HG23 THR A 59 5.016 -16.408 2.763 1.00 0.75 H new ATOM 385 N LEU A 60 7.409 -12.692 4.740 1.00 0.37 N ATOM 386 CA LEU A 60 8.300 -11.589 5.074 1.00 0.38 C ATOM 387 C LEU A 60 8.475 -11.478 6.583 1.00 0.41 C ATOM 388 O LEU A 60 9.267 -10.669 7.065 1.00 0.56 O ATOM 389 CB LEU A 60 7.760 -10.272 4.510 1.00 0.40 C ATOM 390 CG LEU A 60 7.662 -10.212 2.986 1.00 0.52 C ATOM 391 CD1 LEU A 60 7.069 -8.885 2.543 1.00 1.26 C ATOM 392 CD2 LEU A 60 9.032 -10.416 2.357 1.00 1.25 C ATOM 0 H LEU A 60 6.434 -12.422 4.607 1.00 0.37 H new ATOM 0 HA LEU A 60 9.272 -11.790 4.624 1.00 0.38 H new ATOM 0 HB2 LEU A 60 6.770 -10.094 4.930 1.00 0.40 H new ATOM 0 HB3 LEU A 60 8.401 -9.459 4.850 1.00 0.40 H new ATOM 0 HG LEU A 60 7.004 -11.014 2.651 1.00 0.52 H new ATOM 0 HD11 LEU A 60 7.007 -8.859 1.455 1.00 1.26 H new ATOM 0 HD12 LEU A 60 6.071 -8.773 2.967 1.00 1.26 H new ATOM 0 HD13 LEU A 60 7.704 -8.069 2.889 1.00 1.26 H new ATOM 0 HD21 LEU A 60 8.944 -10.370 1.271 1.00 1.25 H new ATOM 0 HD22 LEU A 60 9.710 -9.634 2.700 1.00 1.25 H new ATOM 0 HD23 LEU A 60 9.425 -11.390 2.649 1.00 1.25 H new ATOM 404 N SER A 61 7.726 -12.308 7.313 1.00 0.36 N ATOM 405 CA SER A 61 7.780 -12.361 8.772 1.00 0.41 C ATOM 406 C SER A 61 7.221 -11.078 9.388 1.00 0.40 C ATOM 407 O SER A 61 7.940 -10.094 9.578 1.00 0.50 O ATOM 408 CB SER A 61 9.211 -12.621 9.262 1.00 0.55 C ATOM 409 OG SER A 61 9.237 -12.908 10.651 1.00 1.11 O ATOM 0 H SER A 61 7.062 -12.965 6.904 1.00 0.36 H new ATOM 0 HA SER A 61 7.156 -13.193 9.098 1.00 0.41 H new ATOM 0 HB2 SER A 61 9.641 -13.455 8.708 1.00 0.55 H new ATOM 0 HB3 SER A 61 9.832 -11.749 9.057 1.00 0.55 H new ATOM 0 HG SER A 61 10.161 -13.071 10.934 1.00 1.11 H new ATOM 415 N PRO A 62 5.914 -11.074 9.693 1.00 0.37 N ATOM 416 CA PRO A 62 5.238 -9.920 10.292 1.00 0.42 C ATOM 417 C PRO A 62 5.733 -9.641 11.707 1.00 0.47 C ATOM 418 O PRO A 62 5.855 -10.552 12.528 1.00 0.69 O ATOM 419 CB PRO A 62 3.760 -10.332 10.328 1.00 0.50 C ATOM 420 CG PRO A 62 3.654 -11.516 9.429 1.00 0.51 C ATOM 421 CD PRO A 62 4.988 -12.195 9.484 1.00 0.38 C ATOM 0 HA PRO A 62 5.423 -9.008 9.725 1.00 0.42 H new ATOM 0 HB2 PRO A 62 3.446 -10.580 11.342 1.00 0.50 H new ATOM 0 HB3 PRO A 62 3.118 -9.520 9.985 1.00 0.50 H new ATOM 0 HG2 PRO A 62 2.861 -12.187 9.759 1.00 0.51 H new ATOM 0 HG3 PRO A 62 3.412 -11.212 8.410 1.00 0.51 H new ATOM 0 HD2 PRO A 62 5.040 -12.920 10.297 1.00 0.38 H new ATOM 0 HD3 PRO A 62 5.206 -12.734 8.562 1.00 0.38 H new ATOM 429 N VAL A 63 6.006 -8.379 11.989 1.00 0.39 N ATOM 430 CA VAL A 63 6.462 -7.973 13.306 1.00 0.48 C ATOM 431 C VAL A 63 5.385 -7.156 14.004 1.00 0.42 C ATOM 432 O VAL A 63 5.117 -6.014 13.628 1.00 0.41 O ATOM 433 CB VAL A 63 7.766 -7.153 13.240 1.00 0.60 C ATOM 434 CG1 VAL A 63 8.231 -6.761 14.637 1.00 1.43 C ATOM 435 CG2 VAL A 63 8.845 -7.942 12.518 1.00 1.14 C ATOM 0 H VAL A 63 5.919 -7.615 11.319 1.00 0.39 H new ATOM 0 HA VAL A 63 6.665 -8.882 13.872 1.00 0.48 H new ATOM 0 HB VAL A 63 7.570 -6.238 12.681 1.00 0.60 H new ATOM 0 HG11 VAL A 63 9.153 -6.183 14.565 1.00 1.43 H new ATOM 0 HG12 VAL A 63 7.462 -6.159 15.121 1.00 1.43 H new ATOM 0 HG13 VAL A 63 8.412 -7.660 15.226 1.00 1.43 H new ATOM 0 HG21 VAL A 63 9.761 -7.353 12.478 1.00 1.14 H new ATOM 0 HG22 VAL A 63 9.035 -8.872 13.053 1.00 1.14 H new ATOM 0 HG23 VAL A 63 8.514 -8.168 11.504 1.00 1.14 H new ATOM 445 N ASN A 64 4.757 -7.769 15.001 1.00 0.47 N ATOM 446 CA ASN A 64 3.722 -7.110 15.798 1.00 0.50 C ATOM 447 C ASN A 64 2.501 -6.754 14.951 1.00 0.52 C ATOM 448 O ASN A 64 1.923 -5.674 15.091 1.00 0.68 O ATOM 449 CB ASN A 64 4.285 -5.860 16.490 1.00 0.57 C ATOM 450 CG ASN A 64 5.333 -6.193 17.537 1.00 1.25 C ATOM 451 OD1 ASN A 64 6.262 -5.420 17.778 1.00 2.15 O ATOM 452 ND2 ASN A 64 5.191 -7.343 18.173 1.00 1.72 N ATOM 0 H ASN A 64 4.947 -8.731 15.281 1.00 0.47 H new ATOM 0 HA ASN A 64 3.397 -7.814 16.564 1.00 0.50 H new ATOM 0 HB2 ASN A 64 4.723 -5.201 15.740 1.00 0.57 H new ATOM 0 HB3 ASN A 64 3.469 -5.311 16.960 1.00 0.57 H new ATOM 0 HD21 ASN A 64 5.863 -7.616 18.890 1.00 1.72 H new ATOM 0 HD22 ASN A 64 4.409 -7.958 17.947 1.00 1.72 H new ATOM 459 N GLY A 65 2.113 -7.672 14.074 1.00 0.46 N ATOM 460 CA GLY A 65 0.876 -7.518 13.328 1.00 0.55 C ATOM 461 C GLY A 65 1.051 -6.860 11.981 1.00 0.45 C ATOM 462 O GLY A 65 0.090 -6.735 11.227 1.00 0.62 O ATOM 0 H GLY A 65 2.634 -8.523 13.865 1.00 0.46 H new ATOM 0 HA2 GLY A 65 0.425 -8.500 13.186 1.00 0.55 H new ATOM 0 HA3 GLY A 65 0.177 -6.929 13.921 1.00 0.55 H new ATOM 466 N LYS A 66 2.263 -6.442 11.661 1.00 0.32 N ATOM 467 CA LYS A 66 2.518 -5.825 10.370 1.00 0.35 C ATOM 468 C LYS A 66 4.003 -5.875 10.040 1.00 0.27 C ATOM 469 O LYS A 66 4.817 -6.239 10.884 1.00 0.42 O ATOM 470 CB LYS A 66 1.994 -4.382 10.325 1.00 0.58 C ATOM 471 CG LYS A 66 2.689 -3.409 11.259 1.00 0.74 C ATOM 472 CD LYS A 66 2.186 -3.530 12.689 1.00 0.90 C ATOM 473 CE LYS A 66 2.966 -2.619 13.607 1.00 1.52 C ATOM 474 NZ LYS A 66 2.545 -2.747 15.030 1.00 2.24 N ATOM 0 H LYS A 66 3.078 -6.517 12.269 1.00 0.32 H new ATOM 0 HA LYS A 66 1.977 -6.393 9.613 1.00 0.35 H new ATOM 0 HB2 LYS A 66 2.088 -4.011 9.305 1.00 0.58 H new ATOM 0 HB3 LYS A 66 0.930 -4.392 10.563 1.00 0.58 H new ATOM 0 HG2 LYS A 66 3.764 -3.591 11.237 1.00 0.74 H new ATOM 0 HG3 LYS A 66 2.530 -2.391 10.904 1.00 0.74 H new ATOM 0 HD2 LYS A 66 1.127 -3.276 12.730 1.00 0.90 H new ATOM 0 HD3 LYS A 66 2.280 -4.562 13.027 1.00 0.90 H new ATOM 0 HE2 LYS A 66 4.028 -2.848 13.524 1.00 1.52 H new ATOM 0 HE3 LYS A 66 2.836 -1.586 13.285 1.00 1.52 H new ATOM 0 HZ1 LYS A 66 3.324 -2.447 15.651 1.00 2.24 H new ATOM 0 HZ2 LYS A 66 1.714 -2.145 15.202 1.00 2.24 H new ATOM 0 HZ3 LYS A 66 2.303 -3.738 15.233 1.00 2.24 H new ATOM 488 N ILE A 67 4.361 -5.526 8.816 1.00 0.24 N ATOM 489 CA ILE A 67 5.754 -5.601 8.392 1.00 0.24 C ATOM 490 C ILE A 67 6.385 -4.218 8.326 1.00 0.28 C ATOM 491 O ILE A 67 5.684 -3.207 8.233 1.00 0.31 O ATOM 492 CB ILE A 67 5.908 -6.298 7.026 1.00 0.24 C ATOM 493 CG1 ILE A 67 4.980 -5.660 5.991 1.00 0.25 C ATOM 494 CG2 ILE A 67 5.628 -7.789 7.157 1.00 0.26 C ATOM 495 CD1 ILE A 67 5.208 -6.175 4.590 1.00 0.28 C ATOM 0 H ILE A 67 3.715 -5.190 8.102 1.00 0.24 H new ATOM 0 HA ILE A 67 6.272 -6.198 9.143 1.00 0.24 H new ATOM 0 HB ILE A 67 6.935 -6.171 6.685 1.00 0.24 H new ATOM 0 HG12 ILE A 67 3.945 -5.848 6.276 1.00 0.25 H new ATOM 0 HG13 ILE A 67 5.123 -4.579 6.002 1.00 0.25 H new ATOM 0 HG21 ILE A 67 5.741 -8.267 6.184 1.00 0.26 H new ATOM 0 HG22 ILE A 67 6.332 -8.231 7.862 1.00 0.26 H new ATOM 0 HG23 ILE A 67 4.611 -7.938 7.519 1.00 0.26 H new ATOM 0 HD11 ILE A 67 4.518 -5.683 3.905 1.00 0.28 H new ATOM 0 HD12 ILE A 67 6.233 -5.963 4.287 1.00 0.28 H new ATOM 0 HD13 ILE A 67 5.037 -7.251 4.566 1.00 0.28 H new ATOM 507 N THR A 68 7.710 -4.184 8.372 1.00 0.33 N ATOM 508 CA THR A 68 8.438 -2.930 8.381 1.00 0.38 C ATOM 509 C THR A 68 8.746 -2.468 6.962 1.00 0.39 C ATOM 510 O THR A 68 8.551 -3.210 5.991 1.00 0.46 O ATOM 511 CB THR A 68 9.761 -3.051 9.166 1.00 0.44 C ATOM 512 OG1 THR A 68 10.594 -4.050 8.567 1.00 0.52 O ATOM 513 CG2 THR A 68 9.503 -3.401 10.627 1.00 0.42 C ATOM 0 H THR A 68 8.301 -5.015 8.404 1.00 0.33 H new ATOM 0 HA THR A 68 7.799 -2.196 8.872 1.00 0.38 H new ATOM 0 HB THR A 68 10.267 -2.086 9.130 1.00 0.44 H new ATOM 0 HG1 THR A 68 10.124 -4.910 8.566 1.00 0.52 H new ATOM 0 HG21 THR A 68 10.453 -3.480 11.156 1.00 0.42 H new ATOM 0 HG22 THR A 68 8.896 -2.621 11.086 1.00 0.42 H new ATOM 0 HG23 THR A 68 8.975 -4.353 10.685 1.00 0.42 H new ATOM 521 N GLY A 69 9.236 -1.244 6.851 1.00 0.38 N ATOM 522 CA GLY A 69 9.592 -0.699 5.560 1.00 0.38 C ATOM 523 C GLY A 69 10.725 -1.459 4.901 1.00 0.36 C ATOM 524 O GLY A 69 10.818 -1.500 3.679 1.00 0.37 O ATOM 0 H GLY A 69 9.394 -0.615 7.638 1.00 0.38 H new ATOM 0 HA2 GLY A 69 8.719 -0.718 4.908 1.00 0.38 H new ATOM 0 HA3 GLY A 69 9.880 0.346 5.677 1.00 0.38 H new ATOM 528 N ALA A 70 11.587 -2.067 5.710 1.00 0.36 N ATOM 529 CA ALA A 70 12.717 -2.831 5.191 1.00 0.37 C ATOM 530 C ALA A 70 12.252 -4.119 4.515 1.00 0.34 C ATOM 531 O ALA A 70 12.686 -4.450 3.410 1.00 0.33 O ATOM 532 CB ALA A 70 13.702 -3.134 6.312 1.00 0.40 C ATOM 0 H ALA A 70 11.525 -2.046 6.728 1.00 0.36 H new ATOM 0 HA ALA A 70 13.220 -2.227 4.436 1.00 0.37 H new ATOM 0 HB1 ALA A 70 14.541 -3.704 5.914 1.00 0.40 H new ATOM 0 HB2 ALA A 70 14.067 -2.199 6.738 1.00 0.40 H new ATOM 0 HB3 ALA A 70 13.203 -3.715 7.087 1.00 0.40 H new ATOM 538 N ASN A 71 11.341 -4.819 5.170 1.00 0.40 N ATOM 539 CA ASN A 71 10.846 -6.099 4.673 1.00 0.47 C ATOM 540 C ASN A 71 10.121 -5.902 3.352 1.00 0.36 C ATOM 541 O ASN A 71 10.352 -6.620 2.377 1.00 0.33 O ATOM 542 CB ASN A 71 9.902 -6.725 5.700 1.00 0.64 C ATOM 543 CG ASN A 71 10.511 -6.785 7.092 1.00 0.80 C ATOM 544 OD1 ASN A 71 9.803 -6.645 8.092 1.00 1.73 O ATOM 545 ND2 ASN A 71 11.822 -6.984 7.171 1.00 0.58 N ATOM 0 H ASN A 71 10.925 -4.523 6.053 1.00 0.40 H new ATOM 0 HA ASN A 71 11.692 -6.768 4.513 1.00 0.47 H new ATOM 0 HB2 ASN A 71 8.977 -6.149 5.736 1.00 0.64 H new ATOM 0 HB3 ASN A 71 9.638 -7.733 5.379 1.00 0.64 H new ATOM 0 HD21 ASN A 71 12.277 -7.026 8.083 1.00 0.58 H new ATOM 0 HD22 ASN A 71 12.373 -7.095 6.320 1.00 0.58 H new ATOM 552 N ALA A 72 9.263 -4.899 3.313 1.00 0.35 N ATOM 553 CA ALA A 72 8.504 -4.618 2.114 1.00 0.30 C ATOM 554 C ALA A 72 9.388 -3.939 1.068 1.00 0.29 C ATOM 555 O ALA A 72 9.107 -4.026 -0.121 1.00 0.30 O ATOM 556 CB ALA A 72 7.276 -3.785 2.444 1.00 0.36 C ATOM 0 H ALA A 72 9.077 -4.270 4.094 1.00 0.35 H new ATOM 0 HA ALA A 72 8.156 -5.559 1.688 1.00 0.30 H new ATOM 0 HB1 ALA A 72 6.717 -3.583 1.530 1.00 0.36 H new ATOM 0 HB2 ALA A 72 6.643 -4.331 3.143 1.00 0.36 H new ATOM 0 HB3 ALA A 72 7.586 -2.843 2.895 1.00 0.36 H new ATOM 562 N LYS A 73 10.469 -3.278 1.505 1.00 0.28 N ATOM 563 CA LYS A 73 11.433 -2.701 0.566 1.00 0.31 C ATOM 564 C LYS A 73 12.054 -3.800 -0.285 1.00 0.31 C ATOM 565 O LYS A 73 12.071 -3.715 -1.514 1.00 0.34 O ATOM 566 CB LYS A 73 12.553 -1.916 1.279 1.00 0.35 C ATOM 567 CG LYS A 73 13.670 -1.486 0.330 1.00 0.39 C ATOM 568 CD LYS A 73 14.805 -0.749 1.034 1.00 0.53 C ATOM 569 CE LYS A 73 14.434 0.690 1.349 1.00 0.61 C ATOM 570 NZ LYS A 73 15.608 1.479 1.809 1.00 0.54 N ATOM 0 H LYS A 73 10.694 -3.132 2.489 1.00 0.28 H new ATOM 0 HA LYS A 73 10.884 -2.000 -0.063 1.00 0.31 H new ATOM 0 HB2 LYS A 73 12.126 -1.033 1.754 1.00 0.35 H new ATOM 0 HB3 LYS A 73 12.974 -2.533 2.073 1.00 0.35 H new ATOM 0 HG2 LYS A 73 14.072 -2.367 -0.170 1.00 0.39 H new ATOM 0 HG3 LYS A 73 13.253 -0.842 -0.444 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.058 -1.269 1.958 1.00 0.53 H new ATOM 0 HD3 LYS A 73 15.695 -0.765 0.404 1.00 0.53 H new ATOM 0 HE2 LYS A 73 14.008 1.157 0.461 1.00 0.61 H new ATOM 0 HE3 LYS A 73 13.662 0.706 2.119 1.00 0.61 H new ATOM 0 HZ1 LYS A 73 15.312 2.455 2.013 1.00 0.54 H new ATOM 0 HZ2 LYS A 73 16.000 1.048 2.671 1.00 0.54 H new ATOM 0 HZ3 LYS A 73 16.334 1.486 1.065 1.00 0.54 H new ATOM 584 N LYS A 74 12.546 -4.844 0.370 1.00 0.32 N ATOM 585 CA LYS A 74 13.200 -5.924 -0.341 1.00 0.36 C ATOM 586 C LYS A 74 12.180 -6.725 -1.147 1.00 0.34 C ATOM 587 O LYS A 74 12.512 -7.296 -2.181 1.00 0.37 O ATOM 588 CB LYS A 74 13.983 -6.817 0.626 1.00 0.43 C ATOM 589 CG LYS A 74 13.122 -7.512 1.664 1.00 0.90 C ATOM 590 CD LYS A 74 13.962 -8.095 2.780 1.00 1.04 C ATOM 591 CE LYS A 74 15.009 -9.062 2.259 1.00 1.26 C ATOM 592 NZ LYS A 74 15.782 -9.673 3.368 1.00 2.24 N ATOM 0 H LYS A 74 12.503 -4.962 1.382 1.00 0.32 H new ATOM 0 HA LYS A 74 13.917 -5.497 -1.042 1.00 0.36 H new ATOM 0 HB2 LYS A 74 14.521 -7.571 0.052 1.00 0.43 H new ATOM 0 HB3 LYS A 74 14.732 -6.212 1.137 1.00 0.43 H new ATOM 0 HG2 LYS A 74 12.406 -6.802 2.079 1.00 0.90 H new ATOM 0 HG3 LYS A 74 12.546 -8.305 1.188 1.00 0.90 H new ATOM 0 HD2 LYS A 74 14.453 -7.288 3.324 1.00 1.04 H new ATOM 0 HD3 LYS A 74 13.315 -8.610 3.490 1.00 1.04 H new ATOM 0 HE2 LYS A 74 14.525 -9.846 1.676 1.00 1.26 H new ATOM 0 HE3 LYS A 74 15.688 -8.538 1.586 1.00 1.26 H new ATOM 0 HZ1 LYS A 74 16.489 -10.329 2.978 1.00 2.24 H new ATOM 0 HZ2 LYS A 74 16.263 -8.926 3.908 1.00 2.24 H new ATOM 0 HZ3 LYS A 74 15.136 -10.193 3.996 1.00 2.24 H new ATOM 606 N GLU A 75 10.933 -6.744 -0.690 1.00 0.32 N ATOM 607 CA GLU A 75 9.863 -7.375 -1.457 1.00 0.33 C ATOM 608 C GLU A 75 9.584 -6.568 -2.727 1.00 0.31 C ATOM 609 O GLU A 75 9.379 -7.120 -3.813 1.00 0.37 O ATOM 610 CB GLU A 75 8.592 -7.497 -0.611 1.00 0.36 C ATOM 611 CG GLU A 75 7.488 -8.288 -1.298 1.00 0.40 C ATOM 612 CD GLU A 75 7.996 -9.601 -1.874 1.00 0.44 C ATOM 613 OE1 GLU A 75 8.432 -10.474 -1.094 1.00 0.76 O ATOM 614 OE2 GLU A 75 8.000 -9.755 -3.114 1.00 0.82 O ATOM 0 H GLU A 75 10.639 -6.335 0.197 1.00 0.32 H new ATOM 0 HA GLU A 75 10.181 -8.378 -1.740 1.00 0.33 H new ATOM 0 HB2 GLU A 75 8.838 -7.977 0.336 1.00 0.36 H new ATOM 0 HB3 GLU A 75 8.223 -6.499 -0.376 1.00 0.36 H new ATOM 0 HG2 GLU A 75 6.690 -8.491 -0.584 1.00 0.40 H new ATOM 0 HG3 GLU A 75 7.055 -7.686 -2.097 1.00 0.40 H new ATOM 621 N MET A 76 9.605 -5.249 -2.586 1.00 0.28 N ATOM 622 CA MET A 76 9.402 -4.349 -3.715 1.00 0.31 C ATOM 623 C MET A 76 10.460 -4.567 -4.793 1.00 0.33 C ATOM 624 O MET A 76 10.142 -4.605 -5.982 1.00 0.38 O ATOM 625 CB MET A 76 9.420 -2.891 -3.252 1.00 0.40 C ATOM 626 CG MET A 76 8.179 -2.470 -2.482 1.00 0.65 C ATOM 627 SD MET A 76 6.679 -2.535 -3.475 1.00 1.04 S ATOM 628 CE MET A 76 5.472 -1.942 -2.295 1.00 0.63 C ATOM 0 H MET A 76 9.761 -4.776 -1.696 1.00 0.28 H new ATOM 0 HA MET A 76 8.425 -4.572 -4.144 1.00 0.31 H new ATOM 0 HB2 MET A 76 10.296 -2.731 -2.624 1.00 0.40 H new ATOM 0 HB3 MET A 76 9.531 -2.245 -4.123 1.00 0.40 H new ATOM 0 HG2 MET A 76 8.061 -3.117 -1.613 1.00 0.65 H new ATOM 0 HG3 MET A 76 8.317 -1.455 -2.108 1.00 0.65 H new ATOM 0 HE1 MET A 76 4.487 -1.924 -2.760 1.00 0.63 H new ATOM 0 HE2 MET A 76 5.453 -2.605 -1.430 1.00 0.63 H new ATOM 0 HE3 MET A 76 5.741 -0.935 -1.975 1.00 0.63 H new ATOM 638 N VAL A 77 11.718 -4.729 -4.385 1.00 0.35 N ATOM 639 CA VAL A 77 12.787 -4.961 -5.354 1.00 0.44 C ATOM 640 C VAL A 77 12.679 -6.367 -5.941 1.00 0.49 C ATOM 641 O VAL A 77 13.140 -6.629 -7.052 1.00 0.62 O ATOM 642 CB VAL A 77 14.198 -4.743 -4.754 1.00 0.52 C ATOM 643 CG1 VAL A 77 14.302 -3.368 -4.118 1.00 0.78 C ATOM 644 CG2 VAL A 77 14.562 -5.822 -3.747 1.00 1.02 C ATOM 0 H VAL A 77 12.018 -4.705 -3.410 1.00 0.35 H new ATOM 0 HA VAL A 77 12.658 -4.223 -6.146 1.00 0.44 H new ATOM 0 HB VAL A 77 14.912 -4.808 -5.575 1.00 0.52 H new ATOM 0 HG11 VAL A 77 15.301 -3.234 -3.702 1.00 0.78 H new ATOM 0 HG12 VAL A 77 14.117 -2.603 -4.872 1.00 0.78 H new ATOM 0 HG13 VAL A 77 13.563 -3.278 -3.322 1.00 0.78 H new ATOM 0 HG21 VAL A 77 15.559 -5.629 -3.352 1.00 1.02 H new ATOM 0 HG22 VAL A 77 13.841 -5.815 -2.930 1.00 1.02 H new ATOM 0 HG23 VAL A 77 14.547 -6.796 -4.236 1.00 1.02 H new ATOM 654 N LYS A 78 12.043 -7.265 -5.194 1.00 0.46 N ATOM 655 CA LYS A 78 11.784 -8.614 -5.674 1.00 0.58 C ATOM 656 C LYS A 78 10.708 -8.603 -6.753 1.00 0.53 C ATOM 657 O LYS A 78 10.612 -9.535 -7.550 1.00 0.62 O ATOM 658 CB LYS A 78 11.372 -9.526 -4.518 1.00 0.76 C ATOM 659 CG LYS A 78 12.536 -9.875 -3.610 1.00 0.97 C ATOM 660 CD LYS A 78 12.100 -10.516 -2.295 1.00 1.17 C ATOM 661 CE LYS A 78 11.432 -11.865 -2.483 1.00 2.01 C ATOM 662 NZ LYS A 78 9.985 -11.748 -2.820 1.00 3.04 N ATOM 0 H LYS A 78 11.698 -7.080 -4.252 1.00 0.46 H new ATOM 0 HA LYS A 78 12.704 -9.004 -6.110 1.00 0.58 H new ATOM 0 HB2 LYS A 78 10.593 -9.037 -3.933 1.00 0.76 H new ATOM 0 HB3 LYS A 78 10.941 -10.443 -4.919 1.00 0.76 H new ATOM 0 HG2 LYS A 78 13.206 -10.556 -4.134 1.00 0.97 H new ATOM 0 HG3 LYS A 78 13.105 -8.970 -3.395 1.00 0.97 H new ATOM 0 HD2 LYS A 78 12.970 -10.635 -1.650 1.00 1.17 H new ATOM 0 HD3 LYS A 78 11.412 -9.845 -1.781 1.00 1.17 H new ATOM 0 HE2 LYS A 78 11.943 -12.411 -3.276 1.00 2.01 H new ATOM 0 HE3 LYS A 78 11.542 -12.451 -1.570 1.00 2.01 H new ATOM 0 HZ1 LYS A 78 9.695 -12.565 -3.395 1.00 3.04 H new ATOM 0 HZ2 LYS A 78 9.425 -11.726 -1.944 1.00 3.04 H new ATOM 0 HZ3 LYS A 78 9.823 -10.872 -3.357 1.00 3.04 H new ATOM 676 N SER A 79 9.912 -7.540 -6.773 1.00 0.47 N ATOM 677 CA SER A 79 8.879 -7.373 -7.789 1.00 0.49 C ATOM 678 C SER A 79 9.450 -6.739 -9.064 1.00 0.48 C ATOM 679 O SER A 79 8.721 -6.501 -10.025 1.00 0.57 O ATOM 680 CB SER A 79 7.732 -6.526 -7.233 1.00 0.48 C ATOM 681 OG SER A 79 7.163 -7.134 -6.081 1.00 0.86 O ATOM 0 H SER A 79 9.962 -6.779 -6.096 1.00 0.47 H new ATOM 0 HA SER A 79 8.496 -8.359 -8.054 1.00 0.49 H new ATOM 0 HB2 SER A 79 8.099 -5.531 -6.980 1.00 0.48 H new ATOM 0 HB3 SER A 79 6.966 -6.398 -7.997 1.00 0.48 H new ATOM 0 HG SER A 79 7.829 -7.162 -5.363 1.00 0.86 H new ATOM 687 N LYS A 80 10.761 -6.476 -9.054 1.00 0.44 N ATOM 688 CA LYS A 80 11.482 -5.949 -10.220 1.00 0.47 C ATOM 689 C LYS A 80 10.975 -4.574 -10.661 1.00 0.46 C ATOM 690 O LYS A 80 11.140 -4.187 -11.821 1.00 0.58 O ATOM 691 CB LYS A 80 11.409 -6.925 -11.395 1.00 0.60 C ATOM 692 CG LYS A 80 12.514 -7.967 -11.398 1.00 0.64 C ATOM 693 CD LYS A 80 12.557 -8.756 -10.101 1.00 1.15 C ATOM 694 CE LYS A 80 13.518 -9.929 -10.201 1.00 1.42 C ATOM 695 NZ LYS A 80 13.405 -10.857 -9.046 1.00 2.05 N ATOM 0 H LYS A 80 11.354 -6.622 -8.237 1.00 0.44 H new ATOM 0 HA LYS A 80 12.519 -5.831 -9.907 1.00 0.47 H new ATOM 0 HB2 LYS A 80 10.444 -7.432 -11.374 1.00 0.60 H new ATOM 0 HB3 LYS A 80 11.452 -6.361 -12.327 1.00 0.60 H new ATOM 0 HG2 LYS A 80 12.365 -8.651 -12.233 1.00 0.64 H new ATOM 0 HG3 LYS A 80 13.474 -7.476 -11.556 1.00 0.64 H new ATOM 0 HD2 LYS A 80 12.862 -8.102 -9.284 1.00 1.15 H new ATOM 0 HD3 LYS A 80 11.558 -9.121 -9.861 1.00 1.15 H new ATOM 0 HE2 LYS A 80 13.323 -10.476 -11.123 1.00 1.42 H new ATOM 0 HE3 LYS A 80 14.539 -9.554 -10.263 1.00 1.42 H new ATOM 0 HZ1 LYS A 80 14.081 -11.639 -9.162 1.00 2.05 H new ATOM 0 HZ2 LYS A 80 13.617 -10.344 -8.166 1.00 2.05 H new ATOM 0 HZ3 LYS A 80 12.438 -11.238 -9.000 1.00 2.05 H new ATOM 709 N LEU A 81 10.390 -3.826 -9.736 1.00 0.42 N ATOM 710 CA LEU A 81 9.855 -2.510 -10.061 1.00 0.43 C ATOM 711 C LEU A 81 10.837 -1.407 -9.660 1.00 0.43 C ATOM 712 O LEU A 81 11.490 -1.499 -8.622 1.00 0.44 O ATOM 713 CB LEU A 81 8.503 -2.300 -9.377 1.00 0.46 C ATOM 714 CG LEU A 81 7.396 -3.263 -9.809 1.00 0.63 C ATOM 715 CD1 LEU A 81 6.126 -3.008 -9.013 1.00 1.34 C ATOM 716 CD2 LEU A 81 7.124 -3.132 -11.301 1.00 1.22 C ATOM 0 H LEU A 81 10.274 -4.104 -8.762 1.00 0.42 H new ATOM 0 HA LEU A 81 9.710 -2.458 -11.140 1.00 0.43 H new ATOM 0 HB2 LEU A 81 8.641 -2.391 -8.300 1.00 0.46 H new ATOM 0 HB3 LEU A 81 8.171 -1.280 -9.571 1.00 0.46 H new ATOM 0 HG LEU A 81 7.730 -4.281 -9.608 1.00 0.63 H new ATOM 0 HD11 LEU A 81 5.350 -3.702 -9.334 1.00 1.34 H new ATOM 0 HD12 LEU A 81 6.327 -3.153 -7.952 1.00 1.34 H new ATOM 0 HD13 LEU A 81 5.790 -1.985 -9.182 1.00 1.34 H new ATOM 0 HD21 LEU A 81 6.334 -3.825 -11.589 1.00 1.22 H new ATOM 0 HD22 LEU A 81 6.812 -2.112 -11.526 1.00 1.22 H new ATOM 0 HD23 LEU A 81 8.031 -3.365 -11.858 1.00 1.22 H new ATOM 728 N PRO A 82 10.963 -0.362 -10.501 1.00 0.45 N ATOM 729 CA PRO A 82 11.870 0.765 -10.252 1.00 0.49 C ATOM 730 C PRO A 82 11.475 1.576 -9.017 1.00 0.44 C ATOM 731 O PRO A 82 10.320 1.550 -8.588 1.00 0.39 O ATOM 732 CB PRO A 82 11.738 1.638 -11.509 1.00 0.54 C ATOM 733 CG PRO A 82 11.067 0.777 -12.528 1.00 0.62 C ATOM 734 CD PRO A 82 10.233 -0.208 -11.766 1.00 0.48 C ATOM 0 HA PRO A 82 12.885 0.416 -10.062 1.00 0.49 H new ATOM 0 HB2 PRO A 82 11.151 2.533 -11.304 1.00 0.54 H new ATOM 0 HB3 PRO A 82 12.715 1.971 -11.859 1.00 0.54 H new ATOM 0 HG2 PRO A 82 10.448 1.376 -13.196 1.00 0.62 H new ATOM 0 HG3 PRO A 82 11.802 0.265 -13.149 1.00 0.62 H new ATOM 0 HD2 PRO A 82 9.221 0.163 -11.604 1.00 0.48 H new ATOM 0 HD3 PRO A 82 10.144 -1.156 -12.297 1.00 0.48 H new ATOM 742 N ASN A 83 12.438 2.322 -8.481 1.00 0.49 N ATOM 743 CA ASN A 83 12.238 3.114 -7.266 1.00 0.48 C ATOM 744 C ASN A 83 11.082 4.088 -7.417 1.00 0.41 C ATOM 745 O ASN A 83 10.267 4.231 -6.514 1.00 0.37 O ATOM 746 CB ASN A 83 13.510 3.889 -6.914 1.00 0.57 C ATOM 747 CG ASN A 83 14.646 2.990 -6.468 1.00 0.71 C ATOM 748 OD1 ASN A 83 15.430 2.507 -7.283 1.00 0.94 O ATOM 749 ND2 ASN A 83 14.746 2.766 -5.169 1.00 0.89 N ATOM 0 H ASN A 83 13.377 2.396 -8.874 1.00 0.49 H new ATOM 0 HA ASN A 83 12.000 2.417 -6.462 1.00 0.48 H new ATOM 0 HB2 ASN A 83 13.830 4.466 -7.782 1.00 0.57 H new ATOM 0 HB3 ASN A 83 13.286 4.603 -6.122 1.00 0.57 H new ATOM 0 HD21 ASN A 83 15.494 2.173 -4.810 1.00 0.89 H new ATOM 0 HD22 ASN A 83 14.075 3.186 -4.526 1.00 0.89 H new ATOM 756 N THR A 84 11.018 4.754 -8.562 1.00 0.44 N ATOM 757 CA THR A 84 9.944 5.700 -8.840 1.00 0.42 C ATOM 758 C THR A 84 8.577 5.028 -8.707 1.00 0.35 C ATOM 759 O THR A 84 7.662 5.562 -8.075 1.00 0.35 O ATOM 760 CB THR A 84 10.086 6.266 -10.264 1.00 0.48 C ATOM 761 OG1 THR A 84 11.460 6.587 -10.518 1.00 0.59 O ATOM 762 CG2 THR A 84 9.228 7.508 -10.453 1.00 0.46 C ATOM 0 H THR A 84 11.699 4.657 -9.315 1.00 0.44 H new ATOM 0 HA THR A 84 10.017 6.509 -8.113 1.00 0.42 H new ATOM 0 HB THR A 84 9.745 5.507 -10.968 1.00 0.48 H new ATOM 0 HG1 THR A 84 11.550 6.946 -11.426 1.00 0.59 H new ATOM 0 HG21 THR A 84 9.350 7.884 -11.469 1.00 0.46 H new ATOM 0 HG22 THR A 84 8.181 7.256 -10.283 1.00 0.46 H new ATOM 0 HG23 THR A 84 9.537 8.275 -9.743 1.00 0.46 H new ATOM 770 N VAL A 85 8.458 3.840 -9.291 1.00 0.34 N ATOM 771 CA VAL A 85 7.214 3.089 -9.265 1.00 0.31 C ATOM 772 C VAL A 85 6.856 2.691 -7.835 1.00 0.27 C ATOM 773 O VAL A 85 5.716 2.856 -7.403 1.00 0.29 O ATOM 774 CB VAL A 85 7.317 1.832 -10.156 1.00 0.33 C ATOM 775 CG1 VAL A 85 6.041 1.014 -10.107 1.00 0.36 C ATOM 776 CG2 VAL A 85 7.639 2.228 -11.589 1.00 0.40 C ATOM 0 H VAL A 85 9.216 3.376 -9.791 1.00 0.34 H new ATOM 0 HA VAL A 85 6.424 3.729 -9.657 1.00 0.31 H new ATOM 0 HB VAL A 85 8.125 1.211 -9.770 1.00 0.33 H new ATOM 0 HG11 VAL A 85 6.147 0.136 -10.745 1.00 0.36 H new ATOM 0 HG12 VAL A 85 5.851 0.697 -9.082 1.00 0.36 H new ATOM 0 HG13 VAL A 85 5.206 1.620 -10.459 1.00 0.36 H new ATOM 0 HG21 VAL A 85 7.709 1.333 -12.207 1.00 0.40 H new ATOM 0 HG22 VAL A 85 6.850 2.874 -11.974 1.00 0.40 H new ATOM 0 HG23 VAL A 85 8.589 2.761 -11.614 1.00 0.40 H new ATOM 786 N LEU A 86 7.846 2.199 -7.101 1.00 0.25 N ATOM 787 CA LEU A 86 7.653 1.825 -5.703 1.00 0.24 C ATOM 788 C LEU A 86 7.272 3.045 -4.879 1.00 0.25 C ATOM 789 O LEU A 86 6.442 2.967 -3.973 1.00 0.27 O ATOM 790 CB LEU A 86 8.934 1.231 -5.136 1.00 0.26 C ATOM 791 CG LEU A 86 9.581 0.146 -5.997 1.00 0.41 C ATOM 792 CD1 LEU A 86 10.914 -0.284 -5.410 1.00 1.25 C ATOM 793 CD2 LEU A 86 8.648 -1.044 -6.129 1.00 1.23 C ATOM 0 H LEU A 86 8.793 2.049 -7.450 1.00 0.25 H new ATOM 0 HA LEU A 86 6.853 1.086 -5.655 1.00 0.24 H new ATOM 0 HB2 LEU A 86 9.655 2.035 -4.989 1.00 0.26 H new ATOM 0 HB3 LEU A 86 8.718 0.813 -4.153 1.00 0.26 H new ATOM 0 HG LEU A 86 9.765 0.557 -6.990 1.00 0.41 H new ATOM 0 HD11 LEU A 86 11.356 -1.057 -6.039 1.00 1.25 H new ATOM 0 HD12 LEU A 86 11.585 0.574 -5.363 1.00 1.25 H new ATOM 0 HD13 LEU A 86 10.759 -0.678 -4.406 1.00 1.25 H new ATOM 0 HD21 LEU A 86 9.120 -1.810 -6.744 1.00 1.23 H new ATOM 0 HD22 LEU A 86 8.437 -1.452 -5.141 1.00 1.23 H new ATOM 0 HD23 LEU A 86 7.716 -0.726 -6.597 1.00 1.23 H new ATOM 805 N GLY A 87 7.897 4.168 -5.207 1.00 0.28 N ATOM 806 CA GLY A 87 7.592 5.422 -4.557 1.00 0.32 C ATOM 807 C GLY A 87 6.129 5.772 -4.674 1.00 0.31 C ATOM 808 O GLY A 87 5.524 6.270 -3.728 1.00 0.34 O ATOM 0 H GLY A 87 8.620 4.229 -5.923 1.00 0.28 H new ATOM 0 HA2 GLY A 87 7.869 5.363 -3.504 1.00 0.32 H new ATOM 0 HA3 GLY A 87 8.192 6.217 -5.000 1.00 0.32 H new ATOM 812 N LYS A 88 5.553 5.461 -5.826 1.00 0.29 N ATOM 813 CA LYS A 88 4.154 5.759 -6.095 1.00 0.32 C ATOM 814 C LYS A 88 3.249 4.751 -5.399 1.00 0.31 C ATOM 815 O LYS A 88 2.289 5.123 -4.724 1.00 0.33 O ATOM 816 CB LYS A 88 3.902 5.750 -7.602 1.00 0.37 C ATOM 817 CG LYS A 88 4.655 6.844 -8.334 1.00 1.10 C ATOM 818 CD LYS A 88 4.665 6.627 -9.842 1.00 1.05 C ATOM 819 CE LYS A 88 3.263 6.633 -10.439 1.00 0.68 C ATOM 820 NZ LYS A 88 3.296 6.623 -11.928 1.00 1.16 N ATOM 0 H LYS A 88 6.038 4.999 -6.595 1.00 0.29 H new ATOM 0 HA LYS A 88 3.924 6.750 -5.704 1.00 0.32 H new ATOM 0 HB2 LYS A 88 4.194 4.781 -8.008 1.00 0.37 H new ATOM 0 HB3 LYS A 88 2.834 5.865 -7.787 1.00 0.37 H new ATOM 0 HG2 LYS A 88 4.199 7.808 -8.111 1.00 1.10 H new ATOM 0 HG3 LYS A 88 5.681 6.884 -7.968 1.00 1.10 H new ATOM 0 HD2 LYS A 88 5.262 7.407 -10.315 1.00 1.05 H new ATOM 0 HD3 LYS A 88 5.148 5.676 -10.066 1.00 1.05 H new ATOM 0 HE2 LYS A 88 2.712 5.763 -10.082 1.00 0.68 H new ATOM 0 HE3 LYS A 88 2.724 7.515 -10.093 1.00 0.68 H new ATOM 0 HZ1 LYS A 88 2.344 6.423 -12.295 1.00 1.16 H new ATOM 0 HZ2 LYS A 88 3.613 7.551 -12.274 1.00 1.16 H new ATOM 0 HZ3 LYS A 88 3.954 5.888 -12.256 1.00 1.16 H new ATOM 834 N ILE A 89 3.576 3.472 -5.551 1.00 0.28 N ATOM 835 CA ILE A 89 2.793 2.397 -4.943 1.00 0.30 C ATOM 836 C ILE A 89 2.714 2.564 -3.426 1.00 0.28 C ATOM 837 O ILE A 89 1.629 2.527 -2.847 1.00 0.30 O ATOM 838 CB ILE A 89 3.386 1.009 -5.271 1.00 0.31 C ATOM 839 CG1 ILE A 89 3.460 0.822 -6.785 1.00 0.37 C ATOM 840 CG2 ILE A 89 2.551 -0.094 -4.636 1.00 0.34 C ATOM 841 CD1 ILE A 89 4.107 -0.477 -7.207 1.00 0.89 C ATOM 0 H ILE A 89 4.380 3.152 -6.091 1.00 0.28 H new ATOM 0 HA ILE A 89 1.790 2.460 -5.364 1.00 0.30 H new ATOM 0 HB ILE A 89 4.393 0.950 -4.859 1.00 0.31 H new ATOM 0 HG12 ILE A 89 2.452 0.866 -7.197 1.00 0.37 H new ATOM 0 HG13 ILE A 89 4.018 1.653 -7.218 1.00 0.37 H new ATOM 0 HG21 ILE A 89 2.985 -1.064 -4.879 1.00 0.34 H new ATOM 0 HG22 ILE A 89 2.537 0.037 -3.554 1.00 0.34 H new ATOM 0 HG23 ILE A 89 1.532 -0.046 -5.020 1.00 0.34 H new ATOM 0 HD11 ILE A 89 4.124 -0.539 -8.295 1.00 0.89 H new ATOM 0 HD12 ILE A 89 5.127 -0.516 -6.826 1.00 0.89 H new ATOM 0 HD13 ILE A 89 3.537 -1.315 -6.805 1.00 0.89 H new ATOM 853 N TRP A 90 3.864 2.774 -2.795 1.00 0.25 N ATOM 854 CA TRP A 90 3.919 2.953 -1.344 1.00 0.25 C ATOM 855 C TRP A 90 3.208 4.248 -0.944 1.00 0.28 C ATOM 856 O TRP A 90 2.505 4.305 0.068 1.00 0.33 O ATOM 857 CB TRP A 90 5.378 2.974 -0.872 1.00 0.22 C ATOM 858 CG TRP A 90 5.539 2.965 0.617 1.00 0.22 C ATOM 859 CD1 TRP A 90 5.295 3.999 1.474 1.00 0.25 C ATOM 860 CD2 TRP A 90 5.996 1.875 1.424 1.00 0.24 C ATOM 861 NE1 TRP A 90 5.553 3.616 2.763 1.00 0.27 N ATOM 862 CE2 TRP A 90 5.983 2.316 2.760 1.00 0.27 C ATOM 863 CE3 TRP A 90 6.399 0.564 1.152 1.00 0.29 C ATOM 864 CZ2 TRP A 90 6.370 1.502 3.819 1.00 0.31 C ATOM 865 CZ3 TRP A 90 6.786 -0.243 2.206 1.00 0.35 C ATOM 866 CH2 TRP A 90 6.762 0.226 3.524 1.00 0.35 C ATOM 0 H TRP A 90 4.770 2.825 -3.261 1.00 0.25 H new ATOM 0 HA TRP A 90 3.410 2.117 -0.865 1.00 0.25 H new ATOM 0 HB2 TRP A 90 5.896 2.110 -1.288 1.00 0.22 H new ATOM 0 HB3 TRP A 90 5.866 3.862 -1.274 1.00 0.22 H new ATOM 0 HD1 TRP A 90 4.948 4.978 1.178 1.00 0.25 H new ATOM 0 HE1 TRP A 90 5.443 4.203 3.590 1.00 0.27 H new ATOM 0 HE3 TRP A 90 6.408 0.189 0.139 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 6.361 1.864 4.836 1.00 0.31 H new ATOM 0 HZ3 TRP A 90 7.113 -1.253 2.008 1.00 0.35 H new ATOM 0 HH2 TRP A 90 7.059 -0.434 4.325 1.00 0.35 H new ATOM 877 N LYS A 91 3.386 5.278 -1.768 1.00 0.30 N ATOM 878 CA LYS A 91 2.774 6.586 -1.542 1.00 0.37 C ATOM 879 C LYS A 91 1.254 6.470 -1.437 1.00 0.37 C ATOM 880 O LYS A 91 0.615 7.217 -0.695 1.00 0.43 O ATOM 881 CB LYS A 91 3.154 7.530 -2.687 1.00 0.45 C ATOM 882 CG LYS A 91 2.702 8.969 -2.515 1.00 0.62 C ATOM 883 CD LYS A 91 3.096 9.810 -3.722 1.00 1.19 C ATOM 884 CE LYS A 91 4.612 9.943 -3.859 1.00 1.38 C ATOM 885 NZ LYS A 91 5.191 10.879 -2.853 1.00 1.16 N ATOM 0 H LYS A 91 3.958 5.230 -2.611 1.00 0.30 H new ATOM 0 HA LYS A 91 3.145 6.987 -0.599 1.00 0.37 H new ATOM 0 HB2 LYS A 91 4.238 7.518 -2.802 1.00 0.45 H new ATOM 0 HB3 LYS A 91 2.731 7.141 -3.613 1.00 0.45 H new ATOM 0 HG2 LYS A 91 1.621 9.001 -2.382 1.00 0.62 H new ATOM 0 HG3 LYS A 91 3.147 9.389 -1.613 1.00 0.62 H new ATOM 0 HD2 LYS A 91 2.689 9.358 -4.627 1.00 1.19 H new ATOM 0 HD3 LYS A 91 2.652 10.801 -3.633 1.00 1.19 H new ATOM 0 HE2 LYS A 91 5.072 8.961 -3.746 1.00 1.38 H new ATOM 0 HE3 LYS A 91 4.855 10.295 -4.862 1.00 1.38 H new ATOM 0 HZ1 LYS A 91 6.159 11.135 -3.134 1.00 1.16 H new ATOM 0 HZ2 LYS A 91 4.607 11.738 -2.801 1.00 1.16 H new ATOM 0 HZ3 LYS A 91 5.212 10.418 -1.921 1.00 1.16 H new ATOM 899 N LEU A 92 0.686 5.532 -2.180 1.00 0.34 N ATOM 900 CA LEU A 92 -0.753 5.300 -2.159 1.00 0.37 C ATOM 901 C LEU A 92 -1.167 4.259 -1.110 1.00 0.35 C ATOM 902 O LEU A 92 -2.145 4.458 -0.394 1.00 0.37 O ATOM 903 CB LEU A 92 -1.235 4.847 -3.538 1.00 0.43 C ATOM 904 CG LEU A 92 -1.572 5.970 -4.531 1.00 0.59 C ATOM 905 CD1 LEU A 92 -2.571 6.935 -3.915 1.00 1.53 C ATOM 906 CD2 LEU A 92 -0.323 6.721 -4.968 1.00 1.21 C ATOM 0 H LEU A 92 1.201 4.916 -2.808 1.00 0.34 H new ATOM 0 HA LEU A 92 -1.220 6.247 -1.889 1.00 0.37 H new ATOM 0 HB2 LEU A 92 -0.466 4.215 -3.981 1.00 0.43 H new ATOM 0 HB3 LEU A 92 -2.121 4.226 -3.406 1.00 0.43 H new ATOM 0 HG LEU A 92 -2.014 5.510 -5.415 1.00 0.59 H new ATOM 0 HD11 LEU A 92 -2.801 7.726 -4.629 1.00 1.53 H new ATOM 0 HD12 LEU A 92 -3.485 6.399 -3.660 1.00 1.53 H new ATOM 0 HD13 LEU A 92 -2.144 7.374 -3.013 1.00 1.53 H new ATOM 0 HD21 LEU A 92 -0.599 7.508 -5.670 1.00 1.21 H new ATOM 0 HD22 LEU A 92 0.159 7.164 -4.096 1.00 1.21 H new ATOM 0 HD23 LEU A 92 0.367 6.029 -5.451 1.00 1.21 H new ATOM 918 N ALA A 93 -0.411 3.165 -1.017 1.00 0.35 N ATOM 919 CA ALA A 93 -0.801 2.020 -0.185 1.00 0.39 C ATOM 920 C ALA A 93 -0.867 2.372 1.300 1.00 0.35 C ATOM 921 O ALA A 93 -1.796 1.963 1.998 1.00 0.40 O ATOM 922 CB ALA A 93 0.158 0.858 -0.404 1.00 0.43 C ATOM 0 H ALA A 93 0.476 3.045 -1.507 1.00 0.35 H new ATOM 0 HA ALA A 93 -1.805 1.729 -0.493 1.00 0.39 H new ATOM 0 HB1 ALA A 93 -0.143 0.016 0.219 1.00 0.43 H new ATOM 0 HB2 ALA A 93 0.135 0.560 -1.452 1.00 0.43 H new ATOM 0 HB3 ALA A 93 1.169 1.165 -0.136 1.00 0.43 H new ATOM 928 N ASP A 94 0.110 3.127 1.777 1.00 0.30 N ATOM 929 CA ASP A 94 0.116 3.558 3.175 1.00 0.32 C ATOM 930 C ASP A 94 -0.613 4.889 3.295 1.00 0.35 C ATOM 931 O ASP A 94 -0.060 5.943 2.982 1.00 0.46 O ATOM 932 CB ASP A 94 1.549 3.665 3.710 1.00 0.35 C ATOM 933 CG ASP A 94 1.619 3.978 5.200 1.00 0.42 C ATOM 934 OD1 ASP A 94 0.686 3.605 5.957 1.00 0.59 O ATOM 935 OD2 ASP A 94 2.616 4.590 5.628 1.00 0.56 O ATOM 0 H ASP A 94 0.904 3.454 1.227 1.00 0.30 H new ATOM 0 HA ASP A 94 -0.402 2.814 3.780 1.00 0.32 H new ATOM 0 HB2 ASP A 94 2.071 2.727 3.519 1.00 0.35 H new ATOM 0 HB3 ASP A 94 2.077 4.442 3.158 1.00 0.35 H new ATOM 940 N VAL A 95 -1.866 4.823 3.719 1.00 0.42 N ATOM 941 CA VAL A 95 -2.750 5.977 3.693 1.00 0.51 C ATOM 942 C VAL A 95 -2.545 6.878 4.911 1.00 0.59 C ATOM 943 O VAL A 95 -2.716 8.094 4.834 1.00 0.74 O ATOM 944 CB VAL A 95 -4.230 5.531 3.599 1.00 0.60 C ATOM 945 CG1 VAL A 95 -4.420 4.590 2.419 1.00 1.15 C ATOM 946 CG2 VAL A 95 -4.697 4.859 4.884 1.00 1.49 C ATOM 0 H VAL A 95 -2.296 3.975 4.088 1.00 0.42 H new ATOM 0 HA VAL A 95 -2.498 6.557 2.805 1.00 0.51 H new ATOM 0 HB VAL A 95 -4.837 6.424 3.450 1.00 0.60 H new ATOM 0 HG11 VAL A 95 -5.464 4.283 2.363 1.00 1.15 H new ATOM 0 HG12 VAL A 95 -4.142 5.101 1.497 1.00 1.15 H new ATOM 0 HG13 VAL A 95 -3.790 3.710 2.550 1.00 1.15 H new ATOM 0 HG21 VAL A 95 -5.740 4.560 4.780 1.00 1.49 H new ATOM 0 HG22 VAL A 95 -4.085 3.978 5.077 1.00 1.49 H new ATOM 0 HG23 VAL A 95 -4.601 5.557 5.715 1.00 1.49 H new ATOM 956 N ASP A 96 -2.155 6.278 6.025 1.00 0.59 N ATOM 957 CA ASP A 96 -2.001 7.002 7.288 1.00 0.69 C ATOM 958 C ASP A 96 -0.534 7.303 7.605 1.00 0.53 C ATOM 959 O ASP A 96 -0.244 8.049 8.538 1.00 0.57 O ATOM 960 CB ASP A 96 -2.644 6.215 8.438 1.00 0.88 C ATOM 961 CG ASP A 96 -2.480 4.714 8.280 1.00 0.93 C ATOM 962 OD1 ASP A 96 -1.445 4.274 7.720 1.00 1.02 O ATOM 963 OD2 ASP A 96 -3.389 3.969 8.689 1.00 1.45 O ATOM 0 H ASP A 96 -1.937 5.283 6.085 1.00 0.59 H new ATOM 0 HA ASP A 96 -2.513 7.958 7.178 1.00 0.69 H new ATOM 0 HB2 ASP A 96 -2.198 6.528 9.382 1.00 0.88 H new ATOM 0 HB3 ASP A 96 -3.705 6.457 8.491 1.00 0.88 H new ATOM 968 N LYS A 97 0.374 6.719 6.826 1.00 0.43 N ATOM 969 CA LYS A 97 1.814 6.984 6.949 1.00 0.47 C ATOM 970 C LYS A 97 2.384 6.485 8.273 1.00 0.49 C ATOM 971 O LYS A 97 2.659 7.269 9.187 1.00 0.66 O ATOM 972 CB LYS A 97 2.144 8.467 6.754 1.00 0.63 C ATOM 973 CG LYS A 97 1.647 9.026 5.430 1.00 0.67 C ATOM 974 CD LYS A 97 2.054 8.142 4.260 1.00 1.18 C ATOM 975 CE LYS A 97 1.532 8.697 2.949 1.00 1.77 C ATOM 976 NZ LYS A 97 1.623 7.707 1.844 1.00 2.67 N ATOM 0 H LYS A 97 0.138 6.050 6.093 1.00 0.43 H new ATOM 0 HA LYS A 97 2.291 6.421 6.147 1.00 0.47 H new ATOM 0 HB2 LYS A 97 1.704 9.040 7.570 1.00 0.63 H new ATOM 0 HB3 LYS A 97 3.224 8.603 6.815 1.00 0.63 H new ATOM 0 HG2 LYS A 97 0.561 9.117 5.458 1.00 0.67 H new ATOM 0 HG3 LYS A 97 2.047 10.029 5.285 1.00 0.67 H new ATOM 0 HD2 LYS A 97 3.141 8.065 4.219 1.00 1.18 H new ATOM 0 HD3 LYS A 97 1.669 7.134 4.411 1.00 1.18 H new ATOM 0 HE2 LYS A 97 0.494 9.005 3.074 1.00 1.77 H new ATOM 0 HE3 LYS A 97 2.099 9.589 2.683 1.00 1.77 H new ATOM 0 HZ1 LYS A 97 1.134 8.078 1.004 1.00 2.67 H new ATOM 0 HZ2 LYS A 97 2.622 7.534 1.614 1.00 2.67 H new ATOM 0 HZ3 LYS A 97 1.176 6.815 2.139 1.00 2.67 H new ATOM 990 N ASP A 98 2.538 5.176 8.375 1.00 0.46 N ATOM 991 CA ASP A 98 3.109 4.564 9.571 1.00 0.51 C ATOM 992 C ASP A 98 4.607 4.420 9.400 1.00 0.43 C ATOM 993 O ASP A 98 5.367 4.439 10.368 1.00 0.49 O ATOM 994 CB ASP A 98 2.532 3.165 9.818 1.00 0.65 C ATOM 995 CG ASP A 98 1.027 3.107 9.731 1.00 0.56 C ATOM 996 OD1 ASP A 98 0.358 3.350 10.754 1.00 1.13 O ATOM 997 OD2 ASP A 98 0.514 2.804 8.633 1.00 0.70 O ATOM 0 H ASP A 98 2.277 4.513 7.645 1.00 0.46 H new ATOM 0 HA ASP A 98 2.866 5.208 10.416 1.00 0.51 H new ATOM 0 HB2 ASP A 98 2.956 2.473 9.091 1.00 0.65 H new ATOM 0 HB3 ASP A 98 2.844 2.822 10.804 1.00 0.65 H new ATOM 1002 N GLY A 99 5.021 4.269 8.153 1.00 0.40 N ATOM 1003 CA GLY A 99 6.378 3.857 7.872 1.00 0.43 C ATOM 1004 C GLY A 99 6.453 2.344 7.840 1.00 0.35 C ATOM 1005 O GLY A 99 7.519 1.753 7.667 1.00 0.40 O ATOM 0 H GLY A 99 4.440 4.425 7.329 1.00 0.40 H new ATOM 0 HA2 GLY A 99 6.703 4.268 6.916 1.00 0.43 H new ATOM 0 HA3 GLY A 99 7.053 4.249 8.633 1.00 0.43 H new ATOM 1009 N LEU A 100 5.283 1.736 8.020 1.00 0.33 N ATOM 1010 CA LEU A 100 5.112 0.289 8.040 1.00 0.30 C ATOM 1011 C LEU A 100 3.912 -0.066 7.173 1.00 0.31 C ATOM 1012 O LEU A 100 3.229 0.827 6.677 1.00 0.40 O ATOM 1013 CB LEU A 100 4.855 -0.195 9.474 1.00 0.30 C ATOM 1014 CG LEU A 100 5.862 0.276 10.528 1.00 0.33 C ATOM 1015 CD1 LEU A 100 5.334 0.002 11.926 1.00 0.45 C ATOM 1016 CD2 LEU A 100 7.206 -0.404 10.329 1.00 0.39 C ATOM 0 H LEU A 100 4.411 2.247 8.159 1.00 0.33 H new ATOM 0 HA LEU A 100 6.015 -0.190 7.662 1.00 0.30 H new ATOM 0 HB2 LEU A 100 3.861 0.135 9.776 1.00 0.30 H new ATOM 0 HB3 LEU A 100 4.842 -1.285 9.473 1.00 0.30 H new ATOM 0 HG LEU A 100 6.000 1.351 10.412 1.00 0.33 H new ATOM 0 HD11 LEU A 100 6.061 0.343 12.663 1.00 0.45 H new ATOM 0 HD12 LEU A 100 4.394 0.535 12.071 1.00 0.45 H new ATOM 0 HD13 LEU A 100 5.167 -1.068 12.049 1.00 0.45 H new ATOM 0 HD21 LEU A 100 7.906 -0.055 11.088 1.00 0.39 H new ATOM 0 HD22 LEU A 100 7.084 -1.484 10.417 1.00 0.39 H new ATOM 0 HD23 LEU A 100 7.593 -0.162 9.339 1.00 0.39 H new ATOM 1028 N LEU A 101 3.645 -1.350 6.996 1.00 0.30 N ATOM 1029 CA LEU A 101 2.446 -1.775 6.290 1.00 0.33 C ATOM 1030 C LEU A 101 1.724 -2.851 7.075 1.00 0.29 C ATOM 1031 O LEU A 101 2.275 -3.927 7.323 1.00 0.27 O ATOM 1032 CB LEU A 101 2.760 -2.301 4.888 1.00 0.43 C ATOM 1033 CG LEU A 101 3.372 -1.289 3.922 1.00 0.33 C ATOM 1034 CD1 LEU A 101 3.741 -1.971 2.617 1.00 0.71 C ATOM 1035 CD2 LEU A 101 2.411 -0.142 3.660 1.00 0.43 C ATOM 0 H LEU A 101 4.237 -2.111 7.328 1.00 0.30 H new ATOM 0 HA LEU A 101 1.809 -0.897 6.190 1.00 0.33 H new ATOM 0 HB2 LEU A 101 3.443 -3.145 4.981 1.00 0.43 H new ATOM 0 HB3 LEU A 101 1.839 -2.683 4.449 1.00 0.43 H new ATOM 0 HG LEU A 101 4.274 -0.881 4.378 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.177 -1.241 1.935 1.00 0.71 H new ATOM 0 HD12 LEU A 101 4.465 -2.762 2.812 1.00 0.71 H new ATOM 0 HD13 LEU A 101 2.847 -2.401 2.165 1.00 0.71 H new ATOM 0 HD21 LEU A 101 2.869 0.566 2.969 1.00 0.43 H new ATOM 0 HD22 LEU A 101 1.491 -0.531 3.224 1.00 0.43 H new ATOM 0 HD23 LEU A 101 2.183 0.363 4.599 1.00 0.43 H new ATOM 1047 N ASP A 102 0.499 -2.545 7.473 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.360 -3.511 8.144 1.00 0.35 C ATOM 1049 C ASP A 102 -1.008 -4.416 7.095 1.00 0.31 C ATOM 1050 O ASP A 102 -0.708 -4.297 5.907 1.00 0.28 O ATOM 1051 CB ASP A 102 -1.437 -2.800 8.975 1.00 0.49 C ATOM 1052 CG ASP A 102 -2.665 -2.415 8.167 1.00 0.75 C ATOM 1053 OD1 ASP A 102 -2.514 -1.783 7.109 1.00 1.42 O ATOM 1054 OD2 ASP A 102 -3.788 -2.765 8.593 1.00 1.01 O ATOM 0 H ASP A 102 0.074 -1.627 7.342 1.00 0.33 H new ATOM 0 HA ASP A 102 0.242 -4.113 8.825 1.00 0.35 H new ATOM 0 HB2 ASP A 102 -1.740 -3.450 9.796 1.00 0.49 H new ATOM 0 HB3 ASP A 102 -1.008 -1.902 9.421 1.00 0.49 H new ATOM 1059 N ASP A 103 -1.896 -5.310 7.517 1.00 0.36 N ATOM 1060 CA ASP A 103 -2.539 -6.234 6.580 1.00 0.37 C ATOM 1061 C ASP A 103 -3.358 -5.491 5.516 1.00 0.34 C ATOM 1062 O ASP A 103 -3.366 -5.883 4.343 1.00 0.36 O ATOM 1063 CB ASP A 103 -3.431 -7.213 7.348 1.00 0.49 C ATOM 1064 CG ASP A 103 -4.291 -8.077 6.444 1.00 0.72 C ATOM 1065 OD1 ASP A 103 -3.764 -9.055 5.875 1.00 1.73 O ATOM 1066 OD2 ASP A 103 -5.496 -7.791 6.292 1.00 0.92 O ATOM 0 H ASP A 103 -2.187 -5.417 8.489 1.00 0.36 H new ATOM 0 HA ASP A 103 -1.755 -6.785 6.061 1.00 0.37 H new ATOM 0 HB2 ASP A 103 -2.805 -7.857 7.966 1.00 0.49 H new ATOM 0 HB3 ASP A 103 -4.076 -6.652 8.024 1.00 0.49 H new ATOM 1071 N GLU A 104 -3.987 -4.378 5.902 1.00 0.33 N ATOM 1072 CA GLU A 104 -4.799 -3.606 4.963 1.00 0.37 C ATOM 1073 C GLU A 104 -3.916 -2.950 3.905 1.00 0.29 C ATOM 1074 O GLU A 104 -4.105 -3.156 2.703 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.620 -2.522 5.680 1.00 0.50 C ATOM 1076 CG GLU A 104 -6.693 -3.055 6.616 1.00 0.89 C ATOM 1077 CD GLU A 104 -7.561 -1.946 7.191 1.00 1.08 C ATOM 1078 OE1 GLU A 104 -7.127 -1.278 8.150 1.00 1.50 O ATOM 1079 OE2 GLU A 104 -8.690 -1.745 6.692 1.00 1.53 O ATOM 0 H GLU A 104 -3.950 -3.996 6.847 1.00 0.33 H new ATOM 0 HA GLU A 104 -5.488 -4.303 4.486 1.00 0.37 H new ATOM 0 HB2 GLU A 104 -4.941 -1.889 6.251 1.00 0.50 H new ATOM 0 HB3 GLU A 104 -6.093 -1.888 4.930 1.00 0.50 H new ATOM 0 HG2 GLU A 104 -7.322 -3.764 6.077 1.00 0.89 H new ATOM 0 HG3 GLU A 104 -6.221 -3.603 7.431 1.00 0.89 H new ATOM 1086 N GLU A 105 -2.939 -2.180 4.363 1.00 0.27 N ATOM 1087 CA GLU A 105 -2.104 -1.392 3.470 1.00 0.26 C ATOM 1088 C GLU A 105 -1.132 -2.255 2.671 1.00 0.22 C ATOM 1089 O GLU A 105 -0.817 -1.929 1.529 1.00 0.22 O ATOM 1090 CB GLU A 105 -1.359 -0.319 4.257 1.00 0.36 C ATOM 1091 CG GLU A 105 -2.295 0.493 5.128 1.00 0.75 C ATOM 1092 CD GLU A 105 -1.600 1.579 5.900 1.00 0.69 C ATOM 1093 OE1 GLU A 105 -0.828 1.279 6.827 1.00 0.76 O ATOM 1094 OE2 GLU A 105 -1.812 2.763 5.605 1.00 0.82 O ATOM 0 H GLU A 105 -2.705 -2.085 5.351 1.00 0.27 H new ATOM 0 HA GLU A 105 -2.762 -0.910 2.747 1.00 0.26 H new ATOM 0 HB2 GLU A 105 -0.598 -0.788 4.881 1.00 0.36 H new ATOM 0 HB3 GLU A 105 -0.840 0.344 3.565 1.00 0.36 H new ATOM 0 HG2 GLU A 105 -3.067 0.940 4.501 1.00 0.75 H new ATOM 0 HG3 GLU A 105 -2.799 -0.174 5.827 1.00 0.75 H new ATOM 1101 N PHE A 106 -0.665 -3.360 3.248 1.00 0.24 N ATOM 1102 CA PHE A 106 0.227 -4.248 2.512 1.00 0.26 C ATOM 1103 C PHE A 106 -0.541 -4.934 1.401 1.00 0.29 C ATOM 1104 O PHE A 106 -0.028 -5.100 0.292 1.00 0.31 O ATOM 1105 CB PHE A 106 0.888 -5.292 3.419 1.00 0.28 C ATOM 1106 CG PHE A 106 1.847 -6.200 2.686 1.00 0.26 C ATOM 1107 CD1 PHE A 106 2.956 -5.681 2.033 1.00 0.26 C ATOM 1108 CD2 PHE A 106 1.639 -7.570 2.649 1.00 0.35 C ATOM 1109 CE1 PHE A 106 3.835 -6.510 1.360 1.00 0.26 C ATOM 1110 CE2 PHE A 106 2.517 -8.403 1.977 1.00 0.37 C ATOM 1111 CZ PHE A 106 3.615 -7.872 1.332 1.00 0.28 C ATOM 0 H PHE A 106 -0.883 -3.656 4.199 1.00 0.24 H new ATOM 0 HA PHE A 106 1.026 -3.638 2.090 1.00 0.26 H new ATOM 0 HB2 PHE A 106 1.423 -4.781 4.220 1.00 0.28 H new ATOM 0 HB3 PHE A 106 0.113 -5.897 3.889 1.00 0.28 H new ATOM 0 HD1 PHE A 106 3.135 -4.616 2.051 1.00 0.26 H new ATOM 0 HD2 PHE A 106 0.781 -7.993 3.151 1.00 0.35 H new ATOM 0 HE1 PHE A 106 4.694 -6.091 0.856 1.00 0.26 H new ATOM 0 HE2 PHE A 106 2.342 -9.469 1.958 1.00 0.37 H new ATOM 0 HZ PHE A 106 4.300 -8.521 0.807 1.00 0.28 H new ATOM 1121 N ALA A 107 -1.781 -5.313 1.687 1.00 0.35 N ATOM 1122 CA ALA A 107 -2.622 -5.901 0.665 1.00 0.41 C ATOM 1123 C ALA A 107 -2.863 -4.898 -0.454 1.00 0.38 C ATOM 1124 O ALA A 107 -2.838 -5.250 -1.631 1.00 0.40 O ATOM 1125 CB ALA A 107 -3.938 -6.374 1.258 1.00 0.50 C ATOM 0 H ALA A 107 -2.217 -5.224 2.605 1.00 0.35 H new ATOM 0 HA ALA A 107 -2.110 -6.769 0.249 1.00 0.41 H new ATOM 0 HB1 ALA A 107 -4.554 -6.812 0.473 1.00 0.50 H new ATOM 0 HB2 ALA A 107 -3.743 -7.122 2.026 1.00 0.50 H new ATOM 0 HB3 ALA A 107 -4.463 -5.527 1.701 1.00 0.50 H new ATOM 1131 N LEU A 108 -3.073 -3.642 -0.087 1.00 0.34 N ATOM 1132 CA LEU A 108 -3.243 -2.590 -1.075 1.00 0.34 C ATOM 1133 C LEU A 108 -1.961 -2.376 -1.874 1.00 0.27 C ATOM 1134 O LEU A 108 -2.012 -2.126 -3.081 1.00 0.27 O ATOM 1135 CB LEU A 108 -3.697 -1.297 -0.403 1.00 0.40 C ATOM 1136 CG LEU A 108 -5.212 -1.161 -0.270 1.00 0.61 C ATOM 1137 CD1 LEU A 108 -5.572 -0.082 0.729 1.00 1.23 C ATOM 1138 CD2 LEU A 108 -5.818 -0.844 -1.627 1.00 1.32 C ATOM 0 H LEU A 108 -3.129 -3.329 0.882 1.00 0.34 H new ATOM 0 HA LEU A 108 -4.018 -2.900 -1.776 1.00 0.34 H new ATOM 0 HB2 LEU A 108 -3.250 -1.240 0.589 1.00 0.40 H new ATOM 0 HB3 LEU A 108 -3.316 -0.450 -0.974 1.00 0.40 H new ATOM 0 HG LEU A 108 -5.616 -2.106 0.094 1.00 0.61 H new ATOM 0 HD11 LEU A 108 -6.657 -0.004 0.806 1.00 1.23 H new ATOM 0 HD12 LEU A 108 -5.156 -0.336 1.704 1.00 1.23 H new ATOM 0 HD13 LEU A 108 -5.163 0.872 0.397 1.00 1.23 H new ATOM 0 HD21 LEU A 108 -6.899 -0.748 -1.529 1.00 1.32 H new ATOM 0 HD22 LEU A 108 -5.403 0.092 -2.001 1.00 1.32 H new ATOM 0 HD23 LEU A 108 -5.587 -1.648 -2.325 1.00 1.32 H new ATOM 1150 N ALA A 109 -0.818 -2.503 -1.207 1.00 0.23 N ATOM 1151 CA ALA A 109 0.475 -2.436 -1.881 1.00 0.24 C ATOM 1152 C ALA A 109 0.567 -3.508 -2.952 1.00 0.26 C ATOM 1153 O ALA A 109 0.852 -3.216 -4.113 1.00 0.26 O ATOM 1154 CB ALA A 109 1.616 -2.592 -0.882 1.00 0.26 C ATOM 0 H ALA A 109 -0.760 -2.653 -0.200 1.00 0.23 H new ATOM 0 HA ALA A 109 0.563 -1.457 -2.352 1.00 0.24 H new ATOM 0 HB1 ALA A 109 2.569 -2.539 -1.407 1.00 0.26 H new ATOM 0 HB2 ALA A 109 1.564 -1.793 -0.143 1.00 0.26 H new ATOM 0 HB3 ALA A 109 1.531 -3.556 -0.381 1.00 0.26 H new ATOM 1160 N ASN A 110 0.287 -4.749 -2.562 1.00 0.31 N ATOM 1161 CA ASN A 110 0.341 -5.869 -3.491 1.00 0.37 C ATOM 1162 C ASN A 110 -0.697 -5.703 -4.592 1.00 0.35 C ATOM 1163 O ASN A 110 -0.446 -6.046 -5.745 1.00 0.38 O ATOM 1164 CB ASN A 110 0.109 -7.198 -2.765 1.00 0.45 C ATOM 1165 CG ASN A 110 1.238 -7.573 -1.825 1.00 0.52 C ATOM 1166 OD1 ASN A 110 1.022 -8.241 -0.818 1.00 1.36 O ATOM 1167 ND2 ASN A 110 2.452 -7.154 -2.148 1.00 0.83 N ATOM 0 H ASN A 110 0.021 -5.002 -1.610 1.00 0.31 H new ATOM 0 HA ASN A 110 1.336 -5.881 -3.935 1.00 0.37 H new ATOM 0 HB2 ASN A 110 -0.821 -7.137 -2.199 1.00 0.45 H new ATOM 0 HB3 ASN A 110 -0.018 -7.990 -3.503 1.00 0.45 H new ATOM 0 HD21 ASN A 110 3.247 -7.385 -1.552 1.00 0.83 H new ATOM 0 HD22 ASN A 110 2.592 -6.601 -2.993 1.00 0.83 H new ATOM 1174 N HIS A 111 -1.857 -5.161 -4.231 1.00 0.35 N ATOM 1175 CA HIS A 111 -2.929 -4.936 -5.193 1.00 0.37 C ATOM 1176 C HIS A 111 -2.505 -3.931 -6.259 1.00 0.31 C ATOM 1177 O HIS A 111 -2.722 -4.160 -7.442 1.00 0.36 O ATOM 1178 CB HIS A 111 -4.201 -4.448 -4.497 1.00 0.48 C ATOM 1179 CG HIS A 111 -5.372 -4.346 -5.424 1.00 0.53 C ATOM 1180 ND1 HIS A 111 -6.080 -5.443 -5.866 1.00 0.60 N ATOM 1181 CD2 HIS A 111 -5.931 -3.270 -6.029 1.00 0.57 C ATOM 1182 CE1 HIS A 111 -7.014 -5.047 -6.709 1.00 0.67 C ATOM 1183 NE2 HIS A 111 -6.948 -3.734 -6.826 1.00 0.66 N ATOM 0 H HIS A 111 -2.078 -4.870 -3.279 1.00 0.35 H new ATOM 0 HA HIS A 111 -3.140 -5.891 -5.675 1.00 0.37 H new ATOM 0 HB2 HIS A 111 -4.447 -5.129 -3.683 1.00 0.48 H new ATOM 0 HB3 HIS A 111 -4.012 -3.472 -4.050 1.00 0.48 H new ATOM 0 HD1 HIS A 111 -5.909 -6.409 -5.585 1.00 0.60 H new ATOM 0 HD2 HIS A 111 -5.632 -2.239 -5.907 1.00 0.57 H new ATOM 0 HE1 HIS A 111 -7.716 -5.690 -7.219 1.00 0.67 H new ATOM 1192 N LEU A 112 -1.903 -2.823 -5.835 1.00 0.25 N ATOM 1193 CA LEU A 112 -1.447 -1.793 -6.770 1.00 0.24 C ATOM 1194 C LEU A 112 -0.361 -2.340 -7.687 1.00 0.25 C ATOM 1195 O LEU A 112 -0.350 -2.065 -8.891 1.00 0.29 O ATOM 1196 CB LEU A 112 -0.933 -0.563 -6.015 1.00 0.25 C ATOM 1197 CG LEU A 112 -1.989 0.193 -5.207 1.00 0.33 C ATOM 1198 CD1 LEU A 112 -1.344 1.303 -4.400 1.00 0.89 C ATOM 1199 CD2 LEU A 112 -3.062 0.758 -6.126 1.00 0.57 C ATOM 0 H LEU A 112 -1.719 -2.614 -4.854 1.00 0.25 H new ATOM 0 HA LEU A 112 -2.298 -1.493 -7.381 1.00 0.24 H new ATOM 0 HB2 LEU A 112 -0.138 -0.877 -5.339 1.00 0.25 H new ATOM 0 HB3 LEU A 112 -0.487 0.125 -6.734 1.00 0.25 H new ATOM 0 HG LEU A 112 -2.461 -0.507 -4.517 1.00 0.33 H new ATOM 0 HD11 LEU A 112 -2.109 1.831 -3.831 1.00 0.89 H new ATOM 0 HD12 LEU A 112 -0.612 0.876 -3.715 1.00 0.89 H new ATOM 0 HD13 LEU A 112 -0.847 2.001 -5.074 1.00 0.89 H new ATOM 0 HD21 LEU A 112 -3.804 1.292 -5.533 1.00 0.57 H new ATOM 0 HD22 LEU A 112 -2.606 1.444 -6.840 1.00 0.57 H new ATOM 0 HD23 LEU A 112 -3.546 -0.057 -6.664 1.00 0.57 H new ATOM 1211 N ILE A 113 0.544 -3.125 -7.112 1.00 0.27 N ATOM 1212 CA ILE A 113 1.572 -3.799 -7.892 1.00 0.34 C ATOM 1213 C ILE A 113 0.926 -4.717 -8.922 1.00 0.37 C ATOM 1214 O ILE A 113 1.317 -4.734 -10.090 1.00 0.43 O ATOM 1215 CB ILE A 113 2.521 -4.618 -6.987 1.00 0.38 C ATOM 1216 CG1 ILE A 113 3.224 -3.689 -5.994 1.00 0.35 C ATOM 1217 CG2 ILE A 113 3.538 -5.383 -7.824 1.00 0.46 C ATOM 1218 CD1 ILE A 113 4.135 -4.398 -5.016 1.00 0.38 C ATOM 0 H ILE A 113 0.585 -3.309 -6.110 1.00 0.27 H new ATOM 0 HA ILE A 113 2.161 -3.035 -8.400 1.00 0.34 H new ATOM 0 HB ILE A 113 1.932 -5.346 -6.429 1.00 0.38 H new ATOM 0 HG12 ILE A 113 3.808 -2.956 -6.551 1.00 0.35 H new ATOM 0 HG13 ILE A 113 2.469 -3.136 -5.434 1.00 0.35 H new ATOM 0 HG21 ILE A 113 4.195 -5.952 -7.167 1.00 0.46 H new ATOM 0 HG22 ILE A 113 3.017 -6.065 -8.496 1.00 0.46 H new ATOM 0 HG23 ILE A 113 4.130 -4.680 -8.409 1.00 0.46 H new ATOM 0 HD11 ILE A 113 4.593 -3.667 -4.349 1.00 0.38 H new ATOM 0 HD12 ILE A 113 3.555 -5.111 -4.430 1.00 0.38 H new ATOM 0 HD13 ILE A 113 4.915 -4.928 -5.563 1.00 0.38 H new ATOM 1230 N LYS A 114 -0.087 -5.455 -8.484 1.00 0.36 N ATOM 1231 CA LYS A 114 -0.835 -6.332 -9.369 1.00 0.42 C ATOM 1232 C LYS A 114 -1.497 -5.545 -10.495 1.00 0.36 C ATOM 1233 O LYS A 114 -1.472 -5.972 -11.643 1.00 0.39 O ATOM 1234 CB LYS A 114 -1.883 -7.123 -8.581 1.00 0.52 C ATOM 1235 CG LYS A 114 -2.824 -7.938 -9.457 1.00 0.64 C ATOM 1236 CD LYS A 114 -3.665 -8.899 -8.632 1.00 0.93 C ATOM 1237 CE LYS A 114 -2.822 -10.026 -8.053 1.00 1.55 C ATOM 1238 NZ LYS A 114 -2.318 -10.943 -9.108 1.00 2.07 N ATOM 0 H LYS A 114 -0.409 -5.461 -7.516 1.00 0.36 H new ATOM 0 HA LYS A 114 -0.132 -7.034 -9.817 1.00 0.42 H new ATOM 0 HB2 LYS A 114 -1.374 -7.794 -7.889 1.00 0.52 H new ATOM 0 HB3 LYS A 114 -2.471 -6.430 -7.979 1.00 0.52 H new ATOM 0 HG2 LYS A 114 -3.478 -7.266 -10.013 1.00 0.64 H new ATOM 0 HG3 LYS A 114 -2.245 -8.498 -10.191 1.00 0.64 H new ATOM 0 HD2 LYS A 114 -4.151 -8.355 -7.822 1.00 0.93 H new ATOM 0 HD3 LYS A 114 -4.456 -9.318 -9.254 1.00 0.93 H new ATOM 0 HE2 LYS A 114 -1.979 -9.604 -7.506 1.00 1.55 H new ATOM 0 HE3 LYS A 114 -3.416 -10.591 -7.335 1.00 1.55 H new ATOM 0 HZ1 LYS A 114 -1.957 -11.813 -8.668 1.00 2.07 H new ATOM 0 HZ2 LYS A 114 -3.092 -11.180 -9.761 1.00 2.07 H new ATOM 0 HZ3 LYS A 114 -1.551 -10.478 -9.635 1.00 2.07 H new ATOM 1252 N VAL A 115 -2.071 -4.389 -10.170 1.00 0.33 N ATOM 1253 CA VAL A 115 -2.713 -3.549 -11.180 1.00 0.37 C ATOM 1254 C VAL A 115 -1.713 -3.172 -12.271 1.00 0.40 C ATOM 1255 O VAL A 115 -2.014 -3.263 -13.461 1.00 0.43 O ATOM 1256 CB VAL A 115 -3.314 -2.260 -10.573 1.00 0.41 C ATOM 1257 CG1 VAL A 115 -3.992 -1.424 -11.642 1.00 0.50 C ATOM 1258 CG2 VAL A 115 -4.304 -2.587 -9.471 1.00 0.46 C ATOM 0 H VAL A 115 -2.105 -4.014 -9.222 1.00 0.33 H new ATOM 0 HA VAL A 115 -3.528 -4.134 -11.606 1.00 0.37 H new ATOM 0 HB VAL A 115 -2.493 -1.685 -10.145 1.00 0.41 H new ATOM 0 HG11 VAL A 115 -4.407 -0.523 -11.190 1.00 0.50 H new ATOM 0 HG12 VAL A 115 -3.263 -1.146 -12.403 1.00 0.50 H new ATOM 0 HG13 VAL A 115 -4.794 -2.002 -12.102 1.00 0.50 H new ATOM 0 HG21 VAL A 115 -4.711 -1.663 -9.062 1.00 0.46 H new ATOM 0 HG22 VAL A 115 -5.114 -3.192 -9.878 1.00 0.46 H new ATOM 0 HG23 VAL A 115 -3.799 -3.142 -8.681 1.00 0.46 H new ATOM 1268 N LYS A 116 -0.522 -2.751 -11.862 1.00 0.44 N ATOM 1269 CA LYS A 116 0.540 -2.460 -12.808 1.00 0.54 C ATOM 1270 C LYS A 116 0.952 -3.697 -13.606 1.00 0.59 C ATOM 1271 O LYS A 116 1.158 -3.610 -14.816 1.00 0.72 O ATOM 1272 CB LYS A 116 1.740 -1.871 -12.083 1.00 0.60 C ATOM 1273 CG LYS A 116 1.435 -0.531 -11.450 1.00 0.93 C ATOM 1274 CD LYS A 116 2.673 0.327 -11.371 1.00 1.13 C ATOM 1275 CE LYS A 116 3.235 0.570 -12.760 1.00 0.85 C ATOM 1276 NZ LYS A 116 2.255 1.250 -13.649 1.00 1.25 N ATOM 0 H LYS A 116 -0.271 -2.605 -10.884 1.00 0.44 H new ATOM 0 HA LYS A 116 0.156 -1.729 -13.520 1.00 0.54 H new ATOM 0 HB2 LYS A 116 2.072 -2.566 -11.312 1.00 0.60 H new ATOM 0 HB3 LYS A 116 2.565 -1.758 -12.786 1.00 0.60 H new ATOM 0 HG2 LYS A 116 0.669 -0.017 -12.031 1.00 0.93 H new ATOM 0 HG3 LYS A 116 1.029 -0.682 -10.450 1.00 0.93 H new ATOM 0 HD2 LYS A 116 2.434 1.279 -10.896 1.00 1.13 H new ATOM 0 HD3 LYS A 116 3.423 -0.161 -10.748 1.00 1.13 H new ATOM 0 HE2 LYS A 116 4.137 1.177 -12.684 1.00 0.85 H new ATOM 0 HE3 LYS A 116 3.527 -0.382 -13.204 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 2.764 1.780 -14.385 1.00 1.25 H new ATOM 0 HZ2 LYS A 116 1.640 0.540 -14.095 1.00 1.25 H new ATOM 0 HZ3 LYS A 116 1.675 1.907 -13.088 1.00 1.25 H new ATOM 1290 N LEU A 117 1.062 -4.842 -12.937 1.00 0.52 N ATOM 1291 CA LEU A 117 1.413 -6.092 -13.614 1.00 0.60 C ATOM 1292 C LEU A 117 0.321 -6.495 -14.607 1.00 0.54 C ATOM 1293 O LEU A 117 0.586 -7.148 -15.614 1.00 0.63 O ATOM 1294 CB LEU A 117 1.633 -7.215 -12.595 1.00 0.66 C ATOM 1295 CG LEU A 117 2.789 -6.997 -11.613 1.00 0.79 C ATOM 1296 CD1 LEU A 117 2.876 -8.154 -10.628 1.00 0.91 C ATOM 1297 CD2 LEU A 117 4.104 -6.837 -12.359 1.00 0.94 C ATOM 0 H LEU A 117 0.914 -4.932 -11.932 1.00 0.52 H new ATOM 0 HA LEU A 117 2.341 -5.929 -14.162 1.00 0.60 H new ATOM 0 HB2 LEU A 117 0.714 -7.349 -12.024 1.00 0.66 H new ATOM 0 HB3 LEU A 117 1.810 -8.144 -13.137 1.00 0.66 H new ATOM 0 HG LEU A 117 2.596 -6.080 -11.056 1.00 0.79 H new ATOM 0 HD11 LEU A 117 3.702 -7.983 -9.938 1.00 0.91 H new ATOM 0 HD12 LEU A 117 1.944 -8.225 -10.067 1.00 0.91 H new ATOM 0 HD13 LEU A 117 3.044 -9.083 -11.172 1.00 0.91 H new ATOM 0 HD21 LEU A 117 4.912 -6.683 -11.644 1.00 0.94 H new ATOM 0 HD22 LEU A 117 4.303 -7.736 -12.943 1.00 0.94 H new ATOM 0 HD23 LEU A 117 4.042 -5.977 -13.026 1.00 0.94 H new ATOM 1309 N GLU A 118 -0.907 -6.087 -14.308 1.00 0.44 N ATOM 1310 CA GLU A 118 -2.047 -6.325 -15.184 1.00 0.46 C ATOM 1311 C GLU A 118 -1.998 -5.431 -16.420 1.00 0.49 C ATOM 1312 O GLU A 118 -2.858 -5.521 -17.299 1.00 0.54 O ATOM 1313 CB GLU A 118 -3.353 -6.077 -14.424 1.00 0.51 C ATOM 1314 CG GLU A 118 -3.687 -7.142 -13.395 1.00 0.63 C ATOM 1315 CD GLU A 118 -3.991 -8.478 -14.030 1.00 0.90 C ATOM 1316 OE1 GLU A 118 -4.999 -8.583 -14.762 1.00 1.17 O ATOM 1317 OE2 GLU A 118 -3.218 -9.432 -13.799 1.00 1.65 O ATOM 0 H GLU A 118 -1.140 -5.583 -13.453 1.00 0.44 H new ATOM 0 HA GLU A 118 -2.003 -7.364 -15.512 1.00 0.46 H new ATOM 0 HB2 GLU A 118 -3.291 -5.111 -13.923 1.00 0.51 H new ATOM 0 HB3 GLU A 118 -4.171 -6.012 -15.142 1.00 0.51 H new ATOM 0 HG2 GLU A 118 -2.850 -7.252 -12.705 1.00 0.63 H new ATOM 0 HG3 GLU A 118 -4.545 -6.818 -12.806 1.00 0.63 H new ATOM 1324 N GLY A 119 -1.001 -4.565 -16.486 1.00 0.55 N ATOM 1325 CA GLY A 119 -0.874 -3.671 -17.617 1.00 0.66 C ATOM 1326 C GLY A 119 -1.594 -2.369 -17.393 1.00 0.63 C ATOM 1327 O GLY A 119 -2.117 -1.770 -18.330 1.00 0.80 O ATOM 0 H GLY A 119 -0.276 -4.464 -15.776 1.00 0.55 H new ATOM 0 HA2 GLY A 119 0.181 -3.473 -17.806 1.00 0.66 H new ATOM 0 HA3 GLY A 119 -1.272 -4.156 -18.508 1.00 0.66 H new ATOM 1331 N HIS A 120 -1.637 -1.931 -16.154 1.00 0.58 N ATOM 1332 CA HIS A 120 -2.365 -0.726 -15.820 1.00 0.62 C ATOM 1333 C HIS A 120 -1.523 0.214 -14.973 1.00 0.57 C ATOM 1334 O HIS A 120 -0.370 -0.078 -14.641 1.00 0.57 O ATOM 1335 CB HIS A 120 -3.657 -1.065 -15.077 1.00 0.66 C ATOM 1336 CG HIS A 120 -4.663 -1.822 -15.883 1.00 0.71 C ATOM 1337 ND1 HIS A 120 -5.556 -1.208 -16.726 1.00 0.94 N ATOM 1338 CD2 HIS A 120 -4.928 -3.144 -15.954 1.00 0.78 C ATOM 1339 CE1 HIS A 120 -6.333 -2.116 -17.279 1.00 1.06 C ATOM 1340 NE2 HIS A 120 -5.973 -3.306 -16.831 1.00 0.95 N ATOM 0 H HIS A 120 -1.180 -2.388 -15.365 1.00 0.58 H new ATOM 0 HA HIS A 120 -2.609 -0.224 -16.756 1.00 0.62 H new ATOM 0 HB2 HIS A 120 -3.408 -1.649 -14.191 1.00 0.66 H new ATOM 0 HB3 HIS A 120 -4.114 -0.138 -14.729 1.00 0.66 H new ATOM 0 HD2 HIS A 120 -4.413 -3.929 -15.420 1.00 0.78 H new ATOM 0 HE1 HIS A 120 -7.130 -1.921 -17.981 1.00 1.06 H new ATOM 0 HE2 HIS A 120 -6.399 -4.195 -17.092 1.00 0.95 H new ATOM 1349 N GLU A 121 -2.117 1.344 -14.630 1.00 0.64 N ATOM 1350 CA GLU A 121 -1.481 2.338 -13.783 1.00 0.69 C ATOM 1351 C GLU A 121 -2.398 2.668 -12.615 1.00 0.65 C ATOM 1352 O GLU A 121 -3.623 2.582 -12.738 1.00 0.72 O ATOM 1353 CB GLU A 121 -1.182 3.613 -14.582 1.00 0.89 C ATOM 1354 CG GLU A 121 0.300 3.927 -14.714 1.00 1.75 C ATOM 1355 CD GLU A 121 0.951 4.253 -13.384 1.00 2.84 C ATOM 1356 OE1 GLU A 121 1.126 3.333 -12.560 1.00 3.60 O ATOM 1357 OE2 GLU A 121 1.268 5.439 -13.151 1.00 3.29 O ATOM 0 H GLU A 121 -3.057 1.599 -14.932 1.00 0.64 H new ATOM 0 HA GLU A 121 -0.540 1.933 -13.409 1.00 0.69 H new ATOM 0 HB2 GLU A 121 -1.612 3.514 -15.579 1.00 0.89 H new ATOM 0 HB3 GLU A 121 -1.680 4.455 -14.102 1.00 0.89 H new ATOM 0 HG2 GLU A 121 0.809 3.074 -15.163 1.00 1.75 H new ATOM 0 HG3 GLU A 121 0.429 4.770 -15.393 1.00 1.75 H new ATOM 1364 N LEU A 122 -1.816 3.026 -11.484 1.00 0.71 N ATOM 1365 CA LEU A 122 -2.604 3.455 -10.342 1.00 0.72 C ATOM 1366 C LEU A 122 -3.027 4.911 -10.532 1.00 0.76 C ATOM 1367 O LEU A 122 -2.283 5.712 -11.098 1.00 0.88 O ATOM 1368 CB LEU A 122 -1.837 3.253 -9.022 1.00 0.80 C ATOM 1369 CG LEU A 122 -0.321 3.044 -9.142 1.00 0.79 C ATOM 1370 CD1 LEU A 122 0.380 4.299 -9.628 1.00 1.51 C ATOM 1371 CD2 LEU A 122 0.258 2.611 -7.808 1.00 0.97 C ATOM 0 H LEU A 122 -0.807 3.028 -11.332 1.00 0.71 H new ATOM 0 HA LEU A 122 -3.500 2.838 -10.279 1.00 0.72 H new ATOM 0 HB2 LEU A 122 -2.014 4.121 -8.387 1.00 0.80 H new ATOM 0 HB3 LEU A 122 -2.262 2.391 -8.508 1.00 0.80 H new ATOM 0 HG LEU A 122 -0.154 2.259 -9.880 1.00 0.79 H new ATOM 0 HD11 LEU A 122 1.451 4.112 -9.700 1.00 1.51 H new ATOM 0 HD12 LEU A 122 -0.007 4.575 -10.609 1.00 1.51 H new ATOM 0 HD13 LEU A 122 0.200 5.112 -8.924 1.00 1.51 H new ATOM 0 HD21 LEU A 122 1.334 2.466 -7.908 1.00 0.97 H new ATOM 0 HD22 LEU A 122 0.063 3.380 -7.060 1.00 0.97 H new ATOM 0 HD23 LEU A 122 -0.206 1.675 -7.496 1.00 0.97 H new ATOM 1383 N PRO A 123 -4.238 5.270 -10.077 1.00 0.79 N ATOM 1384 CA PRO A 123 -4.823 6.596 -10.319 1.00 0.89 C ATOM 1385 C PRO A 123 -4.081 7.725 -9.602 1.00 0.80 C ATOM 1386 O PRO A 123 -4.403 8.896 -9.791 1.00 0.89 O ATOM 1387 CB PRO A 123 -6.249 6.484 -9.764 1.00 1.01 C ATOM 1388 CG PRO A 123 -6.487 5.031 -9.538 1.00 0.93 C ATOM 1389 CD PRO A 123 -5.142 4.412 -9.298 1.00 0.83 C ATOM 0 HA PRO A 123 -4.774 6.849 -11.378 1.00 0.89 H new ATOM 0 HB2 PRO A 123 -6.352 7.046 -8.835 1.00 1.01 H new ATOM 0 HB3 PRO A 123 -6.975 6.894 -10.466 1.00 1.01 H new ATOM 0 HG2 PRO A 123 -7.145 4.874 -8.683 1.00 0.93 H new ATOM 0 HG3 PRO A 123 -6.974 4.579 -10.402 1.00 0.93 H new ATOM 0 HD2 PRO A 123 -4.883 4.409 -8.239 1.00 0.83 H new ATOM 0 HD3 PRO A 123 -5.108 3.377 -9.638 1.00 0.83 H new ATOM 1397 N ALA A 124 -3.103 7.359 -8.773 1.00 0.67 N ATOM 1398 CA ALA A 124 -2.359 8.314 -7.947 1.00 0.67 C ATOM 1399 C ALA A 124 -3.293 9.013 -6.960 1.00 0.62 C ATOM 1400 O ALA A 124 -2.953 10.042 -6.376 1.00 0.71 O ATOM 1401 CB ALA A 124 -1.615 9.334 -8.811 1.00 0.87 C ATOM 0 H ALA A 124 -2.803 6.391 -8.654 1.00 0.67 H new ATOM 0 HA ALA A 124 -1.614 7.757 -7.379 1.00 0.67 H new ATOM 0 HB1 ALA A 124 -1.073 10.028 -8.169 1.00 0.87 H new ATOM 0 HB2 ALA A 124 -0.910 8.815 -9.461 1.00 0.87 H new ATOM 0 HB3 ALA A 124 -2.331 9.886 -9.420 1.00 0.87 H new ATOM 1407 N ASP A 125 -4.456 8.409 -6.758 1.00 0.57 N ATOM 1408 CA ASP A 125 -5.444 8.904 -5.816 1.00 0.57 C ATOM 1409 C ASP A 125 -5.978 7.752 -4.992 1.00 0.50 C ATOM 1410 O ASP A 125 -5.907 6.597 -5.416 1.00 0.56 O ATOM 1411 CB ASP A 125 -6.615 9.589 -6.524 1.00 0.68 C ATOM 1412 CG ASP A 125 -6.314 11.014 -6.939 1.00 1.13 C ATOM 1413 OD1 ASP A 125 -6.001 11.840 -6.052 1.00 1.35 O ATOM 1414 OD2 ASP A 125 -6.352 11.306 -8.153 1.00 1.94 O ATOM 0 H ASP A 125 -4.739 7.559 -7.246 1.00 0.57 H new ATOM 0 HA ASP A 125 -4.952 9.639 -5.179 1.00 0.57 H new ATOM 0 HB2 ASP A 125 -6.885 9.010 -7.407 1.00 0.68 H new ATOM 0 HB3 ASP A 125 -7.482 9.586 -5.863 1.00 0.68 H new ATOM 1419 N LEU A 126 -6.493 8.060 -3.819 1.00 0.45 N ATOM 1420 CA LEU A 126 -7.163 7.068 -2.997 1.00 0.48 C ATOM 1421 C LEU A 126 -8.675 7.291 -3.005 1.00 0.51 C ATOM 1422 O LEU A 126 -9.192 8.110 -2.249 1.00 0.56 O ATOM 1423 CB LEU A 126 -6.624 7.135 -1.571 1.00 0.54 C ATOM 1424 CG LEU A 126 -5.152 6.757 -1.424 1.00 0.54 C ATOM 1425 CD1 LEU A 126 -4.661 7.071 -0.020 1.00 0.67 C ATOM 1426 CD2 LEU A 126 -4.959 5.285 -1.744 1.00 0.56 C ATOM 0 H LEU A 126 -6.461 8.994 -3.410 1.00 0.45 H new ATOM 0 HA LEU A 126 -6.965 6.078 -3.409 1.00 0.48 H new ATOM 0 HB2 LEU A 126 -6.764 8.147 -1.192 1.00 0.54 H new ATOM 0 HB3 LEU A 126 -7.219 6.474 -0.941 1.00 0.54 H new ATOM 0 HG LEU A 126 -4.565 7.346 -2.129 1.00 0.54 H new ATOM 0 HD11 LEU A 126 -3.610 6.796 0.068 1.00 0.67 H new ATOM 0 HD12 LEU A 126 -4.774 8.137 0.175 1.00 0.67 H new ATOM 0 HD13 LEU A 126 -5.246 6.505 0.705 1.00 0.67 H new ATOM 0 HD21 LEU A 126 -3.906 5.024 -1.637 1.00 0.56 H new ATOM 0 HD22 LEU A 126 -5.554 4.682 -1.058 1.00 0.56 H new ATOM 0 HD23 LEU A 126 -5.278 5.090 -2.768 1.00 0.56 H new ATOM 1438 N PRO A 127 -9.398 6.605 -3.902 1.00 0.55 N ATOM 1439 CA PRO A 127 -10.857 6.674 -3.949 1.00 0.61 C ATOM 1440 C PRO A 127 -11.509 5.816 -2.862 1.00 0.50 C ATOM 1441 O PRO A 127 -10.879 4.903 -2.325 1.00 0.46 O ATOM 1442 CB PRO A 127 -11.184 6.126 -5.338 1.00 0.75 C ATOM 1443 CG PRO A 127 -10.070 5.196 -5.656 1.00 0.72 C ATOM 1444 CD PRO A 127 -8.851 5.731 -4.956 1.00 0.63 C ATOM 0 HA PRO A 127 -11.231 7.683 -3.775 1.00 0.61 H new ATOM 0 HB2 PRO A 127 -12.143 5.609 -5.342 1.00 0.75 H new ATOM 0 HB3 PRO A 127 -11.251 6.928 -6.073 1.00 0.75 H new ATOM 0 HG2 PRO A 127 -10.300 4.186 -5.317 1.00 0.72 H new ATOM 0 HG3 PRO A 127 -9.906 5.141 -6.732 1.00 0.72 H new ATOM 0 HD2 PRO A 127 -8.248 4.927 -4.534 1.00 0.63 H new ATOM 0 HD3 PRO A 127 -8.209 6.285 -5.641 1.00 0.63 H new ATOM 1452 N PRO A 128 -12.783 6.099 -2.533 1.00 0.52 N ATOM 1453 CA PRO A 128 -13.534 5.370 -1.499 1.00 0.52 C ATOM 1454 C PRO A 128 -13.510 3.853 -1.674 1.00 0.50 C ATOM 1455 O PRO A 128 -13.628 3.117 -0.700 1.00 0.58 O ATOM 1456 CB PRO A 128 -14.960 5.889 -1.667 1.00 0.66 C ATOM 1457 CG PRO A 128 -14.789 7.258 -2.219 1.00 0.71 C ATOM 1458 CD PRO A 128 -13.591 7.183 -3.124 1.00 0.63 C ATOM 0 HA PRO A 128 -13.100 5.538 -0.513 1.00 0.52 H new ATOM 0 HB2 PRO A 128 -15.537 5.257 -2.342 1.00 0.66 H new ATOM 0 HB3 PRO A 128 -15.492 5.907 -0.716 1.00 0.66 H new ATOM 0 HG2 PRO A 128 -15.676 7.573 -2.769 1.00 0.71 H new ATOM 0 HG3 PRO A 128 -14.633 7.985 -1.422 1.00 0.71 H new ATOM 0 HD2 PRO A 128 -13.877 6.957 -4.151 1.00 0.63 H new ATOM 0 HD3 PRO A 128 -13.044 8.126 -3.146 1.00 0.63 H new ATOM 1466 N HIS A 129 -13.357 3.383 -2.908 1.00 0.50 N ATOM 1467 CA HIS A 129 -13.381 1.943 -3.166 1.00 0.59 C ATOM 1468 C HIS A 129 -11.989 1.318 -3.030 1.00 0.60 C ATOM 1469 O HIS A 129 -11.789 0.155 -3.372 1.00 0.74 O ATOM 1470 CB HIS A 129 -13.991 1.630 -4.550 1.00 0.71 C ATOM 1471 CG HIS A 129 -13.137 2.007 -5.730 1.00 0.74 C ATOM 1472 ND1 HIS A 129 -13.279 3.194 -6.416 1.00 0.79 N ATOM 1473 CD2 HIS A 129 -12.144 1.331 -6.360 1.00 0.86 C ATOM 1474 CE1 HIS A 129 -12.414 3.232 -7.415 1.00 0.91 C ATOM 1475 NE2 HIS A 129 -11.716 2.115 -7.401 1.00 0.94 N ATOM 0 H HIS A 129 -13.217 3.965 -3.734 1.00 0.50 H new ATOM 0 HA HIS A 129 -14.020 1.493 -2.406 1.00 0.59 H new ATOM 0 HB2 HIS A 129 -14.203 0.562 -4.602 1.00 0.71 H new ATOM 0 HB3 HIS A 129 -14.946 2.149 -4.633 1.00 0.71 H new ATOM 0 HD2 HIS A 129 -11.762 0.357 -6.092 1.00 0.86 H new ATOM 0 HE1 HIS A 129 -12.299 4.041 -8.122 1.00 0.91 H new ATOM 0 HE2 HIS A 129 -10.976 1.872 -8.059 1.00 0.94 H new ATOM 1484 N LEU A 130 -11.029 2.089 -2.532 1.00 0.50 N ATOM 1485 CA LEU A 130 -9.679 1.577 -2.304 1.00 0.56 C ATOM 1486 C LEU A 130 -9.217 1.868 -0.882 1.00 0.56 C ATOM 1487 O LEU A 130 -8.474 1.085 -0.295 1.00 0.64 O ATOM 1488 CB LEU A 130 -8.687 2.168 -3.310 1.00 0.60 C ATOM 1489 CG LEU A 130 -8.834 1.660 -4.749 1.00 0.71 C ATOM 1490 CD1 LEU A 130 -7.781 2.293 -5.650 1.00 0.79 C ATOM 1491 CD2 LEU A 130 -8.723 0.142 -4.797 1.00 0.83 C ATOM 0 H LEU A 130 -11.158 3.069 -2.278 1.00 0.50 H new ATOM 0 HA LEU A 130 -9.711 0.497 -2.445 1.00 0.56 H new ATOM 0 HB2 LEU A 130 -8.799 3.252 -3.312 1.00 0.60 H new ATOM 0 HB3 LEU A 130 -7.675 1.952 -2.967 1.00 0.60 H new ATOM 0 HG LEU A 130 -9.821 1.947 -5.111 1.00 0.71 H new ATOM 0 HD11 LEU A 130 -7.901 1.920 -6.667 1.00 0.79 H new ATOM 0 HD12 LEU A 130 -7.901 3.376 -5.644 1.00 0.79 H new ATOM 0 HD13 LEU A 130 -6.787 2.036 -5.284 1.00 0.79 H new ATOM 0 HD21 LEU A 130 -8.830 -0.198 -5.827 1.00 0.83 H new ATOM 0 HD22 LEU A 130 -7.750 -0.164 -4.413 1.00 0.83 H new ATOM 0 HD23 LEU A 130 -9.510 -0.300 -4.185 1.00 0.83 H new ATOM 1503 N VAL A 131 -9.660 2.993 -0.327 1.00 0.58 N ATOM 1504 CA VAL A 131 -9.339 3.334 1.054 1.00 0.65 C ATOM 1505 C VAL A 131 -9.905 2.292 2.007 1.00 0.79 C ATOM 1506 O VAL A 131 -11.052 1.866 1.869 1.00 0.92 O ATOM 1507 CB VAL A 131 -9.867 4.734 1.451 1.00 0.68 C ATOM 1508 CG1 VAL A 131 -9.177 5.817 0.643 1.00 1.44 C ATOM 1509 CG2 VAL A 131 -11.374 4.831 1.282 1.00 1.40 C ATOM 0 H VAL A 131 -10.239 3.680 -0.810 1.00 0.58 H new ATOM 0 HA VAL A 131 -8.252 3.351 1.129 1.00 0.65 H new ATOM 0 HB VAL A 131 -9.637 4.883 2.506 1.00 0.68 H new ATOM 0 HG11 VAL A 131 -9.563 6.793 0.938 1.00 1.44 H new ATOM 0 HG12 VAL A 131 -8.103 5.781 0.828 1.00 1.44 H new ATOM 0 HG13 VAL A 131 -9.368 5.657 -0.418 1.00 1.44 H new ATOM 0 HG21 VAL A 131 -11.709 5.827 1.570 1.00 1.40 H new ATOM 0 HG22 VAL A 131 -11.636 4.647 0.240 1.00 1.40 H new ATOM 0 HG23 VAL A 131 -11.860 4.088 1.915 1.00 1.40 H new ATOM 1746 N TYR B 148 7.844 9.235 4.141 1.00 0.63 N ATOM 1747 CA TYR B 148 7.754 7.990 4.904 1.00 0.45 C ATOM 1748 C TYR B 148 8.029 6.794 4.013 1.00 0.40 C ATOM 1749 O TYR B 148 7.956 5.646 4.454 1.00 0.58 O ATOM 1750 CB TYR B 148 6.357 7.836 5.502 1.00 0.52 C ATOM 1751 CG TYR B 148 5.937 8.992 6.366 1.00 0.55 C ATOM 1752 CD1 TYR B 148 5.523 10.184 5.796 1.00 0.63 C ATOM 1753 CD2 TYR B 148 5.963 8.891 7.746 1.00 0.63 C ATOM 1754 CE1 TYR B 148 5.142 11.251 6.580 1.00 0.73 C ATOM 1755 CE2 TYR B 148 5.583 9.948 8.542 1.00 0.72 C ATOM 1756 CZ TYR B 148 5.172 11.131 7.955 1.00 0.75 C ATOM 1757 OH TYR B 148 4.793 12.194 8.744 1.00 0.89 O ATOM 0 HA TYR B 148 8.498 8.033 5.699 1.00 0.45 H new ATOM 0 HB2 TYR B 148 5.636 7.718 4.693 1.00 0.52 H new ATOM 0 HB3 TYR B 148 6.324 6.921 6.094 1.00 0.52 H new ATOM 0 HD1 TYR B 148 5.498 10.279 4.720 1.00 0.63 H new ATOM 0 HD2 TYR B 148 6.286 7.969 8.206 1.00 0.63 H new ATOM 0 HE1 TYR B 148 4.822 12.175 6.122 1.00 0.73 H new ATOM 0 HE2 TYR B 148 5.606 9.854 9.618 1.00 0.72 H new ATOM 0 HH TYR B 148 4.871 11.944 9.688 1.00 0.89 H new ATOM 1767 N ASN B 149 8.322 7.067 2.756 1.00 0.38 N ATOM 1768 CA ASN B 149 8.529 6.011 1.782 1.00 0.30 C ATOM 1769 C ASN B 149 10.015 5.668 1.701 1.00 0.31 C ATOM 1770 O ASN B 149 10.841 6.531 1.413 1.00 0.36 O ATOM 1771 CB ASN B 149 8.006 6.451 0.405 1.00 0.34 C ATOM 1772 CG ASN B 149 8.049 5.359 -0.635 1.00 0.32 C ATOM 1773 OD1 ASN B 149 8.835 4.427 -0.562 1.00 0.27 O ATOM 1774 ND2 ASN B 149 7.205 5.479 -1.633 1.00 0.43 N ATOM 0 H ASN B 149 8.422 8.012 2.384 1.00 0.38 H new ATOM 0 HA ASN B 149 7.978 5.124 2.094 1.00 0.30 H new ATOM 0 HB2 ASN B 149 6.979 6.800 0.511 1.00 0.34 H new ATOM 0 HB3 ASN B 149 8.596 7.298 0.055 1.00 0.34 H new ATOM 0 HD21 ASN B 149 7.193 4.782 -2.377 1.00 0.43 H new ATOM 0 HD22 ASN B 149 6.561 6.270 -1.664 1.00 0.43 H new ATOM 1781 N PRO B 150 10.370 4.397 1.954 1.00 0.30 N ATOM 1782 CA PRO B 150 11.765 3.925 1.907 1.00 0.34 C ATOM 1783 C PRO B 150 12.385 3.995 0.505 1.00 0.33 C ATOM 1784 O PRO B 150 13.564 3.695 0.321 1.00 0.35 O ATOM 1785 CB PRO B 150 11.671 2.464 2.363 1.00 0.38 C ATOM 1786 CG PRO B 150 10.340 2.336 3.021 1.00 0.51 C ATOM 1787 CD PRO B 150 9.444 3.320 2.331 1.00 0.30 C ATOM 0 HA PRO B 150 12.407 4.549 2.528 1.00 0.34 H new ATOM 0 HB2 PRO B 150 11.757 1.783 1.517 1.00 0.38 H new ATOM 0 HB3 PRO B 150 12.476 2.216 3.055 1.00 0.38 H new ATOM 0 HG2 PRO B 150 9.953 1.322 2.925 1.00 0.51 H new ATOM 0 HG3 PRO B 150 10.409 2.552 4.087 1.00 0.51 H new ATOM 0 HD2 PRO B 150 8.957 2.882 1.460 1.00 0.30 H new ATOM 0 HD3 PRO B 150 8.654 3.679 2.991 1.00 0.30 H new ATOM 1795 N PHE B 151 11.579 4.347 -0.481 1.00 0.32 N ATOM 1796 CA PHE B 151 12.059 4.522 -1.847 1.00 0.35 C ATOM 1797 C PHE B 151 12.077 6.000 -2.210 1.00 0.39 C ATOM 1798 O PHE B 151 12.518 6.389 -3.292 1.00 0.50 O ATOM 1799 CB PHE B 151 11.170 3.739 -2.811 1.00 0.32 C ATOM 1800 CG PHE B 151 10.974 2.321 -2.369 1.00 0.32 C ATOM 1801 CD1 PHE B 151 12.003 1.400 -2.476 1.00 0.40 C ATOM 1802 CD2 PHE B 151 9.769 1.916 -1.824 1.00 0.32 C ATOM 1803 CE1 PHE B 151 11.832 0.102 -2.046 1.00 0.46 C ATOM 1804 CE2 PHE B 151 9.589 0.618 -1.396 1.00 0.39 C ATOM 1805 CZ PHE B 151 10.623 -0.289 -1.505 1.00 0.45 C ATOM 0 H PHE B 151 10.581 4.519 -0.363 1.00 0.32 H new ATOM 0 HA PHE B 151 13.077 4.139 -1.923 1.00 0.35 H new ATOM 0 HB2 PHE B 151 10.201 4.231 -2.891 1.00 0.32 H new ATOM 0 HB3 PHE B 151 11.616 3.750 -3.806 1.00 0.32 H new ATOM 0 HD1 PHE B 151 12.949 1.702 -2.901 1.00 0.40 H new ATOM 0 HD2 PHE B 151 8.960 2.625 -1.733 1.00 0.32 H new ATOM 0 HE1 PHE B 151 12.641 -0.608 -2.132 1.00 0.46 H new ATOM 0 HE2 PHE B 151 8.642 0.312 -0.977 1.00 0.39 H new ATOM 0 HZ PHE B 151 10.487 -1.306 -1.167 1.00 0.45 H new ATOM 1815 N GLU B 152 11.600 6.812 -1.279 1.00 0.41 N ATOM 1816 CA GLU B 152 11.524 8.254 -1.456 1.00 0.49 C ATOM 1817 C GLU B 152 12.300 8.920 -0.318 1.00 0.59 C ATOM 1818 O GLU B 152 11.996 10.035 0.105 1.00 0.76 O ATOM 1819 CB GLU B 152 10.050 8.690 -1.457 1.00 0.60 C ATOM 1820 CG GLU B 152 9.800 10.131 -1.891 1.00 0.62 C ATOM 1821 CD GLU B 152 8.327 10.491 -1.867 1.00 0.74 C ATOM 1822 OE1 GLU B 152 7.605 10.027 -0.956 1.00 1.01 O ATOM 1823 OE2 GLU B 152 7.878 11.250 -2.752 1.00 1.42 O ATOM 0 H GLU B 152 11.253 6.488 -0.376 1.00 0.41 H new ATOM 0 HA GLU B 152 11.963 8.554 -2.407 1.00 0.49 H new ATOM 0 HB2 GLU B 152 9.492 8.026 -2.117 1.00 0.60 H new ATOM 0 HB3 GLU B 152 9.647 8.554 -0.453 1.00 0.60 H new ATOM 0 HG2 GLU B 152 10.348 10.806 -1.234 1.00 0.62 H new ATOM 0 HG3 GLU B 152 10.192 10.278 -2.898 1.00 0.62 H new