USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1188 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 120 HIS : no HE2:sc= -2.39 X(o=-1.2,f=-0.85) USER MOD Set 1.2: A 124 HIS : +bothHN:sc= 1.24 K(o=-1.2,f=-7.3!) USER MOD Set 1.3: A 130 HIS : no HD1:sc=-0.00764 X(o=-1.2,f=-1.2) USER MOD Set 2.1: A 69 HIS : no HD1:sc= -1.13 X(o=-1.6,f=-1.7) USER MOD Set 2.2: A 84 HIS : no HE2:sc= -0.37 X(o=-1.6,f=-1.9) USER MOD Set 2.3: A 97 HIS : no HD1:sc= -0.103 X(o=-1.6,f=-1.9) USER MOD Set 3.1: A 80 ASN : amide:sc= -0.691 X(o=-0.69,f=-0.66) USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -117:sc= 1.04 (180deg=-0.297) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -145:sc= 1.6 USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -0.0355 (180deg=-0.358) USER MOD Single : A 16 THR OG1 : rot -81:sc= 1.63 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -179:sc= 1.8 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 127:sc= 1.09 USER MOD Single : A 28 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-0.91) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -179:sc= -0.0733 (180deg=-0.0739) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0483 USER MOD Single : A 105 THR OG1 : rot -163:sc= 1.22 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.813 K(o=-0.81,f=-13!) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0235 USER MOD Single : A 119 THR OG1 : rot 100:sc= 1.26 USER MOD Single : A 125 SER OG : rot 114:sc= 1.05 USER MOD Single : A 128 MET CE :methyl -105:sc= -0.552 (180deg=-1.68) USER MOD Single : A 131 SER OG : rot 150:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 138 MET CE :methyl -129:sc= -0.785 (180deg=-2.18) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 150:sc= 0 USER MOD Single : A 144 ASN : amide:sc= -2.44 X(o=-2.4,f=-2.6!) USER MOD Single : A 148 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 149 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.071) USER MOD Single : A 151 LYS NZ :NH3+ -119:sc= -0.12 (180deg=-2.43!) USER MOD Single : A 153 SER OG : rot 174:sc= 0.046 USER MOD Single : A 154 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 70:sc= -0.0175 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.936 0.758 8.123 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.217 -0.274 7.387 1.00 0.36 C ATOM 111 C PRO A 8 -13.025 -0.743 6.161 1.00 0.57 C ATOM 112 O PRO A 8 -14.030 -1.442 6.298 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.928 -1.381 8.407 1.00 0.00 C ATOM 114 CG PRO A 8 -13.033 -1.228 9.449 1.00 0.00 C ATOM 115 CD PRO A 8 -13.380 0.262 9.418 1.00 0.30 C ATOM 0 HA PRO A 8 -11.280 0.086 6.963 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.952 -2.367 7.942 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.941 -1.263 8.853 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.899 -1.843 9.204 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.693 -1.537 10.438 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.452 0.414 9.546 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -12.883 0.794 10.229 1.00 0.30 H new ATOM 123 N LYS A 9 -12.533 -0.341 4.978 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.071 -0.497 3.622 1.00 0.36 C ATOM 125 C LYS A 9 -13.935 0.718 3.260 1.00 0.57 C ATOM 126 O LYS A 9 -14.793 1.138 4.036 1.00 -0.57 O ATOM 127 CB LYS A 9 -13.745 -1.860 3.351 1.00 0.00 C ATOM 128 CG LYS A 9 -15.285 -1.882 3.402 1.00 0.00 C ATOM 129 CD LYS A 9 -15.857 -3.302 3.508 1.00 0.00 C ATOM 130 CE LYS A 9 -15.738 -3.799 4.954 1.00 0.50 C ATOM 131 NZ LYS A 9 -16.337 -5.136 5.147 1.00 -0.85 N ATOM 0 H LYS A 9 -11.645 0.159 4.949 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.224 -0.518 2.936 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.430 -2.208 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.368 -2.579 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.624 -1.294 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.680 -1.402 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.901 -3.308 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.320 -3.972 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.686 -3.832 5.237 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -16.225 -3.087 5.620 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -17.132 -5.067 5.813 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -16.680 -5.498 4.234 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -15.620 -5.786 5.529 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.708 1.265 2.062 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.472 2.388 1.532 1.00 0.36 C ATOM 147 C TRP A 10 -15.937 1.994 1.316 1.00 0.57 C ATOM 148 O TRP A 10 -16.267 0.813 1.180 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.849 2.862 0.210 1.00 0.18 C ATOM 150 CG TRP A 10 -12.370 3.125 0.228 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.410 2.210 -0.033 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.661 4.377 0.490 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.168 2.801 0.046 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.266 4.147 0.304 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.047 5.689 0.844 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.310 5.166 0.416 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.095 6.719 0.977 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.734 6.460 0.754 1.00 -0.15 C ATOM 0 H TRP A 10 -12.980 0.934 1.429 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.442 3.203 2.255 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.054 2.111 -0.553 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.355 3.777 -0.098 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.590 1.171 -0.268 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.286 2.302 -0.072 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.091 5.906 1.016 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.264 4.958 0.245 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.414 7.713 1.252 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.012 7.258 0.843 1.00 -0.15 H new ATOM 169 N THR A 11 -16.827 2.990 1.246 1.00 -0.73 N ATOM 170 CA THR A 11 -18.251 2.745 1.029 1.00 0.36 C ATOM 171 C THR A 11 -18.577 2.392 -0.432 1.00 0.57 C ATOM 172 O THR A 11 -19.570 1.704 -0.674 1.00 -0.57 O ATOM 173 CB THR A 11 -19.070 3.948 1.524 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.627 5.144 0.914 1.00 -0.68 O ATOM 175 CG2 THR A 11 -18.953 4.128 3.043 1.00 0.00 C ATOM 0 H THR A 11 -16.582 3.976 1.337 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.531 1.868 1.612 1.00 0.36 H new ATOM 0 HB THR A 11 -20.107 3.745 1.258 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.163 5.896 1.242 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.546 4.988 3.354 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.321 3.233 3.545 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.909 4.291 3.311 1.00 0.00 H new ATOM 183 N SER A 12 -17.753 2.823 -1.398 1.00 -0.73 N ATOM 184 CA SER A 12 -17.856 2.439 -2.802 1.00 0.36 C ATOM 185 C SER A 12 -16.941 1.239 -3.084 1.00 0.57 C ATOM 186 O SER A 12 -15.814 1.170 -2.594 1.00 -0.57 O ATOM 187 CB SER A 12 -17.469 3.638 -3.680 1.00 0.28 C ATOM 188 OG SER A 12 -17.420 3.286 -5.055 1.00 -0.68 O ATOM 0 H SER A 12 -16.980 3.463 -1.214 1.00 -0.73 H new ATOM 0 HA SER A 12 -18.880 2.147 -3.033 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.190 4.443 -3.536 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.497 4.020 -3.367 1.00 0.28 H new ATOM 0 HG SER A 12 -16.706 3.791 -5.497 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.410 0.329 -3.949 1.00 -0.73 N ATOM 195 CA LYS A 13 -16.612 -0.753 -4.544 1.00 0.36 C ATOM 196 C LYS A 13 -15.686 -0.266 -5.668 1.00 0.57 C ATOM 197 O LYS A 13 -14.836 -1.032 -6.127 1.00 -0.57 O ATOM 198 CB LYS A 13 -17.537 -1.849 -5.106 1.00 0.00 C ATOM 199 CG LYS A 13 -18.613 -1.266 -6.038 1.00 0.00 C ATOM 200 CD LYS A 13 -19.053 -2.212 -7.161 1.00 0.00 C ATOM 201 CE LYS A 13 -20.149 -1.532 -7.993 1.00 0.50 C ATOM 202 NZ LYS A 13 -21.382 -1.318 -7.206 1.00 -0.85 N ATOM 0 H LYS A 13 -18.381 0.325 -4.263 1.00 -0.73 H new ATOM 0 HA LYS A 13 -15.987 -1.148 -3.743 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -16.942 -2.582 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.017 -2.377 -4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -19.486 -0.996 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.233 -0.346 -6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.203 -2.464 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.426 -3.146 -6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.783 -0.574 -8.363 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -20.376 -2.145 -8.865 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -22.180 -1.148 -7.851 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -21.576 -2.161 -6.629 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -21.258 -0.494 -6.584 1.00 -0.85 H new ATOM 216 N VAL A 14 -15.878 0.968 -6.141 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.036 1.608 -7.137 1.00 0.36 C ATOM 218 C VAL A 14 -14.433 2.804 -6.422 1.00 0.57 C ATOM 219 O VAL A 14 -15.147 3.750 -6.070 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.808 1.982 -8.419 1.00 0.00 C ATOM 221 CG1 VAL A 14 -14.861 2.628 -9.447 1.00 0.00 C ATOM 222 CG2 VAL A 14 -16.453 0.748 -9.069 1.00 0.00 C ATOM 0 H VAL A 14 -16.647 1.561 -5.828 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.260 0.938 -7.507 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.589 2.685 -8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -15.421 2.886 -10.346 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.423 3.530 -9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.068 1.925 -9.703 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -16.988 1.049 -9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -15.678 0.028 -9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.151 0.290 -8.368 1.00 0.00 H new ATOM 232 N VAL A 15 -13.135 2.712 -6.159 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.367 3.737 -5.467 1.00 0.36 C ATOM 234 C VAL A 15 -11.563 4.482 -6.538 1.00 0.57 C ATOM 235 O VAL A 15 -11.401 3.998 -7.665 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.487 3.062 -4.389 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.736 4.072 -3.510 1.00 0.00 C ATOM 238 CG2 VAL A 15 -12.312 2.175 -3.440 1.00 0.00 C ATOM 0 H VAL A 15 -12.575 1.903 -6.428 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.991 4.459 -4.941 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.775 2.464 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.136 3.538 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.084 4.684 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.454 4.713 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.652 1.722 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.062 2.783 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.807 1.391 -4.013 1.00 0.00 H new ATOM 248 N THR A 16 -11.044 5.660 -6.202 1.00 -0.73 N ATOM 249 CA THR A 16 -10.285 6.461 -7.139 1.00 0.36 C ATOM 250 C THR A 16 -8.826 6.590 -6.706 1.00 0.57 C ATOM 251 O THR A 16 -8.534 6.674 -5.515 1.00 -0.57 O ATOM 252 CB THR A 16 -10.963 7.817 -7.345 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.002 8.585 -6.162 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.356 7.684 -7.980 1.00 0.00 C ATOM 0 H THR A 16 -11.141 6.078 -5.277 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.270 5.955 -8.104 1.00 0.36 H new ATOM 0 HB THR A 16 -10.340 8.361 -8.055 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.749 8.286 -5.602 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.795 8.674 -8.105 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.268 7.201 -8.953 1.00 0.00 H new ATOM 0 HG23 THR A 16 -12.995 7.083 -7.333 1.00 0.00 H new ATOM 262 N TYR A 17 -7.908 6.677 -7.676 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.490 6.927 -7.424 1.00 0.36 C ATOM 264 C TYR A 17 -6.013 8.162 -8.189 1.00 0.57 C ATOM 265 O TYR A 17 -6.592 8.518 -9.218 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.655 5.681 -7.770 1.00 0.14 C ATOM 267 CG TYR A 17 -5.727 5.226 -9.222 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -4.883 5.803 -10.193 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -6.629 4.213 -9.600 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -4.961 5.394 -11.538 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -6.717 3.802 -10.942 1.00 -0.15 C ATOM 272 CZ TYR A 17 -5.895 4.403 -11.921 1.00 0.08 C ATOM 273 OH TYR A 17 -6.016 4.026 -13.227 1.00 -0.53 O ATOM 0 H TYR A 17 -8.134 6.574 -8.665 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.353 7.131 -6.362 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.613 5.883 -7.522 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -5.981 4.859 -7.133 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -4.173 6.563 -9.903 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -7.257 3.749 -8.854 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -4.309 5.836 -12.276 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -7.413 3.026 -11.224 1.00 -0.15 H new ATOM 0 HH TYR A 17 -6.705 3.334 -13.305 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.944 8.812 -7.705 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.229 9.835 -8.470 1.00 0.36 C ATOM 285 C ARG A 18 -2.777 9.906 -8.017 1.00 0.57 C ATOM 286 O ARG A 18 -2.479 10.212 -6.868 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.906 11.220 -8.372 1.00 0.00 C ATOM 288 CG ARG A 18 -4.361 12.174 -9.457 1.00 0.00 C ATOM 289 CD ARG A 18 -3.213 13.079 -8.987 1.00 0.33 C ATOM 290 NE ARG A 18 -2.306 13.436 -10.088 1.00 -0.84 N ATOM 291 CZ ARG A 18 -2.498 14.341 -11.058 1.00 1.20 C ATOM 292 NH1 ARG A 18 -3.626 15.049 -11.126 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -1.552 14.522 -11.976 1.00 -0.97 N ATOM 0 H ARG A 18 -4.555 8.642 -6.777 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.261 9.545 -9.520 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.985 11.111 -8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.730 11.647 -7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.017 11.582 -10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.178 12.800 -9.816 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.625 13.988 -8.547 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -2.650 12.572 -8.203 1.00 0.33 H new ATOM 0 HE ARG A 18 -1.420 12.932 -10.117 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -4.360 14.906 -10.433 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -3.754 15.733 -11.871 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -0.692 13.975 -11.937 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -1.687 15.208 -12.719 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.856 9.662 -8.940 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.436 9.713 -8.657 1.00 0.36 C ATOM 309 C ILE A 19 -0.017 11.189 -8.862 1.00 0.57 C ATOM 310 O ILE A 19 -0.184 11.709 -9.971 1.00 -0.57 O ATOM 311 CB ILE A 19 0.272 8.655 -9.540 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.345 7.230 -9.421 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.746 8.583 -9.133 1.00 0.00 C ATOM 314 CD1 ILE A 19 0.021 6.285 -10.575 1.00 0.00 C ATOM 0 H ILE A 19 -2.078 9.423 -9.907 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.150 9.446 -7.640 1.00 0.36 H new ATOM 0 HB ILE A 19 0.147 8.972 -10.575 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.018 6.782 -8.483 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.430 7.320 -9.370 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.257 7.841 -9.747 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.212 9.558 -9.278 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.820 8.298 -8.083 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.449 5.315 -10.414 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.331 6.707 -11.516 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.103 6.161 -10.615 1.00 0.00 H new ATOM 326 N VAL A 20 0.395 11.911 -7.801 1.00 -0.73 N ATOM 327 CA VAL A 20 0.646 13.367 -7.854 1.00 0.36 C ATOM 328 C VAL A 20 2.103 13.666 -8.222 1.00 0.57 C ATOM 329 O VAL A 20 2.354 14.476 -9.109 1.00 -0.57 O ATOM 330 CB VAL A 20 0.262 14.116 -6.549 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.254 14.288 -6.404 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.820 13.501 -5.258 1.00 0.00 C ATOM 0 H VAL A 20 0.564 11.502 -6.882 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.011 13.745 -8.637 1.00 0.36 H new ATOM 0 HB VAL A 20 0.739 15.088 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.473 14.817 -5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.638 14.861 -7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.731 13.308 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.497 14.095 -4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.451 12.481 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.909 13.490 -5.301 1.00 0.00 H new ATOM 342 N SER A 21 3.051 12.970 -7.596 1.00 -0.73 N ATOM 343 CA SER A 21 4.462 12.988 -7.970 1.00 0.36 C ATOM 344 C SER A 21 4.806 11.565 -8.431 1.00 0.57 C ATOM 345 O SER A 21 3.942 10.692 -8.370 1.00 -0.57 O ATOM 346 CB SER A 21 5.385 13.501 -6.838 1.00 0.28 C ATOM 347 OG SER A 21 4.799 13.893 -5.599 1.00 -0.68 O ATOM 0 H SER A 21 2.854 12.366 -6.798 1.00 -0.73 H new ATOM 0 HA SER A 21 4.634 13.701 -8.776 1.00 0.36 H new ATOM 0 HB2 SER A 21 6.113 12.718 -6.626 1.00 0.28 H new ATOM 0 HB3 SER A 21 5.939 14.356 -7.226 1.00 0.28 H new ATOM 0 HG SER A 21 5.501 14.201 -4.988 1.00 -0.68 H new ATOM 353 N TYR A 22 6.039 11.296 -8.866 1.00 -0.73 N ATOM 354 CA TYR A 22 6.467 9.963 -9.296 1.00 0.36 C ATOM 355 C TYR A 22 7.917 9.727 -8.850 1.00 0.57 C ATOM 356 O TYR A 22 8.553 10.644 -8.338 1.00 -0.57 O ATOM 357 CB TYR A 22 6.324 9.838 -10.822 1.00 0.14 C ATOM 358 CG TYR A 22 4.917 9.577 -11.344 1.00 -0.14 C ATOM 359 CD1 TYR A 22 4.465 8.251 -11.491 1.00 -0.15 C ATOM 360 CD2 TYR A 22 4.084 10.645 -11.733 1.00 -0.15 C ATOM 361 CE1 TYR A 22 3.201 7.984 -12.048 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.811 10.387 -12.278 1.00 -0.15 C ATOM 363 CZ TYR A 22 2.369 9.055 -12.450 1.00 0.08 C ATOM 364 OH TYR A 22 1.139 8.811 -12.986 1.00 -0.53 O ATOM 0 H TYR A 22 6.773 12.001 -8.930 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.837 9.202 -8.836 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.694 10.756 -11.278 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.972 9.030 -11.162 1.00 0.14 H new ATOM 0 HD1 TYR A 22 5.094 7.433 -11.173 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.422 11.664 -11.613 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.867 6.964 -12.168 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 2.171 11.208 -12.565 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.703 9.661 -13.205 1.00 -0.53 H new ATOM 374 N THR A 23 8.426 8.502 -9.052 1.00 -0.73 N ATOM 375 CA THR A 23 9.822 8.133 -8.805 1.00 0.36 C ATOM 376 C THR A 23 10.687 8.347 -10.062 1.00 0.57 C ATOM 377 O THR A 23 10.197 8.826 -11.090 1.00 -0.57 O ATOM 378 CB THR A 23 9.871 6.685 -8.269 1.00 0.28 C ATOM 379 OG1 THR A 23 11.137 6.424 -7.700 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.610 5.625 -9.344 1.00 0.00 C ATOM 0 H THR A 23 7.863 7.726 -9.399 1.00 -0.73 H new ATOM 0 HA THR A 23 10.251 8.785 -8.044 1.00 0.36 H new ATOM 0 HB THR A 23 9.074 6.615 -7.528 1.00 0.28 H new ATOM 0 HG1 THR A 23 11.022 6.082 -6.789 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.660 4.633 -8.896 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.621 5.779 -9.775 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.364 5.708 -10.127 1.00 0.00 H new ATOM 388 N ARG A 24 11.968 7.954 -9.983 1.00 -0.73 N ATOM 389 CA ARG A 24 12.983 8.190 -11.014 1.00 0.36 C ATOM 390 C ARG A 24 13.663 6.904 -11.510 1.00 0.57 C ATOM 391 O ARG A 24 13.985 6.811 -12.693 1.00 -0.57 O ATOM 392 CB ARG A 24 14.037 9.160 -10.447 1.00 0.00 C ATOM 393 CG ARG A 24 14.637 10.100 -11.500 1.00 0.00 C ATOM 394 CD ARG A 24 13.750 11.334 -11.717 1.00 0.33 C ATOM 395 NE ARG A 24 14.467 12.364 -12.487 1.00 -0.84 N ATOM 396 CZ ARG A 24 13.988 13.567 -12.826 1.00 1.20 C ATOM 397 NH1 ARG A 24 12.718 13.896 -12.571 1.00 -0.97 N ATOM 398 NH2 ARG A 24 14.793 14.446 -13.423 1.00 -0.97 N ATOM 0 H ARG A 24 12.334 7.449 -9.176 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.480 8.617 -11.882 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.581 9.757 -9.657 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.840 8.583 -9.988 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.631 10.415 -11.184 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.756 9.565 -12.442 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.841 11.046 -12.245 1.00 0.33 H new ATOM 0 HD3 ARG A 24 13.444 11.741 -10.753 1.00 0.33 H new ATOM 0 HE ARG A 24 15.415 12.140 -12.790 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 12.100 13.227 -12.112 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 12.367 14.816 -12.835 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 15.763 14.199 -13.617 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 14.439 15.366 -13.686 1.00 -0.97 H new ATOM 412 N ASP A 25 13.869 5.911 -10.633 1.00 -0.73 N ATOM 413 CA ASP A 25 14.587 4.655 -10.927 1.00 0.36 C ATOM 414 C ASP A 25 13.880 3.840 -12.030 1.00 0.57 C ATOM 415 O ASP A 25 14.505 3.107 -12.802 1.00 -0.57 O ATOM 416 CB ASP A 25 14.662 3.852 -9.615 1.00 0.06 C ATOM 417 CG ASP A 25 15.796 2.810 -9.510 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.068 2.111 -10.472 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.434 2.776 -8.343 1.00 -0.65 O ATOM 0 H ASP A 25 13.532 5.957 -9.671 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.586 4.877 -11.302 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.768 4.556 -8.790 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.711 3.337 -9.475 1.00 0.06 H new ATOM 425 N LEU A 26 12.558 4.023 -12.136 1.00 -0.73 N ATOM 426 CA LEU A 26 11.645 3.316 -13.022 1.00 0.36 C ATOM 427 C LEU A 26 10.533 4.289 -13.452 1.00 0.57 C ATOM 428 O LEU A 26 10.171 5.170 -12.668 1.00 -0.57 O ATOM 429 CB LEU A 26 11.112 2.040 -12.334 1.00 0.00 C ATOM 430 CG LEU A 26 10.598 2.184 -10.876 1.00 0.00 C ATOM 431 CD1 LEU A 26 9.079 2.357 -10.803 1.00 0.00 C ATOM 432 CD2 LEU A 26 10.994 0.950 -10.059 1.00 0.00 C ATOM 0 H LEU A 26 12.073 4.715 -11.565 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.157 2.977 -13.923 1.00 0.36 H new ATOM 0 HB2 LEU A 26 10.299 1.643 -12.942 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.908 1.295 -12.340 1.00 0.00 H new ATOM 0 HG LEU A 26 11.059 3.083 -10.466 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.773 2.453 -9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.788 3.253 -11.351 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.592 1.488 -11.245 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.630 1.058 -9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.554 0.060 -10.509 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.080 0.853 -10.049 1.00 0.00 H new ATOM 444 N PRO A 27 10.039 4.198 -14.703 1.00 -0.66 N ATOM 445 CA PRO A 27 9.198 5.231 -15.302 1.00 0.36 C ATOM 446 C PRO A 27 7.751 5.191 -14.793 1.00 0.57 C ATOM 447 O PRO A 27 7.306 4.226 -14.174 1.00 -0.57 O ATOM 448 CB PRO A 27 9.289 4.994 -16.816 1.00 0.00 C ATOM 449 CG PRO A 27 9.534 3.490 -16.928 1.00 0.00 C ATOM 450 CD PRO A 27 10.388 3.190 -15.697 1.00 0.30 C ATOM 0 HA PRO A 27 9.544 6.228 -15.028 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.371 5.290 -17.324 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.101 5.567 -17.264 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.601 2.927 -16.919 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.052 3.233 -17.852 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.189 2.187 -15.320 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.450 3.234 -15.940 1.00 0.30 H new ATOM 458 N HIS A 28 6.992 6.252 -15.090 1.00 -0.73 N ATOM 459 CA HIS A 28 5.635 6.451 -14.582 1.00 0.36 C ATOM 460 C HIS A 28 4.672 5.376 -15.090 1.00 0.57 C ATOM 461 O HIS A 28 3.793 4.935 -14.350 1.00 -0.57 O ATOM 462 CB HIS A 28 5.120 7.830 -15.020 1.00 0.17 C ATOM 463 CG HIS A 28 6.077 8.973 -14.792 1.00 0.18 C ATOM 464 ND1 HIS A 28 7.110 9.039 -13.880 1.00 -0.70 N ATOM 465 CD2 HIS A 28 6.117 10.125 -15.525 1.00 0.20 C ATOM 466 CE1 HIS A 28 7.747 10.206 -14.065 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.184 10.898 -15.069 1.00 -0.70 N ATOM 0 H HIS A 28 7.310 7.006 -15.699 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.677 6.384 -13.495 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.874 7.789 -16.081 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.193 8.041 -14.486 1.00 0.17 H new ATOM 0 HD2 HIS A 28 5.438 10.391 -16.322 1.00 0.20 H new ATOM 0 HE1 HIS A 28 8.595 10.542 -13.487 1.00 0.65 H new ATOM 0 HE2 HIS A 28 7.478 11.807 -15.426 1.00 -0.70 H new ATOM 476 N ILE A 29 4.863 4.942 -16.340 1.00 -0.73 N ATOM 477 CA ILE A 29 4.109 3.851 -16.941 1.00 0.36 C ATOM 478 C ILE A 29 4.378 2.541 -16.192 1.00 0.57 C ATOM 479 O ILE A 29 3.446 1.765 -15.974 1.00 -0.57 O ATOM 480 CB ILE A 29 4.415 3.797 -18.458 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.451 2.838 -19.188 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.887 3.455 -18.770 1.00 0.00 C ATOM 483 CD1 ILE A 29 3.288 3.191 -20.673 1.00 0.00 C ATOM 0 H ILE A 29 5.557 5.349 -16.967 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.036 4.020 -16.847 1.00 0.36 H new ATOM 0 HB ILE A 29 4.251 4.805 -18.838 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.822 1.817 -19.099 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.476 2.867 -18.701 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.034 3.433 -19.850 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.537 4.211 -18.330 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.130 2.479 -18.351 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.600 2.487 -21.141 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.891 4.202 -20.765 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.257 3.135 -21.169 1.00 0.00 H new ATOM 495 N THR A 30 5.619 2.324 -15.731 1.00 -0.73 N ATOM 496 CA THR A 30 5.930 1.211 -14.854 1.00 0.36 C ATOM 497 C THR A 30 5.236 1.445 -13.514 1.00 0.57 C ATOM 498 O THR A 30 4.507 0.553 -13.107 1.00 -0.57 O ATOM 499 CB THR A 30 7.449 0.981 -14.758 1.00 0.28 C ATOM 500 OG1 THR A 30 7.921 0.601 -16.033 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.819 -0.127 -13.771 1.00 0.00 C ATOM 0 H THR A 30 6.419 2.914 -15.959 1.00 -0.73 H new ATOM 0 HA THR A 30 5.544 0.276 -15.261 1.00 0.36 H new ATOM 0 HB THR A 30 7.900 1.909 -14.406 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.889 0.451 -15.992 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.902 -0.244 -13.745 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.459 0.136 -12.777 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.360 -1.064 -14.087 1.00 0.00 H new ATOM 509 N VAL A 31 5.349 2.618 -12.866 1.00 -0.73 N ATOM 510 CA VAL A 31 4.653 2.879 -11.596 1.00 0.36 C ATOM 511 C VAL A 31 3.167 2.517 -11.709 1.00 0.57 C ATOM 512 O VAL A 31 2.684 1.743 -10.887 1.00 -0.57 O ATOM 513 CB VAL A 31 4.848 4.335 -11.106 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.986 4.670 -9.872 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.312 4.604 -10.741 1.00 0.00 C ATOM 0 H VAL A 31 5.915 3.398 -13.201 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.104 2.237 -10.840 1.00 0.36 H new ATOM 0 HB VAL A 31 4.536 4.966 -11.938 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.164 5.703 -9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.932 4.540 -10.118 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.252 4.004 -9.051 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.419 5.634 -10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.619 3.925 -9.946 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.941 4.445 -11.617 1.00 0.00 H new ATOM 525 N ASP A 32 2.471 3.016 -12.740 1.00 -0.73 N ATOM 526 CA ASP A 32 1.048 2.753 -12.962 1.00 0.36 C ATOM 527 C ASP A 32 0.776 1.269 -13.255 1.00 0.57 C ATOM 528 O ASP A 32 -0.160 0.703 -12.692 1.00 -0.57 O ATOM 529 CB ASP A 32 0.542 3.653 -14.095 1.00 0.06 C ATOM 530 CG ASP A 32 -0.979 3.576 -14.252 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.422 2.824 -15.105 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.708 4.379 -13.482 1.00 -0.65 O ATOM 0 H ASP A 32 2.887 3.620 -13.449 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.502 2.987 -12.048 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.834 4.684 -13.897 1.00 0.06 H new ATOM 0 HB3 ASP A 32 1.018 3.361 -15.031 1.00 0.06 H new ATOM 538 N ARG A 33 1.618 0.597 -14.059 1.00 -0.73 N ATOM 539 CA ARG A 33 1.500 -0.848 -14.291 1.00 0.36 C ATOM 540 C ARG A 33 1.706 -1.646 -13.007 1.00 0.57 C ATOM 541 O ARG A 33 0.945 -2.579 -12.754 1.00 -0.57 O ATOM 542 CB ARG A 33 2.521 -1.332 -15.344 1.00 0.00 C ATOM 543 CG ARG A 33 2.029 -1.254 -16.798 1.00 0.00 C ATOM 544 CD ARG A 33 0.786 -2.134 -17.026 1.00 0.33 C ATOM 545 NE ARG A 33 0.857 -2.938 -18.260 1.00 -0.84 N ATOM 546 CZ ARG A 33 -0.106 -3.777 -18.677 1.00 1.20 C ATOM 547 NH1 ARG A 33 -1.296 -3.843 -18.088 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.088 -4.572 -19.718 1.00 -0.97 N ATOM 0 H ARG A 33 2.390 1.036 -14.560 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.488 -1.019 -14.658 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.430 -0.737 -15.250 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.791 -2.364 -15.121 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.793 -0.219 -17.048 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.827 -1.570 -17.470 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.661 -2.801 -16.173 1.00 0.33 H new ATOM 0 HD3 ARG A 33 -0.098 -1.498 -17.066 1.00 0.33 H new ATOM 0 HE ARG A 33 1.694 -2.851 -18.836 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -1.504 -3.243 -17.290 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -2.001 -4.493 -18.434 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 0.978 -4.553 -20.215 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -0.653 -5.204 -20.022 1.00 -0.97 H new ATOM 562 N LEU A 34 2.729 -1.320 -12.211 1.00 -0.73 N ATOM 563 CA LEU A 34 3.034 -2.050 -10.987 1.00 0.36 C ATOM 564 C LEU A 34 1.947 -1.766 -9.945 1.00 0.57 C ATOM 565 O LEU A 34 1.569 -2.688 -9.228 1.00 -0.57 O ATOM 566 CB LEU A 34 4.440 -1.731 -10.441 1.00 0.00 C ATOM 567 CG LEU A 34 5.629 -1.979 -11.402 1.00 0.00 C ATOM 568 CD1 LEU A 34 6.958 -1.768 -10.669 1.00 0.00 C ATOM 569 CD2 LEU A 34 5.620 -3.317 -12.151 1.00 0.00 C ATOM 0 H LEU A 34 3.364 -0.545 -12.400 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.042 -3.115 -11.219 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.459 -0.684 -10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.599 -2.325 -9.541 1.00 0.00 H new ATOM 0 HG LEU A 34 5.508 -1.236 -12.191 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.785 -1.946 -11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.009 -0.745 -10.296 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.026 -2.463 -9.832 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.498 -3.380 -12.793 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.636 -4.136 -11.432 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.719 -3.387 -12.761 1.00 0.00 H new ATOM 581 N VAL A 35 1.392 -0.546 -9.906 1.00 -0.73 N ATOM 582 CA VAL A 35 0.194 -0.216 -9.137 1.00 0.36 C ATOM 583 C VAL A 35 -0.989 -1.063 -9.612 1.00 0.57 C ATOM 584 O VAL A 35 -1.622 -1.689 -8.768 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.070 1.311 -9.183 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.546 1.740 -9.153 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.647 1.977 -7.996 1.00 0.00 C ATOM 0 H VAL A 35 1.773 0.249 -10.418 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.344 -0.465 -8.087 1.00 0.36 H new ATOM 0 HB VAL A 35 0.312 1.633 -10.152 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.610 2.828 -9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.065 1.317 -10.013 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.011 1.380 -8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.468 3.052 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.264 1.565 -7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.718 1.786 -8.064 1.00 0.00 H new ATOM 597 N SER A 36 -1.269 -1.147 -10.919 1.00 -0.73 N ATOM 598 CA SER A 36 -2.357 -1.977 -11.437 1.00 0.36 C ATOM 599 C SER A 36 -2.146 -3.449 -11.076 1.00 0.57 C ATOM 600 O SER A 36 -3.096 -4.096 -10.644 1.00 -0.57 O ATOM 601 CB SER A 36 -2.508 -1.801 -12.955 1.00 0.28 C ATOM 602 OG SER A 36 -3.366 -0.712 -13.242 1.00 -0.68 O ATOM 0 H SER A 36 -0.751 -0.645 -11.640 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.283 -1.646 -10.966 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.531 -1.631 -13.407 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.909 -2.714 -13.395 1.00 0.28 H new ATOM 0 HG SER A 36 -3.452 -0.610 -14.213 1.00 -0.68 H new ATOM 608 N LYS A 37 -0.923 -3.977 -11.195 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.605 -5.351 -10.807 1.00 0.36 C ATOM 610 C LYS A 37 -0.766 -5.553 -9.292 1.00 0.57 C ATOM 611 O LYS A 37 -1.434 -6.502 -8.886 1.00 -0.57 O ATOM 612 CB LYS A 37 0.808 -5.711 -11.298 1.00 0.00 C ATOM 613 CG LYS A 37 0.853 -5.992 -12.814 1.00 0.00 C ATOM 614 CD LYS A 37 2.304 -6.101 -13.325 1.00 0.00 C ATOM 615 CE LYS A 37 2.445 -7.149 -14.442 1.00 0.50 C ATOM 616 NZ LYS A 37 3.851 -7.592 -14.609 1.00 -0.85 N ATOM 0 H LYS A 37 -0.125 -3.460 -11.564 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.312 -6.031 -11.283 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.490 -4.894 -11.063 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.164 -6.589 -10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.320 -6.918 -13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.337 -5.195 -13.349 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.632 -5.130 -13.696 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.961 -6.364 -12.496 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.817 -8.010 -14.213 1.00 0.50 H new ATOM 0 HE3 LYS A 37 2.082 -6.730 -15.381 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 3.904 -8.298 -15.371 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 4.446 -6.774 -14.852 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 4.190 -8.015 -13.721 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.224 -4.658 -8.457 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.344 -4.717 -6.999 1.00 0.36 C ATOM 632 C ALA A 38 -1.805 -4.594 -6.537 1.00 0.57 C ATOM 633 O ALA A 38 -2.250 -5.342 -5.665 1.00 -0.57 O ATOM 634 CB ALA A 38 0.515 -3.605 -6.381 1.00 0.00 C ATOM 0 H ALA A 38 0.320 -3.859 -8.784 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.012 -5.690 -6.662 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.431 -3.642 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.556 -3.747 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.168 -2.636 -6.739 1.00 0.00 H new ATOM 640 N LEU A 39 -2.575 -3.679 -7.132 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.990 -3.502 -6.823 1.00 0.36 C ATOM 642 C LEU A 39 -4.826 -4.662 -7.355 1.00 0.57 C ATOM 643 O LEU A 39 -5.770 -5.069 -6.683 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.509 -2.178 -7.402 1.00 0.00 C ATOM 645 CG LEU A 39 -4.094 -0.935 -6.593 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.560 0.329 -7.324 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.714 -0.952 -5.188 1.00 0.00 C ATOM 0 H LEU A 39 -2.229 -3.038 -7.846 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.087 -3.480 -5.738 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.144 -2.072 -8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.597 -2.218 -7.455 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.008 -0.942 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.267 1.209 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.101 0.368 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.645 0.310 -7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.402 -0.062 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.801 -0.965 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.380 -1.841 -4.653 1.00 0.00 H new ATOM 659 N ASN A 40 -4.479 -5.231 -8.517 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.079 -6.471 -9.002 1.00 0.36 C ATOM 661 C ASN A 40 -4.784 -7.612 -8.030 1.00 0.57 C ATOM 662 O ASN A 40 -5.677 -8.398 -7.745 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.552 -6.801 -10.403 1.00 0.06 C ATOM 664 CG ASN A 40 -4.985 -8.184 -10.883 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.157 -8.423 -11.151 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -4.044 -9.107 -11.018 1.00 -0.80 N ATOM 0 H ASN A 40 -3.775 -4.841 -9.143 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.160 -6.342 -9.064 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.907 -6.049 -11.107 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.463 -6.746 -10.400 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -4.288 -10.040 -11.351 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -3.075 -8.885 -10.789 1.00 -0.80 H new ATOM 673 N MET A 41 -3.563 -7.689 -7.493 1.00 -0.73 N ATOM 674 CA MET A 41 -3.209 -8.650 -6.456 1.00 0.36 C ATOM 675 C MET A 41 -4.063 -8.445 -5.192 1.00 0.57 C ATOM 676 O MET A 41 -4.550 -9.437 -4.658 1.00 -0.57 O ATOM 677 CB MET A 41 -1.687 -8.607 -6.220 1.00 0.00 C ATOM 678 CG MET A 41 -0.952 -9.438 -7.280 1.00 0.23 C ATOM 679 SD MET A 41 0.757 -8.930 -7.632 1.00 -0.46 S ATOM 680 CE MET A 41 1.610 -9.478 -6.135 1.00 0.23 C ATOM 0 H MET A 41 -2.792 -7.082 -7.770 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.444 -9.664 -6.781 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.338 -7.575 -6.253 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.457 -8.990 -5.226 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.943 -10.479 -6.957 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.523 -9.397 -8.208 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.666 -9.216 -6.201 1.00 0.23 H new ATOM 0 HE2 MET A 41 1.169 -8.990 -5.266 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.510 -10.559 -6.034 1.00 0.23 H new ATOM 690 N TRP A 42 -4.353 -7.207 -4.760 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.365 -6.970 -3.718 1.00 0.36 C ATOM 692 C TRP A 42 -6.766 -7.440 -4.161 1.00 0.57 C ATOM 693 O TRP A 42 -7.419 -8.216 -3.457 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.369 -5.489 -3.295 1.00 0.18 C ATOM 695 CG TRP A 42 -4.380 -5.131 -2.226 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.119 -4.671 -2.408 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.561 -5.217 -0.778 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.524 -4.451 -1.183 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.340 -4.845 -0.152 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.621 -5.597 0.072 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.156 -4.896 1.228 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.453 -5.618 1.472 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.223 -5.274 2.055 1.00 -0.15 C ATOM 0 H TRP A 42 -3.905 -6.361 -5.113 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.096 -7.569 -2.848 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.169 -4.876 -4.174 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.368 -5.230 -2.946 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.651 -4.502 -3.366 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.596 -4.047 -1.059 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.573 -5.875 -0.355 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.197 -4.646 1.658 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.281 -5.902 2.104 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.100 -5.300 3.128 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.216 -7.031 -5.354 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.528 -7.373 -5.905 1.00 0.36 C ATOM 716 C GLY A 43 -8.700 -8.861 -6.249 1.00 0.57 C ATOM 717 O GLY A 43 -9.807 -9.318 -6.540 1.00 -0.57 O ATOM 0 H GLY A 43 -6.663 -6.440 -5.975 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.297 -7.087 -5.187 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.697 -6.782 -6.805 1.00 0.36 H new ATOM 721 N LYS A 44 -7.622 -9.646 -6.196 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.650 -11.088 -6.396 1.00 0.36 C ATOM 723 C LYS A 44 -8.406 -11.791 -5.268 1.00 0.57 C ATOM 724 O LYS A 44 -8.934 -12.882 -5.504 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.203 -11.587 -6.511 1.00 0.00 C ATOM 726 CG LYS A 44 -6.077 -13.056 -6.946 1.00 0.00 C ATOM 727 CD LYS A 44 -5.183 -13.240 -8.179 1.00 0.00 C ATOM 728 CE LYS A 44 -5.882 -12.679 -9.423 1.00 0.50 C ATOM 729 NZ LYS A 44 -5.308 -13.231 -10.664 1.00 -0.85 N ATOM 0 H LYS A 44 -6.687 -9.284 -6.008 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.187 -11.324 -7.315 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.670 -10.961 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.709 -11.461 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.672 -13.641 -6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.069 -13.452 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.231 -12.732 -8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.961 -14.297 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.946 -12.911 -9.379 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -5.793 -11.593 -9.432 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -5.805 -12.830 -11.485 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -4.298 -12.988 -10.718 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -5.416 -14.265 -10.666 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.499 -11.185 -4.081 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.183 -11.771 -2.929 1.00 0.36 C ATOM 745 C GLU A 45 -10.474 -10.987 -2.592 1.00 0.57 C ATOM 746 O GLU A 45 -11.291 -11.503 -1.831 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.205 -11.872 -1.736 1.00 0.00 C ATOM 748 CG GLU A 45 -6.961 -12.774 -1.912 1.00 0.06 C ATOM 749 CD GLU A 45 -7.197 -14.280 -2.024 1.00 0.66 C ATOM 750 OE1 GLU A 45 -8.260 -14.796 -1.719 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -6.157 -14.983 -2.464 1.00 -0.65 O ATOM 0 H GLU A 45 -8.098 -10.266 -3.893 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.503 -12.784 -3.172 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -7.861 -10.866 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.763 -12.232 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.432 -12.448 -2.808 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.295 -12.599 -1.067 1.00 0.06 H new ATOM 759 N ILE A 46 -10.718 -9.793 -3.171 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.941 -9.000 -2.951 1.00 0.36 C ATOM 761 C ILE A 46 -12.421 -8.350 -4.265 1.00 0.57 C ATOM 762 O ILE A 46 -11.599 -7.776 -4.971 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.734 -7.920 -1.855 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.419 -7.112 -1.987 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.818 -8.602 -0.486 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.401 -5.824 -1.151 1.00 0.00 C ATOM 0 H ILE A 46 -10.061 -9.349 -3.813 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.713 -9.686 -2.601 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.524 -7.179 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.583 -7.743 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.263 -6.857 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.675 -7.860 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.797 -9.068 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.042 -9.364 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.450 -5.311 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.215 -5.173 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.525 -6.073 -0.097 1.00 0.00 H new ATOM 778 N PRO A 47 -13.730 -8.377 -4.605 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.270 -7.885 -5.882 1.00 0.36 C ATOM 780 C PRO A 47 -14.346 -6.342 -5.965 1.00 0.57 C ATOM 781 O PRO A 47 -15.374 -5.764 -6.340 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.622 -8.600 -6.033 1.00 0.00 C ATOM 783 CG PRO A 47 -16.092 -8.800 -4.594 1.00 0.00 C ATOM 784 CD PRO A 47 -14.787 -9.014 -3.826 1.00 0.30 C ATOM 0 HA PRO A 47 -13.613 -8.116 -6.720 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.330 -8.000 -6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.515 -9.551 -6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.639 -7.932 -4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.758 -9.658 -4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.849 -8.578 -2.829 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.585 -10.077 -3.696 1.00 0.30 H new ATOM 792 N LEU A 48 -13.253 -5.668 -5.606 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.133 -4.222 -5.465 1.00 0.36 C ATOM 794 C LEU A 48 -12.258 -3.711 -6.609 1.00 0.57 C ATOM 795 O LEU A 48 -11.304 -4.381 -7.007 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.537 -3.934 -4.075 1.00 0.00 C ATOM 797 CG LEU A 48 -12.793 -2.505 -3.552 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.912 -2.542 -2.022 1.00 0.00 C ATOM 799 CD2 LEU A 48 -11.682 -1.526 -3.950 1.00 0.00 C ATOM 0 H LEU A 48 -12.378 -6.148 -5.394 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.092 -3.708 -5.528 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.950 -4.648 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.461 -4.106 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.719 -2.150 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.093 -1.535 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.741 -3.190 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.987 -2.928 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.912 -0.536 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.732 -1.868 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.612 -1.478 -5.037 1.00 0.00 H new ATOM 811 N HIS A 49 -12.601 -2.543 -7.156 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.026 -2.027 -8.390 1.00 0.36 C ATOM 813 C HIS A 49 -11.635 -0.560 -8.183 1.00 0.57 C ATOM 814 O HIS A 49 -12.076 0.081 -7.225 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.040 -2.208 -9.536 1.00 0.17 C ATOM 816 CG HIS A 49 -13.464 -3.642 -9.791 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.354 -4.391 -9.048 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -13.043 -4.442 -10.823 1.00 0.20 C ATOM 819 CE1 HIS A 49 -14.452 -5.605 -9.616 1.00 0.65 C ATOM 820 NE2 HIS A 49 -13.676 -5.684 -10.710 1.00 -0.70 N ATOM 0 H HIS A 49 -13.298 -1.923 -6.744 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.124 -2.576 -8.660 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -13.928 -1.616 -9.314 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -12.608 -1.804 -10.451 1.00 0.17 H new ATOM 0 HD2 HIS A 49 -12.341 -4.160 -11.593 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.071 -6.408 -9.244 1.00 0.65 H new ATOM 0 HE2 HIS A 49 -13.570 -6.486 -11.331 1.00 -0.70 H new ATOM 829 N PHE A 50 -10.801 -0.014 -9.073 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.189 1.295 -8.878 1.00 0.36 C ATOM 831 C PHE A 50 -10.097 1.995 -10.231 1.00 0.57 C ATOM 832 O PHE A 50 -9.872 1.329 -11.243 1.00 -0.57 O ATOM 833 CB PHE A 50 -8.793 1.183 -8.223 1.00 0.14 C ATOM 834 CG PHE A 50 -8.594 0.023 -7.257 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.361 -1.273 -7.763 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.653 0.223 -5.866 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.238 -2.366 -6.889 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.500 -0.868 -4.992 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.306 -2.165 -5.502 1.00 -0.15 C ATOM 0 H PHE A 50 -10.534 -0.469 -9.946 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.809 1.879 -8.197 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.049 1.101 -9.015 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.589 2.112 -7.690 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -8.277 -1.426 -8.829 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.816 1.214 -5.469 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.091 -3.360 -7.284 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.532 -0.710 -3.924 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.210 -3.003 -4.828 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.254 3.325 -10.258 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.235 4.136 -11.481 1.00 0.36 C ATOM 851 C ARG A 51 -9.599 5.500 -11.203 1.00 0.57 C ATOM 852 O ARG A 51 -9.263 5.815 -10.064 1.00 -0.57 O ATOM 853 CB ARG A 51 -11.670 4.237 -12.056 1.00 0.00 C ATOM 854 CG ARG A 51 -11.849 3.269 -13.244 1.00 0.00 C ATOM 855 CD ARG A 51 -13.309 2.877 -13.522 1.00 0.33 C ATOM 856 NE ARG A 51 -13.933 3.617 -14.635 1.00 -0.84 N ATOM 857 CZ ARG A 51 -15.195 3.421 -15.061 1.00 1.20 C ATOM 858 NH1 ARG A 51 -16.025 2.586 -14.435 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -15.670 4.055 -16.126 1.00 -0.97 N ATOM 0 H ARG A 51 -10.401 3.878 -9.413 1.00 -0.73 H new ATOM 0 HA ARG A 51 -9.617 3.659 -12.241 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.397 4.004 -11.278 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.867 5.259 -12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.431 3.729 -14.139 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.272 2.365 -13.052 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.351 1.810 -13.741 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -13.896 3.040 -12.618 1.00 0.33 H new ATOM 0 HE ARG A 51 -13.372 4.323 -15.113 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -15.709 2.076 -13.610 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -16.976 2.458 -14.781 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -15.076 4.706 -16.639 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -16.629 3.891 -16.431 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.418 6.322 -12.241 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.754 7.616 -12.116 1.00 0.36 C ATOM 875 C LYS A 52 -9.775 8.726 -12.352 1.00 0.57 C ATOM 876 O LYS A 52 -10.595 8.629 -13.271 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.572 7.687 -13.098 1.00 0.00 C ATOM 878 CG LYS A 52 -6.542 8.720 -12.619 1.00 0.00 C ATOM 879 CD LYS A 52 -5.321 8.834 -13.535 1.00 0.00 C ATOM 880 CE LYS A 52 -4.405 9.926 -12.968 1.00 0.50 C ATOM 881 NZ LYS A 52 -3.006 9.802 -13.432 1.00 -0.85 N ATOM 0 H LYS A 52 -9.728 6.107 -13.188 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.348 7.745 -11.113 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.102 6.707 -13.183 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.931 7.956 -14.091 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.024 9.695 -12.546 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.210 8.452 -11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.793 7.882 -13.586 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.628 9.083 -14.551 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.792 10.903 -13.255 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -4.427 9.882 -11.879 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -2.434 10.565 -13.018 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -2.622 8.882 -13.136 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -2.977 9.872 -14.469 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.698 9.781 -11.529 1.00 -0.73 N ATOM 896 CA VAL A 53 -10.556 10.964 -11.628 1.00 0.36 C ATOM 897 C VAL A 53 -10.259 11.761 -12.909 1.00 0.57 C ATOM 898 O VAL A 53 -11.179 12.381 -13.440 1.00 -0.57 O ATOM 899 CB VAL A 53 -10.408 11.822 -10.343 1.00 0.00 C ATOM 900 CG1 VAL A 53 -11.155 13.160 -10.399 1.00 0.00 C ATOM 901 CG2 VAL A 53 -10.943 11.045 -9.133 1.00 0.00 C ATOM 0 H VAL A 53 -9.026 9.835 -10.764 1.00 -0.73 H new ATOM 0 HA VAL A 53 -11.597 10.650 -11.702 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.343 12.036 -10.256 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.003 13.701 -9.465 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.774 13.755 -11.229 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.220 12.977 -10.543 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.836 11.653 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.996 10.809 -9.289 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.378 10.121 -9.015 1.00 0.00 H new ATOM 911 N VAL A 54 -9.010 11.705 -13.412 1.00 -0.73 N ATOM 912 CA VAL A 54 -8.499 12.448 -14.576 1.00 0.36 C ATOM 913 C VAL A 54 -8.919 13.930 -14.567 1.00 0.57 C ATOM 914 O VAL A 54 -9.283 14.499 -15.598 1.00 -0.57 O ATOM 915 CB VAL A 54 -8.744 11.695 -15.916 1.00 0.00 C ATOM 916 CG1 VAL A 54 -7.734 10.550 -16.068 1.00 0.00 C ATOM 917 CG2 VAL A 54 -10.158 11.116 -16.104 1.00 0.00 C ATOM 0 H VAL A 54 -8.295 11.109 -12.994 1.00 -0.73 H new ATOM 0 HA VAL A 54 -7.413 12.485 -14.486 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.621 12.460 -16.683 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.913 10.029 -17.008 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.722 10.955 -16.065 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.848 9.852 -15.239 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.220 10.613 -17.069 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.367 10.401 -15.308 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.889 11.923 -16.068 1.00 0.00 H new ATOM 927 N TRP A 55 -8.880 14.560 -13.381 1.00 -0.73 N ATOM 928 CA TRP A 55 -9.388 15.919 -13.197 1.00 0.36 C ATOM 929 C TRP A 55 -8.779 16.672 -12.004 1.00 0.57 C ATOM 930 O TRP A 55 -8.521 17.869 -12.120 1.00 -0.57 O ATOM 931 CB TRP A 55 -10.917 15.856 -13.043 1.00 0.18 C ATOM 932 CG TRP A 55 -11.637 17.030 -13.606 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -11.720 17.314 -14.921 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -12.372 18.081 -12.912 1.00 0.00 C ATOM 935 NE1 TRP A 55 -12.432 18.480 -15.096 1.00 0.03 N ATOM 936 CE2 TRP A 55 -12.888 18.980 -13.891 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -12.650 18.362 -11.556 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -13.663 20.098 -13.542 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -13.422 19.485 -11.195 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -13.933 20.345 -12.184 1.00 -0.15 C ATOM 0 H TRP A 55 -8.498 14.141 -12.533 1.00 -0.73 H new ATOM 0 HA TRP A 55 -9.093 16.484 -14.081 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -11.283 14.952 -13.530 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -11.161 15.768 -11.984 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -11.294 16.719 -15.715 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -12.601 18.919 -16.001 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -12.266 17.709 -10.786 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -14.046 20.759 -14.306 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -13.622 19.686 -10.153 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -14.534 21.196 -11.900 1.00 -0.15 H new ATOM 951 N GLY A 56 -8.535 15.978 -10.882 1.00 -0.73 N ATOM 952 CA GLY A 56 -8.057 16.557 -9.629 1.00 0.36 C ATOM 953 C GLY A 56 -7.425 15.467 -8.756 1.00 0.57 C ATOM 954 O GLY A 56 -6.795 14.556 -9.296 1.00 -0.57 O ATOM 0 H GLY A 56 -8.671 14.969 -10.826 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -7.326 17.339 -9.835 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -8.884 17.027 -9.097 1.00 0.36 H new ATOM 958 N THR A 57 -7.555 15.572 -7.425 1.00 -0.73 N ATOM 959 CA THR A 57 -7.144 14.518 -6.486 1.00 0.36 C ATOM 960 C THR A 57 -8.078 13.294 -6.565 1.00 0.57 C ATOM 961 O THR A 57 -8.956 13.225 -7.426 1.00 -0.57 O ATOM 962 CB THR A 57 -7.007 15.094 -5.055 1.00 0.28 C ATOM 963 OG1 THR A 57 -6.234 14.211 -4.265 1.00 -0.68 O ATOM 964 CG2 THR A 57 -8.343 15.368 -4.349 1.00 0.00 C ATOM 0 H THR A 57 -7.950 16.394 -6.968 1.00 -0.73 H new ATOM 0 HA THR A 57 -6.158 14.153 -6.776 1.00 0.36 H new ATOM 0 HB THR A 57 -6.519 16.062 -5.166 1.00 0.28 H new ATOM 0 HG1 THR A 57 -6.145 14.575 -3.359 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -8.153 15.769 -3.354 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.919 16.090 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.907 14.439 -4.264 1.00 0.00 H new ATOM 972 N ALA A 58 -7.880 12.326 -5.664 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.627 11.082 -5.596 1.00 0.36 C ATOM 974 C ALA A 58 -8.603 10.521 -4.168 1.00 0.57 C ATOM 975 O ALA A 58 -7.954 11.077 -3.278 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.974 10.103 -6.568 1.00 0.00 C ATOM 0 H ALA A 58 -7.167 12.398 -4.938 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.670 11.246 -5.865 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.510 9.154 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.009 10.514 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.936 9.941 -6.278 1.00 0.00 H new ATOM 982 N ASP A 59 -9.305 9.402 -3.967 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.368 8.702 -2.685 1.00 0.36 C ATOM 984 C ASP A 59 -7.975 8.183 -2.298 1.00 0.57 C ATOM 985 O ASP A 59 -7.613 8.256 -1.123 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.368 7.535 -2.729 1.00 0.06 C ATOM 987 CG ASP A 59 -11.771 7.899 -3.205 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.046 7.497 -4.323 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.570 8.614 -2.417 1.00 -0.65 O ATOM 0 H ASP A 59 -9.852 8.953 -4.701 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.712 9.413 -1.934 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -9.969 6.760 -3.384 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.441 7.102 -1.731 1.00 0.06 H new ATOM 995 N ILE A 60 -7.184 7.743 -3.289 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.861 7.146 -3.150 1.00 0.36 C ATOM 997 C ILE A 60 -4.864 8.024 -3.929 1.00 0.57 C ATOM 998 O ILE A 60 -4.465 7.723 -5.060 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.873 5.677 -3.644 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -6.982 4.787 -3.027 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.494 5.049 -3.381 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.260 3.523 -3.857 1.00 0.00 C ATOM 0 H ILE A 60 -7.475 7.801 -4.265 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.557 7.110 -2.104 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.100 5.719 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.690 4.497 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.900 5.367 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.493 4.015 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.730 5.611 -3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.280 5.075 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.045 2.938 -3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.581 3.809 -4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.351 2.925 -3.924 1.00 0.00 H new ATOM 1014 N MET A 61 -4.495 9.163 -3.353 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.398 9.974 -3.841 1.00 0.36 C ATOM 1016 C MET A 61 -2.090 9.253 -3.502 1.00 0.57 C ATOM 1017 O MET A 61 -1.827 8.970 -2.332 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.456 11.378 -3.221 1.00 0.00 C ATOM 1019 CG MET A 61 -2.395 12.339 -3.765 1.00 0.23 C ATOM 1020 SD MET A 61 -1.425 13.180 -2.476 1.00 -0.46 S ATOM 1021 CE MET A 61 -2.691 14.311 -1.837 1.00 0.23 C ATOM 0 H MET A 61 -4.956 9.548 -2.528 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.464 10.105 -4.921 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.444 11.803 -3.400 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.336 11.293 -2.141 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.716 11.785 -4.412 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.884 13.090 -4.385 1.00 0.23 H new ATOM 0 HE1 MET A 61 -2.269 14.912 -1.031 1.00 0.23 H new ATOM 0 HE2 MET A 61 -3.031 14.966 -2.639 1.00 0.23 H new ATOM 0 HE3 MET A 61 -3.535 13.735 -1.456 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.259 8.988 -4.515 1.00 -0.73 N ATOM 1032 CA ILE A 62 0.081 8.439 -4.323 1.00 0.36 C ATOM 1033 C ILE A 62 1.033 9.576 -4.664 1.00 0.57 C ATOM 1034 O ILE A 62 1.032 10.076 -5.789 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.317 7.172 -5.177 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.698 6.049 -4.840 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.743 6.631 -4.968 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.623 5.742 -6.021 1.00 0.00 C ATOM 0 H ILE A 62 -1.500 9.150 -5.493 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.238 8.097 -3.300 1.00 0.36 H new ATOM 0 HB ILE A 62 0.180 7.466 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.159 5.145 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.296 6.347 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.887 5.740 -5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.467 7.392 -5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.886 6.378 -3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.318 4.950 -5.742 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.183 6.639 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.028 5.419 -6.875 1.00 0.00 H new ATOM 1050 N GLY A 63 1.823 10.009 -3.686 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.758 11.105 -3.863 1.00 0.36 C ATOM 1052 C GLY A 63 4.159 10.685 -3.486 1.00 0.57 C ATOM 1053 O GLY A 63 4.376 9.699 -2.788 1.00 -0.57 O ATOM 0 H GLY A 63 1.830 9.606 -2.749 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.741 11.439 -4.901 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.451 11.953 -3.250 1.00 0.36 H new ATOM 1057 N PHE A 64 5.121 11.463 -3.957 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.526 11.249 -3.689 1.00 0.36 C ATOM 1059 C PHE A 64 7.081 12.618 -3.310 1.00 0.57 C ATOM 1060 O PHE A 64 6.643 13.646 -3.844 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.264 10.580 -4.870 1.00 0.14 C ATOM 1062 CG PHE A 64 6.657 9.293 -5.424 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.404 9.315 -6.061 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.352 8.069 -5.341 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.833 8.149 -6.586 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.777 6.894 -5.861 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.515 6.931 -6.480 1.00 -0.15 C ATOM 0 H PHE A 64 4.939 12.275 -4.547 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.677 10.539 -2.876 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.328 11.303 -5.683 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.285 10.365 -4.554 1.00 0.14 H new ATOM 0 HD1 PHE A 64 4.871 10.250 -6.147 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.327 8.033 -4.878 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 3.869 8.189 -7.071 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 7.309 5.957 -5.784 1.00 -0.15 H new ATOM 0 HZ PHE A 64 5.075 6.026 -6.871 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.001 12.601 -2.352 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.619 13.735 -1.686 1.00 0.36 C ATOM 1079 C ALA A 65 10.123 13.509 -1.697 1.00 0.57 C ATOM 1080 O ALA A 65 10.551 12.384 -1.916 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.141 13.736 -0.234 1.00 0.00 C ATOM 0 H ALA A 65 8.362 11.717 -1.993 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.365 14.675 -2.176 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.588 14.577 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.055 13.827 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.439 12.805 0.248 1.00 0.00 H new ATOM 1087 N ARG A 66 10.942 14.518 -1.399 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.388 14.330 -1.400 1.00 0.36 C ATOM 1089 C ARG A 66 12.925 14.874 -0.089 1.00 0.57 C ATOM 1090 O ARG A 66 13.100 16.086 0.044 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.006 14.961 -2.664 1.00 0.00 C ATOM 1092 CG ARG A 66 14.036 14.001 -3.264 1.00 0.00 C ATOM 1093 CD ARG A 66 14.896 14.636 -4.348 1.00 0.33 C ATOM 1094 NE ARG A 66 14.101 15.116 -5.487 1.00 -0.84 N ATOM 1095 CZ ARG A 66 14.608 15.385 -6.693 1.00 1.20 C ATOM 1096 NH1 ARG A 66 15.915 15.242 -6.906 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 13.803 15.791 -7.675 1.00 -0.97 N ATOM 0 H ARG A 66 10.633 15.459 -1.158 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.666 13.277 -1.453 1.00 0.36 H new ATOM 0 HB2 ARG A 66 12.226 15.177 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.480 15.910 -2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.682 13.630 -2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.517 13.138 -3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.455 15.469 -3.922 1.00 0.33 H new ATOM 0 HD3 ARG A 66 15.627 13.908 -4.700 1.00 0.33 H new ATOM 0 HE ARG A 66 13.100 15.252 -5.348 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 16.524 14.928 -6.150 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 16.307 15.446 -7.825 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 12.803 15.895 -7.504 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 14.187 15.997 -8.597 1.00 -0.97 H new ATOM 1111 N GLY A 67 13.079 14.005 0.916 1.00 -0.73 N ATOM 1112 CA GLY A 67 13.527 14.413 2.236 1.00 0.36 C ATOM 1113 C GLY A 67 12.408 15.082 3.034 1.00 0.57 C ATOM 1114 O GLY A 67 12.147 14.662 4.153 1.00 -0.57 O ATOM 0 H GLY A 67 12.895 13.005 0.830 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.892 13.542 2.781 1.00 0.36 H new ATOM 0 HA3 GLY A 67 14.366 15.102 2.138 1.00 0.36 H new ATOM 1118 N ALA A 68 11.694 16.069 2.475 1.00 -0.73 N ATOM 1119 CA ALA A 68 10.596 16.747 3.155 1.00 0.36 C ATOM 1120 C ALA A 68 9.527 17.195 2.154 1.00 0.57 C ATOM 1121 O ALA A 68 9.823 17.454 0.983 1.00 -0.57 O ATOM 1122 CB ALA A 68 11.143 17.938 3.950 1.00 0.00 C ATOM 0 H ALA A 68 11.868 16.417 1.532 1.00 -0.73 H new ATOM 0 HA ALA A 68 10.122 16.051 3.847 1.00 0.36 H new ATOM 0 HB1 ALA A 68 10.322 18.444 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.863 17.583 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.634 18.635 3.270 1.00 0.00 H new ATOM 1128 N HIS A 69 8.285 17.301 2.641 1.00 -0.73 N ATOM 1129 CA HIS A 69 7.098 17.651 1.869 1.00 0.36 C ATOM 1130 C HIS A 69 6.086 18.331 2.787 1.00 0.57 C ATOM 1131 O HIS A 69 6.133 18.169 4.006 1.00 -0.57 O ATOM 1132 CB HIS A 69 6.466 16.417 1.197 1.00 0.17 C ATOM 1133 CG HIS A 69 6.146 15.211 2.071 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.947 14.615 3.021 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 5.019 14.436 1.980 1.00 0.20 C ATOM 1136 CE1 HIS A 69 6.290 13.555 3.527 1.00 0.65 C ATOM 1137 NE2 HIS A 69 5.110 13.396 2.910 1.00 -0.70 N ATOM 0 H HIS A 69 8.076 17.137 3.626 1.00 -0.73 H new ATOM 0 HA HIS A 69 7.395 18.333 1.073 1.00 0.36 H new ATOM 0 HB2 HIS A 69 5.541 16.736 0.716 1.00 0.17 H new ATOM 0 HB3 HIS A 69 7.139 16.087 0.406 1.00 0.17 H new ATOM 0 HD2 HIS A 69 4.196 14.602 1.301 1.00 0.20 H new ATOM 0 HE1 HIS A 69 6.661 12.921 4.319 1.00 0.65 H new ATOM 0 HE2 HIS A 69 4.420 12.665 3.084 1.00 -0.70 H new ATOM 1146 N GLY A 70 5.156 19.074 2.177 1.00 -0.73 N ATOM 1147 CA GLY A 70 4.126 19.857 2.850 1.00 0.36 C ATOM 1148 C GLY A 70 2.933 19.013 3.292 1.00 0.57 C ATOM 1149 O GLY A 70 1.798 19.419 3.057 1.00 -0.57 O ATOM 0 H GLY A 70 5.102 19.146 1.161 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 4.560 20.347 3.721 1.00 0.36 H new ATOM 0 HA3 GLY A 70 3.780 20.644 2.181 1.00 0.36 H new ATOM 1153 N ASP A 71 3.201 17.849 3.886 1.00 -0.73 N ATOM 1154 CA ASP A 71 2.210 16.932 4.446 1.00 0.36 C ATOM 1155 C ASP A 71 2.029 17.192 5.954 1.00 0.57 C ATOM 1156 O ASP A 71 2.703 18.060 6.516 1.00 -0.57 O ATOM 1157 CB ASP A 71 2.699 15.506 4.159 1.00 0.06 C ATOM 1158 CG ASP A 71 1.779 14.437 4.736 1.00 0.66 C ATOM 1159 OD1 ASP A 71 0.583 14.569 4.533 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.332 13.471 5.465 1.00 -0.65 O ATOM 0 H ASP A 71 4.156 17.506 3.994 1.00 -0.73 H new ATOM 0 HA ASP A 71 1.231 17.080 3.991 1.00 0.36 H new ATOM 0 HB2 ASP A 71 2.780 15.365 3.081 1.00 0.06 H new ATOM 0 HB3 ASP A 71 3.699 15.380 4.573 1.00 0.06 H new ATOM 1166 N SER A 72 1.149 16.421 6.616 1.00 -0.73 N ATOM 1167 CA SER A 72 1.066 16.290 8.068 1.00 0.36 C ATOM 1168 C SER A 72 2.454 16.242 8.715 1.00 0.57 C ATOM 1169 O SER A 72 2.683 17.036 9.635 1.00 -0.57 O ATOM 1170 CB SER A 72 0.270 15.023 8.433 1.00 0.28 C ATOM 1171 OG SER A 72 -1.123 15.269 8.447 1.00 -0.68 O ATOM 0 H SER A 72 0.454 15.854 6.130 1.00 -0.73 H new ATOM 0 HA SER A 72 0.552 17.170 8.454 1.00 0.36 H new ATOM 0 HB2 SER A 72 0.493 14.233 7.716 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.586 14.663 9.412 1.00 0.28 H new ATOM 0 HG SER A 72 -1.598 14.444 8.680 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.363 15.378 8.215 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.713 15.191 8.748 1.00 0.36 C ATOM 1179 C TYR A 73 5.710 15.001 7.589 1.00 0.57 C ATOM 1180 O TYR A 73 5.449 14.178 6.709 1.00 -0.57 O ATOM 1181 CB TYR A 73 4.768 13.954 9.668 1.00 0.14 C ATOM 1182 CG TYR A 73 3.731 13.947 10.776 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.835 14.865 11.838 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 2.628 13.073 10.709 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.812 14.957 12.796 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 1.592 13.167 11.657 1.00 -0.15 C ATOM 1187 CZ TYR A 73 1.668 14.133 12.689 1.00 0.08 C ATOM 1188 OH TYR A 73 0.634 14.287 13.564 1.00 -0.53 O ATOM 0 H TYR A 73 3.166 14.782 7.411 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.979 16.076 9.325 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.638 13.059 9.060 1.00 0.14 H new ATOM 0 HB3 TYR A 73 5.760 13.894 10.116 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.704 15.501 11.916 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 2.577 12.329 9.928 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.899 15.657 13.614 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 0.741 12.504 11.597 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.074 13.643 13.351 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.857 15.707 7.577 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.905 15.462 6.595 1.00 0.36 C ATOM 1200 C PRO A 74 8.616 14.119 6.861 1.00 0.57 C ATOM 1201 O PRO A 74 8.584 13.592 7.974 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.843 16.669 6.683 1.00 0.00 C ATOM 1203 CG PRO A 74 8.645 17.221 8.097 1.00 0.00 C ATOM 1204 CD PRO A 74 7.246 16.759 8.507 1.00 0.30 C ATOM 0 HA PRO A 74 7.509 15.366 5.584 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.880 16.377 6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.596 17.417 5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.403 16.839 8.780 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.722 18.308 8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.247 16.387 9.532 1.00 0.30 H new ATOM 0 HD3 PRO A 74 6.539 17.588 8.469 1.00 0.30 H new ATOM 1212 N PHE A 75 9.265 13.577 5.823 1.00 -0.73 N ATOM 1213 CA PHE A 75 10.108 12.389 5.900 1.00 0.36 C ATOM 1214 C PHE A 75 11.522 12.743 6.422 1.00 0.57 C ATOM 1215 O PHE A 75 11.746 13.797 7.021 1.00 -0.57 O ATOM 1216 CB PHE A 75 10.133 11.704 4.510 1.00 0.14 C ATOM 1217 CG PHE A 75 8.914 10.876 4.147 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.480 9.835 4.993 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.265 11.080 2.917 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.368 9.053 4.641 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.147 10.306 2.568 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.689 9.306 3.440 1.00 -0.15 C ATOM 0 H PHE A 75 9.213 13.968 4.882 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.695 11.683 6.620 1.00 0.36 H new ATOM 0 HB2 PHE A 75 10.261 12.475 3.751 1.00 0.14 H new ATOM 0 HB3 PHE A 75 11.011 11.060 4.462 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.005 9.638 5.916 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.628 11.836 2.237 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.036 8.259 5.293 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.640 10.480 1.630 1.00 -0.15 H new ATOM 0 HZ PHE A 75 5.812 8.730 3.186 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.461 11.807 6.228 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.857 11.823 6.679 1.00 0.36 C ATOM 1234 C ASP A 76 14.855 11.702 5.508 1.00 0.57 C ATOM 1235 O ASP A 76 16.046 11.973 5.712 1.00 -0.57 O ATOM 1236 CB ASP A 76 14.058 10.593 7.590 1.00 0.06 C ATOM 1237 CG ASP A 76 13.614 9.318 6.871 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.451 8.979 7.018 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 14.477 8.700 6.070 1.00 -0.65 O ATOM 0 H ASP A 76 12.247 10.954 5.712 1.00 -0.73 H new ATOM 0 HA ASP A 76 14.043 12.769 7.187 1.00 0.36 H new ATOM 0 HB2 ASP A 76 15.107 10.511 7.875 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.487 10.717 8.510 1.00 0.06 H new ATOM 1245 N GLY A 77 14.410 11.316 4.298 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.282 11.151 3.144 1.00 0.36 C ATOM 1247 C GLY A 77 15.867 9.732 3.105 1.00 0.57 C ATOM 1248 O GLY A 77 15.124 8.767 3.251 1.00 -0.57 O ATOM 0 H GLY A 77 13.430 11.112 4.103 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.723 11.345 2.229 1.00 0.36 H new ATOM 0 HA3 GLY A 77 16.090 11.882 3.185 1.00 0.36 H new ATOM 1252 N PRO A 78 17.170 9.549 2.852 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.763 8.224 2.720 1.00 0.36 C ATOM 1254 C PRO A 78 17.875 7.495 4.074 1.00 0.57 C ATOM 1255 O PRO A 78 18.807 7.756 4.836 1.00 -0.57 O ATOM 1256 CB PRO A 78 19.102 8.455 2.010 1.00 0.00 C ATOM 1257 CG PRO A 78 19.481 9.896 2.363 1.00 0.00 C ATOM 1258 CD PRO A 78 18.142 10.594 2.587 1.00 0.30 C ATOM 0 HA PRO A 78 17.140 7.546 2.136 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.860 7.750 2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 78 19.008 8.322 0.932 1.00 0.00 H new ATOM 0 HG2 PRO A 78 20.105 9.936 3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 78 20.046 10.367 1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.202 11.289 3.425 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.857 11.176 1.710 1.00 0.30 H new ATOM 1266 N GLY A 79 16.947 6.569 4.364 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.987 5.693 5.537 1.00 0.36 C ATOM 1268 C GLY A 79 15.614 5.539 6.202 1.00 0.57 C ATOM 1269 O GLY A 79 14.592 5.891 5.619 1.00 -0.57 O ATOM 0 H GLY A 79 16.131 6.408 3.773 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.356 4.711 5.241 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.695 6.094 6.262 1.00 0.36 H new ATOM 1273 N ASN A 80 15.612 5.043 7.449 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.458 5.022 8.355 1.00 0.36 C ATOM 1275 C ASN A 80 13.139 4.552 7.697 1.00 0.57 C ATOM 1276 O ASN A 80 13.084 3.435 7.178 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.381 6.385 9.069 1.00 0.06 C ATOM 1278 CG ASN A 80 13.523 6.328 10.331 1.00 0.57 C ATOM 1279 OD1 ASN A 80 13.716 5.463 11.175 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 12.551 7.216 10.479 1.00 -0.80 N ATOM 0 H ASN A 80 16.446 4.631 7.867 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.609 4.248 9.108 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.387 6.714 9.330 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.970 7.128 8.386 1.00 0.06 H new ATOM 0 HD21 ASN A 80 11.952 7.184 11.304 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 12.401 7.932 9.768 1.00 -0.80 H new ATOM 1287 N THR A 81 12.070 5.356 7.789 1.00 -0.73 N ATOM 1288 CA THR A 81 10.773 5.191 7.142 1.00 0.36 C ATOM 1289 C THR A 81 10.920 5.542 5.649 1.00 0.57 C ATOM 1290 O THR A 81 11.464 6.590 5.320 1.00 -0.57 O ATOM 1291 CB THR A 81 9.795 6.158 7.855 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.886 5.992 9.260 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.320 5.984 7.490 1.00 0.00 C ATOM 0 H THR A 81 12.098 6.200 8.362 1.00 -0.73 H new ATOM 0 HA THR A 81 10.399 4.169 7.211 1.00 0.36 H new ATOM 0 HB THR A 81 10.106 7.147 7.517 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.266 6.608 9.703 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.721 6.708 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.188 6.145 6.420 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.998 4.975 7.747 1.00 0.00 H new ATOM 1301 N LEU A 82 10.415 4.702 4.736 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.564 4.851 3.285 1.00 0.36 C ATOM 1303 C LEU A 82 9.306 5.442 2.630 1.00 0.57 C ATOM 1304 O LEU A 82 9.400 6.146 1.620 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.875 3.487 2.631 1.00 0.00 C ATOM 1306 CG LEU A 82 12.255 2.903 3.000 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.274 2.012 4.251 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.789 2.064 1.834 1.00 0.00 C ATOM 0 H LEU A 82 9.876 3.876 4.996 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.392 5.542 3.124 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.103 2.774 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.818 3.596 1.548 1.00 0.00 H new ATOM 0 HG LEU A 82 12.875 3.773 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.288 1.651 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.941 2.589 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.607 1.163 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.764 1.653 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.096 1.249 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.888 2.692 0.949 1.00 0.00 H new ATOM 1320 N ALA A 83 8.127 5.149 3.185 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.837 5.607 2.692 1.00 0.36 C ATOM 1322 C ALA A 83 5.837 5.534 3.846 1.00 0.57 C ATOM 1323 O ALA A 83 6.078 4.829 4.827 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.386 4.725 1.518 1.00 0.00 C ATOM 0 H ALA A 83 8.048 4.566 4.018 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.904 6.633 2.331 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.420 5.072 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.121 4.785 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.297 3.691 1.852 1.00 0.00 H new ATOM 1330 N HIS A 84 4.715 6.242 3.746 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.628 6.117 4.708 1.00 0.36 C ATOM 1332 C HIS A 84 2.284 6.235 3.996 1.00 0.57 C ATOM 1333 O HIS A 84 2.208 6.777 2.887 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.787 7.103 5.882 1.00 0.17 C ATOM 1335 CG HIS A 84 3.872 8.586 5.572 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.512 9.522 6.355 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.283 9.280 4.547 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.333 10.732 5.800 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.594 10.631 4.685 1.00 -0.70 N ATOM 0 H HIS A 84 4.536 6.914 3.000 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.667 5.126 5.159 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.945 6.953 6.558 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.688 6.826 6.429 1.00 0.17 H new ATOM 0 HD1 HIS A 84 5.033 9.329 7.210 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 2.678 8.850 3.762 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.728 11.656 6.196 1.00 0.65 H new ATOM 1348 N ALA A 85 1.227 5.765 4.662 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.130 5.782 4.158 1.00 0.36 C ATOM 1350 C ALA A 85 -1.091 5.927 5.321 1.00 0.57 C ATOM 1351 O ALA A 85 -0.866 5.385 6.411 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.430 4.489 3.403 1.00 0.00 C ATOM 0 H ALA A 85 1.304 5.353 5.592 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.248 6.622 3.474 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.454 4.515 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.260 4.389 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.311 3.639 4.075 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.170 6.655 5.062 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.163 7.007 6.058 1.00 0.36 C ATOM 1360 C PHE A 86 -4.373 6.083 5.863 1.00 0.57 C ATOM 1361 O PHE A 86 -4.685 5.699 4.733 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.512 8.501 5.906 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.347 9.414 5.517 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.141 9.426 6.248 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.449 10.212 4.361 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.061 10.227 5.826 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.377 11.019 3.943 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.181 11.028 4.679 1.00 -0.15 C ATOM 0 H PHE A 86 -2.380 7.023 4.134 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.796 6.869 7.075 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.294 8.599 5.153 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -3.930 8.856 6.848 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.045 8.818 7.136 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.364 10.204 3.788 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.862 10.225 6.387 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.473 11.631 3.058 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.644 11.649 4.364 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.051 5.726 6.962 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.267 4.910 6.931 1.00 0.36 C ATOM 1380 C ALA A 87 -7.338 5.553 6.026 1.00 0.57 C ATOM 1381 O ALA A 87 -7.294 6.771 5.836 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.781 4.746 8.368 1.00 0.00 C ATOM 0 H ALA A 87 -4.767 5.998 7.903 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.042 3.929 6.512 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.687 4.140 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.019 4.255 8.973 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.002 5.727 8.789 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.292 4.789 5.457 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.274 5.337 4.538 1.00 0.36 C ATOM 1390 C PRO A 88 -10.255 6.278 5.240 1.00 0.57 C ATOM 1391 O PRO A 88 -10.372 6.327 6.468 1.00 -0.57 O ATOM 1392 CB PRO A 88 -9.980 4.149 3.885 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.701 2.962 4.793 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.537 3.378 5.691 1.00 0.30 C ATOM 0 HA PRO A 88 -8.787 5.952 3.781 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.051 4.330 3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.600 3.971 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.580 2.710 5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.446 2.077 4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.777 3.199 6.739 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.647 2.791 5.463 1.00 0.30 H new ATOM 1402 N GLY A 89 -10.986 7.030 4.420 1.00 -0.73 N ATOM 1403 CA GLY A 89 -11.984 7.960 4.901 1.00 0.36 C ATOM 1404 C GLY A 89 -12.693 8.582 3.712 1.00 0.57 C ATOM 1405 O GLY A 89 -13.572 7.954 3.114 1.00 -0.57 O ATOM 0 H GLY A 89 -10.897 7.006 3.404 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -12.701 7.445 5.540 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.515 8.735 5.508 1.00 0.36 H new ATOM 1409 N THR A 90 -12.293 9.814 3.386 1.00 -0.73 N ATOM 1410 CA THR A 90 -13.011 10.701 2.475 1.00 0.36 C ATOM 1411 C THR A 90 -12.035 11.660 1.772 1.00 0.57 C ATOM 1412 O THR A 90 -12.005 11.713 0.543 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.043 11.510 3.296 1.00 0.28 C ATOM 1414 OG1 THR A 90 -13.389 12.067 4.432 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -15.219 10.647 3.773 1.00 0.00 C ATOM 0 H THR A 90 -11.440 10.230 3.759 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.515 10.110 1.710 1.00 0.36 H new ATOM 0 HB THR A 90 -14.447 12.288 2.648 1.00 0.28 H new ATOM 0 HG1 THR A 90 -14.033 12.584 4.960 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -15.914 11.263 4.344 1.00 0.00 H new ATOM 0 HG22 THR A 90 -15.734 10.224 2.910 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.846 9.840 4.404 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.232 12.394 2.559 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.296 13.409 2.088 1.00 0.36 C ATOM 1425 C GLY A 91 -8.874 12.856 2.105 1.00 0.57 C ATOM 1426 O GLY A 91 -8.568 11.993 1.290 1.00 -0.57 O ATOM 0 H GLY A 91 -11.222 12.288 3.573 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.562 13.720 1.078 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.358 14.294 2.721 1.00 0.36 H new ATOM 1430 N LEU A 92 -8.028 13.329 3.038 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.644 12.859 3.222 1.00 0.36 C ATOM 1432 C LEU A 92 -6.587 11.348 3.491 1.00 0.57 C ATOM 1433 O LEU A 92 -5.611 10.689 3.134 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.970 13.646 4.366 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.502 13.226 4.662 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.509 14.368 4.414 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.367 12.722 6.104 1.00 0.00 C ATOM 0 H LEU A 92 -8.292 14.062 3.697 1.00 -0.73 H new ATOM 0 HA LEU A 92 -6.099 13.040 2.296 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.988 14.708 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.560 13.520 5.274 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.257 12.420 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.498 14.025 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.567 14.680 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.755 15.211 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.333 12.433 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.654 13.515 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.018 11.860 6.251 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.633 10.780 4.097 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.736 9.342 4.285 1.00 0.36 C ATOM 1451 C GLY A 93 -7.411 8.590 2.992 1.00 0.57 C ATOM 1452 O GLY A 93 -7.738 9.048 1.891 1.00 -0.57 O ATOM 0 H GLY A 93 -8.425 11.306 4.467 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -7.054 9.026 5.074 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.743 9.087 4.614 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.722 7.462 3.141 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.248 6.618 2.060 1.00 0.36 C ATOM 1458 C GLY A 94 -4.978 7.117 1.378 1.00 0.57 C ATOM 1459 O GLY A 94 -4.318 6.301 0.728 1.00 -0.57 O ATOM 0 H GLY A 94 -6.470 7.100 4.061 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.066 5.617 2.451 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.036 6.530 1.312 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.628 8.404 1.474 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.522 8.930 0.677 1.00 0.36 C ATOM 1465 C ASP A 95 -2.202 8.417 1.254 1.00 0.57 C ATOM 1466 O ASP A 95 -2.133 7.970 2.405 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.604 10.468 0.589 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.920 10.881 -0.080 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.309 10.245 -1.045 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.676 11.855 0.419 1.00 -0.65 O ATOM 0 H ASP A 95 -5.084 9.085 2.082 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.585 8.572 -0.351 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.541 10.902 1.587 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.759 10.854 0.019 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.156 8.444 0.425 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.119 7.841 0.753 1.00 0.36 C ATOM 1478 C ALA A 96 1.244 8.620 0.092 1.00 0.57 C ATOM 1479 O ALA A 96 1.103 9.112 -1.034 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.116 6.380 0.289 1.00 0.00 C ATOM 0 H ALA A 96 -1.179 8.888 -0.493 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.278 7.868 1.831 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.073 5.919 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.686 5.840 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.042 6.341 -0.789 1.00 0.00 H new ATOM 1486 N HIS A 97 2.386 8.701 0.779 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.555 9.427 0.298 1.00 0.36 C ATOM 1488 C HIS A 97 4.789 8.538 0.424 1.00 0.57 C ATOM 1489 O HIS A 97 4.820 7.638 1.261 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.744 10.769 1.025 1.00 0.17 C ATOM 1491 CG HIS A 97 2.556 11.704 1.012 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.176 12.504 2.071 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.682 11.925 -0.020 1.00 0.20 C ATOM 1494 CE1 HIS A 97 1.075 13.182 1.690 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.753 12.842 0.425 1.00 -0.70 N ATOM 0 H HIS A 97 2.522 8.261 1.689 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.401 9.674 -0.753 1.00 0.36 H new ATOM 0 HB2 HIS A 97 4.008 10.563 2.062 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.593 11.286 0.577 1.00 0.17 H new ATOM 0 HD2 HIS A 97 1.715 11.467 -0.998 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.534 13.888 2.303 1.00 0.65 H new ATOM 0 HE2 HIS A 97 -0.039 13.200 -0.109 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.802 8.812 -0.401 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.994 7.993 -0.589 1.00 0.36 C ATOM 1506 C PHE A 98 8.222 8.921 -0.665 1.00 0.57 C ATOM 1507 O PHE A 98 8.108 10.049 -1.150 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.818 7.190 -1.898 1.00 0.14 C ATOM 1509 CG PHE A 98 5.746 6.101 -1.890 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.370 6.412 -1.905 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.123 4.746 -1.883 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.403 5.394 -1.828 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.162 3.723 -1.830 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.798 4.048 -1.796 1.00 -0.15 C ATOM 0 H PHE A 98 5.811 9.651 -0.982 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.139 7.298 0.238 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.586 7.891 -2.700 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.773 6.727 -2.145 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.056 7.443 -1.976 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.171 4.487 -1.919 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.354 5.649 -1.793 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.473 2.689 -1.815 1.00 -0.15 H new ATOM 0 HZ PHE A 98 3.055 3.266 -1.745 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.391 8.469 -0.197 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.644 9.234 -0.252 1.00 0.36 C ATOM 1526 C ASP A 99 11.313 9.002 -1.630 1.00 0.57 C ATOM 1527 O ASP A 99 12.042 8.033 -1.828 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.550 8.845 0.950 1.00 0.06 C ATOM 1529 CG ASP A 99 12.087 10.006 1.807 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.382 9.726 2.957 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 12.211 11.214 1.265 1.00 -0.65 O ATOM 0 H ASP A 99 9.496 7.551 0.236 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.456 10.304 -0.160 1.00 0.36 H new ATOM 0 HB2 ASP A 99 10.987 8.174 1.599 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.401 8.281 0.568 1.00 0.06 H new ATOM 1537 N GLU A 100 11.071 9.876 -2.618 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.702 9.867 -3.950 1.00 0.36 C ATOM 1539 C GLU A 100 13.234 9.888 -3.849 1.00 0.57 C ATOM 1540 O GLU A 100 13.913 9.492 -4.793 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.253 11.096 -4.780 1.00 0.00 C ATOM 1542 CG GLU A 100 11.336 10.889 -6.309 1.00 0.06 C ATOM 1543 CD GLU A 100 11.659 12.143 -7.181 1.00 0.66 C ATOM 1544 OE1 GLU A 100 11.482 13.274 -6.760 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 12.161 11.886 -8.386 1.00 -0.65 O ATOM 0 H GLU A 100 10.404 10.640 -2.509 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.385 8.947 -4.441 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.226 11.346 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.871 11.951 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.097 10.134 -6.507 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.384 10.478 -6.647 1.00 0.06 H new ATOM 1553 N ASP A 101 13.787 10.360 -2.721 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.230 10.344 -2.485 1.00 0.36 C ATOM 1555 C ASP A 101 15.765 8.910 -2.354 1.00 0.57 C ATOM 1556 O ASP A 101 16.923 8.657 -2.691 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.591 11.164 -1.235 1.00 0.06 C ATOM 1558 CG ASP A 101 16.998 11.774 -1.379 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.927 11.215 -0.821 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.126 12.882 -2.104 1.00 -0.65 O ATOM 0 H ASP A 101 13.246 10.760 -1.954 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.705 10.802 -3.352 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.858 11.957 -1.088 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.553 10.527 -0.351 1.00 0.06 H new ATOM 1566 N GLU A 102 14.932 7.970 -1.882 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.317 6.572 -1.733 1.00 0.36 C ATOM 1568 C GLU A 102 15.249 5.827 -3.066 1.00 0.57 C ATOM 1569 O GLU A 102 14.721 6.319 -4.062 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.489 5.885 -0.628 1.00 0.00 C ATOM 1571 CG GLU A 102 14.920 6.465 0.725 1.00 0.06 C ATOM 1572 CD GLU A 102 14.601 5.566 1.914 1.00 0.66 C ATOM 1573 OE1 GLU A 102 13.856 6.017 2.769 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 15.231 4.396 1.977 1.00 -0.65 O ATOM 0 H GLU A 102 13.973 8.165 -1.595 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.359 6.540 -1.415 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.424 6.052 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.649 4.807 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.993 6.654 0.703 1.00 0.06 H new ATOM 0 HG3 GLU A 102 14.430 7.428 0.869 1.00 0.06 H new ATOM 1582 N ARG A 103 15.819 4.619 -3.084 1.00 -0.73 N ATOM 1583 CA ARG A 103 15.738 3.725 -4.232 1.00 0.36 C ATOM 1584 C ARG A 103 14.392 3.017 -4.251 1.00 0.57 C ATOM 1585 O ARG A 103 13.779 2.803 -3.207 1.00 -0.57 O ATOM 1586 CB ARG A 103 16.853 2.674 -4.171 1.00 0.00 C ATOM 1587 CG ARG A 103 18.145 3.187 -4.806 1.00 0.00 C ATOM 1588 CD ARG A 103 19.226 2.104 -4.729 1.00 0.33 C ATOM 1589 NE ARG A 103 20.424 2.512 -5.480 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.706 2.278 -5.170 1.00 1.20 C ATOM 1591 NH1 ARG A 103 22.059 1.609 -4.066 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 22.654 2.744 -5.985 1.00 -0.97 N ATOM 0 H ARG A 103 16.349 4.237 -2.300 1.00 -0.73 H new ATOM 0 HA ARG A 103 15.852 4.322 -5.137 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.041 2.402 -3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 103 16.529 1.769 -4.684 1.00 0.00 H new ATOM 0 HG2 ARG A 103 17.966 3.462 -5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.482 4.087 -4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.489 1.919 -3.688 1.00 0.33 H new ATOM 0 HD3 ARG A 103 18.839 1.168 -5.132 1.00 0.33 H new ATOM 0 HE ARG A 103 20.258 3.036 -6.339 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 21.342 1.260 -3.430 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 23.045 1.448 -3.860 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 22.395 3.266 -6.823 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 23.637 2.579 -5.770 1.00 -0.97 H new ATOM 1606 N TRP A 104 13.999 2.578 -5.447 1.00 -0.73 N ATOM 1607 CA TRP A 104 12.714 1.961 -5.737 1.00 0.36 C ATOM 1608 C TRP A 104 12.963 1.010 -6.920 1.00 0.57 C ATOM 1609 O TRP A 104 13.427 1.484 -7.948 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.741 3.104 -6.105 1.00 0.18 C ATOM 1611 CG TRP A 104 11.475 4.115 -5.016 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 12.054 5.337 -4.938 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.706 3.983 -3.771 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.716 5.954 -3.753 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.917 5.153 -2.978 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 9.900 2.979 -3.188 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.404 5.297 -1.682 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.336 3.140 -1.908 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.610 4.280 -1.143 1.00 -0.15 C ATOM 0 H TRP A 104 14.596 2.648 -6.271 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.286 1.400 -4.906 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.139 3.629 -6.973 1.00 0.18 H new ATOM 0 HB3 TRP A 104 10.790 2.664 -6.407 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.691 5.767 -5.697 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 12.022 6.890 -3.486 1.00 0.03 H new ATOM 0 HE3 TRP A 104 9.713 2.068 -3.737 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.620 6.184 -1.105 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 8.684 2.375 -1.512 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.211 4.373 -0.144 1.00 -0.15 H new ATOM 1630 N THR A 105 12.698 -0.300 -6.817 1.00 -0.73 N ATOM 1631 CA THR A 105 12.992 -1.264 -7.895 1.00 0.36 C ATOM 1632 C THR A 105 11.804 -2.213 -8.064 1.00 0.57 C ATOM 1633 O THR A 105 11.144 -2.550 -7.080 1.00 -0.57 O ATOM 1634 CB THR A 105 14.335 -1.990 -7.627 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.691 -2.873 -8.670 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.356 -2.796 -6.327 1.00 0.00 C ATOM 0 H THR A 105 12.276 -0.723 -5.990 1.00 -0.73 H new ATOM 0 HA THR A 105 13.123 -0.743 -8.843 1.00 0.36 H new ATOM 0 HB THR A 105 15.053 -1.173 -7.553 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.378 -3.495 -8.352 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.329 -3.274 -6.211 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.176 -2.130 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.578 -3.559 -6.359 1.00 0.00 H new ATOM 1644 N ASP A 106 11.506 -2.631 -9.300 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.418 -3.571 -9.583 1.00 0.36 C ATOM 1646 C ASP A 106 10.746 -4.960 -9.023 1.00 0.57 C ATOM 1647 O ASP A 106 9.911 -5.572 -8.361 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.097 -3.612 -11.094 1.00 0.06 C ATOM 1649 CG ASP A 106 11.192 -4.130 -12.036 1.00 0.66 C ATOM 1650 OD1 ASP A 106 12.332 -4.275 -11.628 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 10.815 -4.355 -13.292 1.00 -0.65 O ATOM 0 H ASP A 106 12.013 -2.326 -10.131 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.517 -3.221 -9.078 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.212 -4.233 -11.233 1.00 0.06 H new ATOM 0 HB3 ASP A 106 9.832 -2.603 -11.409 1.00 0.06 H new ATOM 1657 N GLY A 107 11.976 -5.417 -9.256 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.496 -6.706 -8.840 1.00 0.36 C ATOM 1659 C GLY A 107 13.642 -7.164 -9.743 1.00 0.57 C ATOM 1660 O GLY A 107 13.707 -8.354 -10.063 1.00 -0.57 O ATOM 0 H GLY A 107 12.666 -4.866 -9.766 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 12.846 -6.643 -7.810 1.00 0.36 H new ATOM 0 HA3 GLY A 107 11.696 -7.446 -8.861 1.00 0.36 H new ATOM 1664 N SER A 108 14.520 -6.235 -10.157 1.00 -0.73 N ATOM 1665 CA SER A 108 15.629 -6.480 -11.080 1.00 0.36 C ATOM 1666 C SER A 108 16.896 -5.770 -10.586 1.00 0.57 C ATOM 1667 O SER A 108 17.863 -6.428 -10.191 1.00 -0.57 O ATOM 1668 CB SER A 108 15.230 -5.996 -12.488 1.00 0.28 C ATOM 1669 OG SER A 108 14.696 -7.056 -13.257 1.00 -0.68 O ATOM 0 H SER A 108 14.472 -5.265 -9.846 1.00 -0.73 H new ATOM 0 HA SER A 108 15.845 -7.548 -11.124 1.00 0.36 H new ATOM 0 HB2 SER A 108 14.495 -5.195 -12.406 1.00 0.28 H new ATOM 0 HB3 SER A 108 16.101 -5.579 -12.993 1.00 0.28 H new ATOM 0 HG SER A 108 14.449 -6.724 -14.145 1.00 -0.68 H new ATOM 1675 N SER A 109 16.893 -4.434 -10.584 1.00 -0.73 N ATOM 1676 CA SER A 109 18.031 -3.627 -10.153 1.00 0.36 C ATOM 1677 C SER A 109 18.013 -3.452 -8.630 1.00 0.57 C ATOM 1678 O SER A 109 17.008 -3.754 -7.985 1.00 -0.57 O ATOM 1679 CB SER A 109 17.970 -2.275 -10.872 1.00 0.28 C ATOM 1680 OG SER A 109 17.892 -2.507 -12.268 1.00 -0.68 O ATOM 0 H SER A 109 16.091 -3.880 -10.885 1.00 -0.73 H new ATOM 0 HA SER A 109 18.965 -4.126 -10.411 1.00 0.36 H new ATOM 0 HB2 SER A 109 17.104 -1.706 -10.534 1.00 0.28 H new ATOM 0 HB3 SER A 109 18.853 -1.681 -10.636 1.00 0.28 H new ATOM 0 HG SER A 109 17.851 -1.649 -12.740 1.00 -0.68 H new ATOM 1686 N LEU A 110 19.117 -2.945 -8.065 1.00 -0.73 N ATOM 1687 CA LEU A 110 19.253 -2.657 -6.637 1.00 0.36 C ATOM 1688 C LEU A 110 18.176 -1.677 -6.160 1.00 0.57 C ATOM 1689 O LEU A 110 17.771 -0.789 -6.910 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.631 -2.043 -6.335 1.00 0.00 C ATOM 1691 CG LEU A 110 21.835 -2.878 -6.828 1.00 0.00 C ATOM 1692 CD1 LEU A 110 22.542 -2.145 -7.974 1.00 0.00 C ATOM 1693 CD2 LEU A 110 22.835 -3.132 -5.695 1.00 0.00 C ATOM 0 H LEU A 110 19.955 -2.720 -8.601 1.00 -0.73 H new ATOM 0 HA LEU A 110 19.141 -3.604 -6.110 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.681 -1.055 -6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.722 -1.901 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 110 21.458 -3.839 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 110 23.390 -2.738 -8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.844 -1.999 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.896 -1.176 -7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 110 23.670 -3.722 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.205 -2.179 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.342 -3.676 -4.890 1.00 0.00 H new ATOM 1705 N GLY A 111 17.778 -1.783 -4.886 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.814 -0.882 -4.275 1.00 0.36 C ATOM 1707 C GLY A 111 15.952 -1.595 -3.245 1.00 0.57 C ATOM 1708 O GLY A 111 16.415 -2.510 -2.556 1.00 -0.57 O ATOM 0 H GLY A 111 18.123 -2.504 -4.252 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.340 -0.055 -3.799 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.177 -0.452 -5.048 1.00 0.36 H new ATOM 1712 N ILE A 112 14.690 -1.162 -3.159 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.651 -1.804 -2.366 1.00 0.36 C ATOM 1714 C ILE A 112 12.488 -2.161 -3.299 1.00 0.57 C ATOM 1715 O ILE A 112 12.182 -1.403 -4.225 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.234 -0.897 -1.183 1.00 0.00 C ATOM 1717 CG1 ILE A 112 12.314 0.287 -1.559 1.00 0.00 C ATOM 1718 CG2 ILE A 112 14.465 -0.387 -0.413 1.00 0.00 C ATOM 1719 CD1 ILE A 112 10.827 -0.087 -1.602 1.00 0.00 C ATOM 0 H ILE A 112 14.360 -0.333 -3.654 1.00 -0.73 H new ATOM 0 HA ILE A 112 14.016 -2.726 -1.914 1.00 0.36 H new ATOM 0 HB ILE A 112 12.635 -1.543 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 112 12.458 1.092 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.612 0.674 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 112 14.141 0.247 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 112 15.026 -1.235 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 112 15.102 0.189 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 112 10.239 0.790 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.670 -0.871 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.514 -0.446 -0.622 1.00 0.00 H new ATOM 1731 N ASN A 113 11.862 -3.317 -3.052 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.755 -3.819 -3.864 1.00 0.36 C ATOM 1733 C ASN A 113 9.570 -2.841 -3.872 1.00 0.57 C ATOM 1734 O ASN A 113 8.858 -2.693 -2.875 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.324 -5.221 -3.401 1.00 0.06 C ATOM 1736 CG ASN A 113 9.287 -5.823 -4.357 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.565 -5.124 -5.052 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.155 -7.130 -4.416 1.00 -0.80 N ATOM 0 H ASN A 113 12.113 -3.932 -2.278 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.110 -3.902 -4.891 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.195 -5.873 -3.347 1.00 0.06 H new ATOM 0 HB3 ASN A 113 9.906 -5.163 -2.396 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.458 -7.545 -5.035 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 9.749 -7.729 -3.843 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.340 -2.218 -5.028 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.272 -1.269 -5.294 1.00 0.36 C ATOM 1747 C PHE A 114 6.881 -1.905 -5.258 1.00 0.57 C ATOM 1748 O PHE A 114 5.934 -1.260 -4.811 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.513 -0.648 -6.677 1.00 0.14 C ATOM 1750 CG PHE A 114 7.733 0.626 -6.892 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 8.204 1.796 -6.285 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 6.547 0.660 -7.647 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 7.527 3.010 -6.449 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 5.858 1.874 -7.811 1.00 -0.15 C ATOM 1755 CZ PHE A 114 6.353 3.052 -7.219 1.00 -0.15 C ATOM 0 H PHE A 114 9.930 -2.374 -5.846 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.292 -0.516 -4.506 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.577 -0.442 -6.797 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.240 -1.370 -7.447 1.00 0.14 H new ATOM 0 HD1 PHE A 114 9.100 1.762 -5.683 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 6.167 -0.244 -8.099 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 7.905 3.909 -5.986 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 4.948 1.903 -8.392 1.00 -0.15 H new ATOM 0 HZ PHE A 114 5.830 3.987 -7.357 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.743 -3.161 -5.699 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.479 -3.892 -5.637 1.00 0.36 C ATOM 1767 C LEU A 115 5.108 -4.180 -4.188 1.00 0.57 C ATOM 1768 O LEU A 115 3.932 -4.094 -3.841 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.573 -5.246 -6.371 1.00 0.00 C ATOM 1770 CG LEU A 115 4.762 -5.317 -7.674 1.00 0.00 C ATOM 1771 CD1 LEU A 115 5.702 -5.214 -8.873 1.00 0.00 C ATOM 1772 CD2 LEU A 115 3.981 -6.633 -7.773 1.00 0.00 C ATOM 0 H LEU A 115 7.508 -3.697 -6.109 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.725 -3.266 -6.115 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.619 -5.452 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.231 -6.034 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 115 4.055 -4.487 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.123 -5.265 -9.795 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.239 -4.266 -8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.416 -6.037 -8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.418 -6.652 -8.706 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.677 -7.472 -7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.293 -6.712 -6.932 1.00 0.00 H new ATOM 1784 N TYR A 116 6.109 -4.535 -3.368 1.00 -0.73 N ATOM 1785 CA TYR A 116 5.935 -4.753 -1.940 1.00 0.36 C ATOM 1786 C TYR A 116 5.564 -3.424 -1.281 1.00 0.57 C ATOM 1787 O TYR A 116 4.598 -3.379 -0.526 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.215 -5.363 -1.342 1.00 0.14 C ATOM 1789 CG TYR A 116 7.064 -6.030 0.016 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.348 -7.234 0.112 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.706 -5.516 1.162 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.284 -7.930 1.330 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.610 -6.179 2.399 1.00 -0.15 C ATOM 1794 CZ TYR A 116 6.905 -7.403 2.480 1.00 0.08 C ATOM 1795 OH TYR A 116 6.834 -8.108 3.643 1.00 -0.53 O ATOM 0 H TYR A 116 7.067 -4.678 -3.689 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.128 -5.462 -1.756 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.606 -6.099 -2.045 1.00 0.14 H new ATOM 0 HB3 TYR A 116 7.964 -4.575 -1.257 1.00 0.14 H new ATOM 0 HD1 TYR A 116 5.843 -7.628 -0.757 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 8.278 -4.603 1.089 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 5.758 -8.871 1.386 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 8.071 -5.757 3.280 1.00 -0.15 H new ATOM 0 HH TYR A 116 7.308 -7.622 4.350 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.276 -2.339 -1.627 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.009 -1.001 -1.111 1.00 0.36 C ATOM 1807 C ALA A 117 4.581 -0.571 -1.415 1.00 0.57 C ATOM 1808 O ALA A 117 3.819 -0.268 -0.496 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.007 0.005 -1.703 1.00 0.00 C ATOM 0 H ALA A 117 7.059 -2.374 -2.280 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.131 -1.024 -0.028 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.797 1.000 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.022 -0.286 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.912 0.016 -2.789 1.00 0.00 H new ATOM 1815 N ALA A 118 4.205 -0.584 -2.698 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.882 -0.171 -3.113 1.00 0.36 C ATOM 1817 C ALA A 118 1.830 -1.082 -2.478 1.00 0.57 C ATOM 1818 O ALA A 118 0.936 -0.555 -1.832 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.792 -0.124 -4.641 1.00 0.00 C ATOM 0 H ALA A 118 4.811 -0.880 -3.463 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.682 0.841 -2.761 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.791 0.188 -4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.523 0.587 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.999 -1.114 -5.048 1.00 0.00 H new ATOM 1825 N THR A 119 1.963 -2.416 -2.561 1.00 -0.73 N ATOM 1826 CA THR A 119 1.031 -3.352 -1.916 1.00 0.36 C ATOM 1827 C THR A 119 0.853 -3.015 -0.428 1.00 0.57 C ATOM 1828 O THR A 119 -0.288 -2.972 0.038 1.00 -0.57 O ATOM 1829 CB THR A 119 1.528 -4.806 -2.096 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.626 -5.120 -3.478 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.698 -5.851 -1.320 1.00 0.00 C ATOM 0 H THR A 119 2.716 -2.873 -3.075 1.00 -0.73 H new ATOM 0 HA THR A 119 0.057 -3.255 -2.396 1.00 0.36 H new ATOM 0 HB THR A 119 2.522 -4.859 -1.651 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.560 -5.047 -3.765 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.108 -6.845 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.736 -5.627 -0.254 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.337 -5.820 -1.661 1.00 0.00 H new ATOM 1839 N HIS A 120 1.954 -2.762 0.294 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.933 -2.446 1.719 1.00 0.36 C ATOM 1841 C HIS A 120 1.142 -1.154 1.952 1.00 0.57 C ATOM 1842 O HIS A 120 0.189 -1.154 2.733 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.389 -2.382 2.242 1.00 0.17 C ATOM 1844 CG HIS A 120 3.550 -2.178 3.732 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.447 -2.823 4.571 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.864 -1.284 4.501 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.266 -2.337 5.817 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.290 -1.415 5.794 1.00 -0.70 N ATOM 0 H HIS A 120 2.893 -2.773 -0.105 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.422 -3.224 2.286 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.894 -3.307 1.965 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.904 -1.571 1.727 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.122 -3.536 4.296 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.113 -0.592 4.149 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.819 -2.641 6.694 1.00 0.65 H new ATOM 1857 N GLU A 121 1.511 -0.055 1.286 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.873 1.240 1.527 1.00 0.36 C ATOM 1859 C GLU A 121 -0.596 1.220 1.081 1.00 0.57 C ATOM 1860 O GLU A 121 -1.478 1.711 1.791 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.660 2.350 0.808 1.00 0.00 C ATOM 1862 CG GLU A 121 3.110 2.549 1.298 1.00 0.06 C ATOM 1863 CD GLU A 121 3.260 2.438 2.813 1.00 0.66 C ATOM 1864 OE1 GLU A 121 2.987 3.417 3.489 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.639 1.275 3.334 1.00 -0.65 O ATOM 0 H GLU A 121 2.246 -0.038 0.579 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.884 1.445 2.598 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.681 2.126 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.121 3.290 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.751 1.807 0.822 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.463 3.529 0.976 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.872 0.592 -0.070 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.218 0.442 -0.605 1.00 0.36 C ATOM 1875 C LEU A 122 -3.107 -0.393 0.319 1.00 0.57 C ATOM 1876 O LEU A 122 -4.314 -0.185 0.311 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.206 -0.164 -2.024 1.00 0.00 C ATOM 1878 CG LEU A 122 -2.097 0.846 -3.188 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -3.310 1.778 -3.195 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -0.838 1.727 -3.222 1.00 0.00 C ATOM 0 H LEU A 122 -0.152 0.171 -0.658 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.640 1.445 -0.667 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.371 -0.861 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.118 -0.746 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.043 0.206 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.221 2.485 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.220 1.190 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.355 2.324 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.882 2.391 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.785 2.321 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.047 1.095 -3.296 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.556 -1.291 1.140 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.348 -2.041 2.106 1.00 0.36 C ATOM 1894 C GLY A 123 -3.933 -1.167 3.199 1.00 0.57 C ATOM 1895 O GLY A 123 -5.125 -1.264 3.513 1.00 -0.57 O ATOM 0 H GLY A 123 -1.561 -1.514 1.151 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.157 -2.552 1.585 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.724 -2.811 2.559 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.119 -0.263 3.745 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.625 0.727 4.685 1.00 0.36 C ATOM 1901 C HIS A 124 -4.616 1.649 3.988 1.00 0.57 C ATOM 1902 O HIS A 124 -5.656 1.951 4.565 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.473 1.508 5.309 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.545 0.614 6.085 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.900 -0.241 7.104 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.212 0.433 5.849 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.794 -0.902 7.483 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.268 -0.517 6.757 1.00 -0.70 N ATOM 0 H HIS A 124 -2.119 -0.199 3.553 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.151 0.218 5.493 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.914 2.019 4.525 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.872 2.278 5.969 1.00 0.17 H new ATOM 0 HD1 HIS A 124 -2.834 -0.352 7.499 1.00 -0.70 H new ATOM 0 HD2 HIS A 124 0.371 0.936 5.092 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.763 -1.644 8.267 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.228 -0.849 6.849 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.340 2.011 2.730 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.269 2.764 1.902 1.00 0.36 C ATOM 1919 C SER A 125 -6.607 2.028 1.705 1.00 0.57 C ATOM 1920 O SER A 125 -7.658 2.662 1.626 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.595 3.069 0.562 1.00 0.28 C ATOM 1922 OG SER A 125 -5.224 4.149 -0.074 1.00 -0.68 O ATOM 0 H SER A 125 -3.462 1.786 2.263 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.515 3.696 2.410 1.00 0.36 H new ATOM 0 HB2 SER A 125 -3.542 3.298 0.723 1.00 0.28 H new ATOM 0 HB3 SER A 125 -4.635 2.189 -0.080 1.00 0.28 H new ATOM 0 HG SER A 125 -4.604 4.907 -0.122 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.589 0.691 1.640 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.785 -0.136 1.507 1.00 0.36 C ATOM 1930 C LEU A 126 -8.581 -0.191 2.819 1.00 0.57 C ATOM 1931 O LEU A 126 -9.810 -0.188 2.781 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.388 -1.568 1.076 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.145 -2.166 -0.123 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.662 -1.946 -0.086 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -7.583 -1.642 -1.447 1.00 0.00 C ATOM 0 H LEU A 126 -5.726 0.149 1.679 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.421 0.315 0.746 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.324 -1.569 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.527 -2.231 1.930 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.985 -3.241 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.117 -2.399 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.075 -2.406 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.874 -0.877 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.137 -2.081 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.681 -0.557 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.531 -1.914 -1.529 1.00 0.00 H new ATOM 1947 N GLY A 127 -7.889 -0.253 3.970 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.500 -0.295 5.305 1.00 0.36 C ATOM 1949 C GLY A 127 -7.807 -1.218 6.311 1.00 0.57 C ATOM 1950 O GLY A 127 -8.380 -1.491 7.369 1.00 -0.57 O ATOM 0 H GLY A 127 -6.870 -0.276 3.996 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.513 0.716 5.713 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.538 -0.611 5.202 1.00 0.36 H new ATOM 1954 N MET A 128 -6.623 -1.746 5.987 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.969 -2.787 6.773 1.00 0.36 C ATOM 1956 C MET A 128 -4.990 -2.176 7.779 1.00 0.57 C ATOM 1957 O MET A 128 -4.480 -1.067 7.596 1.00 -0.57 O ATOM 1958 CB MET A 128 -5.276 -3.790 5.825 1.00 0.00 C ATOM 1959 CG MET A 128 -6.045 -5.112 5.682 1.00 0.23 C ATOM 1960 SD MET A 128 -7.824 -5.029 5.324 1.00 -0.46 S ATOM 1961 CE MET A 128 -7.915 -3.999 3.836 1.00 0.23 C ATOM 0 H MET A 128 -6.091 -1.459 5.166 1.00 -0.73 H new ATOM 0 HA MET A 128 -6.717 -3.328 7.352 1.00 0.36 H new ATOM 0 HB2 MET A 128 -5.164 -3.333 4.842 1.00 0.00 H new ATOM 0 HB3 MET A 128 -4.273 -3.998 6.196 1.00 0.00 H new ATOM 0 HG2 MET A 128 -5.571 -5.690 4.888 1.00 0.23 H new ATOM 0 HG3 MET A 128 -5.916 -5.675 6.606 1.00 0.23 H new ATOM 0 HE1 MET A 128 -8.274 -3.005 4.103 1.00 0.23 H new ATOM 0 HE2 MET A 128 -6.925 -3.919 3.388 1.00 0.23 H new ATOM 0 HE3 MET A 128 -8.601 -4.453 3.121 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.691 -2.946 8.827 1.00 -0.73 N ATOM 1972 CA GLY A 129 -3.707 -2.606 9.846 1.00 0.36 C ATOM 1973 C GLY A 129 -2.457 -3.466 9.690 1.00 0.57 C ATOM 1974 O GLY A 129 -2.392 -4.333 8.820 1.00 -0.57 O ATOM 0 H GLY A 129 -5.141 -3.847 8.991 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -3.442 -1.552 9.767 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.136 -2.753 10.837 1.00 0.36 H new ATOM 1978 N HIS A 130 -1.458 -3.223 10.542 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.275 -4.071 10.644 1.00 0.36 C ATOM 1980 C HIS A 130 -0.600 -5.408 11.325 1.00 0.57 C ATOM 1981 O HIS A 130 -1.626 -5.549 12.005 1.00 -0.57 O ATOM 1982 CB HIS A 130 0.803 -3.349 11.464 1.00 0.17 C ATOM 1983 CG HIS A 130 1.399 -2.140 10.799 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.719 -0.952 11.416 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.823 -2.051 9.501 1.00 0.20 C ATOM 1986 CE1 HIS A 130 2.321 -0.166 10.509 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.404 -0.796 9.327 1.00 -0.70 N ATOM 0 H HIS A 130 -1.450 -2.429 11.182 1.00 -0.73 H new ATOM 0 HA HIS A 130 0.081 -4.272 9.634 1.00 0.36 H new ATOM 0 HB2 HIS A 130 0.371 -3.045 12.418 1.00 0.17 H new ATOM 0 HB3 HIS A 130 1.603 -4.055 11.687 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.725 -2.817 8.746 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.687 0.832 10.703 1.00 0.65 H new ATOM 0 HE2 HIS A 130 2.813 -0.428 8.468 1.00 -0.70 H new ATOM 1996 N SER A 131 0.352 -6.343 11.206 1.00 -0.73 N ATOM 1997 CA SER A 131 0.276 -7.725 11.679 1.00 0.36 C ATOM 1998 C SER A 131 1.429 -8.079 12.638 1.00 0.57 C ATOM 1999 O SER A 131 1.157 -8.610 13.715 1.00 -0.57 O ATOM 2000 CB SER A 131 0.270 -8.630 10.440 1.00 0.28 C ATOM 2001 OG SER A 131 0.224 -9.998 10.776 1.00 -0.68 O ATOM 0 H SER A 131 1.243 -6.141 10.752 1.00 -0.73 H new ATOM 0 HA SER A 131 -0.635 -7.868 12.261 1.00 0.36 H new ATOM 0 HB2 SER A 131 -0.589 -8.382 9.816 1.00 0.28 H new ATOM 0 HB3 SER A 131 1.162 -8.434 9.846 1.00 0.28 H new ATOM 0 HG SER A 131 -0.242 -10.493 10.070 1.00 -0.68 H new ATOM 2007 N SER A 132 2.681 -7.721 12.291 1.00 -0.73 N ATOM 2008 CA SER A 132 3.887 -7.951 13.100 1.00 0.36 C ATOM 2009 C SER A 132 4.335 -9.434 13.103 1.00 0.57 C ATOM 2010 O SER A 132 4.676 -9.983 14.149 1.00 -0.57 O ATOM 2011 CB SER A 132 3.719 -7.346 14.510 1.00 0.28 C ATOM 2012 OG SER A 132 4.963 -6.914 15.027 1.00 -0.68 O ATOM 0 H SER A 132 2.884 -7.248 11.410 1.00 -0.73 H new ATOM 0 HA SER A 132 4.715 -7.422 12.628 1.00 0.36 H new ATOM 0 HB2 SER A 132 3.026 -6.505 14.469 1.00 0.28 H new ATOM 0 HB3 SER A 132 3.281 -8.088 15.178 1.00 0.28 H new ATOM 0 HG SER A 132 4.831 -6.533 15.920 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.328 -10.100 11.937 1.00 -0.73 N ATOM 2019 CA ASP A 133 4.635 -11.537 11.790 1.00 0.36 C ATOM 2020 C ASP A 133 5.896 -11.708 10.908 1.00 0.57 C ATOM 2021 O ASP A 133 6.170 -10.843 10.069 1.00 -0.57 O ATOM 2022 CB ASP A 133 3.404 -12.243 11.172 1.00 0.06 C ATOM 2023 CG ASP A 133 3.076 -13.668 11.649 1.00 0.66 C ATOM 2024 OD1 ASP A 133 3.188 -13.986 12.821 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 2.629 -14.505 10.717 1.00 -0.65 O ATOM 0 H ASP A 133 4.105 -9.648 11.050 1.00 -0.73 H new ATOM 0 HA ASP A 133 4.845 -11.990 12.759 1.00 0.36 H new ATOM 0 HB2 ASP A 133 2.531 -11.618 11.360 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.545 -12.276 10.092 1.00 0.06 H new ATOM 2031 N PRO A 134 6.664 -12.815 11.030 1.00 -0.66 N ATOM 2032 CA PRO A 134 7.963 -12.976 10.370 1.00 0.36 C ATOM 2033 C PRO A 134 7.883 -13.133 8.843 1.00 0.57 C ATOM 2034 O PRO A 134 8.915 -13.122 8.175 1.00 -0.57 O ATOM 2035 CB PRO A 134 8.639 -14.168 11.050 1.00 0.00 C ATOM 2036 CG PRO A 134 7.486 -14.991 11.620 1.00 0.00 C ATOM 2037 CD PRO A 134 6.356 -13.987 11.834 1.00 0.30 C ATOM 0 HA PRO A 134 8.549 -12.065 10.487 1.00 0.36 H new ATOM 0 HB2 PRO A 134 9.227 -14.749 10.339 1.00 0.00 H new ATOM 0 HB3 PRO A 134 9.320 -13.842 11.836 1.00 0.00 H new ATOM 0 HG2 PRO A 134 7.187 -15.782 10.932 1.00 0.00 H new ATOM 0 HG3 PRO A 134 7.769 -15.473 12.556 1.00 0.00 H new ATOM 0 HD2 PRO A 134 5.399 -14.416 11.538 1.00 0.30 H new ATOM 0 HD3 PRO A 134 6.273 -13.720 12.888 1.00 0.30 H new ATOM 2045 N ASN A 135 6.673 -13.238 8.288 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.415 -13.358 6.855 1.00 0.36 C ATOM 2047 C ASN A 135 5.218 -12.468 6.447 1.00 0.57 C ATOM 2048 O ASN A 135 4.628 -12.676 5.381 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.231 -14.854 6.509 1.00 0.06 C ATOM 2050 CG ASN A 135 7.562 -15.611 6.377 1.00 0.57 C ATOM 2051 OD1 ASN A 135 8.276 -15.861 7.345 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 7.936 -16.012 5.170 1.00 -0.80 N ATOM 0 H ASN A 135 5.818 -13.242 8.845 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.261 -12.992 6.273 1.00 0.36 H new ATOM 0 HB2 ASN A 135 5.626 -15.328 7.282 1.00 0.06 H new ATOM 0 HB3 ASN A 135 5.677 -14.939 5.574 1.00 0.06 H new ATOM 0 HD21 ASN A 135 8.810 -16.524 5.051 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 7.349 -15.809 4.361 1.00 -0.80 H new ATOM 2059 N ALA A 136 4.840 -11.488 7.291 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.746 -10.557 7.010 1.00 0.36 C ATOM 2061 C ALA A 136 4.116 -9.599 5.872 1.00 0.57 C ATOM 2062 O ALA A 136 5.165 -8.959 5.896 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.372 -9.775 8.278 1.00 0.00 C ATOM 0 H ALA A 136 5.292 -11.325 8.191 1.00 -0.73 H new ATOM 0 HA ALA A 136 2.880 -11.136 6.690 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.557 -9.087 8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.056 -10.471 9.055 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.238 -9.211 8.627 1.00 0.00 H new ATOM 2069 N VAL A 137 3.223 -9.467 4.892 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.394 -8.608 3.721 1.00 0.36 C ATOM 2071 C VAL A 137 3.278 -7.111 4.087 1.00 0.57 C ATOM 2072 O VAL A 137 3.907 -6.270 3.443 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.421 -9.097 2.628 1.00 0.00 C ATOM 2074 CG1 VAL A 137 0.967 -9.151 3.103 1.00 0.00 C ATOM 2075 CG2 VAL A 137 2.490 -8.296 1.321 1.00 0.00 C ATOM 0 H VAL A 137 2.335 -9.969 4.891 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.403 -8.687 3.317 1.00 0.36 H new ATOM 0 HB VAL A 137 2.767 -10.109 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.331 -9.502 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.886 -9.834 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.647 -8.155 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.775 -8.704 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.248 -7.252 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.496 -8.362 0.906 1.00 0.00 H new ATOM 2085 N MET A 138 2.568 -6.772 5.173 1.00 -0.73 N ATOM 2086 CA MET A 138 2.539 -5.448 5.786 1.00 0.36 C ATOM 2087 C MET A 138 3.478 -5.373 7.002 1.00 0.57 C ATOM 2088 O MET A 138 3.310 -4.495 7.852 1.00 -0.57 O ATOM 2089 CB MET A 138 1.082 -5.008 6.102 1.00 0.00 C ATOM 2090 CG MET A 138 0.598 -3.867 5.185 1.00 0.23 C ATOM 2091 SD MET A 138 -0.898 -4.187 4.217 1.00 -0.46 S ATOM 2092 CE MET A 138 -0.327 -5.667 3.348 1.00 0.23 C ATOM 0 H MET A 138 1.977 -7.444 5.663 1.00 -0.73 H new ATOM 0 HA MET A 138 2.924 -4.726 5.066 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.416 -5.864 5.994 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.021 -4.685 7.141 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.423 -2.985 5.801 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.404 -3.619 4.495 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.496 -5.549 2.278 1.00 0.23 H new ATOM 0 HE2 MET A 138 0.738 -5.810 3.533 1.00 0.23 H new ATOM 0 HE3 MET A 138 -0.878 -6.536 3.709 1.00 0.23 H new ATOM 2102 N TYR A 139 4.485 -6.252 7.116 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.498 -6.111 8.162 1.00 0.36 C ATOM 2104 C TYR A 139 6.216 -4.746 8.030 1.00 0.57 C ATOM 2105 O TYR A 139 6.544 -4.352 6.905 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.505 -7.271 8.110 1.00 0.14 C ATOM 2107 CG TYR A 139 7.428 -7.357 9.310 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 6.892 -7.618 10.584 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.812 -7.169 9.163 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 7.719 -7.602 11.723 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 9.651 -7.165 10.290 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.105 -7.352 11.582 1.00 0.08 C ATOM 2113 OH TYR A 139 9.915 -7.350 12.680 1.00 -0.53 O ATOM 0 H TYR A 139 4.616 -7.057 6.503 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.002 -6.147 9.132 1.00 0.36 H new ATOM 0 HB2 TYR A 139 5.956 -8.208 8.022 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.110 -7.170 7.209 1.00 0.14 H new ATOM 0 HD1 TYR A 139 5.839 -7.832 10.689 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.233 -7.027 8.179 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 7.297 -7.780 12.701 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 10.714 -7.019 10.170 1.00 -0.15 H new ATOM 0 HH TYR A 139 10.837 -7.163 12.406 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.452 -4.013 9.138 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.338 -2.844 9.168 1.00 0.36 C ATOM 2125 C PRO A 140 8.828 -3.247 9.032 1.00 0.57 C ATOM 2126 O PRO A 140 9.115 -4.361 8.615 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.977 -2.113 10.473 1.00 0.00 C ATOM 2128 CG PRO A 140 6.368 -3.171 11.388 1.00 0.00 C ATOM 2129 CD PRO A 140 5.811 -4.218 10.431 1.00 0.30 C ATOM 0 HA PRO A 140 7.197 -2.176 8.318 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.861 -1.665 10.927 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.270 -1.305 10.286 1.00 0.00 H new ATOM 0 HG2 PRO A 140 7.116 -3.599 12.055 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.584 -2.750 12.017 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.011 -5.223 10.803 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.729 -4.120 10.343 1.00 0.30 H new ATOM 2137 N THR A 141 9.780 -2.354 9.367 1.00 -0.73 N ATOM 2138 CA THR A 141 11.224 -2.629 9.540 1.00 0.36 C ATOM 2139 C THR A 141 11.819 -3.674 8.562 1.00 0.57 C ATOM 2140 O THR A 141 12.073 -4.811 8.960 1.00 -0.57 O ATOM 2141 CB THR A 141 11.534 -2.902 11.039 1.00 0.28 C ATOM 2142 OG1 THR A 141 12.885 -3.269 11.224 1.00 -0.68 O ATOM 2143 CG2 THR A 141 10.686 -3.983 11.721 1.00 0.00 C ATOM 0 H THR A 141 9.554 -1.373 9.533 1.00 -0.73 H new ATOM 0 HA THR A 141 11.758 -1.725 9.246 1.00 0.36 H new ATOM 0 HB THR A 141 11.287 -1.949 11.508 1.00 0.28 H new ATOM 0 HG1 THR A 141 13.052 -3.433 12.176 1.00 -0.68 H new ATOM 0 HG21 THR A 141 10.993 -4.084 12.762 1.00 0.00 H new ATOM 0 HG22 THR A 141 9.634 -3.701 11.679 1.00 0.00 H new ATOM 0 HG23 THR A 141 10.827 -4.934 11.208 1.00 0.00 H new ATOM 2151 N TYR A 142 12.070 -3.265 7.304 1.00 -0.73 N ATOM 2152 CA TYR A 142 12.492 -4.103 6.169 1.00 0.36 C ATOM 2153 C TYR A 142 13.498 -5.201 6.562 1.00 0.57 C ATOM 2154 O TYR A 142 14.660 -4.906 6.855 1.00 -0.57 O ATOM 2155 CB TYR A 142 13.045 -3.209 5.034 1.00 0.14 C ATOM 2156 CG TYR A 142 12.927 -3.757 3.613 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 13.494 -4.992 3.229 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 12.250 -2.992 2.645 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 13.323 -5.474 1.915 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 12.021 -3.490 1.353 1.00 -0.15 C ATOM 2161 CZ TYR A 142 12.547 -4.744 0.984 1.00 0.08 C ATOM 2162 OH TYR A 142 12.306 -5.234 -0.262 1.00 -0.53 O ATOM 0 H TYR A 142 11.978 -2.284 7.039 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.609 -4.633 5.812 1.00 0.36 H new ATOM 0 HB2 TYR A 142 12.528 -2.250 5.073 1.00 0.14 H new ATOM 0 HB3 TYR A 142 14.098 -3.013 5.237 1.00 0.14 H new ATOM 0 HD1 TYR A 142 14.061 -5.569 3.944 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 11.900 -2.003 2.901 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 13.786 -6.404 1.618 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 11.444 -2.914 0.644 1.00 -0.15 H new ATOM 0 HH TYR A 142 11.440 -4.904 -0.582 1.00 -0.53 H new ATOM 2172 N GLY A 143 13.043 -6.463 6.537 1.00 -0.73 N ATOM 2173 CA GLY A 143 13.867 -7.649 6.751 1.00 0.36 C ATOM 2174 C GLY A 143 13.178 -8.619 7.709 1.00 0.57 C ATOM 2175 O GLY A 143 13.060 -8.304 8.894 1.00 -0.57 O ATOM 0 H GLY A 143 12.063 -6.686 6.362 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.056 -8.144 5.798 1.00 0.36 H new ATOM 0 HA3 GLY A 143 14.836 -7.357 7.156 1.00 0.36 H new ATOM 2179 N ASN A 144 12.738 -9.786 7.206 1.00 -0.73 N ATOM 2180 CA ASN A 144 12.148 -10.875 8.008 1.00 0.36 C ATOM 2181 C ASN A 144 11.746 -12.081 7.146 1.00 0.57 C ATOM 2182 O ASN A 144 11.984 -13.239 7.508 1.00 -0.57 O ATOM 2183 CB ASN A 144 10.898 -10.373 8.770 1.00 0.06 C ATOM 2184 CG ASN A 144 11.067 -10.394 10.287 1.00 0.57 C ATOM 2185 OD1 ASN A 144 12.144 -10.645 10.825 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 9.981 -10.151 11.006 1.00 -0.80 N ATOM 0 H ASN A 144 12.783 -10.004 6.211 1.00 -0.73 H new ATOM 0 HA ASN A 144 12.917 -11.193 8.712 1.00 0.36 H new ATOM 0 HB2 ASN A 144 10.671 -9.356 8.451 1.00 0.06 H new ATOM 0 HB3 ASN A 144 10.043 -10.991 8.498 1.00 0.06 H new ATOM 0 HD21 ASN A 144 10.029 -10.170 12.025 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 9.097 -9.945 10.541 1.00 -0.80 H new ATOM 2193 N GLY A 145 11.150 -11.778 5.993 1.00 -0.73 N ATOM 2194 CA GLY A 145 10.686 -12.737 5.007 1.00 0.36 C ATOM 2195 C GLY A 145 11.341 -12.456 3.655 1.00 0.57 C ATOM 2196 O GLY A 145 12.360 -11.758 3.575 1.00 -0.57 O ATOM 0 H GLY A 145 10.973 -10.813 5.714 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 10.925 -13.750 5.332 1.00 0.36 H new ATOM 0 HA3 GLY A 145 9.602 -12.679 4.914 1.00 0.36 H new ATOM 2200 N ASP A 146 10.747 -13.007 2.593 1.00 -0.73 N ATOM 2201 CA ASP A 146 11.130 -12.726 1.219 1.00 0.36 C ATOM 2202 C ASP A 146 10.099 -11.718 0.664 1.00 0.57 C ATOM 2203 O ASP A 146 8.935 -12.080 0.477 1.00 -0.57 O ATOM 2204 CB ASP A 146 11.224 -14.035 0.404 1.00 0.06 C ATOM 2205 CG ASP A 146 11.632 -13.786 -1.052 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.065 -12.873 -1.628 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 12.494 -14.589 -1.668 1.00 -0.65 O ATOM 0 H ASP A 146 9.976 -13.670 2.672 1.00 -0.73 H new ATOM 0 HA ASP A 146 12.124 -12.283 1.152 1.00 0.36 H new ATOM 0 HB2 ASP A 146 11.948 -14.701 0.873 1.00 0.06 H new ATOM 0 HB3 ASP A 146 10.261 -14.545 0.427 1.00 0.06 H new ATOM 2213 N PRO A 147 10.488 -10.444 0.446 1.00 -0.66 N ATOM 2214 CA PRO A 147 9.636 -9.444 -0.183 1.00 0.36 C ATOM 2215 C PRO A 147 9.686 -9.495 -1.715 1.00 0.57 C ATOM 2216 O PRO A 147 8.903 -8.784 -2.338 1.00 -0.57 O ATOM 2217 CB PRO A 147 10.151 -8.097 0.327 1.00 0.00 C ATOM 2218 CG PRO A 147 11.634 -8.346 0.591 1.00 0.00 C ATOM 2219 CD PRO A 147 11.738 -9.840 0.879 1.00 0.30 C ATOM 0 HA PRO A 147 8.591 -9.620 0.073 1.00 0.36 H new ATOM 0 HB2 PRO A 147 10.004 -7.308 -0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 147 9.630 -7.788 1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.241 -8.067 -0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.989 -7.756 1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.583 -10.278 0.347 1.00 0.30 H new ATOM 0 HD3 PRO A 147 11.904 -10.017 1.942 1.00 0.30 H new ATOM 2227 N GLN A 148 10.564 -10.285 -2.353 1.00 -0.73 N ATOM 2228 CA GLN A 148 10.556 -10.504 -3.805 1.00 0.36 C ATOM 2229 C GLN A 148 9.318 -11.332 -4.198 1.00 0.57 C ATOM 2230 O GLN A 148 8.743 -11.117 -5.270 1.00 -0.57 O ATOM 2231 CB GLN A 148 11.858 -11.215 -4.253 1.00 0.00 C ATOM 2232 CG GLN A 148 13.070 -10.288 -4.442 1.00 0.06 C ATOM 2233 CD GLN A 148 13.131 -9.691 -5.849 1.00 0.57 C ATOM 2234 OE1 GLN A 148 12.155 -9.134 -6.337 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 14.269 -9.772 -6.527 1.00 -0.80 N ATOM 0 H GLN A 148 11.305 -10.793 -1.870 1.00 -0.73 H new ATOM 0 HA GLN A 148 10.508 -9.540 -4.311 1.00 0.36 H new ATOM 0 HB2 GLN A 148 12.112 -11.975 -3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.666 -11.734 -5.192 1.00 0.00 H new ATOM 0 HG2 GLN A 148 13.026 -9.482 -3.709 1.00 0.06 H new ATOM 0 HG3 GLN A 148 13.986 -10.846 -4.247 1.00 0.06 H new ATOM 0 HE21 GLN A 148 15.077 -10.237 -6.114 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 14.336 -9.369 -7.462 1.00 -0.80 H new ATOM 2244 N ASN A 149 8.878 -12.253 -3.325 1.00 -0.73 N ATOM 2245 CA ASN A 149 7.736 -13.134 -3.563 1.00 0.36 C ATOM 2246 C ASN A 149 6.822 -13.233 -2.337 1.00 0.57 C ATOM 2247 O ASN A 149 6.913 -14.169 -1.545 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.148 -14.514 -4.114 1.00 0.06 C ATOM 2249 CG ASN A 149 9.315 -15.205 -3.423 1.00 0.57 C ATOM 2250 OD1 ASN A 149 9.138 -16.210 -2.738 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 10.534 -14.765 -3.691 1.00 -0.80 N ATOM 0 H ASN A 149 9.319 -12.404 -2.418 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.146 -12.668 -4.353 1.00 0.36 H new ATOM 0 HB2 ASN A 149 7.282 -15.174 -4.061 1.00 0.06 H new ATOM 0 HB3 ASN A 149 8.397 -14.399 -5.169 1.00 0.06 H new ATOM 0 HD21 ASN A 149 11.347 -15.262 -3.327 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 10.660 -13.929 -4.261 1.00 -0.80 H new ATOM 2258 N PHE A 150 5.880 -12.285 -2.251 1.00 -0.73 N ATOM 2259 CA PHE A 150 4.899 -12.154 -1.174 1.00 0.36 C ATOM 2260 C PHE A 150 3.516 -12.662 -1.604 1.00 0.57 C ATOM 2261 O PHE A 150 2.942 -13.494 -0.909 1.00 -0.57 O ATOM 2262 CB PHE A 150 4.838 -10.675 -0.750 1.00 0.14 C ATOM 2263 CG PHE A 150 4.515 -9.688 -1.866 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.525 -9.266 -2.754 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 3.201 -9.205 -2.036 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.225 -8.381 -3.803 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 2.901 -8.326 -3.093 1.00 -0.15 C ATOM 2268 CZ PHE A 150 3.911 -7.916 -3.972 1.00 -0.15 C ATOM 0 H PHE A 150 5.779 -11.560 -2.961 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.207 -12.770 -0.329 1.00 0.36 H new ATOM 0 HB2 PHE A 150 4.088 -10.570 0.034 1.00 0.14 H new ATOM 0 HB3 PHE A 150 5.797 -10.400 -0.311 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.536 -9.625 -2.627 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 2.423 -9.511 -1.353 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.004 -8.059 -4.478 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 1.891 -7.967 -3.226 1.00 -0.15 H new ATOM 0 HZ PHE A 150 3.679 -7.240 -4.782 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.009 -12.197 -2.759 1.00 -0.73 N ATOM 2279 CA LYS A 151 1.696 -12.515 -3.342 1.00 0.36 C ATOM 2280 C LYS A 151 0.569 -12.742 -2.315 1.00 0.57 C ATOM 2281 O LYS A 151 -0.225 -13.663 -2.476 1.00 -0.57 O ATOM 2282 CB LYS A 151 1.800 -13.620 -4.414 1.00 0.00 C ATOM 2283 CG LYS A 151 2.347 -14.989 -3.965 1.00 0.00 C ATOM 2284 CD LYS A 151 3.883 -15.086 -4.015 1.00 0.00 C ATOM 2285 CE LYS A 151 4.305 -16.558 -4.109 1.00 0.50 C ATOM 2286 NZ LYS A 151 5.451 -16.782 -5.013 1.00 -0.85 N ATOM 0 H LYS A 151 3.537 -11.550 -3.345 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.376 -11.609 -3.857 1.00 0.36 H new ATOM 0 HB2 LYS A 151 0.807 -13.775 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.435 -13.250 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 151 2.012 -15.189 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 151 1.921 -15.767 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 151 4.264 -14.533 -4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 151 4.315 -14.630 -3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 151 4.561 -16.919 -3.113 1.00 0.50 H new ATOM 0 HE3 LYS A 151 3.458 -17.150 -4.455 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 5.164 -17.413 -5.788 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 5.766 -15.872 -5.406 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 6.232 -17.219 -4.482 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.490 -11.856 -1.310 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.482 -11.883 -0.221 1.00 0.36 C ATOM 2302 C LEU A 152 -0.261 -13.138 0.649 1.00 0.57 C ATOM 2303 O LEU A 152 -0.951 -14.138 0.483 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.938 -11.720 -0.729 1.00 0.00 C ATOM 2305 CG LEU A 152 -2.276 -10.358 -1.374 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.896 -10.283 -2.857 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.778 -10.050 -1.275 1.00 0.00 C ATOM 0 H LEU A 152 1.134 -11.068 -1.237 1.00 -0.73 H new ATOM 0 HA LEU A 152 -0.319 -11.016 0.419 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -2.139 -12.506 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.616 -11.882 0.109 1.00 0.00 H new ATOM 0 HG LEU A 152 -1.688 -9.630 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -2.159 -9.301 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.823 -10.442 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.435 -11.052 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.983 -9.085 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.343 -10.827 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -4.075 -10.020 -0.227 1.00 0.00 H new ATOM 2319 N SER A 153 0.732 -13.091 1.554 1.00 -0.73 N ATOM 2320 CA SER A 153 1.208 -14.241 2.330 1.00 0.36 C ATOM 2321 C SER A 153 0.111 -14.896 3.191 1.00 0.57 C ATOM 2322 O SER A 153 -0.482 -15.904 2.806 1.00 -0.57 O ATOM 2323 CB SER A 153 2.392 -13.806 3.222 1.00 0.28 C ATOM 2324 OG SER A 153 3.438 -13.169 2.524 1.00 -0.68 O ATOM 0 H SER A 153 1.235 -12.230 1.769 1.00 -0.73 H new ATOM 0 HA SER A 153 1.527 -14.997 1.613 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.022 -13.131 3.994 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.791 -14.684 3.730 1.00 0.28 H new ATOM 0 HG SER A 153 4.100 -12.832 3.163 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.139 -14.348 4.382 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.105 -14.839 5.361 1.00 0.36 C ATOM 2332 C GLN A 154 -1.731 -13.614 6.007 1.00 0.57 C ATOM 2333 O GLN A 154 -2.944 -13.513 6.001 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.443 -15.722 6.441 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.095 -17.154 5.994 1.00 0.06 C ATOM 2336 CD GLN A 154 -1.287 -18.121 5.986 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -2.451 -17.727 6.054 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -1.025 -19.425 5.952 1.00 -0.80 N ATOM 0 H GLN A 154 0.350 -13.512 4.703 1.00 -0.73 H new ATOM 0 HA GLN A 154 -1.847 -15.463 4.864 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.470 -15.232 6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.111 -15.779 7.301 1.00 0.00 H new ATOM 0 HG2 GLN A 154 0.333 -17.115 4.992 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.675 -17.551 6.655 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -0.060 -19.750 5.896 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -1.789 -20.100 5.982 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.914 -12.657 6.464 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.301 -11.334 6.959 1.00 0.36 C ATOM 2349 C ASP A 155 -2.370 -10.657 6.087 1.00 0.57 C ATOM 2350 O ASP A 155 -3.442 -10.326 6.594 1.00 -0.57 O ATOM 2351 CB ASP A 155 0.004 -10.529 7.072 1.00 0.06 C ATOM 2352 CG ASP A 155 -0.124 -9.016 6.938 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.771 -8.486 6.301 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 -1.115 -8.392 7.568 1.00 -0.65 O ATOM 0 H ASP A 155 0.096 -12.796 6.499 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.789 -11.405 7.931 1.00 0.36 H new ATOM 0 HB2 ASP A 155 0.460 -10.750 8.037 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.693 -10.884 6.305 1.00 0.06 H new ATOM 2360 N ASP A 156 -2.125 -10.546 4.775 1.00 -0.73 N ATOM 2361 CA ASP A 156 -3.072 -9.941 3.839 1.00 0.36 C ATOM 2362 C ASP A 156 -4.405 -10.688 3.858 1.00 0.57 C ATOM 2363 O ASP A 156 -5.459 -10.094 4.069 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.507 -9.988 2.414 1.00 0.06 C ATOM 2365 CG ASP A 156 -2.622 -8.642 1.712 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -3.759 -8.231 1.548 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -1.501 -8.047 1.314 1.00 -0.65 O ATOM 0 H ASP A 156 -1.265 -10.874 4.336 1.00 -0.73 H new ATOM 0 HA ASP A 156 -3.231 -8.907 4.146 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.461 -10.291 2.448 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -3.039 -10.745 1.837 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.339 -12.016 3.696 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.498 -12.902 3.682 1.00 0.36 C ATOM 2375 C ILE A 157 -6.230 -12.815 5.023 1.00 0.57 C ATOM 2376 O ILE A 157 -7.455 -12.827 5.052 1.00 -0.57 O ATOM 2377 CB ILE A 157 -5.050 -14.346 3.302 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -5.266 -14.626 1.797 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.762 -15.461 4.089 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -4.373 -13.779 0.891 1.00 0.00 C ATOM 0 H ILE A 157 -3.456 -12.510 3.569 1.00 -0.73 H new ATOM 0 HA ILE A 157 -6.213 -12.591 2.921 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.992 -14.371 3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.076 -15.681 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -6.310 -14.438 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.390 -16.432 3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.565 -15.337 5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.836 -15.404 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.575 -14.025 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -4.580 -12.722 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -3.327 -13.985 1.116 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.498 -12.713 6.137 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.047 -12.632 7.478 1.00 0.36 C ATOM 2394 C LYS A 158 -6.810 -11.319 7.597 1.00 0.57 C ATOM 2395 O LYS A 158 -7.968 -11.356 7.988 1.00 -0.57 O ATOM 2396 CB LYS A 158 -4.903 -12.762 8.503 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.319 -13.305 9.882 1.00 0.00 C ATOM 2398 CD LYS A 158 -4.724 -14.703 10.157 1.00 0.00 C ATOM 2399 CE LYS A 158 -5.391 -15.782 9.288 1.00 0.50 C ATOM 2400 NZ LYS A 158 -4.598 -17.034 9.219 1.00 -0.85 N ATOM 0 H LYS A 158 -4.479 -12.684 6.121 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.744 -13.445 7.682 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.137 -13.417 8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.445 -11.782 8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -4.992 -12.613 10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.406 -13.356 9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -3.652 -14.688 9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -4.852 -14.953 11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.380 -16.005 9.689 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -5.536 -15.393 8.280 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -5.093 -17.726 8.621 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -3.663 -16.831 8.811 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -4.481 -17.424 10.176 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.211 -10.185 7.210 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.877 -8.888 7.201 1.00 0.36 C ATOM 2416 C GLY A 159 -8.104 -8.900 6.290 1.00 0.57 C ATOM 2417 O GLY A 159 -9.205 -8.587 6.739 1.00 -0.57 O ATOM 0 H GLY A 159 -5.242 -10.148 6.893 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.177 -8.624 8.215 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -6.179 -8.121 6.865 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.937 -9.321 5.034 1.00 -0.73 N ATOM 2422 CA ILE A 160 -9.013 -9.346 4.055 1.00 0.36 C ATOM 2423 C ILE A 160 -10.145 -10.279 4.504 1.00 0.57 C ATOM 2424 O ILE A 160 -11.287 -9.828 4.562 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.433 -9.658 2.653 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.754 -8.408 2.041 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.481 -10.219 1.681 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.681 -7.195 1.847 1.00 0.00 C ATOM 0 H ILE A 160 -7.044 -9.655 4.671 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.479 -8.364 3.980 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.685 -10.436 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.924 -8.113 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.329 -8.680 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -9.013 -10.417 0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.891 -11.146 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.284 -9.493 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -8.115 -6.370 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.499 -7.465 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.087 -6.889 2.811 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.873 -11.531 4.892 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.921 -12.441 5.356 1.00 0.36 C ATOM 2442 C GLN A 161 -11.475 -12.034 6.740 1.00 0.57 C ATOM 2443 O GLN A 161 -12.539 -12.516 7.126 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.453 -13.912 5.319 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.126 -14.429 3.899 1.00 0.06 C ATOM 2446 CD GLN A 161 -10.006 -15.960 3.802 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -10.583 -16.718 4.583 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -9.242 -16.475 2.847 1.00 -0.80 N ATOM 0 H GLN A 161 -8.936 -11.934 4.893 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.753 -12.356 4.657 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.568 -14.017 5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.229 -14.541 5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -10.903 -14.092 3.213 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.190 -13.980 3.567 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -8.758 -15.859 2.193 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -9.138 -17.487 2.767 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.806 -11.139 7.486 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.341 -10.531 8.713 1.00 0.36 C ATOM 2459 C LYS A 162 -12.246 -9.330 8.407 1.00 0.57 C ATOM 2460 O LYS A 162 -13.119 -9.032 9.219 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.165 -10.159 9.636 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.506 -9.735 11.072 1.00 0.00 C ATOM 2463 CD LYS A 162 -9.229 -9.724 11.941 1.00 0.00 C ATOM 2464 CE LYS A 162 -8.396 -8.439 11.837 1.00 0.50 C ATOM 2465 NZ LYS A 162 -6.977 -8.686 12.200 1.00 -0.85 N ATOM 0 H LYS A 162 -9.868 -10.815 7.250 1.00 -0.73 H new ATOM 0 HA LYS A 162 -11.976 -11.252 9.227 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.492 -11.015 9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.611 -9.346 9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.961 -8.745 11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.239 -10.421 11.497 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -9.513 -9.874 12.983 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -8.604 -10.570 11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -8.451 -8.048 10.821 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -8.815 -7.677 12.495 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -6.439 -7.800 12.120 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -6.925 -9.036 13.178 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -6.572 -9.396 11.556 1.00 -0.85 H new ATOM 2479 N LEU A 163 -12.080 -8.651 7.263 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.946 -7.537 6.850 1.00 0.36 C ATOM 2481 C LEU A 163 -14.112 -8.013 5.974 1.00 0.57 C ATOM 2482 O LEU A 163 -15.226 -7.492 6.086 1.00 -0.57 O ATOM 2483 CB LEU A 163 -12.138 -6.490 6.057 1.00 0.00 C ATOM 2484 CG LEU A 163 -11.606 -5.317 6.903 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -10.449 -5.728 7.821 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -11.169 -4.198 5.949 1.00 0.00 C ATOM 0 H LEU A 163 -11.338 -8.860 6.595 1.00 -0.73 H new ATOM 0 HA LEU A 163 -13.346 -7.096 7.763 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -11.295 -6.987 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.767 -6.091 5.261 1.00 0.00 H new ATOM 0 HG LEU A 163 -12.404 -4.972 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -10.114 -4.863 8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -10.786 -6.507 8.505 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -9.623 -6.107 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -10.788 -3.356 6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -10.386 -4.569 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -12.022 -3.873 5.354 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.868 -8.993 5.103 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.796 -9.498 4.088 1.00 0.36 C ATOM 2500 C TYR A 164 -15.199 -10.941 4.433 1.00 0.57 C ATOM 2501 O TYR A 164 -15.513 -11.745 3.556 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.166 -9.365 2.690 1.00 0.14 C ATOM 2503 CG TYR A 164 -13.881 -7.939 2.240 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.718 -7.275 2.682 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -14.742 -7.297 1.326 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.413 -5.985 2.217 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.436 -6.014 0.839 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.261 -5.357 1.279 1.00 0.08 C ATOM 2509 OH TYR A 164 -12.930 -4.127 0.805 1.00 -0.53 O ATOM 0 H TYR A 164 -12.973 -9.481 5.085 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.710 -8.904 4.078 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -13.232 -9.927 2.675 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -14.831 -9.832 1.964 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.057 -7.762 3.383 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -15.643 -7.794 0.998 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.532 -5.475 2.576 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.094 -5.531 0.132 1.00 -0.15 H new ATOM 0 HH TYR A 164 -12.146 -4.201 0.222 1.00 -0.53 H new