USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1001 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 112 THR OG1 : rot -120:sc= -0.186 USER MOD Set 1.2: A 115 ASN : amide:sc= -4.22! K(o=-4.4!,f=2.8) USER MOD Set 2.1: A 32 THR OG1 : rot -160:sc= 0 USER MOD Set 2.2: A 110 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.57) USER MOD Set 3.1: A 40 SER OG : rot -73:sc= 0.171 USER MOD Set 3.2: A 43 THR OG1 : rot 16:sc= 0.798! USER MOD Single : A 10 THR OG1 : rot 110:sc= 0.125 USER MOD Single : A 12 GLN : amide:sc= -0.0473 K(o=-0.047,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 115:sc= 0.912 USER MOD Single : A 19 ASN : amide:sc= -0.0967 K(o=-0.097,f=-2.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -62:sc= 0.673 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ -139:sc= 0.846 (180deg=-0.256!) USER MOD Single : A 26 THR OG1 : rot -140:sc= 0.121 USER MOD Single : A 29 THR OG1 : rot -89:sc= 0.14 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -144:sc= -0.275 (180deg=-1.27!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00115 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 55:sc= -0.93! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00412 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 60 TYR OH : rot 141:sc= 0.115 USER MOD Single : A 61 SER OG : rot 95:sc= 0.912 USER MOD Single : A 62 HIS : no HD1:sc= -0.364 X(o=-0.36,f=-0.034) USER MOD Single : A 63 HIS : no HD1:sc= -3.39! K(o=-3.4!,f=-1.7) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0647 USER MOD Single : A 75 GLN : amide:sc= -5.18! C(o=-5.2!,f=-0.19!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-1.5) USER MOD Single : A 81 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.218) USER MOD Single : A 82 GLN : amide:sc= -1.26! K(o=-1.3!,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 140:sc= -0.423 (180deg=-0.57) USER MOD Single : A 93 ASN : amide:sc= -7.09! C(o=-7.1!,f=-5.6!) USER MOD Single : A 101 ASN : amide:sc= -0.886 K(o=-0.89,f=-0.031) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 16:sc= -3.51! USER MOD Single : A 121 LYS NZ :NH3+ -117:sc= -1.7 (180deg=-3.86!) USER MOD Single : A 122 THR OG1 : rot 79:sc= 0.628 USER MOD Single : A 124 MET CE :methyl 166:sc= -0.0512 (180deg=-0.601) USER MOD Single : A 127 LYS NZ :NH3+ -111:sc= 0.744 (180deg=-2.6!) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.507 6.600 0.860 1.00 0.78 N ATOM 103 CA ASP A 8 -16.375 6.505 1.824 1.00 0.51 C ATOM 104 C ASP A 8 -15.220 7.387 1.344 1.00 0.48 C ATOM 105 O ASP A 8 -14.486 7.029 0.444 1.00 0.78 O ATOM 106 CB ASP A 8 -15.904 5.053 1.916 1.00 0.56 C ATOM 107 CG ASP A 8 -15.918 4.603 3.378 1.00 0.91 C ATOM 108 OD1 ASP A 8 -16.993 4.317 3.879 1.00 2.06 O ATOM 109 OD2 ASP A 8 -14.854 4.553 3.973 1.00 0.53 O ATOM 0 HA ASP A 8 -16.705 6.843 2.806 1.00 0.51 H new ATOM 0 HB2 ASP A 8 -16.553 4.411 1.321 1.00 0.56 H new ATOM 0 HB3 ASP A 8 -14.899 4.959 1.505 1.00 0.56 H new ATOM 114 N ILE A 9 -15.053 8.538 1.936 1.00 0.45 N ATOM 115 CA ILE A 9 -13.945 9.440 1.513 1.00 0.42 C ATOM 116 C ILE A 9 -12.605 8.731 1.719 1.00 0.28 C ATOM 117 O ILE A 9 -11.612 9.072 1.108 1.00 0.41 O ATOM 118 CB ILE A 9 -13.980 10.719 2.352 1.00 0.48 C ATOM 119 CG1 ILE A 9 -12.839 11.643 1.919 1.00 0.69 C ATOM 120 CG2 ILE A 9 -13.815 10.364 3.830 1.00 0.25 C ATOM 121 CD1 ILE A 9 -13.166 13.081 2.324 1.00 0.86 C ATOM 0 H ILE A 9 -15.636 8.893 2.694 1.00 0.45 H new ATOM 0 HA ILE A 9 -14.064 9.694 0.460 1.00 0.42 H new ATOM 0 HB ILE A 9 -14.934 11.225 2.205 1.00 0.48 H new ATOM 0 HG12 ILE A 9 -11.905 11.327 2.383 1.00 0.69 H new ATOM 0 HG13 ILE A 9 -12.696 11.581 0.840 1.00 0.69 H new ATOM 0 HG21 ILE A 9 -13.840 11.275 4.428 1.00 0.25 H new ATOM 0 HG22 ILE A 9 -14.627 9.705 4.139 1.00 0.25 H new ATOM 0 HG23 ILE A 9 -12.861 9.859 3.978 1.00 0.25 H new ATOM 0 HD11 ILE A 9 -12.354 13.739 2.016 1.00 0.86 H new ATOM 0 HD12 ILE A 9 -14.091 13.394 1.839 1.00 0.86 H new ATOM 0 HD13 ILE A 9 -13.287 13.136 3.406 1.00 0.86 H new ATOM 133 N THR A 10 -12.569 7.748 2.575 1.00 0.16 N ATOM 134 CA THR A 10 -11.293 7.019 2.818 1.00 0.32 C ATOM 135 C THR A 10 -10.790 6.421 1.503 1.00 0.24 C ATOM 136 O THR A 10 -9.681 6.674 1.078 1.00 0.24 O ATOM 137 CB THR A 10 -11.529 5.897 3.833 1.00 0.54 C ATOM 138 OG1 THR A 10 -12.405 6.360 4.851 1.00 0.61 O ATOM 139 CG2 THR A 10 -10.195 5.480 4.454 1.00 0.77 C ATOM 0 H THR A 10 -13.368 7.418 3.117 1.00 0.16 H new ATOM 0 HA THR A 10 -10.549 7.711 3.211 1.00 0.32 H new ATOM 0 HB THR A 10 -11.976 5.039 3.331 1.00 0.54 H new ATOM 0 HG1 THR A 10 -13.272 5.911 4.766 1.00 0.61 H new ATOM 0 HG21 THR A 10 -10.364 4.681 5.176 1.00 0.77 H new ATOM 0 HG22 THR A 10 -9.524 5.126 3.671 1.00 0.77 H new ATOM 0 HG23 THR A 10 -9.745 6.336 4.958 1.00 0.77 H new ATOM 147 N LEU A 11 -11.597 5.628 0.853 1.00 0.23 N ATOM 148 CA LEU A 11 -11.161 5.019 -0.434 1.00 0.21 C ATOM 149 C LEU A 11 -10.764 6.130 -1.408 1.00 0.23 C ATOM 150 O LEU A 11 -10.178 5.882 -2.443 1.00 0.18 O ATOM 151 CB LEU A 11 -12.312 4.202 -1.034 1.00 0.34 C ATOM 152 CG LEU A 11 -12.778 3.133 -0.038 1.00 0.44 C ATOM 153 CD1 LEU A 11 -14.195 2.685 -0.403 1.00 0.53 C ATOM 154 CD2 LEU A 11 -11.841 1.920 -0.087 1.00 0.76 C ATOM 0 H LEU A 11 -12.537 5.376 1.157 1.00 0.23 H new ATOM 0 HA LEU A 11 -10.308 4.364 -0.256 1.00 0.21 H new ATOM 0 HB2 LEU A 11 -13.143 4.861 -1.286 1.00 0.34 H new ATOM 0 HB3 LEU A 11 -11.987 3.729 -1.961 1.00 0.34 H new ATOM 0 HG LEU A 11 -12.766 3.555 0.967 1.00 0.44 H new ATOM 0 HD11 LEU A 11 -14.530 1.925 0.303 1.00 0.53 H new ATOM 0 HD12 LEU A 11 -14.869 3.541 -0.362 1.00 0.53 H new ATOM 0 HD13 LEU A 11 -14.197 2.270 -1.411 1.00 0.53 H new ATOM 0 HD21 LEU A 11 -12.182 1.168 0.624 1.00 0.76 H new ATOM 0 HD22 LEU A 11 -11.845 1.497 -1.092 1.00 0.76 H new ATOM 0 HD23 LEU A 11 -10.829 2.231 0.171 1.00 0.76 H new ATOM 166 N GLN A 12 -11.079 7.355 -1.083 1.00 0.40 N ATOM 167 CA GLN A 12 -10.721 8.482 -1.990 1.00 0.55 C ATOM 168 C GLN A 12 -9.269 8.896 -1.741 1.00 0.62 C ATOM 169 O GLN A 12 -8.417 8.746 -2.594 1.00 0.61 O ATOM 170 CB GLN A 12 -11.643 9.671 -1.715 1.00 0.70 C ATOM 171 CG GLN A 12 -11.904 10.428 -3.019 1.00 0.43 C ATOM 172 CD GLN A 12 -12.800 11.634 -2.739 1.00 0.59 C ATOM 173 OE1 GLN A 12 -13.101 11.932 -1.600 1.00 1.62 O ATOM 174 NE2 GLN A 12 -13.244 12.348 -3.738 1.00 0.78 N ATOM 0 H GLN A 12 -11.568 7.623 -0.229 1.00 0.40 H new ATOM 0 HA GLN A 12 -10.836 8.164 -3.026 1.00 0.55 H new ATOM 0 HB2 GLN A 12 -12.584 9.324 -1.289 1.00 0.70 H new ATOM 0 HB3 GLN A 12 -11.187 10.336 -0.981 1.00 0.70 H new ATOM 0 HG2 GLN A 12 -10.961 10.756 -3.456 1.00 0.43 H new ATOM 0 HG3 GLN A 12 -12.380 9.769 -3.745 1.00 0.43 H new ATOM 0 HE21 GLN A 12 -12.992 12.099 -4.695 1.00 0.78 H new ATOM 0 HE22 GLN A 12 -13.843 13.155 -3.562 1.00 0.78 H new ATOM 183 N GLU A 13 -8.981 9.421 -0.581 1.00 0.73 N ATOM 184 CA GLU A 13 -7.585 9.847 -0.284 1.00 0.85 C ATOM 185 C GLU A 13 -6.626 8.690 -0.577 1.00 0.74 C ATOM 186 O GLU A 13 -5.445 8.887 -0.782 1.00 0.84 O ATOM 187 CB GLU A 13 -7.473 10.256 1.188 1.00 1.01 C ATOM 188 CG GLU A 13 -7.436 9.008 2.074 1.00 0.96 C ATOM 189 CD GLU A 13 -5.984 8.582 2.295 1.00 2.00 C ATOM 190 OE1 GLU A 13 -5.344 9.158 3.160 1.00 2.18 O ATOM 191 OE2 GLU A 13 -5.536 7.687 1.599 1.00 2.98 O ATOM 0 H GLU A 13 -9.652 9.573 0.172 1.00 0.73 H new ATOM 0 HA GLU A 13 -7.323 10.699 -0.911 1.00 0.85 H new ATOM 0 HB2 GLU A 13 -6.571 10.849 1.342 1.00 1.01 H new ATOM 0 HB3 GLU A 13 -8.319 10.885 1.465 1.00 1.01 H new ATOM 0 HG2 GLU A 13 -7.915 9.214 3.031 1.00 0.96 H new ATOM 0 HG3 GLU A 13 -7.996 8.199 1.605 1.00 0.96 H new ATOM 198 N ILE A 14 -7.125 7.484 -0.600 1.00 0.59 N ATOM 199 CA ILE A 14 -6.242 6.316 -0.881 1.00 0.58 C ATOM 200 C ILE A 14 -6.032 6.187 -2.391 1.00 0.45 C ATOM 201 O ILE A 14 -4.928 5.991 -2.859 1.00 0.69 O ATOM 202 CB ILE A 14 -6.898 5.040 -0.350 1.00 0.55 C ATOM 203 CG1 ILE A 14 -6.850 5.042 1.180 1.00 0.55 C ATOM 204 CG2 ILE A 14 -6.145 3.820 -0.881 1.00 0.56 C ATOM 205 CD1 ILE A 14 -7.769 3.944 1.720 1.00 0.53 C ATOM 0 H ILE A 14 -8.106 7.257 -0.436 1.00 0.59 H new ATOM 0 HA ILE A 14 -5.280 6.463 -0.390 1.00 0.58 H new ATOM 0 HB ILE A 14 -7.935 4.999 -0.682 1.00 0.55 H new ATOM 0 HG12 ILE A 14 -5.828 4.877 1.523 1.00 0.55 H new ATOM 0 HG13 ILE A 14 -7.162 6.014 1.563 1.00 0.55 H new ATOM 0 HG21 ILE A 14 -6.612 2.911 -0.503 1.00 0.56 H new ATOM 0 HG22 ILE A 14 -6.177 3.818 -1.971 1.00 0.56 H new ATOM 0 HG23 ILE A 14 -5.108 3.860 -0.549 1.00 0.56 H new ATOM 0 HD11 ILE A 14 -7.735 3.945 2.809 1.00 0.53 H new ATOM 0 HD12 ILE A 14 -8.791 4.129 1.388 1.00 0.53 H new ATOM 0 HD13 ILE A 14 -7.436 2.975 1.347 1.00 0.53 H new ATOM 217 N ILE A 15 -7.083 6.291 -3.158 1.00 0.15 N ATOM 218 CA ILE A 15 -6.943 6.170 -4.636 1.00 0.14 C ATOM 219 C ILE A 15 -6.115 7.340 -5.173 1.00 0.17 C ATOM 220 O ILE A 15 -5.143 7.152 -5.879 1.00 0.23 O ATOM 221 CB ILE A 15 -8.330 6.189 -5.282 1.00 0.14 C ATOM 222 CG1 ILE A 15 -8.999 4.826 -5.091 1.00 0.11 C ATOM 223 CG2 ILE A 15 -8.193 6.483 -6.777 1.00 0.37 C ATOM 224 CD1 ILE A 15 -10.481 4.929 -5.454 1.00 0.07 C ATOM 0 H ILE A 15 -8.033 6.455 -2.824 1.00 0.15 H new ATOM 0 HA ILE A 15 -6.441 5.233 -4.876 1.00 0.14 H new ATOM 0 HB ILE A 15 -8.938 6.963 -4.814 1.00 0.14 H new ATOM 0 HG12 ILE A 15 -8.511 4.079 -5.717 1.00 0.11 H new ATOM 0 HG13 ILE A 15 -8.889 4.497 -4.058 1.00 0.11 H new ATOM 0 HG21 ILE A 15 -9.181 6.497 -7.237 1.00 0.37 H new ATOM 0 HG22 ILE A 15 -7.715 7.453 -6.915 1.00 0.37 H new ATOM 0 HG23 ILE A 15 -7.585 5.709 -7.246 1.00 0.37 H new ATOM 0 HD11 ILE A 15 -10.957 3.958 -5.318 1.00 0.07 H new ATOM 0 HD12 ILE A 15 -10.963 5.663 -4.809 1.00 0.07 H new ATOM 0 HD13 ILE A 15 -10.580 5.239 -6.494 1.00 0.07 H new ATOM 236 N LYS A 16 -6.493 8.546 -4.849 1.00 0.14 N ATOM 237 CA LYS A 16 -5.727 9.725 -5.348 1.00 0.19 C ATOM 238 C LYS A 16 -4.284 9.659 -4.839 1.00 0.23 C ATOM 239 O LYS A 16 -3.345 9.860 -5.585 1.00 0.20 O ATOM 240 CB LYS A 16 -6.391 11.019 -4.863 1.00 0.27 C ATOM 241 CG LYS A 16 -6.534 11.013 -3.342 1.00 2.24 C ATOM 242 CD LYS A 16 -5.436 11.876 -2.711 1.00 3.33 C ATOM 243 CE LYS A 16 -5.832 13.349 -2.804 1.00 3.17 C ATOM 244 NZ LYS A 16 -4.615 14.178 -3.038 1.00 4.54 N ATOM 0 H LYS A 16 -7.297 8.767 -4.262 1.00 0.14 H new ATOM 0 HA LYS A 16 -5.722 9.713 -6.438 1.00 0.19 H new ATOM 0 HB2 LYS A 16 -5.796 11.878 -5.174 1.00 0.27 H new ATOM 0 HB3 LYS A 16 -7.372 11.126 -5.325 1.00 0.27 H new ATOM 0 HG2 LYS A 16 -7.515 11.394 -3.059 1.00 2.24 H new ATOM 0 HG3 LYS A 16 -6.467 9.992 -2.966 1.00 2.24 H new ATOM 0 HD2 LYS A 16 -5.289 11.593 -1.669 1.00 3.33 H new ATOM 0 HD3 LYS A 16 -4.488 11.710 -3.223 1.00 3.33 H new ATOM 0 HE2 LYS A 16 -6.545 13.494 -3.615 1.00 3.17 H new ATOM 0 HE3 LYS A 16 -6.327 13.662 -1.885 1.00 3.17 H new ATOM 0 HZ1 LYS A 16 -4.885 15.180 -3.101 1.00 4.54 H new ATOM 0 HZ2 LYS A 16 -3.949 14.048 -2.250 1.00 4.54 H new ATOM 0 HZ3 LYS A 16 -4.161 13.885 -3.927 1.00 4.54 H new ATOM 258 N THR A 17 -4.095 9.377 -3.580 1.00 0.33 N ATOM 259 CA THR A 17 -2.710 9.298 -3.037 1.00 0.40 C ATOM 260 C THR A 17 -1.932 8.219 -3.792 1.00 0.34 C ATOM 261 O THR A 17 -0.781 8.397 -4.139 1.00 0.30 O ATOM 262 CB THR A 17 -2.760 8.944 -1.549 1.00 0.54 C ATOM 263 OG1 THR A 17 -3.362 10.012 -0.830 1.00 0.78 O ATOM 264 CG2 THR A 17 -1.340 8.714 -1.029 1.00 0.34 C ATOM 0 H THR A 17 -4.838 9.198 -2.905 1.00 0.33 H new ATOM 0 HA THR A 17 -2.215 10.261 -3.162 1.00 0.40 H new ATOM 0 HB THR A 17 -3.346 8.036 -1.411 1.00 0.54 H new ATOM 0 HG1 THR A 17 -4.208 9.708 -0.440 1.00 0.78 H new ATOM 0 HG21 THR A 17 -1.377 8.462 0.031 1.00 0.34 H new ATOM 0 HG22 THR A 17 -0.879 7.895 -1.581 1.00 0.34 H new ATOM 0 HG23 THR A 17 -0.751 9.621 -1.166 1.00 0.34 H new ATOM 272 N LEU A 18 -2.552 7.100 -4.052 1.00 0.34 N ATOM 273 CA LEU A 18 -1.849 6.012 -4.786 1.00 0.32 C ATOM 274 C LEU A 18 -1.309 6.560 -6.108 1.00 0.23 C ATOM 275 O LEU A 18 -0.207 6.252 -6.516 1.00 0.23 O ATOM 276 CB LEU A 18 -2.830 4.869 -5.069 1.00 0.35 C ATOM 277 CG LEU A 18 -2.899 3.931 -3.858 1.00 0.35 C ATOM 278 CD1 LEU A 18 -4.056 2.949 -4.042 1.00 0.34 C ATOM 279 CD2 LEU A 18 -1.587 3.145 -3.718 1.00 0.60 C ATOM 0 H LEU A 18 -3.515 6.893 -3.787 1.00 0.34 H new ATOM 0 HA LEU A 18 -1.023 5.638 -4.181 1.00 0.32 H new ATOM 0 HB2 LEU A 18 -3.819 5.272 -5.285 1.00 0.35 H new ATOM 0 HB3 LEU A 18 -2.512 4.315 -5.952 1.00 0.35 H new ATOM 0 HG LEU A 18 -3.055 4.527 -2.959 1.00 0.35 H new ATOM 0 HD11 LEU A 18 -4.107 2.281 -3.182 1.00 0.34 H new ATOM 0 HD12 LEU A 18 -4.992 3.501 -4.128 1.00 0.34 H new ATOM 0 HD13 LEU A 18 -3.896 2.363 -4.947 1.00 0.34 H new ATOM 0 HD21 LEU A 18 -1.650 2.483 -2.854 1.00 0.60 H new ATOM 0 HD22 LEU A 18 -1.420 2.553 -4.618 1.00 0.60 H new ATOM 0 HD23 LEU A 18 -0.759 3.841 -3.582 1.00 0.60 H new ATOM 291 N ASN A 19 -2.078 7.371 -6.781 1.00 0.18 N ATOM 292 CA ASN A 19 -1.608 7.940 -8.076 1.00 0.11 C ATOM 293 C ASN A 19 -0.347 8.772 -7.838 1.00 0.11 C ATOM 294 O ASN A 19 0.621 8.673 -8.567 1.00 0.15 O ATOM 295 CB ASN A 19 -2.702 8.830 -8.670 1.00 0.10 C ATOM 296 CG ASN A 19 -3.836 7.956 -9.209 1.00 0.09 C ATOM 297 OD1 ASN A 19 -4.289 7.048 -8.541 1.00 0.94 O ATOM 298 ND2 ASN A 19 -4.317 8.192 -10.399 1.00 1.09 N ATOM 0 H ASN A 19 -3.011 7.664 -6.491 1.00 0.18 H new ATOM 0 HA ASN A 19 -1.384 7.129 -8.769 1.00 0.11 H new ATOM 0 HB2 ASN A 19 -3.084 9.511 -7.910 1.00 0.10 H new ATOM 0 HB3 ASN A 19 -2.290 9.445 -9.471 1.00 0.10 H new ATOM 0 HD21 ASN A 19 -5.073 7.614 -10.767 1.00 1.09 H new ATOM 0 HD22 ASN A 19 -3.937 8.954 -10.961 1.00 1.09 H new ATOM 305 N SER A 20 -0.348 9.592 -6.822 1.00 0.15 N ATOM 306 CA SER A 20 0.852 10.428 -6.540 1.00 0.16 C ATOM 307 C SER A 20 2.077 9.524 -6.382 1.00 0.17 C ATOM 308 O SER A 20 3.161 9.849 -6.823 1.00 0.19 O ATOM 309 CB SER A 20 0.632 11.217 -5.249 1.00 0.25 C ATOM 310 OG SER A 20 -0.174 12.355 -5.527 1.00 0.58 O ATOM 0 H SER A 20 -1.127 9.718 -6.176 1.00 0.15 H new ATOM 0 HA SER A 20 1.015 11.121 -7.366 1.00 0.16 H new ATOM 0 HB2 SER A 20 0.148 10.588 -4.502 1.00 0.25 H new ATOM 0 HB3 SER A 20 1.590 11.528 -4.831 1.00 0.25 H new ATOM 0 HG SER A 20 -0.319 12.863 -4.701 1.00 0.58 H new ATOM 316 N LEU A 21 1.914 8.392 -5.754 1.00 0.20 N ATOM 317 CA LEU A 21 3.069 7.471 -5.568 1.00 0.26 C ATOM 318 C LEU A 21 3.605 7.040 -6.935 1.00 0.30 C ATOM 319 O LEU A 21 4.794 7.062 -7.182 1.00 0.40 O ATOM 320 CB LEU A 21 2.615 6.235 -4.786 1.00 0.25 C ATOM 321 CG LEU A 21 2.843 6.461 -3.289 1.00 0.20 C ATOM 322 CD1 LEU A 21 1.960 5.502 -2.490 1.00 0.33 C ATOM 323 CD2 LEU A 21 4.313 6.200 -2.945 1.00 0.38 C ATOM 0 H LEU A 21 1.031 8.066 -5.362 1.00 0.20 H new ATOM 0 HA LEU A 21 3.856 7.984 -5.015 1.00 0.26 H new ATOM 0 HB2 LEU A 21 1.560 6.038 -4.978 1.00 0.25 H new ATOM 0 HB3 LEU A 21 3.169 5.357 -5.120 1.00 0.25 H new ATOM 0 HG LEU A 21 2.589 7.491 -3.038 1.00 0.20 H new ATOM 0 HD11 LEU A 21 2.121 5.662 -1.424 1.00 0.33 H new ATOM 0 HD12 LEU A 21 0.913 5.686 -2.730 1.00 0.33 H new ATOM 0 HD13 LEU A 21 2.216 4.474 -2.746 1.00 0.33 H new ATOM 0 HD21 LEU A 21 4.471 6.362 -1.879 1.00 0.38 H new ATOM 0 HD22 LEU A 21 4.569 5.171 -3.198 1.00 0.38 H new ATOM 0 HD23 LEU A 21 4.946 6.881 -3.513 1.00 0.38 H new ATOM 335 N THR A 22 2.737 6.647 -7.827 1.00 0.27 N ATOM 336 CA THR A 22 3.199 6.216 -9.176 1.00 0.37 C ATOM 337 C THR A 22 4.078 7.308 -9.788 1.00 0.47 C ATOM 338 O THR A 22 5.127 7.036 -10.338 1.00 0.68 O ATOM 339 CB THR A 22 1.987 5.971 -10.079 1.00 0.40 C ATOM 340 OG1 THR A 22 1.300 7.197 -10.289 1.00 0.49 O ATOM 341 CG2 THR A 22 1.047 4.965 -9.413 1.00 0.35 C ATOM 0 H THR A 22 1.729 6.606 -7.680 1.00 0.27 H new ATOM 0 HA THR A 22 3.775 5.295 -9.084 1.00 0.37 H new ATOM 0 HB THR A 22 2.322 5.573 -11.037 1.00 0.40 H new ATOM 0 HG1 THR A 22 0.974 7.540 -9.431 1.00 0.49 H new ATOM 0 HG21 THR A 22 0.185 4.791 -10.057 1.00 0.35 H new ATOM 0 HG22 THR A 22 1.575 4.025 -9.252 1.00 0.35 H new ATOM 0 HG23 THR A 22 0.711 5.361 -8.455 1.00 0.35 H new ATOM 349 N GLU A 23 3.662 8.541 -9.696 1.00 0.33 N ATOM 350 CA GLU A 23 4.478 9.646 -10.272 1.00 0.41 C ATOM 351 C GLU A 23 5.934 9.482 -9.835 1.00 0.36 C ATOM 352 O GLU A 23 6.853 9.774 -10.574 1.00 0.35 O ATOM 353 CB GLU A 23 3.943 10.992 -9.777 1.00 0.52 C ATOM 354 CG GLU A 23 2.494 11.167 -10.237 1.00 0.50 C ATOM 355 CD GLU A 23 2.474 11.834 -11.614 1.00 0.72 C ATOM 356 OE1 GLU A 23 2.970 11.229 -12.551 1.00 2.09 O ATOM 357 OE2 GLU A 23 1.962 12.937 -11.708 1.00 0.90 O ATOM 0 H GLU A 23 2.793 8.831 -9.247 1.00 0.33 H new ATOM 0 HA GLU A 23 4.418 9.613 -11.360 1.00 0.41 H new ATOM 0 HB2 GLU A 23 3.998 11.039 -8.689 1.00 0.52 H new ATOM 0 HB3 GLU A 23 4.559 11.804 -10.163 1.00 0.52 H new ATOM 0 HG2 GLU A 23 1.996 10.198 -10.283 1.00 0.50 H new ATOM 0 HG3 GLU A 23 1.944 11.775 -9.519 1.00 0.50 H new ATOM 364 N GLN A 24 6.150 9.016 -8.636 1.00 0.33 N ATOM 365 CA GLN A 24 7.546 8.829 -8.147 1.00 0.31 C ATOM 366 C GLN A 24 7.994 7.394 -8.434 1.00 0.26 C ATOM 367 O GLN A 24 7.229 6.459 -8.308 1.00 0.30 O ATOM 368 CB GLN A 24 7.598 9.089 -6.641 1.00 0.34 C ATOM 369 CG GLN A 24 7.211 10.543 -6.359 1.00 0.27 C ATOM 370 CD GLN A 24 8.472 11.360 -6.072 1.00 0.97 C ATOM 371 OE1 GLN A 24 9.078 11.216 -5.029 1.00 1.72 O ATOM 372 NE2 GLN A 24 8.895 12.219 -6.959 1.00 1.47 N ATOM 0 H GLN A 24 5.420 8.756 -7.973 1.00 0.33 H new ATOM 0 HA GLN A 24 8.209 9.527 -8.657 1.00 0.31 H new ATOM 0 HB2 GLN A 24 6.919 8.414 -6.121 1.00 0.34 H new ATOM 0 HB3 GLN A 24 8.600 8.888 -6.261 1.00 0.34 H new ATOM 0 HG2 GLN A 24 6.680 10.962 -7.214 1.00 0.27 H new ATOM 0 HG3 GLN A 24 6.532 10.591 -5.508 1.00 0.27 H new ATOM 0 HE21 GLN A 24 8.386 12.340 -7.835 1.00 1.47 H new ATOM 0 HE22 GLN A 24 9.734 12.769 -6.776 1.00 1.47 H new ATOM 381 N LYS A 25 9.227 7.212 -8.820 1.00 0.24 N ATOM 382 CA LYS A 25 9.718 5.836 -9.114 1.00 0.28 C ATOM 383 C LYS A 25 11.206 5.735 -8.771 1.00 0.30 C ATOM 384 O LYS A 25 12.061 5.991 -9.595 1.00 0.69 O ATOM 385 CB LYS A 25 9.517 5.532 -10.600 1.00 0.40 C ATOM 386 CG LYS A 25 8.042 5.221 -10.863 1.00 0.67 C ATOM 387 CD LYS A 25 7.852 4.856 -12.337 1.00 0.84 C ATOM 388 CE LYS A 25 6.656 5.622 -12.903 1.00 0.98 C ATOM 389 NZ LYS A 25 5.445 5.325 -12.087 1.00 2.51 N ATOM 0 H LYS A 25 9.915 7.955 -8.944 1.00 0.24 H new ATOM 0 HA LYS A 25 9.160 5.117 -8.514 1.00 0.28 H new ATOM 0 HB2 LYS A 25 9.833 6.384 -11.202 1.00 0.40 H new ATOM 0 HB3 LYS A 25 10.136 4.685 -10.896 1.00 0.40 H new ATOM 0 HG2 LYS A 25 7.714 4.398 -10.228 1.00 0.67 H new ATOM 0 HG3 LYS A 25 7.427 6.084 -10.609 1.00 0.67 H new ATOM 0 HD2 LYS A 25 8.752 5.098 -12.901 1.00 0.84 H new ATOM 0 HD3 LYS A 25 7.691 3.783 -12.439 1.00 0.84 H new ATOM 0 HE2 LYS A 25 6.859 6.693 -12.895 1.00 0.98 H new ATOM 0 HE3 LYS A 25 6.487 5.338 -13.942 1.00 0.98 H new ATOM 0 HZ1 LYS A 25 4.625 5.204 -12.715 1.00 2.51 H new ATOM 0 HZ2 LYS A 25 5.598 4.451 -11.544 1.00 2.51 H new ATOM 0 HZ3 LYS A 25 5.266 6.113 -11.432 1.00 2.51 H new ATOM 403 N THR A 26 11.521 5.360 -7.561 1.00 0.27 N ATOM 404 CA THR A 26 12.953 5.239 -7.166 1.00 0.17 C ATOM 405 C THR A 26 13.414 3.795 -7.373 1.00 0.13 C ATOM 406 O THR A 26 12.701 2.980 -7.924 1.00 0.10 O ATOM 407 CB THR A 26 13.110 5.619 -5.691 1.00 0.26 C ATOM 408 OG1 THR A 26 12.836 4.485 -4.881 1.00 0.43 O ATOM 409 CG2 THR A 26 12.133 6.745 -5.345 1.00 0.32 C ATOM 0 H THR A 26 10.848 5.132 -6.829 1.00 0.27 H new ATOM 0 HA THR A 26 13.559 5.907 -7.778 1.00 0.17 H new ATOM 0 HB THR A 26 14.130 5.958 -5.509 1.00 0.26 H new ATOM 0 HG1 THR A 26 12.326 4.762 -4.091 1.00 0.43 H new ATOM 0 HG21 THR A 26 12.246 7.015 -4.295 1.00 0.32 H new ATOM 0 HG22 THR A 26 12.345 7.614 -5.968 1.00 0.32 H new ATOM 0 HG23 THR A 26 11.112 6.409 -5.526 1.00 0.32 H new ATOM 417 N LEU A 27 14.599 3.469 -6.935 1.00 0.17 N ATOM 418 CA LEU A 27 15.098 2.076 -7.109 1.00 0.20 C ATOM 419 C LEU A 27 14.487 1.178 -6.030 1.00 0.18 C ATOM 420 O LEU A 27 14.562 -0.033 -6.100 1.00 0.20 O ATOM 421 CB LEU A 27 16.625 2.058 -6.992 1.00 0.26 C ATOM 422 CG LEU A 27 17.042 2.401 -5.561 1.00 0.24 C ATOM 423 CD1 LEU A 27 17.462 1.124 -4.830 1.00 0.40 C ATOM 424 CD2 LEU A 27 18.221 3.376 -5.596 1.00 0.27 C ATOM 0 H LEU A 27 15.242 4.106 -6.465 1.00 0.17 H new ATOM 0 HA LEU A 27 14.810 1.707 -8.093 1.00 0.20 H new ATOM 0 HB2 LEU A 27 17.008 1.075 -7.266 1.00 0.26 H new ATOM 0 HB3 LEU A 27 17.060 2.775 -7.688 1.00 0.26 H new ATOM 0 HG LEU A 27 16.202 2.859 -5.038 1.00 0.24 H new ATOM 0 HD11 LEU A 27 17.759 1.369 -3.810 1.00 0.40 H new ATOM 0 HD12 LEU A 27 16.625 0.426 -4.806 1.00 0.40 H new ATOM 0 HD13 LEU A 27 18.302 0.665 -5.352 1.00 0.40 H new ATOM 0 HD21 LEU A 27 18.520 3.622 -4.577 1.00 0.27 H new ATOM 0 HD22 LEU A 27 19.059 2.915 -6.119 1.00 0.27 H new ATOM 0 HD23 LEU A 27 17.925 4.286 -6.117 1.00 0.27 H new ATOM 436 N CYS A 28 13.881 1.763 -5.034 1.00 0.22 N ATOM 437 CA CYS A 28 13.264 0.946 -3.952 1.00 0.28 C ATOM 438 C CYS A 28 12.211 0.015 -4.556 1.00 0.38 C ATOM 439 O CYS A 28 11.629 -0.805 -3.874 1.00 0.45 O ATOM 440 CB CYS A 28 12.599 1.873 -2.931 1.00 0.23 C ATOM 441 SG CYS A 28 13.141 1.426 -1.262 1.00 0.38 S ATOM 0 H CYS A 28 13.786 2.772 -4.923 1.00 0.22 H new ATOM 0 HA CYS A 28 14.034 0.353 -3.458 1.00 0.28 H new ATOM 0 HB2 CYS A 28 12.859 2.910 -3.143 1.00 0.23 H new ATOM 0 HB3 CYS A 28 11.514 1.794 -3.005 1.00 0.23 H new ATOM 446 N THR A 29 11.963 0.135 -5.831 1.00 0.40 N ATOM 447 CA THR A 29 10.948 -0.743 -6.479 1.00 0.51 C ATOM 448 C THR A 29 11.584 -2.092 -6.818 1.00 0.60 C ATOM 449 O THR A 29 10.952 -3.127 -6.732 1.00 0.89 O ATOM 450 CB THR A 29 10.445 -0.080 -7.763 1.00 0.55 C ATOM 451 OG1 THR A 29 11.537 0.118 -8.652 1.00 0.54 O ATOM 452 CG2 THR A 29 9.807 1.269 -7.428 1.00 0.49 C ATOM 0 H THR A 29 12.419 0.803 -6.452 1.00 0.40 H new ATOM 0 HA THR A 29 10.111 -0.896 -5.797 1.00 0.51 H new ATOM 0 HB THR A 29 9.702 -0.723 -8.236 1.00 0.55 H new ATOM 0 HG1 THR A 29 11.944 0.992 -8.480 1.00 0.54 H new ATOM 0 HG21 THR A 29 9.449 1.740 -8.344 1.00 0.49 H new ATOM 0 HG22 THR A 29 8.969 1.116 -6.747 1.00 0.49 H new ATOM 0 HG23 THR A 29 10.547 1.914 -6.954 1.00 0.49 H new ATOM 460 N GLU A 30 12.831 -2.091 -7.203 1.00 0.39 N ATOM 461 CA GLU A 30 13.505 -3.375 -7.546 1.00 0.47 C ATOM 462 C GLU A 30 13.258 -4.395 -6.433 1.00 0.41 C ATOM 463 O GLU A 30 13.212 -5.586 -6.668 1.00 0.49 O ATOM 464 CB GLU A 30 15.009 -3.137 -7.695 1.00 0.62 C ATOM 465 CG GLU A 30 15.252 -2.022 -8.713 1.00 0.89 C ATOM 466 CD GLU A 30 16.654 -2.168 -9.308 1.00 1.57 C ATOM 467 OE1 GLU A 30 17.590 -1.687 -8.692 1.00 2.77 O ATOM 468 OE2 GLU A 30 16.768 -2.761 -10.368 1.00 1.23 O ATOM 0 H GLU A 30 13.412 -1.257 -7.295 1.00 0.39 H new ATOM 0 HA GLU A 30 13.102 -3.757 -8.484 1.00 0.47 H new ATOM 0 HB2 GLU A 30 15.442 -2.865 -6.732 1.00 0.62 H new ATOM 0 HB3 GLU A 30 15.502 -4.053 -8.019 1.00 0.62 H new ATOM 0 HG2 GLU A 30 14.503 -2.068 -9.504 1.00 0.89 H new ATOM 0 HG3 GLU A 30 15.149 -1.049 -8.233 1.00 0.89 H new ATOM 475 N LEU A 31 13.097 -3.937 -5.221 1.00 0.58 N ATOM 476 CA LEU A 31 12.852 -4.881 -4.095 1.00 0.49 C ATOM 477 C LEU A 31 11.527 -5.612 -4.322 1.00 0.39 C ATOM 478 O LEU A 31 10.501 -5.002 -4.547 1.00 0.68 O ATOM 479 CB LEU A 31 12.785 -4.100 -2.780 1.00 0.55 C ATOM 480 CG LEU A 31 13.935 -3.093 -2.726 1.00 0.59 C ATOM 481 CD1 LEU A 31 13.982 -2.446 -1.341 1.00 0.77 C ATOM 482 CD2 LEU A 31 15.256 -3.815 -2.996 1.00 0.51 C ATOM 0 H LEU A 31 13.125 -2.951 -4.963 1.00 0.58 H new ATOM 0 HA LEU A 31 13.664 -5.607 -4.046 1.00 0.49 H new ATOM 0 HB2 LEU A 31 11.829 -3.582 -2.701 1.00 0.55 H new ATOM 0 HB3 LEU A 31 12.847 -4.785 -1.934 1.00 0.55 H new ATOM 0 HG LEU A 31 13.780 -2.323 -3.481 1.00 0.59 H new ATOM 0 HD11 LEU A 31 14.801 -1.728 -1.302 1.00 0.77 H new ATOM 0 HD12 LEU A 31 13.040 -1.932 -1.147 1.00 0.77 H new ATOM 0 HD13 LEU A 31 14.138 -3.216 -0.585 1.00 0.77 H new ATOM 0 HD21 LEU A 31 16.077 -3.099 -2.958 1.00 0.51 H new ATOM 0 HD22 LEU A 31 15.411 -4.585 -2.240 1.00 0.51 H new ATOM 0 HD23 LEU A 31 15.223 -4.277 -3.983 1.00 0.51 H new ATOM 494 N THR A 32 11.540 -6.915 -4.264 1.00 0.28 N ATOM 495 CA THR A 32 10.281 -7.683 -4.477 1.00 0.14 C ATOM 496 C THR A 32 9.477 -7.715 -3.176 1.00 0.10 C ATOM 497 O THR A 32 10.005 -7.981 -2.115 1.00 0.20 O ATOM 498 CB THR A 32 10.621 -9.114 -4.901 1.00 0.12 C ATOM 499 OG1 THR A 32 11.307 -9.770 -3.843 1.00 0.45 O ATOM 500 CG2 THR A 32 11.509 -9.082 -6.146 1.00 0.31 C ATOM 0 H THR A 32 12.368 -7.481 -4.078 1.00 0.28 H new ATOM 0 HA THR A 32 9.691 -7.203 -5.258 1.00 0.14 H new ATOM 0 HB THR A 32 9.702 -9.654 -5.128 1.00 0.12 H new ATOM 0 HG1 THR A 32 11.796 -10.541 -4.199 1.00 0.45 H new ATOM 0 HG21 THR A 32 11.750 -10.101 -6.447 1.00 0.31 H new ATOM 0 HG22 THR A 32 10.981 -8.580 -6.957 1.00 0.31 H new ATOM 0 HG23 THR A 32 12.429 -8.542 -5.923 1.00 0.31 H new ATOM 508 N VAL A 33 8.201 -7.444 -3.251 1.00 0.19 N ATOM 509 CA VAL A 33 7.360 -7.458 -2.020 1.00 0.20 C ATOM 510 C VAL A 33 6.686 -8.825 -1.878 1.00 0.12 C ATOM 511 O VAL A 33 6.822 -9.685 -2.723 1.00 0.22 O ATOM 512 CB VAL A 33 6.289 -6.371 -2.124 1.00 0.39 C ATOM 513 CG1 VAL A 33 6.938 -5.054 -2.553 1.00 0.43 C ATOM 514 CG2 VAL A 33 5.242 -6.783 -3.160 1.00 0.49 C ATOM 0 H VAL A 33 7.705 -7.214 -4.112 1.00 0.19 H new ATOM 0 HA VAL A 33 7.987 -7.270 -1.149 1.00 0.20 H new ATOM 0 HB VAL A 33 5.809 -6.241 -1.154 1.00 0.39 H new ATOM 0 HG11 VAL A 33 6.175 -4.279 -2.627 1.00 0.43 H new ATOM 0 HG12 VAL A 33 7.684 -4.759 -1.815 1.00 0.43 H new ATOM 0 HG13 VAL A 33 7.418 -5.184 -3.523 1.00 0.43 H new ATOM 0 HG21 VAL A 33 4.479 -6.008 -3.234 1.00 0.49 H new ATOM 0 HG22 VAL A 33 5.722 -6.914 -4.130 1.00 0.49 H new ATOM 0 HG23 VAL A 33 4.778 -7.721 -2.855 1.00 0.49 H new ATOM 524 N THR A 34 5.960 -9.029 -0.813 1.00 0.10 N ATOM 525 CA THR A 34 5.278 -10.340 -0.617 1.00 0.09 C ATOM 526 C THR A 34 3.859 -10.266 -1.185 1.00 0.14 C ATOM 527 O THR A 34 2.980 -9.658 -0.606 1.00 0.51 O ATOM 528 CB THR A 34 5.213 -10.663 0.877 1.00 0.19 C ATOM 529 OG1 THR A 34 6.485 -11.121 1.317 1.00 0.25 O ATOM 530 CG2 THR A 34 4.165 -11.749 1.123 1.00 0.25 C ATOM 0 H THR A 34 5.810 -8.346 -0.071 1.00 0.10 H new ATOM 0 HA THR A 34 5.836 -11.121 -1.133 1.00 0.09 H new ATOM 0 HB THR A 34 4.938 -9.765 1.430 1.00 0.19 H new ATOM 0 HG1 THR A 34 6.445 -11.327 2.274 1.00 0.25 H new ATOM 0 HG21 THR A 34 4.121 -11.977 2.188 1.00 0.25 H new ATOM 0 HG22 THR A 34 3.190 -11.397 0.787 1.00 0.25 H new ATOM 0 HG23 THR A 34 4.436 -12.648 0.570 1.00 0.25 H new ATOM 538 N ASP A 35 3.629 -10.880 -2.313 1.00 0.25 N ATOM 539 CA ASP A 35 2.266 -10.845 -2.915 1.00 0.17 C ATOM 540 C ASP A 35 1.231 -11.230 -1.858 1.00 0.22 C ATOM 541 O ASP A 35 1.566 -11.699 -0.788 1.00 0.60 O ATOM 542 CB ASP A 35 2.198 -11.834 -4.081 1.00 0.16 C ATOM 543 CG ASP A 35 1.030 -11.466 -4.996 1.00 0.21 C ATOM 544 OD1 ASP A 35 -0.103 -11.641 -4.578 1.00 0.91 O ATOM 545 OD2 ASP A 35 1.288 -11.015 -6.100 1.00 1.16 O ATOM 0 H ASP A 35 4.325 -11.404 -2.843 1.00 0.25 H new ATOM 0 HA ASP A 35 2.055 -9.839 -3.279 1.00 0.17 H new ATOM 0 HB2 ASP A 35 3.133 -11.816 -4.642 1.00 0.16 H new ATOM 0 HB3 ASP A 35 2.072 -12.849 -3.704 1.00 0.16 H new ATOM 550 N ILE A 36 -0.027 -11.035 -2.149 1.00 0.30 N ATOM 551 CA ILE A 36 -1.086 -11.389 -1.161 1.00 0.22 C ATOM 552 C ILE A 36 -2.333 -11.874 -1.901 1.00 0.11 C ATOM 553 O ILE A 36 -3.041 -12.748 -1.440 1.00 0.15 O ATOM 554 CB ILE A 36 -1.435 -10.158 -0.322 1.00 0.27 C ATOM 555 CG1 ILE A 36 -1.967 -9.053 -1.239 1.00 0.26 C ATOM 556 CG2 ILE A 36 -0.183 -9.660 0.401 1.00 0.39 C ATOM 557 CD1 ILE A 36 -2.110 -7.755 -0.445 1.00 0.40 C ATOM 0 H ILE A 36 -0.367 -10.646 -3.028 1.00 0.30 H new ATOM 0 HA ILE A 36 -0.722 -12.181 -0.507 1.00 0.22 H new ATOM 0 HB ILE A 36 -2.196 -10.422 0.412 1.00 0.27 H new ATOM 0 HG12 ILE A 36 -1.288 -8.905 -2.079 1.00 0.26 H new ATOM 0 HG13 ILE A 36 -2.931 -9.345 -1.656 1.00 0.26 H new ATOM 0 HG21 ILE A 36 -0.432 -8.783 0.998 1.00 0.39 H new ATOM 0 HG22 ILE A 36 0.198 -10.446 1.052 1.00 0.39 H new ATOM 0 HG23 ILE A 36 0.579 -9.395 -0.332 1.00 0.39 H new ATOM 0 HD11 ILE A 36 -2.489 -6.969 -1.098 1.00 0.40 H new ATOM 0 HD12 ILE A 36 -2.806 -7.908 0.380 1.00 0.40 H new ATOM 0 HD13 ILE A 36 -1.138 -7.461 -0.050 1.00 0.40 H new ATOM 569 N PHE A 37 -2.611 -11.313 -3.047 1.00 0.09 N ATOM 570 CA PHE A 37 -3.814 -11.742 -3.814 1.00 0.17 C ATOM 571 C PHE A 37 -3.545 -13.100 -4.465 1.00 0.24 C ATOM 572 O PHE A 37 -4.450 -13.872 -4.712 1.00 0.50 O ATOM 573 CB PHE A 37 -4.121 -10.708 -4.900 1.00 0.24 C ATOM 574 CG PHE A 37 -4.111 -9.325 -4.297 1.00 0.17 C ATOM 575 CD1 PHE A 37 -5.170 -8.908 -3.481 1.00 0.24 C ATOM 576 CD2 PHE A 37 -3.042 -8.457 -4.554 1.00 0.11 C ATOM 577 CE1 PHE A 37 -5.159 -7.625 -2.922 1.00 0.27 C ATOM 578 CE2 PHE A 37 -3.032 -7.174 -3.995 1.00 0.04 C ATOM 579 CZ PHE A 37 -4.091 -6.758 -3.178 1.00 0.17 C ATOM 0 H PHE A 37 -2.057 -10.577 -3.484 1.00 0.09 H new ATOM 0 HA PHE A 37 -4.666 -11.825 -3.139 1.00 0.17 H new ATOM 0 HB2 PHE A 37 -3.382 -10.773 -5.698 1.00 0.24 H new ATOM 0 HB3 PHE A 37 -5.093 -10.914 -5.348 1.00 0.24 H new ATOM 0 HD1 PHE A 37 -5.995 -9.576 -3.283 1.00 0.24 H new ATOM 0 HD2 PHE A 37 -2.225 -8.778 -5.184 1.00 0.11 H new ATOM 0 HE1 PHE A 37 -5.976 -7.304 -2.292 1.00 0.27 H new ATOM 0 HE2 PHE A 37 -2.208 -6.505 -4.194 1.00 0.04 H new ATOM 0 HZ PHE A 37 -4.083 -5.768 -2.746 1.00 0.17 H new ATOM 589 N ALA A 38 -2.306 -13.399 -4.745 1.00 0.52 N ATOM 590 CA ALA A 38 -1.980 -14.707 -5.380 1.00 0.60 C ATOM 591 C ALA A 38 -2.471 -15.845 -4.483 1.00 0.62 C ATOM 592 O ALA A 38 -2.492 -16.995 -4.877 1.00 1.01 O ATOM 593 CB ALA A 38 -0.466 -14.821 -5.565 1.00 0.63 C ATOM 0 H ALA A 38 -1.506 -12.794 -4.561 1.00 0.52 H new ATOM 0 HA ALA A 38 -2.470 -14.772 -6.351 1.00 0.60 H new ATOM 0 HB1 ALA A 38 -0.227 -15.778 -6.029 1.00 0.63 H new ATOM 0 HB2 ALA A 38 -0.115 -14.010 -6.203 1.00 0.63 H new ATOM 0 HB3 ALA A 38 0.025 -14.756 -4.594 1.00 0.63 H new ATOM 599 N ALA A 39 -2.866 -15.535 -3.278 1.00 0.35 N ATOM 600 CA ALA A 39 -3.356 -16.598 -2.357 1.00 0.34 C ATOM 601 C ALA A 39 -4.438 -16.023 -1.442 1.00 0.42 C ATOM 602 O ALA A 39 -4.157 -15.519 -0.373 1.00 1.19 O ATOM 603 CB ALA A 39 -2.191 -17.113 -1.507 1.00 0.55 C ATOM 0 H ALA A 39 -2.870 -14.591 -2.892 1.00 0.35 H new ATOM 0 HA ALA A 39 -3.773 -17.419 -2.940 1.00 0.34 H new ATOM 0 HB1 ALA A 39 -2.549 -17.891 -0.833 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -1.419 -17.524 -2.158 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -1.775 -16.291 -0.924 1.00 0.55 H new ATOM 609 N SER A 40 -5.675 -16.094 -1.854 1.00 0.37 N ATOM 610 CA SER A 40 -6.777 -15.552 -1.011 1.00 0.52 C ATOM 611 C SER A 40 -8.024 -16.421 -1.183 1.00 0.49 C ATOM 612 O SER A 40 -8.495 -16.633 -2.282 1.00 0.39 O ATOM 613 CB SER A 40 -7.091 -14.118 -1.441 1.00 0.70 C ATOM 614 OG SER A 40 -6.389 -13.212 -0.600 1.00 2.03 O ATOM 0 H SER A 40 -5.970 -16.505 -2.740 1.00 0.37 H new ATOM 0 HA SER A 40 -6.471 -15.558 0.035 1.00 0.52 H new ATOM 0 HB2 SER A 40 -6.801 -13.966 -2.481 1.00 0.70 H new ATOM 0 HB3 SER A 40 -8.164 -13.934 -1.379 1.00 0.70 H new ATOM 0 HG SER A 40 -6.812 -13.192 0.284 1.00 2.03 H new ATOM 620 N LYS A 41 -8.559 -16.926 -0.102 1.00 0.72 N ATOM 621 CA LYS A 41 -9.777 -17.783 -0.193 1.00 0.89 C ATOM 622 C LYS A 41 -10.731 -17.433 0.950 1.00 1.09 C ATOM 623 O LYS A 41 -11.713 -16.742 0.762 1.00 1.39 O ATOM 624 CB LYS A 41 -9.371 -19.256 -0.082 1.00 0.71 C ATOM 625 CG LYS A 41 -8.947 -19.774 -1.458 1.00 1.14 C ATOM 626 CD LYS A 41 -7.935 -20.910 -1.288 1.00 0.79 C ATOM 627 CE LYS A 41 -6.521 -20.331 -1.231 1.00 0.86 C ATOM 628 NZ LYS A 41 -6.220 -19.629 -2.510 1.00 2.04 N ATOM 0 H LYS A 41 -8.203 -16.781 0.843 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.273 -17.611 -1.148 1.00 0.89 H new ATOM 0 HB2 LYS A 41 -8.551 -19.366 0.628 1.00 0.71 H new ATOM 0 HB3 LYS A 41 -10.204 -19.846 0.300 1.00 0.71 H new ATOM 0 HG2 LYS A 41 -9.818 -20.129 -2.009 1.00 1.14 H new ATOM 0 HG3 LYS A 41 -8.507 -18.966 -2.043 1.00 1.14 H new ATOM 0 HD2 LYS A 41 -8.148 -21.467 -0.376 1.00 0.79 H new ATOM 0 HD3 LYS A 41 -8.018 -21.612 -2.117 1.00 0.79 H new ATOM 0 HE2 LYS A 41 -6.434 -19.638 -0.394 1.00 0.86 H new ATOM 0 HE3 LYS A 41 -5.797 -21.128 -1.062 1.00 0.86 H new ATOM 0 HZ1 LYS A 41 -5.219 -19.769 -2.756 1.00 2.04 H new ATOM 0 HZ2 LYS A 41 -6.820 -20.015 -3.267 1.00 2.04 H new ATOM 0 HZ3 LYS A 41 -6.411 -18.612 -2.401 1.00 2.04 H new ATOM 642 N ASP A 42 -10.453 -17.904 2.135 1.00 1.02 N ATOM 643 CA ASP A 42 -11.345 -17.597 3.288 1.00 1.30 C ATOM 644 C ASP A 42 -11.109 -16.157 3.746 1.00 1.08 C ATOM 645 O ASP A 42 -11.753 -15.670 4.654 1.00 1.18 O ATOM 646 CB ASP A 42 -11.038 -18.555 4.441 1.00 1.59 C ATOM 647 CG ASP A 42 -12.267 -19.422 4.725 1.00 1.70 C ATOM 648 OD1 ASP A 42 -12.432 -20.421 4.047 1.00 1.65 O ATOM 649 OD2 ASP A 42 -13.020 -19.070 5.618 1.00 2.60 O ATOM 0 H ASP A 42 -9.646 -18.488 2.354 1.00 1.02 H new ATOM 0 HA ASP A 42 -12.385 -17.716 2.984 1.00 1.30 H new ATOM 0 HB2 ASP A 42 -10.186 -19.185 4.187 1.00 1.59 H new ATOM 0 HB3 ASP A 42 -10.763 -17.992 5.333 1.00 1.59 H new ATOM 654 N THR A 43 -10.189 -15.470 3.125 1.00 0.82 N ATOM 655 CA THR A 43 -9.913 -14.061 3.526 1.00 0.65 C ATOM 656 C THR A 43 -10.791 -13.116 2.704 1.00 0.49 C ATOM 657 O THR A 43 -10.778 -13.139 1.489 1.00 0.66 O ATOM 658 CB THR A 43 -8.439 -13.739 3.271 1.00 0.63 C ATOM 659 OG1 THR A 43 -8.192 -13.733 1.872 1.00 0.54 O ATOM 660 CG2 THR A 43 -7.559 -14.795 3.943 1.00 0.61 C ATOM 0 H THR A 43 -9.617 -15.823 2.358 1.00 0.82 H new ATOM 0 HA THR A 43 -10.135 -13.934 4.585 1.00 0.65 H new ATOM 0 HB THR A 43 -8.205 -12.759 3.685 1.00 0.63 H new ATOM 0 HG1 THR A 43 -9.044 -13.688 1.390 1.00 0.54 H new ATOM 0 HG21 THR A 43 -6.510 -14.564 3.760 1.00 0.61 H new ATOM 0 HG22 THR A 43 -7.749 -14.797 5.016 1.00 0.61 H new ATOM 0 HG23 THR A 43 -7.791 -15.777 3.532 1.00 0.61 H new ATOM 668 N THR A 44 -11.556 -12.283 3.357 1.00 0.29 N ATOM 669 CA THR A 44 -12.434 -11.338 2.612 1.00 0.27 C ATOM 670 C THR A 44 -11.684 -10.026 2.373 1.00 0.27 C ATOM 671 O THR A 44 -10.572 -9.843 2.828 1.00 0.42 O ATOM 672 CB THR A 44 -13.696 -11.062 3.431 1.00 0.38 C ATOM 673 OG1 THR A 44 -13.497 -9.902 4.228 1.00 1.25 O ATOM 674 CG2 THR A 44 -13.994 -12.260 4.335 1.00 0.63 C ATOM 0 H THR A 44 -11.610 -12.217 4.373 1.00 0.29 H new ATOM 0 HA THR A 44 -12.711 -11.778 1.654 1.00 0.27 H new ATOM 0 HB THR A 44 -14.538 -10.901 2.758 1.00 0.38 H new ATOM 0 HG1 THR A 44 -14.305 -9.723 4.752 1.00 1.25 H new ATOM 0 HG21 THR A 44 -14.894 -12.061 4.918 1.00 0.63 H new ATOM 0 HG22 THR A 44 -14.147 -13.149 3.723 1.00 0.63 H new ATOM 0 HG23 THR A 44 -13.154 -12.425 5.010 1.00 0.63 H new ATOM 682 N GLU A 45 -12.283 -9.111 1.660 1.00 0.53 N ATOM 683 CA GLU A 45 -11.604 -7.812 1.393 1.00 0.52 C ATOM 684 C GLU A 45 -11.025 -7.261 2.698 1.00 0.45 C ATOM 685 O GLU A 45 -9.906 -6.788 2.741 1.00 0.37 O ATOM 686 CB GLU A 45 -12.615 -6.816 0.822 1.00 0.65 C ATOM 687 CG GLU A 45 -13.770 -7.578 0.169 1.00 0.57 C ATOM 688 CD GLU A 45 -14.538 -6.640 -0.764 1.00 1.44 C ATOM 689 OE1 GLU A 45 -14.537 -5.448 -0.505 1.00 2.13 O ATOM 690 OE2 GLU A 45 -15.113 -7.130 -1.722 1.00 2.10 O ATOM 0 H GLU A 45 -13.213 -9.207 1.251 1.00 0.53 H new ATOM 0 HA GLU A 45 -10.799 -7.964 0.674 1.00 0.52 H new ATOM 0 HB2 GLU A 45 -12.993 -6.171 1.615 1.00 0.65 H new ATOM 0 HB3 GLU A 45 -12.131 -6.170 0.089 1.00 0.65 H new ATOM 0 HG2 GLU A 45 -13.386 -8.431 -0.391 1.00 0.57 H new ATOM 0 HG3 GLU A 45 -14.438 -7.973 0.935 1.00 0.57 H new ATOM 697 N LYS A 46 -11.777 -7.316 3.762 1.00 0.56 N ATOM 698 CA LYS A 46 -11.269 -6.796 5.062 1.00 0.59 C ATOM 699 C LYS A 46 -9.898 -7.409 5.357 1.00 0.47 C ATOM 700 O LYS A 46 -8.900 -6.719 5.419 1.00 0.47 O ATOM 701 CB LYS A 46 -12.245 -7.170 6.179 1.00 0.73 C ATOM 702 CG LYS A 46 -13.604 -6.519 5.909 1.00 0.93 C ATOM 703 CD LYS A 46 -13.670 -5.163 6.614 1.00 1.42 C ATOM 704 CE LYS A 46 -14.086 -5.364 8.072 1.00 0.33 C ATOM 705 NZ LYS A 46 -15.568 -5.251 8.185 1.00 0.99 N ATOM 0 H LYS A 46 -12.722 -7.699 3.787 1.00 0.56 H new ATOM 0 HA LYS A 46 -11.178 -5.711 5.007 1.00 0.59 H new ATOM 0 HB2 LYS A 46 -12.353 -8.253 6.234 1.00 0.73 H new ATOM 0 HB3 LYS A 46 -11.856 -6.839 7.142 1.00 0.73 H new ATOM 0 HG2 LYS A 46 -13.751 -6.391 4.837 1.00 0.93 H new ATOM 0 HG3 LYS A 46 -14.406 -7.165 6.265 1.00 0.93 H new ATOM 0 HD2 LYS A 46 -12.699 -4.669 6.567 1.00 1.42 H new ATOM 0 HD3 LYS A 46 -14.383 -4.513 6.108 1.00 1.42 H new ATOM 0 HE2 LYS A 46 -13.757 -6.342 8.424 1.00 0.33 H new ATOM 0 HE3 LYS A 46 -13.604 -4.619 8.705 1.00 0.33 H new ATOM 0 HZ1 LYS A 46 -15.852 -5.388 9.176 1.00 0.99 H new ATOM 0 HZ2 LYS A 46 -15.870 -4.309 7.865 1.00 0.99 H new ATOM 0 HZ3 LYS A 46 -16.018 -5.978 7.593 1.00 0.99 H new ATOM 719 N GLU A 47 -9.842 -8.699 5.539 1.00 0.41 N ATOM 720 CA GLU A 47 -8.536 -9.355 5.830 1.00 0.43 C ATOM 721 C GLU A 47 -7.558 -9.073 4.686 1.00 0.27 C ATOM 722 O GLU A 47 -6.357 -9.081 4.869 1.00 0.38 O ATOM 723 CB GLU A 47 -8.742 -10.865 5.964 1.00 0.51 C ATOM 724 CG GLU A 47 -9.544 -11.159 7.232 1.00 0.78 C ATOM 725 CD GLU A 47 -10.118 -12.576 7.157 1.00 1.25 C ATOM 726 OE1 GLU A 47 -9.426 -13.497 7.554 1.00 1.35 O ATOM 727 OE2 GLU A 47 -11.242 -12.714 6.702 1.00 2.41 O ATOM 0 H GLU A 47 -10.644 -9.328 5.499 1.00 0.41 H new ATOM 0 HA GLU A 47 -8.130 -8.960 6.761 1.00 0.43 H new ATOM 0 HB2 GLU A 47 -9.268 -11.250 5.091 1.00 0.51 H new ATOM 0 HB3 GLU A 47 -7.778 -11.372 6.005 1.00 0.51 H new ATOM 0 HG2 GLU A 47 -8.905 -11.060 8.110 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -10.351 -10.434 7.341 1.00 0.78 H new ATOM 734 N THR A 48 -8.063 -8.825 3.509 1.00 0.07 N ATOM 735 CA THR A 48 -7.160 -8.544 2.357 1.00 0.17 C ATOM 736 C THR A 48 -6.420 -7.227 2.597 1.00 0.17 C ATOM 737 O THR A 48 -5.208 -7.164 2.533 1.00 0.26 O ATOM 738 CB THR A 48 -7.988 -8.438 1.074 1.00 0.29 C ATOM 739 OG1 THR A 48 -9.003 -9.431 1.085 1.00 0.18 O ATOM 740 CG2 THR A 48 -7.081 -8.644 -0.140 1.00 0.57 C ATOM 0 H THR A 48 -9.060 -8.805 3.295 1.00 0.07 H new ATOM 0 HA THR A 48 -6.437 -9.353 2.257 1.00 0.17 H new ATOM 0 HB THR A 48 -8.446 -7.451 1.017 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.533 -9.348 1.905 1.00 0.18 H new ATOM 0 HG21 THR A 48 -7.672 -8.568 -1.053 1.00 0.57 H new ATOM 0 HG22 THR A 48 -6.303 -7.880 -0.147 1.00 0.57 H new ATOM 0 HG23 THR A 48 -6.620 -9.630 -0.087 1.00 0.57 H new ATOM 748 N PHE A 49 -7.139 -6.173 2.874 1.00 0.23 N ATOM 749 CA PHE A 49 -6.475 -4.862 3.118 1.00 0.31 C ATOM 750 C PHE A 49 -5.514 -4.990 4.302 1.00 0.20 C ATOM 751 O PHE A 49 -4.506 -4.316 4.371 1.00 0.19 O ATOM 752 CB PHE A 49 -7.534 -3.804 3.433 1.00 0.46 C ATOM 753 CG PHE A 49 -8.466 -3.657 2.253 1.00 0.59 C ATOM 754 CD1 PHE A 49 -7.996 -3.101 1.057 1.00 0.66 C ATOM 755 CD2 PHE A 49 -9.798 -4.075 2.354 1.00 0.66 C ATOM 756 CE1 PHE A 49 -8.858 -2.964 -0.037 1.00 0.79 C ATOM 757 CE2 PHE A 49 -10.660 -3.939 1.259 1.00 0.77 C ATOM 758 CZ PHE A 49 -10.190 -3.382 0.064 1.00 0.84 C ATOM 0 H PHE A 49 -8.157 -6.164 2.942 1.00 0.23 H new ATOM 0 HA PHE A 49 -5.919 -4.565 2.229 1.00 0.31 H new ATOM 0 HB2 PHE A 49 -8.097 -4.091 4.321 1.00 0.46 H new ATOM 0 HB3 PHE A 49 -7.056 -2.850 3.653 1.00 0.46 H new ATOM 0 HD1 PHE A 49 -6.968 -2.778 0.979 1.00 0.66 H new ATOM 0 HD2 PHE A 49 -10.161 -4.503 3.277 1.00 0.66 H new ATOM 0 HE1 PHE A 49 -8.495 -2.536 -0.960 1.00 0.79 H new ATOM 0 HE2 PHE A 49 -11.687 -4.264 1.336 1.00 0.77 H new ATOM 0 HZ PHE A 49 -10.855 -3.275 -0.780 1.00 0.84 H new ATOM 768 N CYS A 50 -5.819 -5.850 5.235 1.00 0.17 N ATOM 769 CA CYS A 50 -4.923 -6.020 6.414 1.00 0.21 C ATOM 770 C CYS A 50 -3.602 -6.647 5.964 1.00 0.15 C ATOM 771 O CYS A 50 -2.542 -6.080 6.142 1.00 0.18 O ATOM 772 CB CYS A 50 -5.598 -6.932 7.440 1.00 0.33 C ATOM 773 SG CYS A 50 -4.343 -7.643 8.533 1.00 0.45 S ATOM 0 H CYS A 50 -6.650 -6.442 5.232 1.00 0.17 H new ATOM 0 HA CYS A 50 -4.728 -5.047 6.866 1.00 0.21 H new ATOM 0 HB2 CYS A 50 -6.325 -6.366 8.023 1.00 0.33 H new ATOM 0 HB3 CYS A 50 -6.145 -7.726 6.932 1.00 0.33 H new ATOM 778 N ARG A 51 -3.656 -7.814 5.383 1.00 0.16 N ATOM 779 CA ARG A 51 -2.402 -8.475 4.924 1.00 0.25 C ATOM 780 C ARG A 51 -1.575 -7.483 4.104 1.00 0.25 C ATOM 781 O ARG A 51 -0.379 -7.357 4.285 1.00 0.38 O ATOM 782 CB ARG A 51 -2.753 -9.688 4.058 1.00 0.29 C ATOM 783 CG ARG A 51 -3.492 -10.724 4.904 1.00 0.37 C ATOM 784 CD ARG A 51 -3.956 -11.876 4.011 1.00 0.40 C ATOM 785 NE ARG A 51 -2.783 -12.712 3.630 1.00 0.65 N ATOM 786 CZ ARG A 51 -2.965 -13.903 3.127 1.00 0.83 C ATOM 787 NH1 ARG A 51 -4.174 -14.362 2.960 1.00 0.48 N ATOM 788 NH2 ARG A 51 -1.937 -14.634 2.793 1.00 1.69 N ATOM 0 H ARG A 51 -4.513 -8.338 5.206 1.00 0.16 H new ATOM 0 HA ARG A 51 -1.824 -8.802 5.789 1.00 0.25 H new ATOM 0 HB2 ARG A 51 -3.374 -9.380 3.217 1.00 0.29 H new ATOM 0 HB3 ARG A 51 -1.846 -10.125 3.641 1.00 0.29 H new ATOM 0 HG2 ARG A 51 -2.838 -11.100 5.690 1.00 0.37 H new ATOM 0 HG3 ARG A 51 -4.349 -10.263 5.396 1.00 0.37 H new ATOM 0 HD2 ARG A 51 -4.694 -12.483 4.536 1.00 0.40 H new ATOM 0 HD3 ARG A 51 -4.443 -11.485 3.118 1.00 0.40 H new ATOM 0 HE ARG A 51 -1.837 -12.354 3.762 1.00 0.65 H new ATOM 0 HH11 ARG A 51 -4.977 -13.791 3.222 1.00 0.48 H new ATOM 0 HH12 ARG A 51 -4.317 -15.292 2.567 1.00 0.48 H new ATOM 0 HH21 ARG A 51 -0.991 -14.275 2.925 1.00 1.69 H new ATOM 0 HH22 ARG A 51 -2.079 -15.564 2.400 1.00 1.69 H new ATOM 802 N ALA A 52 -2.201 -6.778 3.203 1.00 0.21 N ATOM 803 CA ALA A 52 -1.449 -5.794 2.373 1.00 0.30 C ATOM 804 C ALA A 52 -0.651 -4.864 3.287 1.00 0.31 C ATOM 805 O ALA A 52 0.520 -4.622 3.073 1.00 0.40 O ATOM 806 CB ALA A 52 -2.435 -4.971 1.540 1.00 0.33 C ATOM 0 H ALA A 52 -3.200 -6.840 3.005 1.00 0.21 H new ATOM 0 HA ALA A 52 -0.767 -6.323 1.708 1.00 0.30 H new ATOM 0 HB1 ALA A 52 -1.886 -4.251 0.933 1.00 0.33 H new ATOM 0 HB2 ALA A 52 -3.005 -5.635 0.890 1.00 0.33 H new ATOM 0 HB3 ALA A 52 -3.117 -4.440 2.204 1.00 0.33 H new ATOM 812 N ALA A 53 -1.275 -4.339 4.306 1.00 0.23 N ATOM 813 CA ALA A 53 -0.550 -3.425 5.232 1.00 0.23 C ATOM 814 C ALA A 53 0.652 -4.156 5.832 1.00 0.23 C ATOM 815 O ALA A 53 1.740 -3.622 5.909 1.00 0.24 O ATOM 816 CB ALA A 53 -1.493 -2.984 6.355 1.00 0.23 C ATOM 0 H ALA A 53 -2.255 -4.504 4.537 1.00 0.23 H new ATOM 0 HA ALA A 53 -0.205 -2.549 4.683 1.00 0.23 H new ATOM 0 HB1 ALA A 53 -0.963 -2.315 7.033 1.00 0.23 H new ATOM 0 HB2 ALA A 53 -2.350 -2.463 5.927 1.00 0.23 H new ATOM 0 HB3 ALA A 53 -1.838 -3.859 6.905 1.00 0.23 H new ATOM 822 N THR A 54 0.464 -5.375 6.258 1.00 0.22 N ATOM 823 CA THR A 54 1.598 -6.139 6.851 1.00 0.23 C ATOM 824 C THR A 54 2.815 -6.039 5.930 1.00 0.23 C ATOM 825 O THR A 54 3.923 -5.810 6.370 1.00 0.23 O ATOM 826 CB THR A 54 1.196 -7.608 7.010 1.00 0.22 C ATOM 827 OG1 THR A 54 -0.052 -7.684 7.684 1.00 0.21 O ATOM 828 CG2 THR A 54 2.263 -8.346 7.820 1.00 0.22 C ATOM 0 H THR A 54 -0.425 -5.874 6.221 1.00 0.22 H new ATOM 0 HA THR A 54 1.846 -5.723 7.828 1.00 0.23 H new ATOM 0 HB THR A 54 1.107 -8.070 6.027 1.00 0.22 H new ATOM 0 HG1 THR A 54 -0.312 -8.623 7.785 1.00 0.21 H new ATOM 0 HG21 THR A 54 1.976 -9.391 7.933 1.00 0.22 H new ATOM 0 HG22 THR A 54 3.220 -8.286 7.301 1.00 0.22 H new ATOM 0 HG23 THR A 54 2.355 -7.887 8.804 1.00 0.22 H new ATOM 836 N VAL A 55 2.616 -6.210 4.651 1.00 0.23 N ATOM 837 CA VAL A 55 3.760 -6.123 3.701 1.00 0.23 C ATOM 838 C VAL A 55 4.320 -4.699 3.707 1.00 0.22 C ATOM 839 O VAL A 55 5.469 -4.474 4.034 1.00 0.23 O ATOM 840 CB VAL A 55 3.282 -6.477 2.292 1.00 0.24 C ATOM 841 CG1 VAL A 55 4.445 -6.346 1.308 1.00 0.20 C ATOM 842 CG2 VAL A 55 2.763 -7.916 2.278 1.00 0.29 C ATOM 0 H VAL A 55 1.711 -6.406 4.224 1.00 0.23 H new ATOM 0 HA VAL A 55 4.539 -6.822 4.006 1.00 0.23 H new ATOM 0 HB VAL A 55 2.482 -5.797 1.999 1.00 0.24 H new ATOM 0 HG11 VAL A 55 4.103 -6.599 0.304 1.00 0.20 H new ATOM 0 HG12 VAL A 55 4.816 -5.321 1.318 1.00 0.20 H new ATOM 0 HG13 VAL A 55 5.246 -7.025 1.600 1.00 0.20 H new ATOM 0 HG21 VAL A 55 2.422 -8.170 1.274 1.00 0.29 H new ATOM 0 HG22 VAL A 55 3.564 -8.595 2.572 1.00 0.29 H new ATOM 0 HG23 VAL A 55 1.933 -8.010 2.978 1.00 0.29 H new ATOM 852 N LEU A 56 3.517 -3.735 3.349 1.00 0.22 N ATOM 853 CA LEU A 56 4.002 -2.327 3.334 1.00 0.21 C ATOM 854 C LEU A 56 4.737 -2.030 4.644 1.00 0.23 C ATOM 855 O LEU A 56 5.659 -1.242 4.685 1.00 0.23 O ATOM 856 CB LEU A 56 2.811 -1.375 3.192 1.00 0.21 C ATOM 857 CG LEU A 56 1.982 -1.771 1.969 1.00 0.28 C ATOM 858 CD1 LEU A 56 0.790 -0.821 1.831 1.00 0.21 C ATOM 859 CD2 LEU A 56 2.849 -1.682 0.711 1.00 0.44 C ATOM 0 H LEU A 56 2.545 -3.862 3.066 1.00 0.22 H new ATOM 0 HA LEU A 56 4.681 -2.186 2.493 1.00 0.21 H new ATOM 0 HB2 LEU A 56 2.194 -1.412 4.090 1.00 0.21 H new ATOM 0 HB3 LEU A 56 3.163 -0.349 3.089 1.00 0.21 H new ATOM 0 HG LEU A 56 1.623 -2.793 2.092 1.00 0.28 H new ATOM 0 HD11 LEU A 56 0.199 -1.103 0.960 1.00 0.21 H new ATOM 0 HD12 LEU A 56 0.170 -0.883 2.725 1.00 0.21 H new ATOM 0 HD13 LEU A 56 1.151 0.200 1.710 1.00 0.21 H new ATOM 0 HD21 LEU A 56 2.257 -1.964 -0.160 1.00 0.44 H new ATOM 0 HD22 LEU A 56 3.209 -0.661 0.589 1.00 0.44 H new ATOM 0 HD23 LEU A 56 3.699 -2.358 0.806 1.00 0.44 H new ATOM 871 N ARG A 57 4.337 -2.657 5.714 1.00 0.25 N ATOM 872 CA ARG A 57 5.015 -2.410 7.017 1.00 0.27 C ATOM 873 C ARG A 57 6.471 -2.870 6.929 1.00 0.28 C ATOM 874 O ARG A 57 7.388 -2.076 6.991 1.00 0.30 O ATOM 875 CB ARG A 57 4.298 -3.191 8.122 1.00 0.28 C ATOM 876 CG ARG A 57 4.673 -2.606 9.485 1.00 0.61 C ATOM 877 CD ARG A 57 4.825 -3.738 10.503 1.00 1.39 C ATOM 878 NE ARG A 57 5.117 -3.162 11.845 1.00 1.66 N ATOM 879 CZ ARG A 57 4.994 -3.902 12.914 1.00 2.05 C ATOM 880 NH1 ARG A 57 4.616 -5.147 12.805 1.00 2.25 N ATOM 881 NH2 ARG A 57 5.249 -3.398 14.090 1.00 2.52 N ATOM 0 H ARG A 57 3.571 -3.329 5.743 1.00 0.25 H new ATOM 0 HA ARG A 57 4.984 -1.345 7.247 1.00 0.27 H new ATOM 0 HB2 ARG A 57 3.219 -3.140 7.977 1.00 0.28 H new ATOM 0 HB3 ARG A 57 4.576 -4.244 8.077 1.00 0.28 H new ATOM 0 HG2 ARG A 57 5.604 -2.045 9.408 1.00 0.61 H new ATOM 0 HG3 ARG A 57 3.906 -1.906 9.816 1.00 0.61 H new ATOM 0 HD2 ARG A 57 3.912 -4.332 10.541 1.00 1.39 H new ATOM 0 HD3 ARG A 57 5.629 -4.408 10.200 1.00 1.39 H new ATOM 0 HE ARG A 57 5.413 -2.190 11.929 1.00 1.66 H new ATOM 0 HH11 ARG A 57 4.417 -5.541 11.885 1.00 2.25 H new ATOM 0 HH12 ARG A 57 4.520 -5.726 13.639 1.00 2.25 H new ATOM 0 HH21 ARG A 57 5.545 -2.425 14.175 1.00 2.52 H new ATOM 0 HH22 ARG A 57 5.153 -3.976 14.925 1.00 2.52 H new ATOM 895 N GLN A 58 6.690 -4.149 6.786 1.00 0.27 N ATOM 896 CA GLN A 58 8.087 -4.661 6.697 1.00 0.28 C ATOM 897 C GLN A 58 8.772 -4.085 5.455 1.00 0.28 C ATOM 898 O GLN A 58 9.933 -4.341 5.201 1.00 0.30 O ATOM 899 CB GLN A 58 8.063 -6.189 6.601 1.00 0.26 C ATOM 900 CG GLN A 58 7.161 -6.614 5.441 1.00 0.19 C ATOM 901 CD GLN A 58 7.056 -8.139 5.406 1.00 0.73 C ATOM 902 OE1 GLN A 58 7.223 -8.793 6.417 1.00 1.56 O ATOM 903 NE2 GLN A 58 6.786 -8.737 4.279 1.00 1.16 N ATOM 0 H GLN A 58 5.962 -4.861 6.727 1.00 0.27 H new ATOM 0 HA GLN A 58 8.639 -4.357 7.586 1.00 0.28 H new ATOM 0 HB2 GLN A 58 9.073 -6.570 6.449 1.00 0.26 H new ATOM 0 HB3 GLN A 58 7.698 -6.617 7.535 1.00 0.26 H new ATOM 0 HG2 GLN A 58 6.171 -6.174 5.557 1.00 0.19 H new ATOM 0 HG3 GLN A 58 7.566 -6.245 4.498 1.00 0.19 H new ATOM 0 HE21 GLN A 58 6.646 -8.188 3.431 1.00 1.16 H new ATOM 0 HE22 GLN A 58 6.715 -9.754 4.246 1.00 1.16 H new ATOM 912 N PHE A 59 8.066 -3.310 4.676 1.00 0.26 N ATOM 913 CA PHE A 59 8.686 -2.726 3.452 1.00 0.26 C ATOM 914 C PHE A 59 9.428 -1.436 3.811 1.00 0.29 C ATOM 915 O PHE A 59 10.642 -1.390 3.819 1.00 0.31 O ATOM 916 CB PHE A 59 7.597 -2.418 2.422 1.00 0.24 C ATOM 917 CG PHE A 59 8.242 -2.022 1.115 1.00 0.28 C ATOM 918 CD1 PHE A 59 8.706 -3.007 0.235 1.00 0.30 C ATOM 919 CD2 PHE A 59 8.373 -0.668 0.782 1.00 0.29 C ATOM 920 CE1 PHE A 59 9.304 -2.639 -0.976 1.00 0.33 C ATOM 921 CE2 PHE A 59 8.970 -0.300 -0.429 1.00 0.33 C ATOM 922 CZ PHE A 59 9.435 -1.285 -1.308 1.00 0.35 C ATOM 0 H PHE A 59 7.091 -3.057 4.833 1.00 0.26 H new ATOM 0 HA PHE A 59 9.392 -3.443 3.032 1.00 0.26 H new ATOM 0 HB2 PHE A 59 6.961 -3.291 2.277 1.00 0.24 H new ATOM 0 HB3 PHE A 59 6.956 -1.613 2.783 1.00 0.24 H new ATOM 0 HD1 PHE A 59 8.603 -4.051 0.491 1.00 0.30 H new ATOM 0 HD2 PHE A 59 8.013 0.092 1.460 1.00 0.29 H new ATOM 0 HE1 PHE A 59 9.664 -3.399 -1.654 1.00 0.33 H new ATOM 0 HE2 PHE A 59 9.072 0.744 -0.685 1.00 0.33 H new ATOM 0 HZ PHE A 59 9.895 -1.001 -2.243 1.00 0.35 H new ATOM 932 N TYR A 60 8.710 -0.384 4.100 1.00 0.29 N ATOM 933 CA TYR A 60 9.382 0.901 4.448 1.00 0.31 C ATOM 934 C TYR A 60 9.963 0.819 5.861 1.00 0.31 C ATOM 935 O TYR A 60 10.596 1.743 6.332 1.00 0.28 O ATOM 936 CB TYR A 60 8.367 2.047 4.377 1.00 0.32 C ATOM 937 CG TYR A 60 7.313 1.862 5.442 1.00 0.30 C ATOM 938 CD1 TYR A 60 7.578 2.238 6.764 1.00 0.30 C ATOM 939 CD2 TYR A 60 6.070 1.314 5.105 1.00 0.28 C ATOM 940 CE1 TYR A 60 6.597 2.067 7.750 1.00 0.29 C ATOM 941 CE2 TYR A 60 5.090 1.142 6.091 1.00 0.26 C ATOM 942 CZ TYR A 60 5.355 1.519 7.413 1.00 0.27 C ATOM 943 OH TYR A 60 4.388 1.350 8.385 1.00 0.26 O ATOM 0 H TYR A 60 7.690 -0.359 4.110 1.00 0.29 H new ATOM 0 HA TYR A 60 10.189 1.085 3.739 1.00 0.31 H new ATOM 0 HB2 TYR A 60 8.873 3.002 4.515 1.00 0.32 H new ATOM 0 HB3 TYR A 60 7.901 2.072 3.392 1.00 0.32 H new ATOM 0 HD1 TYR A 60 8.538 2.660 7.024 1.00 0.30 H new ATOM 0 HD2 TYR A 60 5.866 1.024 4.085 1.00 0.28 H new ATOM 0 HE1 TYR A 60 6.800 2.358 8.770 1.00 0.29 H new ATOM 0 HE2 TYR A 60 4.131 0.719 5.832 1.00 0.26 H new ATOM 0 HH TYR A 60 3.508 1.570 8.013 1.00 0.26 H new ATOM 953 N SER A 61 9.759 -0.275 6.541 1.00 0.34 N ATOM 954 CA SER A 61 10.307 -0.404 7.921 1.00 0.34 C ATOM 955 C SER A 61 11.688 -1.060 7.863 1.00 0.35 C ATOM 956 O SER A 61 12.599 -0.673 8.568 1.00 0.38 O ATOM 957 CB SER A 61 9.369 -1.267 8.767 1.00 0.29 C ATOM 958 OG SER A 61 8.074 -0.680 8.776 1.00 0.29 O ATOM 0 H SER A 61 9.238 -1.084 6.202 1.00 0.34 H new ATOM 0 HA SER A 61 10.392 0.586 8.370 1.00 0.34 H new ATOM 0 HB2 SER A 61 9.320 -2.278 8.361 1.00 0.29 H new ATOM 0 HB3 SER A 61 9.751 -1.350 9.785 1.00 0.29 H new ATOM 0 HG SER A 61 7.522 -1.095 8.080 1.00 0.29 H new ATOM 964 N HIS A 62 11.851 -2.051 7.030 1.00 0.34 N ATOM 965 CA HIS A 62 13.173 -2.731 6.928 1.00 0.37 C ATOM 966 C HIS A 62 14.028 -2.038 5.865 1.00 0.40 C ATOM 967 O HIS A 62 15.232 -2.194 5.827 1.00 0.73 O ATOM 968 CB HIS A 62 12.963 -4.195 6.538 1.00 0.34 C ATOM 969 CG HIS A 62 12.372 -4.945 7.700 1.00 0.30 C ATOM 970 ND1 HIS A 62 12.596 -6.299 7.897 1.00 1.51 N ATOM 971 CD2 HIS A 62 11.565 -4.544 8.735 1.00 1.17 C ATOM 972 CE1 HIS A 62 11.935 -6.661 9.011 1.00 1.07 C ATOM 973 NE2 HIS A 62 11.290 -5.629 9.563 1.00 0.84 N ATOM 0 H HIS A 62 11.125 -2.419 6.415 1.00 0.34 H new ATOM 0 HA HIS A 62 13.682 -2.679 7.891 1.00 0.37 H new ATOM 0 HB2 HIS A 62 12.301 -4.261 5.675 1.00 0.34 H new ATOM 0 HB3 HIS A 62 13.912 -4.644 6.247 1.00 0.34 H new ATOM 0 HD2 HIS A 62 11.199 -3.539 8.885 1.00 1.17 H new ATOM 0 HE1 HIS A 62 11.927 -7.664 9.411 1.00 1.07 H new ATOM 0 HE2 HIS A 62 10.719 -5.635 10.408 1.00 0.84 H new ATOM 981 N HIS A 63 13.416 -1.278 4.998 1.00 0.14 N ATOM 982 CA HIS A 63 14.197 -0.581 3.938 1.00 0.16 C ATOM 983 C HIS A 63 14.583 0.820 4.417 1.00 0.11 C ATOM 984 O HIS A 63 15.725 1.223 4.329 1.00 0.12 O ATOM 985 CB HIS A 63 13.348 -0.470 2.670 1.00 0.20 C ATOM 986 CG HIS A 63 13.012 -1.848 2.169 1.00 0.20 C ATOM 987 ND1 HIS A 63 13.940 -2.878 2.162 1.00 0.45 N ATOM 988 CD2 HIS A 63 11.855 -2.383 1.657 1.00 0.09 C ATOM 989 CE1 HIS A 63 13.333 -3.968 1.660 1.00 0.46 C ATOM 990 NE2 HIS A 63 12.061 -3.721 1.336 1.00 0.20 N ATOM 0 H HIS A 63 12.410 -1.110 4.978 1.00 0.14 H new ATOM 0 HA HIS A 63 15.102 -1.150 3.724 1.00 0.16 H new ATOM 0 HB2 HIS A 63 12.434 0.085 2.879 1.00 0.20 H new ATOM 0 HB3 HIS A 63 13.890 0.085 1.904 1.00 0.20 H new ATOM 0 HD2 HIS A 63 10.927 -1.847 1.524 1.00 0.09 H new ATOM 0 HE1 HIS A 63 13.815 -4.926 1.534 1.00 0.46 H new ATOM 0 HE2 HIS A 63 11.385 -4.374 0.938 1.00 0.20 H new ATOM 998 N GLU A 64 13.639 1.567 4.925 1.00 0.08 N ATOM 999 CA GLU A 64 13.956 2.941 5.407 1.00 0.07 C ATOM 1000 C GLU A 64 15.212 2.896 6.281 1.00 0.07 C ATOM 1001 O GLU A 64 15.856 3.901 6.509 1.00 0.20 O ATOM 1002 CB GLU A 64 12.783 3.477 6.228 1.00 0.10 C ATOM 1003 CG GLU A 64 13.138 4.858 6.785 1.00 0.22 C ATOM 1004 CD GLU A 64 13.588 4.720 8.242 1.00 0.98 C ATOM 1005 OE1 GLU A 64 14.182 3.704 8.563 1.00 1.99 O ATOM 1006 OE2 GLU A 64 13.332 5.633 9.009 1.00 1.26 O ATOM 0 H GLU A 64 12.664 1.285 5.026 1.00 0.08 H new ATOM 0 HA GLU A 64 14.130 3.595 4.553 1.00 0.07 H new ATOM 0 HB2 GLU A 64 11.890 3.543 5.606 1.00 0.10 H new ATOM 0 HB3 GLU A 64 12.554 2.792 7.044 1.00 0.10 H new ATOM 0 HG2 GLU A 64 13.931 5.309 6.189 1.00 0.22 H new ATOM 0 HG3 GLU A 64 12.275 5.521 6.721 1.00 0.22 H new ATOM 1013 N LYS A 65 15.564 1.739 6.771 1.00 0.16 N ATOM 1014 CA LYS A 65 16.778 1.632 7.627 1.00 0.14 C ATOM 1015 C LYS A 65 17.990 1.299 6.755 1.00 0.27 C ATOM 1016 O LYS A 65 19.105 1.674 7.055 1.00 0.33 O ATOM 1017 CB LYS A 65 16.575 0.526 8.664 1.00 0.22 C ATOM 1018 CG LYS A 65 15.398 0.885 9.572 1.00 0.31 C ATOM 1019 CD LYS A 65 15.230 -0.194 10.644 1.00 0.93 C ATOM 1020 CE LYS A 65 14.059 0.171 11.558 1.00 0.80 C ATOM 1021 NZ LYS A 65 14.156 -0.610 12.823 1.00 1.65 N ATOM 0 H LYS A 65 15.063 0.864 6.615 1.00 0.16 H new ATOM 0 HA LYS A 65 16.948 2.580 8.137 1.00 0.14 H new ATOM 0 HB2 LYS A 65 16.386 -0.424 8.165 1.00 0.22 H new ATOM 0 HB3 LYS A 65 17.480 0.399 9.258 1.00 0.22 H new ATOM 0 HG2 LYS A 65 15.569 1.854 10.041 1.00 0.31 H new ATOM 0 HG3 LYS A 65 14.485 0.973 8.983 1.00 0.31 H new ATOM 0 HD2 LYS A 65 15.051 -1.162 10.176 1.00 0.93 H new ATOM 0 HD3 LYS A 65 16.146 -0.287 11.228 1.00 0.93 H new ATOM 0 HE2 LYS A 65 14.072 1.239 11.775 1.00 0.80 H new ATOM 0 HE3 LYS A 65 13.114 -0.041 11.058 1.00 0.80 H new ATOM 0 HZ1 LYS A 65 13.360 -0.363 13.445 1.00 1.65 H new ATOM 0 HZ2 LYS A 65 14.123 -1.627 12.607 1.00 1.65 H new ATOM 0 HZ3 LYS A 65 15.052 -0.386 13.301 1.00 1.65 H new ATOM 1035 N ASP A 66 17.778 0.595 5.675 1.00 0.35 N ATOM 1036 CA ASP A 66 18.919 0.238 4.785 1.00 0.49 C ATOM 1037 C ASP A 66 19.270 1.438 3.903 1.00 0.48 C ATOM 1038 O ASP A 66 18.418 2.226 3.541 1.00 0.39 O ATOM 1039 CB ASP A 66 18.523 -0.946 3.900 1.00 0.56 C ATOM 1040 CG ASP A 66 19.782 -1.703 3.471 1.00 1.11 C ATOM 1041 OD1 ASP A 66 20.613 -1.963 4.324 1.00 1.44 O ATOM 1042 OD2 ASP A 66 19.891 -2.010 2.295 1.00 1.85 O ATOM 0 H ASP A 66 16.866 0.253 5.372 1.00 0.35 H new ATOM 0 HA ASP A 66 19.783 -0.034 5.391 1.00 0.49 H new ATOM 0 HB2 ASP A 66 17.852 -1.612 4.443 1.00 0.56 H new ATOM 0 HB3 ASP A 66 17.981 -0.593 3.023 1.00 0.56 H new ATOM 1047 N THR A 67 20.519 1.585 3.554 1.00 0.60 N ATOM 1048 CA THR A 67 20.923 2.735 2.696 1.00 0.64 C ATOM 1049 C THR A 67 20.885 2.313 1.226 1.00 0.65 C ATOM 1050 O THR A 67 21.784 2.604 0.464 1.00 0.74 O ATOM 1051 CB THR A 67 22.342 3.173 3.065 1.00 0.83 C ATOM 1052 OG1 THR A 67 23.220 2.062 2.959 1.00 0.58 O ATOM 1053 CG2 THR A 67 22.358 3.703 4.499 1.00 1.33 C ATOM 0 H THR A 67 21.277 0.959 3.826 1.00 0.60 H new ATOM 0 HA THR A 67 20.234 3.565 2.853 1.00 0.64 H new ATOM 0 HB THR A 67 22.668 3.961 2.386 1.00 0.83 H new ATOM 0 HG1 THR A 67 24.130 2.341 3.193 1.00 0.58 H new ATOM 0 HG21 THR A 67 23.369 4.015 4.760 1.00 1.33 H new ATOM 0 HG22 THR A 67 21.683 4.555 4.579 1.00 1.33 H new ATOM 0 HG23 THR A 67 22.033 2.917 5.181 1.00 1.33 H new ATOM 1061 N ARG A 68 19.848 1.630 0.821 1.00 0.59 N ATOM 1062 CA ARG A 68 19.753 1.192 -0.600 1.00 0.63 C ATOM 1063 C ARG A 68 18.990 2.243 -1.407 1.00 0.60 C ATOM 1064 O ARG A 68 19.498 2.797 -2.362 1.00 0.66 O ATOM 1065 CB ARG A 68 19.010 -0.144 -0.673 1.00 0.64 C ATOM 1066 CG ARG A 68 19.993 -1.290 -0.424 1.00 0.87 C ATOM 1067 CD ARG A 68 20.658 -1.690 -1.743 1.00 1.68 C ATOM 1068 NE ARG A 68 22.024 -2.219 -1.470 1.00 2.10 N ATOM 1069 CZ ARG A 68 22.660 -2.888 -2.391 1.00 2.50 C ATOM 1070 NH1 ARG A 68 22.101 -3.093 -3.552 1.00 2.56 N ATOM 1071 NH2 ARG A 68 23.856 -3.352 -2.153 1.00 3.02 N ATOM 0 H ARG A 68 19.063 1.357 1.413 1.00 0.59 H new ATOM 0 HA ARG A 68 20.755 1.074 -1.012 1.00 0.63 H new ATOM 0 HB2 ARG A 68 18.211 -0.169 0.068 1.00 0.64 H new ATOM 0 HB3 ARG A 68 18.542 -0.259 -1.651 1.00 0.64 H new ATOM 0 HG2 ARG A 68 20.750 -0.983 0.298 1.00 0.87 H new ATOM 0 HG3 ARG A 68 19.470 -2.145 0.005 1.00 0.87 H new ATOM 0 HD2 ARG A 68 20.058 -2.446 -2.250 1.00 1.68 H new ATOM 0 HD3 ARG A 68 20.716 -0.829 -2.409 1.00 1.68 H new ATOM 0 HE ARG A 68 22.462 -2.058 -0.563 1.00 2.10 H new ATOM 0 HH11 ARG A 68 21.166 -2.730 -3.739 1.00 2.56 H new ATOM 0 HH12 ARG A 68 22.599 -3.616 -4.272 1.00 2.56 H new ATOM 0 HH21 ARG A 68 24.294 -3.192 -1.246 1.00 3.02 H new ATOM 0 HH22 ARG A 68 24.353 -3.875 -2.874 1.00 3.02 H new ATOM 1085 N CYS A 69 17.773 2.524 -1.031 1.00 0.52 N ATOM 1086 CA CYS A 69 16.976 3.539 -1.775 1.00 0.50 C ATOM 1087 C CYS A 69 17.391 4.942 -1.327 1.00 0.53 C ATOM 1088 O CYS A 69 16.736 5.919 -1.628 1.00 0.50 O ATOM 1089 CB CYS A 69 15.488 3.326 -1.489 1.00 0.47 C ATOM 1090 SG CYS A 69 15.156 1.553 -1.337 1.00 0.40 S ATOM 0 H CYS A 69 17.295 2.094 -0.239 1.00 0.52 H new ATOM 0 HA CYS A 69 17.158 3.434 -2.845 1.00 0.50 H new ATOM 0 HB2 CYS A 69 15.205 3.841 -0.571 1.00 0.47 H new ATOM 0 HB3 CYS A 69 14.887 3.753 -2.292 1.00 0.47 H new ATOM 1095 N LEU A 70 18.478 5.047 -0.612 1.00 0.60 N ATOM 1096 CA LEU A 70 18.940 6.386 -0.144 1.00 0.63 C ATOM 1097 C LEU A 70 19.959 6.945 -1.139 1.00 0.62 C ATOM 1098 O LEU A 70 19.732 7.954 -1.776 1.00 0.73 O ATOM 1099 CB LEU A 70 19.597 6.247 1.234 1.00 0.62 C ATOM 1100 CG LEU A 70 18.525 6.296 2.331 1.00 0.84 C ATOM 1101 CD1 LEU A 70 19.156 5.925 3.673 1.00 0.79 C ATOM 1102 CD2 LEU A 70 17.927 7.707 2.429 1.00 1.07 C ATOM 0 H LEU A 70 19.067 4.263 -0.331 1.00 0.60 H new ATOM 0 HA LEU A 70 18.088 7.062 -0.073 1.00 0.63 H new ATOM 0 HB2 LEU A 70 20.146 5.307 1.292 1.00 0.62 H new ATOM 0 HB3 LEU A 70 20.320 7.048 1.384 1.00 0.62 H new ATOM 0 HG LEU A 70 17.733 5.589 2.082 1.00 0.84 H new ATOM 0 HD11 LEU A 70 18.396 5.959 4.454 1.00 0.79 H new ATOM 0 HD12 LEU A 70 19.571 4.919 3.614 1.00 0.79 H new ATOM 0 HD13 LEU A 70 19.951 6.632 3.909 1.00 0.79 H new ATOM 0 HD21 LEU A 70 17.168 7.727 3.211 1.00 1.07 H new ATOM 0 HD22 LEU A 70 18.715 8.420 2.670 1.00 1.07 H new ATOM 0 HD23 LEU A 70 17.473 7.977 1.476 1.00 1.07 H new ATOM 1114 N GLY A 71 21.083 6.295 -1.278 1.00 0.61 N ATOM 1115 CA GLY A 71 22.117 6.788 -2.232 1.00 0.62 C ATOM 1116 C GLY A 71 22.820 8.011 -1.640 1.00 0.77 C ATOM 1117 O GLY A 71 22.512 8.447 -0.548 1.00 1.42 O ATOM 0 H GLY A 71 21.330 5.444 -0.772 1.00 0.61 H new ATOM 0 HA2 GLY A 71 22.844 6.001 -2.435 1.00 0.62 H new ATOM 0 HA3 GLY A 71 21.654 7.048 -3.184 1.00 0.62 H new ATOM 1121 N ALA A 72 23.763 8.566 -2.353 1.00 0.72 N ATOM 1122 CA ALA A 72 24.491 9.761 -1.837 1.00 0.79 C ATOM 1123 C ALA A 72 23.874 11.030 -2.431 1.00 0.69 C ATOM 1124 O ALA A 72 23.970 12.101 -1.865 1.00 0.90 O ATOM 1125 CB ALA A 72 25.964 9.675 -2.243 1.00 1.09 C ATOM 0 H ALA A 72 24.061 8.242 -3.273 1.00 0.72 H new ATOM 0 HA ALA A 72 24.413 9.792 -0.750 1.00 0.79 H new ATOM 0 HB1 ALA A 72 26.497 10.548 -1.866 1.00 1.09 H new ATOM 0 HB2 ALA A 72 26.405 8.771 -1.823 1.00 1.09 H new ATOM 0 HB3 ALA A 72 26.041 9.644 -3.330 1.00 1.09 H new ATOM 1131 N THR A 73 23.242 10.917 -3.567 1.00 0.56 N ATOM 1132 CA THR A 73 22.620 12.116 -4.197 1.00 0.80 C ATOM 1133 C THR A 73 21.818 12.887 -3.147 1.00 0.66 C ATOM 1134 O THR A 73 21.230 12.310 -2.254 1.00 0.61 O ATOM 1135 CB THR A 73 21.687 11.673 -5.326 1.00 0.93 C ATOM 1136 OG1 THR A 73 21.456 10.274 -5.226 1.00 0.97 O ATOM 1137 CG2 THR A 73 22.332 11.990 -6.677 1.00 1.19 C ATOM 0 H THR A 73 23.129 10.046 -4.086 1.00 0.56 H new ATOM 0 HA THR A 73 23.401 12.759 -4.602 1.00 0.80 H new ATOM 0 HB THR A 73 20.739 12.205 -5.245 1.00 0.93 H new ATOM 0 HG1 THR A 73 20.857 9.989 -5.947 1.00 0.97 H new ATOM 0 HG21 THR A 73 21.667 11.674 -7.481 1.00 1.19 H new ATOM 0 HG22 THR A 73 22.509 13.063 -6.753 1.00 1.19 H new ATOM 0 HG23 THR A 73 23.280 11.459 -6.761 1.00 1.19 H new ATOM 1145 N ALA A 74 21.791 14.188 -3.245 1.00 0.59 N ATOM 1146 CA ALA A 74 21.028 14.994 -2.252 1.00 0.46 C ATOM 1147 C ALA A 74 19.551 15.030 -2.652 1.00 0.35 C ATOM 1148 O ALA A 74 18.670 14.994 -1.816 1.00 0.19 O ATOM 1149 CB ALA A 74 21.582 16.420 -2.219 1.00 0.55 C ATOM 0 H ALA A 74 22.264 14.727 -3.970 1.00 0.59 H new ATOM 0 HA ALA A 74 21.127 14.543 -1.265 1.00 0.46 H new ATOM 0 HB1 ALA A 74 21.024 17.010 -1.492 1.00 0.55 H new ATOM 0 HB2 ALA A 74 22.634 16.395 -1.935 1.00 0.55 H new ATOM 0 HB3 ALA A 74 21.483 16.872 -3.206 1.00 0.55 H new ATOM 1155 N GLN A 75 19.272 15.103 -3.925 1.00 0.52 N ATOM 1156 CA GLN A 75 17.853 15.141 -4.376 1.00 0.53 C ATOM 1157 C GLN A 75 17.199 13.782 -4.118 1.00 0.45 C ATOM 1158 O GLN A 75 16.033 13.697 -3.791 1.00 0.41 O ATOM 1159 CB GLN A 75 17.801 15.456 -5.873 1.00 0.74 C ATOM 1160 CG GLN A 75 18.891 14.668 -6.600 1.00 0.78 C ATOM 1161 CD GLN A 75 20.086 15.582 -6.876 1.00 1.38 C ATOM 1162 OE1 GLN A 75 20.689 15.513 -7.929 1.00 1.10 O ATOM 1163 NE2 GLN A 75 20.457 16.443 -5.967 1.00 2.85 N ATOM 0 H GLN A 75 19.966 15.138 -4.672 1.00 0.52 H new ATOM 0 HA GLN A 75 17.317 15.913 -3.824 1.00 0.53 H new ATOM 0 HB2 GLN A 75 16.821 15.198 -6.276 1.00 0.74 H new ATOM 0 HB3 GLN A 75 17.941 16.525 -6.035 1.00 0.74 H new ATOM 0 HG2 GLN A 75 19.203 13.817 -5.995 1.00 0.78 H new ATOM 0 HG3 GLN A 75 18.502 14.268 -7.536 1.00 0.78 H new ATOM 0 HE21 GLN A 75 19.951 16.501 -5.083 1.00 2.85 H new ATOM 0 HE22 GLN A 75 21.253 17.057 -6.141 1.00 2.85 H new ATOM 1172 N GLN A 76 17.942 12.718 -4.262 1.00 0.47 N ATOM 1173 CA GLN A 76 17.361 11.367 -4.024 1.00 0.42 C ATOM 1174 C GLN A 76 17.170 11.153 -2.521 1.00 0.30 C ATOM 1175 O GLN A 76 16.302 10.416 -2.096 1.00 0.22 O ATOM 1176 CB GLN A 76 18.309 10.300 -4.575 1.00 0.50 C ATOM 1177 CG GLN A 76 17.726 8.911 -4.309 1.00 0.33 C ATOM 1178 CD GLN A 76 18.166 7.951 -5.416 1.00 0.32 C ATOM 1179 OE1 GLN A 76 19.147 7.249 -5.273 1.00 1.18 O ATOM 1180 NE2 GLN A 76 17.476 7.890 -6.522 1.00 0.97 N ATOM 0 H GLN A 76 18.925 12.727 -4.534 1.00 0.47 H new ATOM 0 HA GLN A 76 16.397 11.291 -4.528 1.00 0.42 H new ATOM 0 HB2 GLN A 76 18.455 10.446 -5.645 1.00 0.50 H new ATOM 0 HB3 GLN A 76 19.288 10.391 -4.105 1.00 0.50 H new ATOM 0 HG2 GLN A 76 18.063 8.543 -3.340 1.00 0.33 H new ATOM 0 HG3 GLN A 76 16.638 8.963 -4.270 1.00 0.33 H new ATOM 0 HE21 GLN A 76 16.652 8.479 -6.642 1.00 0.97 H new ATOM 0 HE22 GLN A 76 17.760 7.253 -7.266 1.00 0.97 H new ATOM 1189 N PHE A 77 17.974 11.790 -1.714 1.00 0.30 N ATOM 1190 CA PHE A 77 17.836 11.621 -0.240 1.00 0.23 C ATOM 1191 C PHE A 77 16.477 12.159 0.209 1.00 0.10 C ATOM 1192 O PHE A 77 15.687 11.456 0.808 1.00 0.18 O ATOM 1193 CB PHE A 77 18.951 12.396 0.467 1.00 0.26 C ATOM 1194 CG PHE A 77 18.811 12.227 1.961 1.00 0.24 C ATOM 1195 CD1 PHE A 77 19.362 11.106 2.593 1.00 0.35 C ATOM 1196 CD2 PHE A 77 18.131 13.192 2.713 1.00 0.17 C ATOM 1197 CE1 PHE A 77 19.232 10.949 3.978 1.00 0.39 C ATOM 1198 CE2 PHE A 77 18.001 13.035 4.099 1.00 0.19 C ATOM 1199 CZ PHE A 77 18.552 11.914 4.732 1.00 0.31 C ATOM 0 H PHE A 77 18.720 12.419 -2.011 1.00 0.30 H new ATOM 0 HA PHE A 77 17.910 10.564 0.014 1.00 0.23 H new ATOM 0 HB2 PHE A 77 19.925 12.034 0.139 1.00 0.26 H new ATOM 0 HB3 PHE A 77 18.898 13.452 0.203 1.00 0.26 H new ATOM 0 HD1 PHE A 77 19.887 10.362 2.012 1.00 0.35 H new ATOM 0 HD2 PHE A 77 17.707 14.057 2.225 1.00 0.17 H new ATOM 0 HE1 PHE A 77 19.656 10.084 4.465 1.00 0.39 H new ATOM 0 HE2 PHE A 77 17.476 13.779 4.680 1.00 0.19 H new ATOM 0 HZ PHE A 77 18.453 11.794 5.801 1.00 0.31 H new ATOM 1209 N HIS A 78 16.196 13.400 -0.076 1.00 0.16 N ATOM 1210 CA HIS A 78 14.886 13.982 0.334 1.00 0.25 C ATOM 1211 C HIS A 78 13.759 13.277 -0.422 1.00 0.29 C ATOM 1212 O HIS A 78 12.776 12.860 0.157 1.00 0.31 O ATOM 1213 CB HIS A 78 14.866 15.476 0.005 1.00 0.35 C ATOM 1214 CG HIS A 78 13.953 16.188 0.966 1.00 0.72 C ATOM 1215 ND1 HIS A 78 14.130 17.521 1.302 1.00 1.19 N ATOM 1216 CD2 HIS A 78 12.852 15.767 1.669 1.00 0.73 C ATOM 1217 CE1 HIS A 78 13.159 17.852 2.172 1.00 1.46 C ATOM 1218 NE2 HIS A 78 12.352 16.819 2.430 1.00 1.20 N ATOM 0 H HIS A 78 16.817 14.037 -0.575 1.00 0.16 H new ATOM 0 HA HIS A 78 14.746 13.846 1.406 1.00 0.25 H new ATOM 0 HB2 HIS A 78 15.873 15.887 0.071 1.00 0.35 H new ATOM 0 HB3 HIS A 78 14.525 15.629 -1.019 1.00 0.35 H new ATOM 0 HD2 HIS A 78 12.437 14.771 1.636 1.00 0.73 H new ATOM 0 HE1 HIS A 78 13.046 18.833 2.609 1.00 1.46 H new ATOM 0 HE2 HIS A 78 11.543 16.805 3.051 1.00 1.20 H new ATOM 1226 N ARG A 79 13.893 13.140 -1.714 1.00 0.30 N ATOM 1227 CA ARG A 79 12.829 12.462 -2.506 1.00 0.35 C ATOM 1228 C ARG A 79 12.523 11.098 -1.884 1.00 0.30 C ATOM 1229 O ARG A 79 11.403 10.627 -1.915 1.00 0.44 O ATOM 1230 CB ARG A 79 13.309 12.272 -3.946 1.00 0.40 C ATOM 1231 CG ARG A 79 12.113 11.950 -4.845 1.00 0.51 C ATOM 1232 CD ARG A 79 12.597 11.742 -6.281 1.00 0.37 C ATOM 1233 NE ARG A 79 13.504 12.859 -6.667 1.00 1.01 N ATOM 1234 CZ ARG A 79 14.266 12.746 -7.721 1.00 1.34 C ATOM 1235 NH1 ARG A 79 14.230 11.657 -8.438 1.00 0.82 N ATOM 1236 NH2 ARG A 79 15.061 13.725 -8.059 1.00 2.32 N ATOM 0 H ARG A 79 14.693 13.469 -2.254 1.00 0.30 H new ATOM 0 HA ARG A 79 11.926 13.073 -2.503 1.00 0.35 H new ATOM 0 HB2 ARG A 79 13.808 13.176 -4.296 1.00 0.40 H new ATOM 0 HB3 ARG A 79 14.040 11.465 -3.993 1.00 0.40 H new ATOM 0 HG2 ARG A 79 11.606 11.054 -4.487 1.00 0.51 H new ATOM 0 HG3 ARG A 79 11.387 12.763 -4.808 1.00 0.51 H new ATOM 0 HD2 ARG A 79 13.120 10.789 -6.365 1.00 0.37 H new ATOM 0 HD3 ARG A 79 11.746 11.700 -6.960 1.00 0.37 H new ATOM 0 HE ARG A 79 13.530 13.712 -6.108 1.00 1.01 H new ATOM 0 HH11 ARG A 79 13.606 10.894 -8.175 1.00 0.82 H new ATOM 0 HH12 ARG A 79 14.825 11.569 -9.262 1.00 0.82 H new ATOM 0 HH21 ARG A 79 15.087 14.578 -7.500 1.00 2.32 H new ATOM 0 HH22 ARG A 79 15.657 13.637 -8.882 1.00 2.32 H new ATOM 1250 N HIS A 80 13.511 10.458 -1.320 1.00 0.10 N ATOM 1251 CA HIS A 80 13.276 9.125 -0.698 1.00 0.06 C ATOM 1252 C HIS A 80 12.429 9.294 0.565 1.00 0.02 C ATOM 1253 O HIS A 80 11.455 8.598 0.768 1.00 0.08 O ATOM 1254 CB HIS A 80 14.619 8.491 -0.329 1.00 0.08 C ATOM 1255 CG HIS A 80 14.393 7.367 0.645 1.00 0.08 C ATOM 1256 ND1 HIS A 80 14.225 6.054 0.233 1.00 0.17 N ATOM 1257 CD2 HIS A 80 14.305 7.343 2.015 1.00 0.17 C ATOM 1258 CE1 HIS A 80 14.047 5.302 1.334 1.00 0.18 C ATOM 1259 NE2 HIS A 80 14.086 6.039 2.448 1.00 0.15 N ATOM 0 H HIS A 80 14.470 10.801 -1.263 1.00 0.10 H new ATOM 0 HA HIS A 80 12.752 8.482 -1.405 1.00 0.06 H new ATOM 0 HB2 HIS A 80 15.114 8.116 -1.225 1.00 0.08 H new ATOM 0 HB3 HIS A 80 15.278 9.240 0.110 1.00 0.08 H new ATOM 0 HD2 HIS A 80 14.393 8.206 2.659 1.00 0.17 H new ATOM 0 HE1 HIS A 80 13.892 4.233 1.319 1.00 0.18 H new ATOM 0 HE2 HIS A 80 13.978 5.715 3.409 1.00 0.15 H new ATOM 1267 N LYS A 81 12.791 10.215 1.415 1.00 0.06 N ATOM 1268 CA LYS A 81 12.006 10.429 2.663 1.00 0.07 C ATOM 1269 C LYS A 81 10.540 10.688 2.305 1.00 0.08 C ATOM 1270 O LYS A 81 9.644 10.046 2.814 1.00 0.16 O ATOM 1271 CB LYS A 81 12.566 11.636 3.419 1.00 0.11 C ATOM 1272 CG LYS A 81 14.038 11.388 3.756 1.00 0.23 C ATOM 1273 CD LYS A 81 14.419 12.192 5.000 1.00 0.73 C ATOM 1274 CE LYS A 81 14.166 13.679 4.745 1.00 2.65 C ATOM 1275 NZ LYS A 81 14.962 14.491 5.709 1.00 3.14 N ATOM 0 H LYS A 81 13.597 10.829 1.299 1.00 0.06 H new ATOM 0 HA LYS A 81 12.076 9.542 3.292 1.00 0.07 H new ATOM 0 HB2 LYS A 81 12.467 12.536 2.813 1.00 0.11 H new ATOM 0 HB3 LYS A 81 11.996 11.803 4.333 1.00 0.11 H new ATOM 0 HG2 LYS A 81 14.208 10.326 3.930 1.00 0.23 H new ATOM 0 HG3 LYS A 81 14.668 11.678 2.915 1.00 0.23 H new ATOM 0 HD2 LYS A 81 13.835 11.855 5.857 1.00 0.73 H new ATOM 0 HD3 LYS A 81 15.468 12.028 5.245 1.00 0.73 H new ATOM 0 HE2 LYS A 81 14.442 13.936 3.722 1.00 2.65 H new ATOM 0 HE3 LYS A 81 13.105 13.902 4.854 1.00 2.65 H new ATOM 0 HZ1 LYS A 81 14.412 15.325 5.997 1.00 3.14 H new ATOM 0 HZ2 LYS A 81 15.184 13.916 6.547 1.00 3.14 H new ATOM 0 HZ3 LYS A 81 15.846 14.799 5.256 1.00 3.14 H new ATOM 1289 N GLN A 82 10.291 11.625 1.430 1.00 0.19 N ATOM 1290 CA GLN A 82 8.884 11.923 1.040 1.00 0.22 C ATOM 1291 C GLN A 82 8.167 10.619 0.686 1.00 0.16 C ATOM 1292 O GLN A 82 6.998 10.446 0.970 1.00 0.16 O ATOM 1293 CB GLN A 82 8.878 12.855 -0.173 1.00 0.30 C ATOM 1294 CG GLN A 82 8.216 14.181 0.205 1.00 1.04 C ATOM 1295 CD GLN A 82 8.237 15.125 -0.999 1.00 0.83 C ATOM 1296 OE1 GLN A 82 7.962 16.301 -0.870 1.00 1.69 O ATOM 1297 NE2 GLN A 82 8.555 14.655 -2.175 1.00 1.06 N ATOM 0 H GLN A 82 11.000 12.196 0.970 1.00 0.19 H new ATOM 0 HA GLN A 82 8.370 12.406 1.871 1.00 0.22 H new ATOM 0 HB2 GLN A 82 9.898 13.030 -0.515 1.00 0.30 H new ATOM 0 HB3 GLN A 82 8.340 12.390 -0.999 1.00 0.30 H new ATOM 0 HG2 GLN A 82 7.189 14.008 0.527 1.00 1.04 H new ATOM 0 HG3 GLN A 82 8.741 14.635 1.045 1.00 1.04 H new ATOM 0 HE21 GLN A 82 8.786 13.668 -2.284 1.00 1.06 H new ATOM 0 HE22 GLN A 82 8.572 15.275 -2.984 1.00 1.06 H new ATOM 1306 N LEU A 83 8.857 9.700 0.068 1.00 0.18 N ATOM 1307 CA LEU A 83 8.214 8.409 -0.303 1.00 0.13 C ATOM 1308 C LEU A 83 7.785 7.674 0.970 1.00 0.05 C ATOM 1309 O LEU A 83 6.629 7.352 1.153 1.00 0.02 O ATOM 1310 CB LEU A 83 9.215 7.548 -1.079 1.00 0.16 C ATOM 1311 CG LEU A 83 8.461 6.570 -1.985 1.00 0.19 C ATOM 1312 CD1 LEU A 83 9.466 5.731 -2.777 1.00 0.25 C ATOM 1313 CD2 LEU A 83 7.592 5.646 -1.130 1.00 0.16 C ATOM 0 H LEU A 83 9.838 9.788 -0.196 1.00 0.18 H new ATOM 0 HA LEU A 83 7.340 8.599 -0.926 1.00 0.13 H new ATOM 0 HB2 LEU A 83 9.868 8.183 -1.677 1.00 0.16 H new ATOM 0 HB3 LEU A 83 9.852 6.999 -0.385 1.00 0.16 H new ATOM 0 HG LEU A 83 7.828 7.129 -2.674 1.00 0.19 H new ATOM 0 HD11 LEU A 83 8.930 5.035 -3.422 1.00 0.25 H new ATOM 0 HD12 LEU A 83 10.087 6.387 -3.387 1.00 0.25 H new ATOM 0 HD13 LEU A 83 10.098 5.173 -2.086 1.00 0.25 H new ATOM 0 HD21 LEU A 83 7.056 4.950 -1.776 1.00 0.16 H new ATOM 0 HD22 LEU A 83 8.224 5.087 -0.440 1.00 0.16 H new ATOM 0 HD23 LEU A 83 6.876 6.241 -0.564 1.00 0.16 H new ATOM 1325 N ILE A 84 8.711 7.408 1.851 1.00 0.04 N ATOM 1326 CA ILE A 84 8.359 6.696 3.113 1.00 0.06 C ATOM 1327 C ILE A 84 7.117 7.340 3.732 1.00 0.14 C ATOM 1328 O ILE A 84 6.230 6.662 4.213 1.00 0.21 O ATOM 1329 CB ILE A 84 9.528 6.794 4.097 1.00 0.07 C ATOM 1330 CG1 ILE A 84 10.840 6.486 3.370 1.00 0.04 C ATOM 1331 CG2 ILE A 84 9.327 5.790 5.234 1.00 0.11 C ATOM 1332 CD1 ILE A 84 10.693 5.195 2.561 1.00 0.08 C ATOM 0 H ILE A 84 9.696 7.653 1.751 1.00 0.04 H new ATOM 0 HA ILE A 84 8.155 5.648 2.894 1.00 0.06 H new ATOM 0 HB ILE A 84 9.570 7.803 4.507 1.00 0.07 H new ATOM 0 HG12 ILE A 84 11.103 7.312 2.709 1.00 0.04 H new ATOM 0 HG13 ILE A 84 11.651 6.384 4.091 1.00 0.04 H new ATOM 0 HG21 ILE A 84 10.160 5.861 5.934 1.00 0.11 H new ATOM 0 HG22 ILE A 84 8.396 6.012 5.755 1.00 0.11 H new ATOM 0 HG23 ILE A 84 9.282 4.781 4.825 1.00 0.11 H new ATOM 0 HD11 ILE A 84 11.629 4.980 2.046 1.00 0.08 H new ATOM 0 HD12 ILE A 84 10.451 4.371 3.232 1.00 0.08 H new ATOM 0 HD13 ILE A 84 9.894 5.313 1.829 1.00 0.08 H new ATOM 1344 N ARG A 85 7.048 8.642 3.729 1.00 0.17 N ATOM 1345 CA ARG A 85 5.863 9.327 4.319 1.00 0.24 C ATOM 1346 C ARG A 85 4.590 8.837 3.627 1.00 0.25 C ATOM 1347 O ARG A 85 3.609 8.516 4.267 1.00 0.29 O ATOM 1348 CB ARG A 85 6.000 10.839 4.125 1.00 0.29 C ATOM 1349 CG ARG A 85 6.775 11.440 5.300 1.00 0.65 C ATOM 1350 CD ARG A 85 5.801 11.818 6.416 1.00 1.37 C ATOM 1351 NE ARG A 85 6.567 12.246 7.621 1.00 1.69 N ATOM 1352 CZ ARG A 85 5.963 12.889 8.583 1.00 2.29 C ATOM 1353 NH1 ARG A 85 4.690 13.156 8.491 1.00 3.10 N ATOM 1354 NH2 ARG A 85 6.635 13.264 9.637 1.00 2.63 N ATOM 0 H ARG A 85 7.761 9.262 3.344 1.00 0.17 H new ATOM 0 HA ARG A 85 5.806 9.100 5.384 1.00 0.24 H new ATOM 0 HB2 ARG A 85 6.517 11.050 3.189 1.00 0.29 H new ATOM 0 HB3 ARG A 85 5.014 11.297 4.054 1.00 0.29 H new ATOM 0 HG2 ARG A 85 7.508 10.723 5.670 1.00 0.65 H new ATOM 0 HG3 ARG A 85 7.328 12.320 4.972 1.00 0.65 H new ATOM 0 HD2 ARG A 85 5.146 12.623 6.084 1.00 1.37 H new ATOM 0 HD3 ARG A 85 5.164 10.968 6.660 1.00 1.37 H new ATOM 0 HE ARG A 85 7.563 12.037 7.694 1.00 1.69 H new ATOM 0 HH11 ARG A 85 4.166 12.862 7.667 1.00 3.10 H new ATOM 0 HH12 ARG A 85 4.219 13.658 9.243 1.00 3.10 H new ATOM 0 HH21 ARG A 85 7.631 13.055 9.708 1.00 2.63 H new ATOM 0 HH22 ARG A 85 6.165 13.767 10.390 1.00 2.63 H new ATOM 1368 N PHE A 86 4.598 8.778 2.324 1.00 0.22 N ATOM 1369 CA PHE A 86 3.387 8.309 1.592 1.00 0.24 C ATOM 1370 C PHE A 86 3.023 6.897 2.054 1.00 0.27 C ATOM 1371 O PHE A 86 1.879 6.600 2.334 1.00 0.36 O ATOM 1372 CB PHE A 86 3.673 8.296 0.089 1.00 0.18 C ATOM 1373 CG PHE A 86 3.369 9.658 -0.492 1.00 0.17 C ATOM 1374 CD1 PHE A 86 2.042 10.078 -0.633 1.00 0.22 C ATOM 1375 CD2 PHE A 86 4.416 10.498 -0.890 1.00 0.18 C ATOM 1376 CE1 PHE A 86 1.761 11.339 -1.172 1.00 0.25 C ATOM 1377 CE2 PHE A 86 4.135 11.759 -1.429 1.00 0.16 C ATOM 1378 CZ PHE A 86 2.807 12.180 -1.570 1.00 0.19 C ATOM 0 H PHE A 86 5.390 9.034 1.734 1.00 0.22 H new ATOM 0 HA PHE A 86 2.556 8.983 1.799 1.00 0.24 H new ATOM 0 HB2 PHE A 86 4.716 8.036 -0.092 1.00 0.18 H new ATOM 0 HB3 PHE A 86 3.065 7.535 -0.401 1.00 0.18 H new ATOM 0 HD1 PHE A 86 1.235 9.430 -0.326 1.00 0.22 H new ATOM 0 HD2 PHE A 86 5.440 10.173 -0.781 1.00 0.18 H new ATOM 0 HE1 PHE A 86 0.737 11.663 -1.281 1.00 0.25 H new ATOM 0 HE2 PHE A 86 4.942 12.407 -1.736 1.00 0.16 H new ATOM 0 HZ PHE A 86 2.590 13.153 -1.986 1.00 0.19 H new ATOM 1388 N LEU A 87 3.989 6.023 2.138 1.00 0.23 N ATOM 1389 CA LEU A 87 3.696 4.630 2.581 1.00 0.27 C ATOM 1390 C LEU A 87 3.188 4.650 4.025 1.00 0.31 C ATOM 1391 O LEU A 87 2.222 3.995 4.362 1.00 0.44 O ATOM 1392 CB LEU A 87 4.972 3.790 2.500 1.00 0.25 C ATOM 1393 CG LEU A 87 5.650 4.022 1.150 1.00 0.49 C ATOM 1394 CD1 LEU A 87 6.887 3.129 1.037 1.00 0.45 C ATOM 1395 CD2 LEU A 87 4.672 3.681 0.023 1.00 0.83 C ATOM 0 H LEU A 87 4.967 6.213 1.919 1.00 0.23 H new ATOM 0 HA LEU A 87 2.934 4.196 1.934 1.00 0.27 H new ATOM 0 HB2 LEU A 87 5.649 4.059 3.310 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.733 2.734 2.622 1.00 0.25 H new ATOM 0 HG LEU A 87 5.949 5.067 1.070 1.00 0.49 H new ATOM 0 HD11 LEU A 87 7.369 3.296 0.074 1.00 0.45 H new ATOM 0 HD12 LEU A 87 7.585 3.371 1.839 1.00 0.45 H new ATOM 0 HD13 LEU A 87 6.590 2.083 1.118 1.00 0.45 H new ATOM 0 HD21 LEU A 87 5.155 3.846 -0.940 1.00 0.83 H new ATOM 0 HD22 LEU A 87 4.373 2.636 0.104 1.00 0.83 H new ATOM 0 HD23 LEU A 87 3.791 4.318 0.101 1.00 0.83 H new ATOM 1407 N LYS A 88 3.832 5.397 4.879 1.00 0.22 N ATOM 1408 CA LYS A 88 3.386 5.457 6.300 1.00 0.27 C ATOM 1409 C LYS A 88 1.993 6.088 6.371 1.00 0.28 C ATOM 1410 O LYS A 88 1.315 6.005 7.375 1.00 0.25 O ATOM 1411 CB LYS A 88 4.371 6.304 7.108 1.00 0.29 C ATOM 1412 CG LYS A 88 4.820 5.523 8.346 1.00 0.72 C ATOM 1413 CD LYS A 88 5.705 6.416 9.219 1.00 0.65 C ATOM 1414 CE LYS A 88 7.078 5.764 9.389 1.00 0.53 C ATOM 1415 NZ LYS A 88 6.929 4.477 10.124 1.00 1.72 N ATOM 0 H LYS A 88 4.647 5.968 4.655 1.00 0.22 H new ATOM 0 HA LYS A 88 3.350 4.449 6.713 1.00 0.27 H new ATOM 0 HB2 LYS A 88 5.234 6.561 6.494 1.00 0.29 H new ATOM 0 HB3 LYS A 88 3.901 7.241 7.407 1.00 0.29 H new ATOM 0 HG2 LYS A 88 3.951 5.188 8.913 1.00 0.72 H new ATOM 0 HG3 LYS A 88 5.369 4.630 8.047 1.00 0.72 H new ATOM 0 HD2 LYS A 88 5.812 7.399 8.761 1.00 0.65 H new ATOM 0 HD3 LYS A 88 5.239 6.567 10.193 1.00 0.65 H new ATOM 0 HE2 LYS A 88 7.532 5.588 8.414 1.00 0.53 H new ATOM 0 HE3 LYS A 88 7.744 6.432 9.935 1.00 0.53 H new ATOM 0 HZ1 LYS A 88 7.560 3.763 9.706 1.00 1.72 H new ATOM 0 HZ2 LYS A 88 7.179 4.617 11.124 1.00 1.72 H new ATOM 0 HZ3 LYS A 88 5.944 4.151 10.056 1.00 1.72 H new ATOM 1429 N ARG A 89 1.563 6.717 5.312 1.00 0.32 N ATOM 1430 CA ARG A 89 0.214 7.353 5.320 1.00 0.34 C ATOM 1431 C ARG A 89 -0.841 6.315 4.934 1.00 0.35 C ATOM 1432 O ARG A 89 -1.615 5.865 5.756 1.00 0.36 O ATOM 1433 CB ARG A 89 0.188 8.506 4.315 1.00 0.35 C ATOM 1434 CG ARG A 89 -1.184 9.182 4.351 1.00 0.56 C ATOM 1435 CD ARG A 89 -1.009 10.679 4.614 1.00 0.59 C ATOM 1436 NE ARG A 89 -2.336 11.355 4.545 1.00 1.17 N ATOM 1437 CZ ARG A 89 -2.479 12.561 5.022 1.00 1.64 C ATOM 1438 NH1 ARG A 89 -1.462 13.176 5.560 1.00 2.09 N ATOM 1439 NH2 ARG A 89 -3.642 13.151 4.963 1.00 2.47 N ATOM 0 H ARG A 89 2.086 6.818 4.442 1.00 0.32 H new ATOM 0 HA ARG A 89 -0.002 7.736 6.317 1.00 0.34 H new ATOM 0 HB2 ARG A 89 0.968 9.229 4.554 1.00 0.35 H new ATOM 0 HB3 ARG A 89 0.396 8.133 3.312 1.00 0.35 H new ATOM 0 HG2 ARG A 89 -1.703 9.026 3.405 1.00 0.56 H new ATOM 0 HG3 ARG A 89 -1.801 8.735 5.130 1.00 0.56 H new ATOM 0 HD2 ARG A 89 -0.559 10.837 5.594 1.00 0.59 H new ATOM 0 HD3 ARG A 89 -0.330 11.111 3.879 1.00 0.59 H new ATOM 0 HE ARG A 89 -3.132 10.875 4.125 1.00 1.17 H new ATOM 0 HH11 ARG A 89 -0.554 12.714 5.608 1.00 2.09 H new ATOM 0 HH12 ARG A 89 -1.575 14.119 5.933 1.00 2.09 H new ATOM 0 HH21 ARG A 89 -4.438 12.669 4.544 1.00 2.47 H new ATOM 0 HH22 ARG A 89 -3.755 14.094 5.336 1.00 2.47 H new ATOM 1453 N LEU A 90 -0.881 5.930 3.686 1.00 0.36 N ATOM 1454 CA LEU A 90 -1.888 4.924 3.249 1.00 0.37 C ATOM 1455 C LEU A 90 -1.763 3.667 4.114 1.00 0.36 C ATOM 1456 O LEU A 90 -2.727 2.966 4.348 1.00 0.33 O ATOM 1457 CB LEU A 90 -1.642 4.560 1.783 1.00 0.39 C ATOM 1458 CG LEU A 90 -0.232 3.989 1.626 1.00 0.38 C ATOM 1459 CD1 LEU A 90 -0.311 2.471 1.454 1.00 0.39 C ATOM 1460 CD2 LEU A 90 0.434 4.607 0.394 1.00 0.36 C ATOM 0 H LEU A 90 -0.259 6.269 2.952 1.00 0.36 H new ATOM 0 HA LEU A 90 -2.889 5.342 3.357 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -2.380 3.830 1.450 1.00 0.39 H new ATOM 0 HB3 LEU A 90 -1.760 5.442 1.154 1.00 0.39 H new ATOM 0 HG LEU A 90 0.355 4.224 2.514 1.00 0.38 H new ATOM 0 HD11 LEU A 90 0.694 2.065 1.342 1.00 0.39 H new ATOM 0 HD12 LEU A 90 -0.785 2.030 2.331 1.00 0.39 H new ATOM 0 HD13 LEU A 90 -0.898 2.235 0.567 1.00 0.39 H new ATOM 0 HD21 LEU A 90 1.439 4.201 0.281 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -0.154 4.373 -0.493 1.00 0.36 H new ATOM 0 HD23 LEU A 90 0.492 5.689 0.516 1.00 0.36 H new ATOM 1472 N ASP A 91 -0.583 3.376 4.589 1.00 0.42 N ATOM 1473 CA ASP A 91 -0.400 2.166 5.438 1.00 0.41 C ATOM 1474 C ASP A 91 -1.392 2.201 6.602 1.00 0.40 C ATOM 1475 O ASP A 91 -1.916 1.186 7.014 1.00 0.41 O ATOM 1476 CB ASP A 91 1.029 2.139 5.985 1.00 0.39 C ATOM 1477 CG ASP A 91 1.116 1.134 7.135 1.00 0.32 C ATOM 1478 OD1 ASP A 91 0.928 -0.045 6.881 1.00 1.29 O ATOM 1479 OD2 ASP A 91 1.370 1.559 8.250 1.00 0.91 O ATOM 0 H ASP A 91 0.262 3.924 4.426 1.00 0.42 H new ATOM 0 HA ASP A 91 -0.577 1.273 4.839 1.00 0.41 H new ATOM 0 HB2 ASP A 91 1.727 1.864 5.194 1.00 0.39 H new ATOM 0 HB3 ASP A 91 1.315 3.132 6.333 1.00 0.39 H new ATOM 1484 N ARG A 92 -1.654 3.363 7.136 1.00 0.40 N ATOM 1485 CA ARG A 92 -2.612 3.460 8.274 1.00 0.40 C ATOM 1486 C ARG A 92 -4.039 3.552 7.733 1.00 0.41 C ATOM 1487 O ARG A 92 -4.978 3.092 8.351 1.00 0.40 O ATOM 1488 CB ARG A 92 -2.298 4.709 9.099 1.00 0.39 C ATOM 1489 CG ARG A 92 -1.002 4.492 9.885 1.00 0.40 C ATOM 1490 CD ARG A 92 -1.338 4.027 11.303 1.00 0.65 C ATOM 1491 NE ARG A 92 -1.971 5.147 12.055 1.00 1.48 N ATOM 1492 CZ ARG A 92 -2.606 4.908 13.170 1.00 2.17 C ATOM 1493 NH1 ARG A 92 -2.688 3.687 13.625 1.00 2.10 N ATOM 1494 NH2 ARG A 92 -3.161 5.888 13.829 1.00 3.18 N ATOM 0 H ARG A 92 -1.247 4.248 6.834 1.00 0.40 H new ATOM 0 HA ARG A 92 -2.519 2.575 8.904 1.00 0.40 H new ATOM 0 HB2 ARG A 92 -2.197 5.574 8.444 1.00 0.39 H new ATOM 0 HB3 ARG A 92 -3.119 4.921 9.783 1.00 0.39 H new ATOM 0 HG2 ARG A 92 -0.381 3.749 9.385 1.00 0.40 H new ATOM 0 HG3 ARG A 92 -0.426 5.417 9.921 1.00 0.40 H new ATOM 0 HD2 ARG A 92 -2.013 3.172 11.267 1.00 0.65 H new ATOM 0 HD3 ARG A 92 -0.433 3.697 11.813 1.00 0.65 H new ATOM 0 HE ARG A 92 -1.908 6.101 11.698 1.00 1.48 H new ATOM 0 HH11 ARG A 92 -2.256 2.920 13.109 1.00 2.10 H new ATOM 0 HH12 ARG A 92 -3.184 3.500 14.496 1.00 2.10 H new ATOM 0 HH21 ARG A 92 -3.099 6.842 13.473 1.00 3.18 H new ATOM 0 HH22 ARG A 92 -3.657 5.700 14.700 1.00 3.18 H new ATOM 1508 N ASN A 93 -4.211 4.144 6.584 1.00 0.44 N ATOM 1509 CA ASN A 93 -5.578 4.265 6.004 1.00 0.45 C ATOM 1510 C ASN A 93 -6.183 2.871 5.829 1.00 0.45 C ATOM 1511 O ASN A 93 -7.251 2.580 6.331 1.00 0.46 O ATOM 1512 CB ASN A 93 -5.496 4.962 4.644 1.00 0.49 C ATOM 1513 CG ASN A 93 -4.816 6.322 4.807 1.00 0.49 C ATOM 1514 OD1 ASN A 93 -4.559 7.005 3.837 1.00 1.09 O ATOM 1515 ND2 ASN A 93 -4.512 6.746 6.003 1.00 0.96 N ATOM 0 H ASN A 93 -3.463 4.550 6.021 1.00 0.44 H new ATOM 0 HA ASN A 93 -6.207 4.851 6.674 1.00 0.45 H new ATOM 0 HB2 ASN A 93 -4.936 4.346 3.941 1.00 0.49 H new ATOM 0 HB3 ASN A 93 -6.496 5.091 4.229 1.00 0.49 H new ATOM 0 HD21 ASN A 93 -4.058 7.652 6.123 1.00 0.96 H new ATOM 0 HD22 ASN A 93 -4.728 6.172 6.818 1.00 0.96 H new ATOM 1522 N LEU A 94 -5.510 2.006 5.121 1.00 0.47 N ATOM 1523 CA LEU A 94 -6.048 0.632 4.916 1.00 0.46 C ATOM 1524 C LEU A 94 -6.375 0.007 6.273 1.00 0.42 C ATOM 1525 O LEU A 94 -7.524 -0.161 6.629 1.00 0.25 O ATOM 1526 CB LEU A 94 -5.002 -0.225 4.199 1.00 0.47 C ATOM 1527 CG LEU A 94 -4.541 0.489 2.926 1.00 0.43 C ATOM 1528 CD1 LEU A 94 -3.494 -0.368 2.211 1.00 0.59 C ATOM 1529 CD2 LEU A 94 -5.738 0.708 1.999 1.00 0.19 C ATOM 0 H LEU A 94 -4.611 2.191 4.676 1.00 0.47 H new ATOM 0 HA LEU A 94 -6.953 0.682 4.310 1.00 0.46 H new ATOM 0 HB2 LEU A 94 -4.151 -0.404 4.856 1.00 0.47 H new ATOM 0 HB3 LEU A 94 -5.423 -1.199 3.950 1.00 0.47 H new ATOM 0 HG LEU A 94 -4.105 1.453 3.190 1.00 0.43 H new ATOM 0 HD11 LEU A 94 -3.165 0.140 1.304 1.00 0.59 H new ATOM 0 HD12 LEU A 94 -2.640 -0.523 2.870 1.00 0.59 H new ATOM 0 HD13 LEU A 94 -3.930 -1.332 1.949 1.00 0.59 H new ATOM 0 HD21 LEU A 94 -5.408 1.216 1.093 1.00 0.19 H new ATOM 0 HD22 LEU A 94 -6.175 -0.255 1.736 1.00 0.19 H new ATOM 0 HD23 LEU A 94 -6.484 1.319 2.507 1.00 0.19 H new ATOM 1541 N TRP A 95 -5.373 -0.341 7.033 1.00 0.59 N ATOM 1542 CA TRP A 95 -5.627 -0.955 8.367 1.00 0.56 C ATOM 1543 C TRP A 95 -6.640 -0.103 9.136 1.00 0.52 C ATOM 1544 O TRP A 95 -7.175 -0.518 10.144 1.00 0.51 O ATOM 1545 CB TRP A 95 -4.318 -1.024 9.155 1.00 0.58 C ATOM 1546 CG TRP A 95 -4.613 -1.324 10.589 1.00 0.34 C ATOM 1547 CD1 TRP A 95 -4.945 -0.404 11.523 1.00 0.33 C ATOM 1548 CD2 TRP A 95 -4.612 -2.615 11.267 1.00 0.27 C ATOM 1549 NE1 TRP A 95 -5.147 -1.046 12.732 1.00 0.25 N ATOM 1550 CE2 TRP A 95 -4.953 -2.409 12.625 1.00 0.20 C ATOM 1551 CE3 TRP A 95 -4.350 -3.929 10.841 1.00 0.47 C ATOM 1552 CZ2 TRP A 95 -5.031 -3.470 13.527 1.00 0.39 C ATOM 1553 CZ3 TRP A 95 -4.428 -4.999 11.747 1.00 0.57 C ATOM 1554 CH2 TRP A 95 -4.768 -4.771 13.087 1.00 0.54 C ATOM 0 H TRP A 95 -4.390 -0.227 6.788 1.00 0.59 H new ATOM 0 HA TRP A 95 -6.024 -1.961 8.234 1.00 0.56 H new ATOM 0 HB2 TRP A 95 -3.670 -1.795 8.737 1.00 0.58 H new ATOM 0 HB3 TRP A 95 -3.782 -0.078 9.073 1.00 0.58 H new ATOM 0 HD1 TRP A 95 -5.037 0.659 11.353 1.00 0.33 H new ATOM 0 HE1 TRP A 95 -5.407 -0.571 13.596 1.00 0.25 H new ATOM 0 HE3 TRP A 95 -4.087 -4.117 9.810 1.00 0.47 H new ATOM 0 HZ2 TRP A 95 -5.293 -3.288 14.559 1.00 0.39 H new ATOM 0 HZ3 TRP A 95 -4.225 -6.004 11.409 1.00 0.57 H new ATOM 0 HH2 TRP A 95 -4.827 -5.598 13.779 1.00 0.54 H new ATOM 1565 N GLY A 96 -6.906 1.086 8.668 1.00 0.50 N ATOM 1566 CA GLY A 96 -7.884 1.962 9.374 1.00 0.47 C ATOM 1567 C GLY A 96 -9.306 1.483 9.080 1.00 0.43 C ATOM 1568 O GLY A 96 -9.982 0.952 9.940 1.00 0.48 O ATOM 0 H GLY A 96 -6.489 1.488 7.829 1.00 0.50 H new ATOM 0 HA2 GLY A 96 -7.697 1.942 10.448 1.00 0.47 H new ATOM 0 HA3 GLY A 96 -7.763 2.995 9.049 1.00 0.47 H new ATOM 1572 N LEU A 97 -9.767 1.666 7.873 1.00 0.35 N ATOM 1573 CA LEU A 97 -11.147 1.220 7.528 1.00 0.33 C ATOM 1574 C LEU A 97 -11.269 -0.288 7.748 1.00 0.38 C ATOM 1575 O LEU A 97 -12.318 -0.871 7.555 1.00 0.42 O ATOM 1576 CB LEU A 97 -11.455 1.561 6.063 1.00 0.30 C ATOM 1577 CG LEU A 97 -10.317 1.084 5.143 1.00 0.30 C ATOM 1578 CD1 LEU A 97 -10.291 -0.447 5.053 1.00 0.35 C ATOM 1579 CD2 LEU A 97 -10.530 1.663 3.743 1.00 0.28 C ATOM 0 H LEU A 97 -9.249 2.104 7.112 1.00 0.35 H new ATOM 0 HA LEU A 97 -11.862 1.735 8.169 1.00 0.33 H new ATOM 0 HB2 LEU A 97 -12.392 1.091 5.764 1.00 0.30 H new ATOM 0 HB3 LEU A 97 -11.590 2.637 5.955 1.00 0.30 H new ATOM 0 HG LEU A 97 -9.368 1.425 5.557 1.00 0.30 H new ATOM 0 HD11 LEU A 97 -9.478 -0.759 4.397 1.00 0.35 H new ATOM 0 HD12 LEU A 97 -10.137 -0.867 6.047 1.00 0.35 H new ATOM 0 HD13 LEU A 97 -11.239 -0.804 4.651 1.00 0.35 H new ATOM 0 HD21 LEU A 97 -9.727 1.329 3.085 1.00 0.28 H new ATOM 0 HD22 LEU A 97 -11.487 1.321 3.350 1.00 0.28 H new ATOM 0 HD23 LEU A 97 -10.527 2.752 3.795 1.00 0.28 H new ATOM 1591 N ALA A 98 -10.203 -0.927 8.147 1.00 0.40 N ATOM 1592 CA ALA A 98 -10.259 -2.398 8.378 1.00 0.46 C ATOM 1593 C ALA A 98 -10.845 -2.676 9.763 1.00 0.51 C ATOM 1594 O ALA A 98 -11.948 -3.169 9.895 1.00 0.55 O ATOM 1595 CB ALA A 98 -8.847 -2.982 8.295 1.00 0.47 C ATOM 0 H ALA A 98 -9.296 -0.494 8.323 1.00 0.40 H new ATOM 0 HA ALA A 98 -10.889 -2.860 7.618 1.00 0.46 H new ATOM 0 HB1 ALA A 98 -8.888 -4.058 8.464 1.00 0.47 H new ATOM 0 HB2 ALA A 98 -8.429 -2.785 7.308 1.00 0.47 H new ATOM 0 HB3 ALA A 98 -8.217 -2.519 9.054 1.00 0.47 H new ATOM 1601 N GLY A 99 -10.116 -2.362 10.799 1.00 0.53 N ATOM 1602 CA GLY A 99 -10.632 -2.607 12.176 1.00 0.58 C ATOM 1603 C GLY A 99 -10.562 -4.103 12.489 1.00 0.67 C ATOM 1604 O GLY A 99 -11.570 -4.762 12.646 1.00 1.24 O ATOM 0 H GLY A 99 -9.186 -1.947 10.752 1.00 0.53 H new ATOM 0 HA2 GLY A 99 -10.044 -2.045 12.901 1.00 0.58 H new ATOM 0 HA3 GLY A 99 -11.660 -2.255 12.258 1.00 0.58 H new ATOM 1608 N LEU A 100 -9.377 -4.644 12.581 1.00 0.34 N ATOM 1609 CA LEU A 100 -9.242 -6.097 12.884 1.00 0.38 C ATOM 1610 C LEU A 100 -7.986 -6.325 13.729 1.00 0.40 C ATOM 1611 O LEU A 100 -6.910 -6.548 13.212 1.00 1.18 O ATOM 1612 CB LEU A 100 -9.124 -6.882 11.576 1.00 0.61 C ATOM 1613 CG LEU A 100 -10.486 -7.475 11.207 1.00 0.78 C ATOM 1614 CD1 LEU A 100 -10.504 -7.823 9.718 1.00 1.09 C ATOM 1615 CD2 LEU A 100 -10.731 -8.743 12.028 1.00 0.82 C ATOM 0 H LEU A 100 -8.497 -4.142 12.459 1.00 0.34 H new ATOM 0 HA LEU A 100 -10.119 -6.437 13.434 1.00 0.38 H new ATOM 0 HB2 LEU A 100 -8.773 -6.228 10.778 1.00 0.61 H new ATOM 0 HB3 LEU A 100 -8.387 -7.678 11.683 1.00 0.61 H new ATOM 0 HG LEU A 100 -11.268 -6.746 11.421 1.00 0.78 H new ATOM 0 HD11 LEU A 100 -11.474 -8.245 9.455 1.00 1.09 H new ATOM 0 HD12 LEU A 100 -10.330 -6.921 9.131 1.00 1.09 H new ATOM 0 HD13 LEU A 100 -9.721 -8.551 9.505 1.00 1.09 H new ATOM 0 HD21 LEU A 100 -11.701 -9.165 11.765 1.00 0.82 H new ATOM 0 HD22 LEU A 100 -9.949 -9.471 11.815 1.00 0.82 H new ATOM 0 HD23 LEU A 100 -10.718 -8.497 13.090 1.00 0.82 H new ATOM 1627 N ASN A 101 -8.115 -6.271 15.026 1.00 0.36 N ATOM 1628 CA ASN A 101 -6.929 -6.484 15.903 1.00 0.33 C ATOM 1629 C ASN A 101 -6.271 -7.819 15.556 1.00 0.10 C ATOM 1630 O ASN A 101 -5.068 -7.911 15.411 1.00 0.33 O ATOM 1631 CB ASN A 101 -7.374 -6.500 17.367 1.00 0.74 C ATOM 1632 CG ASN A 101 -6.252 -5.948 18.248 1.00 1.51 C ATOM 1633 OD1 ASN A 101 -6.503 -5.420 19.313 1.00 1.55 O ATOM 1634 ND2 ASN A 101 -5.014 -6.046 17.846 1.00 2.67 N ATOM 0 H ASN A 101 -8.990 -6.089 15.517 1.00 0.36 H new ATOM 0 HA ASN A 101 -6.214 -5.676 15.749 1.00 0.33 H new ATOM 0 HB2 ASN A 101 -8.276 -5.900 17.490 1.00 0.74 H new ATOM 0 HB3 ASN A 101 -7.623 -7.517 17.671 1.00 0.74 H new ATOM 0 HD21 ASN A 101 -4.259 -5.680 18.426 1.00 2.67 H new ATOM 0 HD22 ASN A 101 -4.802 -6.489 16.952 1.00 2.67 H new ATOM 1641 N SER A 102 -7.049 -8.858 15.421 1.00 0.49 N ATOM 1642 CA SER A 102 -6.466 -10.188 15.083 1.00 0.73 C ATOM 1643 C SER A 102 -6.412 -10.350 13.562 1.00 0.68 C ATOM 1644 O SER A 102 -7.428 -10.377 12.896 1.00 0.68 O ATOM 1645 CB SER A 102 -7.334 -11.292 15.684 1.00 1.11 C ATOM 1646 OG SER A 102 -7.606 -10.988 17.046 1.00 1.71 O ATOM 0 H SER A 102 -8.063 -8.844 15.530 1.00 0.49 H new ATOM 0 HA SER A 102 -5.458 -10.257 15.491 1.00 0.73 H new ATOM 0 HB2 SER A 102 -8.266 -11.381 15.126 1.00 1.11 H new ATOM 0 HB3 SER A 102 -6.824 -12.253 15.609 1.00 1.11 H new ATOM 0 HG SER A 102 -8.164 -11.694 17.434 1.00 1.71 H new ATOM 1652 N CYS A 103 -5.236 -10.459 13.009 1.00 0.65 N ATOM 1653 CA CYS A 103 -5.119 -10.622 11.532 1.00 0.60 C ATOM 1654 C CYS A 103 -3.705 -11.096 11.174 1.00 0.58 C ATOM 1655 O CYS A 103 -2.947 -10.358 10.576 1.00 0.59 O ATOM 1656 CB CYS A 103 -5.383 -9.274 10.857 1.00 0.62 C ATOM 1657 SG CYS A 103 -5.111 -9.430 9.075 1.00 0.33 S ATOM 0 H CYS A 103 -4.351 -10.442 13.515 1.00 0.65 H new ATOM 0 HA CYS A 103 -5.845 -11.359 11.189 1.00 0.60 H new ATOM 0 HB2 CYS A 103 -6.405 -8.951 11.053 1.00 0.62 H new ATOM 0 HB3 CYS A 103 -4.723 -8.512 11.271 1.00 0.62 H new ATOM 1662 N PRO A 104 -3.383 -12.312 11.551 1.00 0.56 N ATOM 1663 CA PRO A 104 -2.053 -12.883 11.270 1.00 0.54 C ATOM 1664 C PRO A 104 -1.837 -13.003 9.759 1.00 0.51 C ATOM 1665 O PRO A 104 -2.768 -13.185 9.001 1.00 0.49 O ATOM 1666 CB PRO A 104 -2.073 -14.272 11.924 1.00 0.52 C ATOM 1667 CG PRO A 104 -3.469 -14.468 12.569 1.00 0.54 C ATOM 1668 CD PRO A 104 -4.301 -13.210 12.279 1.00 0.56 C ATOM 0 HA PRO A 104 -1.245 -12.261 11.656 1.00 0.54 H new ATOM 0 HB2 PRO A 104 -1.882 -15.047 11.182 1.00 0.52 H new ATOM 0 HB3 PRO A 104 -1.289 -14.352 12.677 1.00 0.52 H new ATOM 0 HG2 PRO A 104 -3.958 -15.352 12.160 1.00 0.54 H new ATOM 0 HG3 PRO A 104 -3.375 -14.624 13.644 1.00 0.54 H new ATOM 0 HD2 PRO A 104 -5.181 -13.447 11.680 1.00 0.56 H new ATOM 0 HD3 PRO A 104 -4.657 -12.750 13.201 1.00 0.56 H new ATOM 1676 N VAL A 105 -0.612 -12.904 9.316 1.00 0.52 N ATOM 1677 CA VAL A 105 -0.337 -13.013 7.856 1.00 0.51 C ATOM 1678 C VAL A 105 -0.010 -14.466 7.506 1.00 0.48 C ATOM 1679 O VAL A 105 0.808 -15.099 8.144 1.00 0.43 O ATOM 1680 CB VAL A 105 0.851 -12.120 7.493 1.00 0.52 C ATOM 1681 CG1 VAL A 105 2.144 -12.760 8.001 1.00 0.45 C ATOM 1682 CG2 VAL A 105 0.924 -11.964 5.972 1.00 0.70 C ATOM 0 H VAL A 105 0.209 -12.752 9.902 1.00 0.52 H new ATOM 0 HA VAL A 105 -1.216 -12.694 7.295 1.00 0.51 H new ATOM 0 HB VAL A 105 0.724 -11.141 7.955 1.00 0.52 H new ATOM 0 HG11 VAL A 105 2.991 -12.124 7.743 1.00 0.45 H new ATOM 0 HG12 VAL A 105 2.093 -12.874 9.084 1.00 0.45 H new ATOM 0 HG13 VAL A 105 2.271 -13.739 7.539 1.00 0.45 H new ATOM 0 HG21 VAL A 105 1.770 -11.328 5.712 1.00 0.70 H new ATOM 0 HG22 VAL A 105 1.051 -12.944 5.511 1.00 0.70 H new ATOM 0 HG23 VAL A 105 0.003 -11.509 5.608 1.00 0.70 H new ATOM 1692 N LYS A 106 -0.641 -14.999 6.497 1.00 0.74 N ATOM 1693 CA LYS A 106 -0.365 -16.412 6.107 1.00 0.73 C ATOM 1694 C LYS A 106 0.909 -16.467 5.261 1.00 0.66 C ATOM 1695 O LYS A 106 1.964 -16.039 5.684 1.00 0.70 O ATOM 1696 CB LYS A 106 -1.542 -16.956 5.296 1.00 0.70 C ATOM 1697 CG LYS A 106 -1.400 -18.473 5.144 1.00 0.49 C ATOM 1698 CD LYS A 106 -1.883 -18.895 3.755 1.00 1.12 C ATOM 1699 CE LYS A 106 -3.288 -18.341 3.513 1.00 2.41 C ATOM 1700 NZ LYS A 106 -4.089 -19.335 2.745 1.00 3.01 N ATOM 0 H LYS A 106 -1.336 -14.518 5.925 1.00 0.74 H new ATOM 0 HA LYS A 106 -0.232 -17.018 7.003 1.00 0.73 H new ATOM 0 HB2 LYS A 106 -2.482 -16.716 5.793 1.00 0.70 H new ATOM 0 HB3 LYS A 106 -1.571 -16.483 4.315 1.00 0.70 H new ATOM 0 HG2 LYS A 106 -0.360 -18.767 5.284 1.00 0.49 H new ATOM 0 HG3 LYS A 106 -1.981 -18.982 5.913 1.00 0.49 H new ATOM 0 HD2 LYS A 106 -1.198 -18.525 2.992 1.00 1.12 H new ATOM 0 HD3 LYS A 106 -1.891 -19.982 3.676 1.00 1.12 H new ATOM 0 HE2 LYS A 106 -3.774 -18.124 4.464 1.00 2.41 H new ATOM 0 HE3 LYS A 106 -3.230 -17.402 2.963 1.00 2.41 H new ATOM 0 HZ1 LYS A 106 -5.044 -18.958 2.580 1.00 3.01 H new ATOM 0 HZ2 LYS A 106 -3.628 -19.521 1.831 1.00 3.01 H new ATOM 0 HZ3 LYS A 106 -4.155 -20.221 3.286 1.00 3.01 H new ATOM 1714 N GLU A 107 0.816 -16.991 4.067 1.00 0.59 N ATOM 1715 CA GLU A 107 2.020 -17.078 3.190 1.00 0.54 C ATOM 1716 C GLU A 107 1.610 -16.816 1.740 1.00 0.45 C ATOM 1717 O GLU A 107 0.448 -16.882 1.391 1.00 0.59 O ATOM 1718 CB GLU A 107 2.634 -18.475 3.301 1.00 0.56 C ATOM 1719 CG GLU A 107 3.441 -18.579 4.596 1.00 0.74 C ATOM 1720 CD GLU A 107 4.718 -17.747 4.471 1.00 2.21 C ATOM 1721 OE1 GLU A 107 5.549 -18.093 3.645 1.00 2.28 O ATOM 1722 OE2 GLU A 107 4.846 -16.778 5.201 1.00 3.63 O ATOM 0 H GLU A 107 -0.043 -17.363 3.661 1.00 0.59 H new ATOM 0 HA GLU A 107 2.753 -16.334 3.503 1.00 0.54 H new ATOM 0 HB2 GLU A 107 1.848 -19.231 3.288 1.00 0.56 H new ATOM 0 HB3 GLU A 107 3.277 -18.670 2.443 1.00 0.56 H new ATOM 0 HG2 GLU A 107 2.845 -18.225 5.437 1.00 0.74 H new ATOM 0 HG3 GLU A 107 3.691 -19.620 4.798 1.00 0.74 H new ATOM 1729 N ALA A 108 2.556 -16.520 0.890 1.00 0.44 N ATOM 1730 CA ALA A 108 2.219 -16.255 -0.537 1.00 0.34 C ATOM 1731 C ALA A 108 3.462 -16.475 -1.403 1.00 0.37 C ATOM 1732 O ALA A 108 4.457 -17.008 -0.954 1.00 0.56 O ATOM 1733 CB ALA A 108 1.741 -14.810 -0.688 1.00 0.35 C ATOM 0 H ALA A 108 3.547 -16.450 1.122 1.00 0.44 H new ATOM 0 HA ALA A 108 1.428 -16.934 -0.857 1.00 0.34 H new ATOM 0 HB1 ALA A 108 1.494 -14.616 -1.732 1.00 0.35 H new ATOM 0 HB2 ALA A 108 0.856 -14.653 -0.071 1.00 0.35 H new ATOM 0 HB3 ALA A 108 2.531 -14.130 -0.369 1.00 0.35 H new ATOM 1739 N ASP A 109 3.412 -16.068 -2.642 1.00 0.25 N ATOM 1740 CA ASP A 109 4.590 -16.254 -3.535 1.00 0.40 C ATOM 1741 C ASP A 109 5.467 -15.002 -3.489 1.00 0.40 C ATOM 1742 O ASP A 109 6.088 -14.704 -2.488 1.00 0.46 O ATOM 1743 CB ASP A 109 4.110 -16.489 -4.969 1.00 0.46 C ATOM 1744 CG ASP A 109 3.189 -17.709 -5.007 1.00 0.51 C ATOM 1745 OD1 ASP A 109 3.689 -18.809 -4.830 1.00 1.39 O ATOM 1746 OD2 ASP A 109 2.001 -17.525 -5.212 1.00 1.42 O ATOM 0 H ASP A 109 2.607 -15.615 -3.074 1.00 0.25 H new ATOM 0 HA ASP A 109 5.169 -17.115 -3.200 1.00 0.40 H new ATOM 0 HB2 ASP A 109 3.581 -15.609 -5.335 1.00 0.46 H new ATOM 0 HB3 ASP A 109 4.964 -16.644 -5.628 1.00 0.46 H new ATOM 1751 N GLN A 110 5.526 -14.267 -4.566 1.00 0.41 N ATOM 1752 CA GLN A 110 6.363 -13.035 -4.583 1.00 0.46 C ATOM 1753 C GLN A 110 5.710 -11.986 -5.485 1.00 0.40 C ATOM 1754 O GLN A 110 4.803 -12.279 -6.238 1.00 0.63 O ATOM 1755 CB GLN A 110 7.756 -13.373 -5.119 1.00 0.66 C ATOM 1756 CG GLN A 110 8.617 -12.108 -5.140 1.00 0.87 C ATOM 1757 CD GLN A 110 10.095 -12.494 -5.060 1.00 1.10 C ATOM 1758 OE1 GLN A 110 10.538 -13.044 -4.071 1.00 0.48 O ATOM 1759 NE2 GLN A 110 10.882 -12.227 -6.066 1.00 2.36 N ATOM 0 H GLN A 110 5.030 -14.467 -5.435 1.00 0.41 H new ATOM 0 HA GLN A 110 6.449 -12.640 -3.571 1.00 0.46 H new ATOM 0 HB2 GLN A 110 8.223 -14.133 -4.493 1.00 0.66 H new ATOM 0 HB3 GLN A 110 7.679 -13.790 -6.123 1.00 0.66 H new ATOM 0 HG2 GLN A 110 8.427 -11.541 -6.052 1.00 0.87 H new ATOM 0 HG3 GLN A 110 8.353 -11.462 -4.303 1.00 0.87 H new ATOM 0 HE21 GLN A 110 10.510 -11.765 -6.896 1.00 2.36 H new ATOM 0 HE22 GLN A 110 11.869 -12.480 -6.022 1.00 2.36 H new ATOM 1768 N SER A 111 6.164 -10.764 -5.416 1.00 0.42 N ATOM 1769 CA SER A 111 5.568 -9.699 -6.271 1.00 0.39 C ATOM 1770 C SER A 111 6.545 -8.526 -6.377 1.00 0.41 C ATOM 1771 O SER A 111 7.681 -8.615 -5.956 1.00 1.16 O ATOM 1772 CB SER A 111 4.258 -9.217 -5.644 1.00 0.66 C ATOM 1773 OG SER A 111 4.384 -9.227 -4.228 1.00 0.90 O ATOM 0 H SER A 111 6.921 -10.458 -4.805 1.00 0.42 H new ATOM 0 HA SER A 111 5.370 -10.098 -7.266 1.00 0.39 H new ATOM 0 HB2 SER A 111 4.023 -8.211 -5.993 1.00 0.66 H new ATOM 0 HB3 SER A 111 3.435 -9.862 -5.952 1.00 0.66 H new ATOM 0 HG SER A 111 5.331 -9.295 -3.984 1.00 0.90 H new ATOM 1779 N THR A 112 6.108 -7.429 -6.941 1.00 0.73 N ATOM 1780 CA THR A 112 7.002 -6.242 -7.082 1.00 0.57 C ATOM 1781 C THR A 112 6.239 -4.980 -6.675 1.00 0.43 C ATOM 1782 O THR A 112 5.100 -4.786 -7.046 1.00 0.36 O ATOM 1783 CB THR A 112 7.454 -6.116 -8.539 1.00 0.60 C ATOM 1784 OG1 THR A 112 6.329 -6.249 -9.395 1.00 0.64 O ATOM 1785 CG2 THR A 112 8.472 -7.214 -8.856 1.00 0.75 C ATOM 0 H THR A 112 5.166 -7.305 -7.311 1.00 0.73 H new ATOM 0 HA THR A 112 7.874 -6.364 -6.439 1.00 0.57 H new ATOM 0 HB THR A 112 7.915 -5.141 -8.694 1.00 0.60 H new ATOM 0 HG1 THR A 112 6.462 -7.014 -9.993 1.00 0.64 H new ATOM 0 HG21 THR A 112 8.793 -7.124 -9.894 1.00 0.75 H new ATOM 0 HG22 THR A 112 9.335 -7.111 -8.198 1.00 0.75 H new ATOM 0 HG23 THR A 112 8.013 -8.191 -8.702 1.00 0.75 H new ATOM 1793 N LEU A 113 6.859 -4.121 -5.914 1.00 0.42 N ATOM 1794 CA LEU A 113 6.167 -2.874 -5.484 1.00 0.30 C ATOM 1795 C LEU A 113 5.503 -2.214 -6.696 1.00 0.20 C ATOM 1796 O LEU A 113 4.492 -1.553 -6.578 1.00 0.23 O ATOM 1797 CB LEU A 113 7.191 -1.911 -4.873 1.00 0.25 C ATOM 1798 CG LEU A 113 6.480 -0.676 -4.305 1.00 0.21 C ATOM 1799 CD1 LEU A 113 5.558 -1.080 -3.149 1.00 0.42 C ATOM 1800 CD2 LEU A 113 7.525 0.317 -3.791 1.00 0.19 C ATOM 0 H LEU A 113 7.814 -4.229 -5.572 1.00 0.42 H new ATOM 0 HA LEU A 113 5.406 -3.116 -4.742 1.00 0.30 H new ATOM 0 HB2 LEU A 113 7.749 -2.414 -4.083 1.00 0.25 H new ATOM 0 HB3 LEU A 113 7.914 -1.608 -5.630 1.00 0.25 H new ATOM 0 HG LEU A 113 5.884 -0.216 -5.093 1.00 0.21 H new ATOM 0 HD11 LEU A 113 5.059 -0.195 -2.755 1.00 0.42 H new ATOM 0 HD12 LEU A 113 4.811 -1.787 -3.510 1.00 0.42 H new ATOM 0 HD13 LEU A 113 6.147 -1.546 -2.359 1.00 0.42 H new ATOM 0 HD21 LEU A 113 7.023 1.196 -3.387 1.00 0.19 H new ATOM 0 HD22 LEU A 113 8.120 -0.154 -3.008 1.00 0.19 H new ATOM 0 HD23 LEU A 113 8.177 0.617 -4.612 1.00 0.19 H new ATOM 1812 N GLU A 114 6.067 -2.389 -7.860 1.00 0.20 N ATOM 1813 CA GLU A 114 5.469 -1.770 -9.078 1.00 0.18 C ATOM 1814 C GLU A 114 4.161 -2.484 -9.428 1.00 0.12 C ATOM 1815 O GLU A 114 3.084 -2.006 -9.132 1.00 0.16 O ATOM 1816 CB GLU A 114 6.448 -1.894 -10.247 1.00 0.31 C ATOM 1817 CG GLU A 114 5.899 -1.135 -11.456 1.00 0.37 C ATOM 1818 CD GLU A 114 6.880 -1.255 -12.624 1.00 0.90 C ATOM 1819 OE1 GLU A 114 6.884 -2.293 -13.265 1.00 2.00 O ATOM 1820 OE2 GLU A 114 7.611 -0.306 -12.857 1.00 1.02 O ATOM 0 H GLU A 114 6.915 -2.933 -8.021 1.00 0.20 H new ATOM 0 HA GLU A 114 5.265 -0.717 -8.885 1.00 0.18 H new ATOM 0 HB2 GLU A 114 7.421 -1.493 -9.964 1.00 0.31 H new ATOM 0 HB3 GLU A 114 6.597 -2.944 -10.500 1.00 0.31 H new ATOM 0 HG2 GLU A 114 4.927 -1.538 -11.741 1.00 0.37 H new ATOM 0 HG3 GLU A 114 5.747 -0.086 -11.202 1.00 0.37 H new ATOM 1827 N ASN A 115 4.244 -3.626 -10.056 1.00 0.07 N ATOM 1828 CA ASN A 115 3.005 -4.366 -10.423 1.00 0.12 C ATOM 1829 C ASN A 115 2.085 -4.449 -9.204 1.00 0.15 C ATOM 1830 O ASN A 115 0.898 -4.205 -9.291 1.00 0.26 O ATOM 1831 CB ASN A 115 3.370 -5.778 -10.885 1.00 0.15 C ATOM 1832 CG ASN A 115 4.432 -5.697 -11.984 1.00 0.36 C ATOM 1833 OD1 ASN A 115 4.174 -6.043 -13.120 1.00 0.39 O ATOM 1834 ND2 ASN A 115 5.623 -5.252 -11.692 1.00 1.51 N ATOM 0 H ASN A 115 5.117 -4.077 -10.330 1.00 0.07 H new ATOM 0 HA ASN A 115 2.494 -3.843 -11.231 1.00 0.12 H new ATOM 0 HB2 ASN A 115 3.745 -6.362 -10.044 1.00 0.15 H new ATOM 0 HB3 ASN A 115 2.483 -6.291 -11.258 1.00 0.15 H new ATOM 0 HD21 ASN A 115 6.338 -5.194 -12.417 1.00 1.51 H new ATOM 0 HD22 ASN A 115 5.839 -4.962 -10.738 1.00 1.51 H new ATOM 1841 N PHE A 116 2.626 -4.791 -8.067 1.00 0.09 N ATOM 1842 CA PHE A 116 1.786 -4.889 -6.840 1.00 0.12 C ATOM 1843 C PHE A 116 0.905 -3.644 -6.728 1.00 0.11 C ATOM 1844 O PHE A 116 -0.281 -3.731 -6.476 1.00 0.13 O ATOM 1845 CB PHE A 116 2.691 -4.988 -5.611 1.00 0.13 C ATOM 1846 CG PHE A 116 1.843 -5.020 -4.362 1.00 0.13 C ATOM 1847 CD1 PHE A 116 1.455 -3.822 -3.748 1.00 0.14 C ATOM 1848 CD2 PHE A 116 1.444 -6.246 -3.816 1.00 0.15 C ATOM 1849 CE1 PHE A 116 0.668 -3.851 -2.591 1.00 0.15 C ATOM 1850 CE2 PHE A 116 0.658 -6.274 -2.659 1.00 0.16 C ATOM 1851 CZ PHE A 116 0.270 -5.077 -2.045 1.00 0.16 C ATOM 0 H PHE A 116 3.614 -5.007 -7.935 1.00 0.09 H new ATOM 0 HA PHE A 116 1.155 -5.776 -6.898 1.00 0.12 H new ATOM 0 HB2 PHE A 116 3.305 -5.887 -5.670 1.00 0.13 H new ATOM 0 HB3 PHE A 116 3.373 -4.138 -5.579 1.00 0.13 H new ATOM 0 HD1 PHE A 116 1.763 -2.876 -4.168 1.00 0.14 H new ATOM 0 HD2 PHE A 116 1.743 -7.170 -4.288 1.00 0.15 H new ATOM 0 HE1 PHE A 116 0.368 -2.927 -2.119 1.00 0.15 H new ATOM 0 HE2 PHE A 116 0.350 -7.220 -2.239 1.00 0.16 H new ATOM 0 HZ PHE A 116 -0.336 -5.100 -1.151 1.00 0.16 H new ATOM 1861 N LEU A 117 1.474 -2.484 -6.913 1.00 0.09 N ATOM 1862 CA LEU A 117 0.667 -1.235 -6.816 1.00 0.10 C ATOM 1863 C LEU A 117 -0.394 -1.227 -7.919 1.00 0.11 C ATOM 1864 O LEU A 117 -1.477 -0.706 -7.748 1.00 0.21 O ATOM 1865 CB LEU A 117 1.585 -0.021 -6.984 1.00 0.19 C ATOM 1866 CG LEU A 117 2.011 0.496 -5.609 1.00 0.29 C ATOM 1867 CD1 LEU A 117 3.277 1.342 -5.751 1.00 0.32 C ATOM 1868 CD2 LEU A 117 0.892 1.356 -5.014 1.00 0.50 C ATOM 0 H LEU A 117 2.462 -2.347 -7.127 1.00 0.09 H new ATOM 0 HA LEU A 117 0.180 -1.191 -5.842 1.00 0.10 H new ATOM 0 HB2 LEU A 117 2.463 -0.295 -7.569 1.00 0.19 H new ATOM 0 HB3 LEU A 117 1.068 0.765 -7.535 1.00 0.19 H new ATOM 0 HG LEU A 117 2.209 -0.351 -4.951 1.00 0.29 H new ATOM 0 HD11 LEU A 117 3.580 1.710 -4.771 1.00 0.32 H new ATOM 0 HD12 LEU A 117 4.076 0.733 -6.173 1.00 0.32 H new ATOM 0 HD13 LEU A 117 3.078 2.187 -6.410 1.00 0.32 H new ATOM 0 HD21 LEU A 117 1.197 1.723 -4.034 1.00 0.50 H new ATOM 0 HD22 LEU A 117 0.693 2.201 -5.673 1.00 0.50 H new ATOM 0 HD23 LEU A 117 -0.012 0.756 -4.911 1.00 0.50 H new ATOM 1880 N GLU A 118 -0.089 -1.803 -9.051 1.00 0.15 N ATOM 1881 CA GLU A 118 -1.080 -1.829 -10.164 1.00 0.17 C ATOM 1882 C GLU A 118 -2.269 -2.706 -9.769 1.00 0.15 C ATOM 1883 O GLU A 118 -3.370 -2.227 -9.577 1.00 0.25 O ATOM 1884 CB GLU A 118 -0.419 -2.399 -11.420 1.00 0.22 C ATOM 1885 CG GLU A 118 -1.318 -2.143 -12.632 1.00 0.38 C ATOM 1886 CD GLU A 118 -0.953 -0.799 -13.265 1.00 0.93 C ATOM 1887 OE1 GLU A 118 0.223 -0.582 -13.506 1.00 1.00 O ATOM 1888 OE2 GLU A 118 -1.854 -0.011 -13.496 1.00 1.90 O ATOM 0 H GLU A 118 0.802 -2.256 -9.252 1.00 0.15 H new ATOM 0 HA GLU A 118 -1.429 -0.816 -10.365 1.00 0.17 H new ATOM 0 HB2 GLU A 118 0.556 -1.936 -11.573 1.00 0.22 H new ATOM 0 HB3 GLU A 118 -0.248 -3.469 -11.300 1.00 0.22 H new ATOM 0 HG2 GLU A 118 -1.200 -2.944 -13.361 1.00 0.38 H new ATOM 0 HG3 GLU A 118 -2.365 -2.141 -12.328 1.00 0.38 H new ATOM 1895 N ARG A 119 -2.059 -3.988 -9.648 1.00 0.08 N ATOM 1896 CA ARG A 119 -3.178 -4.895 -9.267 1.00 0.11 C ATOM 1897 C ARG A 119 -3.931 -4.303 -8.072 1.00 0.09 C ATOM 1898 O ARG A 119 -5.138 -4.401 -7.977 1.00 0.10 O ATOM 1899 CB ARG A 119 -2.618 -6.267 -8.887 1.00 0.18 C ATOM 1900 CG ARG A 119 -1.574 -6.105 -7.781 1.00 0.21 C ATOM 1901 CD ARG A 119 -0.878 -7.444 -7.535 1.00 0.26 C ATOM 1902 NE ARG A 119 -1.872 -8.549 -7.643 1.00 0.96 N ATOM 1903 CZ ARG A 119 -1.467 -9.783 -7.768 1.00 1.15 C ATOM 1904 NH1 ARG A 119 -0.189 -10.050 -7.799 1.00 0.68 N ATOM 1905 NH2 ARG A 119 -2.338 -10.750 -7.863 1.00 1.85 N ATOM 0 H ARG A 119 -1.160 -4.447 -9.797 1.00 0.08 H new ATOM 0 HA ARG A 119 -3.860 -5.002 -10.110 1.00 0.11 H new ATOM 0 HB2 ARG A 119 -3.423 -6.919 -8.549 1.00 0.18 H new ATOM 0 HB3 ARG A 119 -2.168 -6.742 -9.759 1.00 0.18 H new ATOM 0 HG2 ARG A 119 -0.842 -5.350 -8.066 1.00 0.21 H new ATOM 0 HG3 ARG A 119 -2.051 -5.757 -6.865 1.00 0.21 H new ATOM 0 HD2 ARG A 119 -0.078 -7.589 -8.261 1.00 0.26 H new ATOM 0 HD3 ARG A 119 -0.417 -7.450 -6.547 1.00 0.26 H new ATOM 0 HE ARG A 119 -2.870 -8.340 -7.619 1.00 0.96 H new ATOM 0 HH11 ARG A 119 0.492 -9.294 -7.725 1.00 0.68 H new ATOM 0 HH12 ARG A 119 0.128 -11.014 -7.897 1.00 0.68 H new ATOM 0 HH21 ARG A 119 -3.336 -10.541 -7.840 1.00 1.85 H new ATOM 0 HH22 ARG A 119 -2.021 -11.714 -7.961 1.00 1.85 H new ATOM 1919 N LEU A 120 -3.227 -3.690 -7.161 1.00 0.09 N ATOM 1920 CA LEU A 120 -3.903 -3.091 -5.976 1.00 0.12 C ATOM 1921 C LEU A 120 -4.771 -1.917 -6.431 1.00 0.10 C ATOM 1922 O LEU A 120 -5.970 -1.905 -6.234 1.00 0.12 O ATOM 1923 CB LEU A 120 -2.845 -2.597 -4.984 1.00 0.13 C ATOM 1924 CG LEU A 120 -3.459 -2.461 -3.586 1.00 0.17 C ATOM 1925 CD1 LEU A 120 -2.369 -2.069 -2.587 1.00 0.20 C ATOM 1926 CD2 LEU A 120 -4.547 -1.381 -3.593 1.00 0.18 C ATOM 0 H LEU A 120 -2.213 -3.578 -7.186 1.00 0.09 H new ATOM 0 HA LEU A 120 -4.530 -3.839 -5.492 1.00 0.12 H new ATOM 0 HB2 LEU A 120 -2.008 -3.294 -4.956 1.00 0.13 H new ATOM 0 HB3 LEU A 120 -2.449 -1.636 -5.311 1.00 0.13 H new ATOM 0 HG LEU A 120 -3.900 -3.415 -3.298 1.00 0.17 H new ATOM 0 HD11 LEU A 120 -2.805 -1.972 -1.593 1.00 0.20 H new ATOM 0 HD12 LEU A 120 -1.596 -2.838 -2.571 1.00 0.20 H new ATOM 0 HD13 LEU A 120 -1.928 -1.118 -2.884 1.00 0.20 H new ATOM 0 HD21 LEU A 120 -4.977 -1.292 -2.596 1.00 0.18 H new ATOM 0 HD22 LEU A 120 -4.110 -0.426 -3.887 1.00 0.18 H new ATOM 0 HD23 LEU A 120 -5.328 -1.656 -4.302 1.00 0.18 H new ATOM 1938 N LYS A 121 -4.176 -0.929 -7.040 1.00 0.09 N ATOM 1939 CA LYS A 121 -4.967 0.243 -7.508 1.00 0.10 C ATOM 1940 C LYS A 121 -6.164 -0.244 -8.329 1.00 0.10 C ATOM 1941 O LYS A 121 -7.280 0.199 -8.140 1.00 0.08 O ATOM 1942 CB LYS A 121 -4.084 1.141 -8.378 1.00 0.10 C ATOM 1943 CG LYS A 121 -4.813 2.457 -8.658 1.00 0.11 C ATOM 1944 CD LYS A 121 -3.858 3.432 -9.349 1.00 0.57 C ATOM 1945 CE LYS A 121 -3.368 2.823 -10.663 1.00 0.58 C ATOM 1946 NZ LYS A 121 -2.175 1.969 -10.401 1.00 2.24 N ATOM 0 H LYS A 121 -3.176 -0.883 -7.234 1.00 0.09 H new ATOM 0 HA LYS A 121 -5.323 0.808 -6.646 1.00 0.10 H new ATOM 0 HB2 LYS A 121 -3.138 1.337 -7.874 1.00 0.10 H new ATOM 0 HB3 LYS A 121 -3.847 0.638 -9.315 1.00 0.10 H new ATOM 0 HG2 LYS A 121 -5.684 2.276 -9.288 1.00 0.11 H new ATOM 0 HG3 LYS A 121 -5.178 2.888 -7.726 1.00 0.11 H new ATOM 0 HD2 LYS A 121 -4.364 4.378 -9.541 1.00 0.57 H new ATOM 0 HD3 LYS A 121 -3.011 3.650 -8.699 1.00 0.57 H new ATOM 0 HE2 LYS A 121 -4.160 2.229 -11.119 1.00 0.58 H new ATOM 0 HE3 LYS A 121 -3.115 3.613 -11.370 1.00 0.58 H new ATOM 0 HZ1 LYS A 121 -1.351 2.362 -10.899 1.00 2.24 H new ATOM 0 HZ2 LYS A 121 -1.983 1.945 -9.379 1.00 2.24 H new ATOM 0 HZ3 LYS A 121 -2.357 1.004 -10.742 1.00 2.24 H new ATOM 1960 N THR A 122 -5.942 -1.152 -9.238 1.00 0.13 N ATOM 1961 CA THR A 122 -7.067 -1.666 -10.069 1.00 0.14 C ATOM 1962 C THR A 122 -8.129 -2.289 -9.162 1.00 0.15 C ATOM 1963 O THR A 122 -9.314 -2.155 -9.395 1.00 0.29 O ATOM 1964 CB THR A 122 -6.541 -2.726 -11.041 1.00 0.11 C ATOM 1965 OG1 THR A 122 -5.336 -2.264 -11.635 1.00 0.11 O ATOM 1966 CG2 THR A 122 -7.584 -2.984 -12.130 1.00 0.15 C ATOM 0 H THR A 122 -5.030 -1.561 -9.442 1.00 0.13 H new ATOM 0 HA THR A 122 -7.508 -0.843 -10.632 1.00 0.14 H new ATOM 0 HB THR A 122 -6.348 -3.653 -10.500 1.00 0.11 H new ATOM 0 HG1 THR A 122 -4.594 -2.384 -11.006 1.00 0.11 H new ATOM 0 HG21 THR A 122 -7.209 -3.739 -12.822 1.00 0.15 H new ATOM 0 HG22 THR A 122 -8.508 -3.338 -11.672 1.00 0.15 H new ATOM 0 HG23 THR A 122 -7.779 -2.059 -12.673 1.00 0.15 H new ATOM 1974 N ILE A 123 -7.716 -2.969 -8.127 1.00 0.28 N ATOM 1975 CA ILE A 123 -8.704 -3.599 -7.207 1.00 0.31 C ATOM 1976 C ILE A 123 -9.491 -2.508 -6.478 1.00 0.34 C ATOM 1977 O ILE A 123 -10.645 -2.682 -6.142 1.00 0.38 O ATOM 1978 CB ILE A 123 -7.968 -4.465 -6.184 1.00 0.27 C ATOM 1979 CG1 ILE A 123 -7.546 -5.781 -6.841 1.00 0.27 C ATOM 1980 CG2 ILE A 123 -8.894 -4.761 -5.003 1.00 0.32 C ATOM 1981 CD1 ILE A 123 -6.441 -6.437 -6.011 1.00 0.24 C ATOM 0 H ILE A 123 -6.737 -3.115 -7.879 1.00 0.28 H new ATOM 0 HA ILE A 123 -9.391 -4.220 -7.782 1.00 0.31 H new ATOM 0 HB ILE A 123 -7.085 -3.934 -5.829 1.00 0.27 H new ATOM 0 HG12 ILE A 123 -8.402 -6.451 -6.920 1.00 0.27 H new ATOM 0 HG13 ILE A 123 -7.192 -5.596 -7.855 1.00 0.27 H new ATOM 0 HG21 ILE A 123 -8.368 -5.378 -4.274 1.00 0.32 H new ATOM 0 HG22 ILE A 123 -9.197 -3.825 -4.534 1.00 0.32 H new ATOM 0 HG23 ILE A 123 -9.778 -5.291 -5.358 1.00 0.32 H new ATOM 0 HD11 ILE A 123 -6.141 -7.374 -6.480 1.00 0.24 H new ATOM 0 HD12 ILE A 123 -5.582 -5.768 -5.955 1.00 0.24 H new ATOM 0 HD13 ILE A 123 -6.811 -6.637 -5.005 1.00 0.24 H new ATOM 1993 N MET A 124 -8.877 -1.382 -6.232 1.00 0.44 N ATOM 1994 CA MET A 124 -9.592 -0.283 -5.526 1.00 0.47 C ATOM 1995 C MET A 124 -10.741 0.223 -6.401 1.00 0.45 C ATOM 1996 O MET A 124 -11.893 0.180 -6.014 1.00 0.42 O ATOM 1997 CB MET A 124 -8.619 0.865 -5.249 1.00 0.50 C ATOM 1998 CG MET A 124 -7.548 0.400 -4.261 1.00 0.67 C ATOM 1999 SD MET A 124 -7.723 1.311 -2.708 1.00 1.03 S ATOM 2000 CE MET A 124 -9.263 0.534 -2.160 1.00 1.68 C ATOM 0 H MET A 124 -7.912 -1.177 -6.490 1.00 0.44 H new ATOM 0 HA MET A 124 -9.990 -0.657 -4.583 1.00 0.47 H new ATOM 0 HB2 MET A 124 -8.153 1.193 -6.178 1.00 0.50 H new ATOM 0 HB3 MET A 124 -9.157 1.721 -4.842 1.00 0.50 H new ATOM 0 HG2 MET A 124 -7.645 -0.670 -4.080 1.00 0.67 H new ATOM 0 HG3 MET A 124 -6.555 0.563 -4.681 1.00 0.67 H new ATOM 0 HE1 MET A 124 -9.431 0.763 -1.108 1.00 1.68 H new ATOM 0 HE2 MET A 124 -10.094 0.917 -2.752 1.00 1.68 H new ATOM 0 HE3 MET A 124 -9.192 -0.546 -2.290 1.00 1.68 H new ATOM 2010 N ARG A 125 -10.439 0.700 -7.578 1.00 0.46 N ATOM 2011 CA ARG A 125 -11.516 1.206 -8.474 1.00 0.45 C ATOM 2012 C ARG A 125 -12.557 0.107 -8.692 1.00 0.42 C ATOM 2013 O ARG A 125 -13.716 0.377 -8.940 1.00 0.39 O ATOM 2014 CB ARG A 125 -10.911 1.610 -9.821 1.00 0.50 C ATOM 2015 CG ARG A 125 -10.037 2.852 -9.639 1.00 0.71 C ATOM 2016 CD ARG A 125 -8.637 2.575 -10.188 1.00 1.43 C ATOM 2017 NE ARG A 125 -8.721 2.298 -11.649 1.00 2.16 N ATOM 2018 CZ ARG A 125 -7.642 2.330 -12.383 1.00 3.22 C ATOM 2019 NH1 ARG A 125 -6.489 2.605 -11.836 1.00 3.49 N ATOM 2020 NH2 ARG A 125 -7.716 2.087 -13.663 1.00 4.11 N ATOM 0 H ARG A 125 -9.494 0.761 -7.957 1.00 0.46 H new ATOM 0 HA ARG A 125 -11.993 2.072 -8.015 1.00 0.45 H new ATOM 0 HB2 ARG A 125 -10.316 0.790 -10.224 1.00 0.50 H new ATOM 0 HB3 ARG A 125 -11.704 1.813 -10.541 1.00 0.50 H new ATOM 0 HG2 ARG A 125 -10.481 3.702 -10.158 1.00 0.71 H new ATOM 0 HG3 ARG A 125 -9.979 3.118 -8.583 1.00 0.71 H new ATOM 0 HD2 ARG A 125 -7.988 3.432 -10.006 1.00 1.43 H new ATOM 0 HD3 ARG A 125 -8.194 1.724 -9.671 1.00 1.43 H new ATOM 0 HE ARG A 125 -9.622 2.083 -12.076 1.00 2.16 H new ATOM 0 HH11 ARG A 125 -6.431 2.795 -10.835 1.00 3.49 H new ATOM 0 HH12 ARG A 125 -5.646 2.630 -12.409 1.00 3.49 H new ATOM 0 HH21 ARG A 125 -8.617 1.872 -14.090 1.00 4.11 H new ATOM 0 HH22 ARG A 125 -6.873 2.112 -14.236 1.00 4.11 H new ATOM 2034 N GLU A 126 -12.154 -1.131 -8.602 1.00 0.44 N ATOM 2035 CA GLU A 126 -13.122 -2.246 -8.803 1.00 0.42 C ATOM 2036 C GLU A 126 -14.125 -2.266 -7.647 1.00 0.44 C ATOM 2037 O GLU A 126 -15.322 -2.257 -7.852 1.00 0.43 O ATOM 2038 CB GLU A 126 -12.367 -3.576 -8.846 1.00 0.41 C ATOM 2039 CG GLU A 126 -12.760 -4.346 -10.108 1.00 0.81 C ATOM 2040 CD GLU A 126 -11.981 -5.662 -10.167 1.00 1.18 C ATOM 2041 OE1 GLU A 126 -10.771 -5.617 -10.023 1.00 2.03 O ATOM 2042 OE2 GLU A 126 -12.609 -6.691 -10.355 1.00 1.03 O ATOM 0 H GLU A 126 -11.197 -1.418 -8.398 1.00 0.44 H new ATOM 0 HA GLU A 126 -13.654 -2.100 -9.743 1.00 0.42 H new ATOM 0 HB2 GLU A 126 -11.292 -3.396 -8.837 1.00 0.41 H new ATOM 0 HB3 GLU A 126 -12.599 -4.167 -7.960 1.00 0.41 H new ATOM 0 HG2 GLU A 126 -13.832 -4.545 -10.106 1.00 0.81 H new ATOM 0 HG3 GLU A 126 -12.549 -3.746 -10.993 1.00 0.81 H new ATOM 2049 N LYS A 127 -13.646 -2.293 -6.434 1.00 0.46 N ATOM 2050 CA LYS A 127 -14.571 -2.313 -5.267 1.00 0.48 C ATOM 2051 C LYS A 127 -15.117 -0.905 -5.024 1.00 0.51 C ATOM 2052 O LYS A 127 -16.057 -0.713 -4.277 1.00 0.55 O ATOM 2053 CB LYS A 127 -13.816 -2.789 -4.024 1.00 0.50 C ATOM 2054 CG LYS A 127 -12.993 -4.030 -4.370 1.00 0.56 C ATOM 2055 CD LYS A 127 -13.107 -5.052 -3.237 1.00 0.48 C ATOM 2056 CE LYS A 127 -12.184 -6.238 -3.522 1.00 0.51 C ATOM 2057 NZ LYS A 127 -12.905 -7.510 -3.229 1.00 1.19 N ATOM 0 H LYS A 127 -12.653 -2.302 -6.201 1.00 0.46 H new ATOM 0 HA LYS A 127 -15.398 -2.993 -5.472 1.00 0.48 H new ATOM 0 HB2 LYS A 127 -13.163 -1.997 -3.657 1.00 0.50 H new ATOM 0 HB3 LYS A 127 -14.520 -3.018 -3.224 1.00 0.50 H new ATOM 0 HG2 LYS A 127 -13.348 -4.466 -5.304 1.00 0.56 H new ATOM 0 HG3 LYS A 127 -11.949 -3.756 -4.523 1.00 0.56 H new ATOM 0 HD2 LYS A 127 -12.838 -4.589 -2.287 1.00 0.48 H new ATOM 0 HD3 LYS A 127 -14.138 -5.394 -3.145 1.00 0.48 H new ATOM 0 HE2 LYS A 127 -11.863 -6.221 -4.564 1.00 0.51 H new ATOM 0 HE3 LYS A 127 -11.285 -6.168 -2.910 1.00 0.51 H new ATOM 0 HZ1 LYS A 127 -12.486 -7.961 -2.391 1.00 1.19 H new ATOM 0 HZ2 LYS A 127 -13.908 -7.306 -3.047 1.00 1.19 H new ATOM 0 HZ3 LYS A 127 -12.824 -8.151 -4.044 1.00 1.19 H new ATOM 2071 N TYR A 128 -14.537 0.083 -5.649 1.00 0.50 N ATOM 2072 CA TYR A 128 -15.024 1.477 -5.454 1.00 0.52 C ATOM 2073 C TYR A 128 -16.430 1.615 -6.043 1.00 0.52 C ATOM 2074 O TYR A 128 -17.061 2.647 -5.934 1.00 0.46 O ATOM 2075 CB TYR A 128 -14.078 2.451 -6.160 1.00 0.53 C ATOM 2076 CG TYR A 128 -14.414 3.865 -5.751 1.00 0.51 C ATOM 2077 CD1 TYR A 128 -14.001 4.350 -4.504 1.00 0.48 C ATOM 2078 CD2 TYR A 128 -15.140 4.690 -6.618 1.00 0.54 C ATOM 2079 CE1 TYR A 128 -14.312 5.662 -4.126 1.00 0.48 C ATOM 2080 CE2 TYR A 128 -15.451 6.002 -6.239 1.00 0.54 C ATOM 2081 CZ TYR A 128 -15.038 6.487 -4.993 1.00 0.50 C ATOM 2082 OH TYR A 128 -15.345 7.780 -4.619 1.00 0.51 O ATOM 0 H TYR A 128 -13.747 -0.015 -6.286 1.00 0.50 H new ATOM 0 HA TYR A 128 -15.053 1.705 -4.389 1.00 0.52 H new ATOM 0 HB2 TYR A 128 -13.044 2.222 -5.901 1.00 0.53 H new ATOM 0 HB3 TYR A 128 -14.168 2.343 -7.241 1.00 0.53 H new ATOM 0 HD1 TYR A 128 -13.443 3.713 -3.834 1.00 0.48 H new ATOM 0 HD2 TYR A 128 -15.460 4.315 -7.579 1.00 0.54 H new ATOM 0 HE1 TYR A 128 -13.992 6.037 -3.165 1.00 0.48 H new ATOM 0 HE2 TYR A 128 -16.010 6.639 -6.908 1.00 0.54 H new ATOM 0 HH TYR A 128 -15.851 8.216 -5.336 1.00 0.51 H new