USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=37 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= -0.226 K(o=-0.3,f=-5.5!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0.442 K(o=-0.3,f=-5.6) USER MOD Set 1.3: A 130 HIS :FLIP no HE2:sc= -0.52 F(o=-0.98,f=-0.3) USER MOD Set 2.1: A 84 HIS : no HE2:sc= -1.39 X(o=-1.5,f=-2) USER MOD Set 2.2: A 97 HIS : no HD1:sc= -0.149 X(o=-1.5,f=-1.4) USER MOD Set 3.1: A 80 ASN : amide:sc= 0.065 K(o=0.065,f=-3.8!) USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 52 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0673) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -122:sc= 1.03 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -79:sc= 1.87 USER MOD Single : A 17 TYR OH : rot -155:sc= 1.14 USER MOD Single : A 21 SER OG : rot 170:sc= 1.77 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 28 HIS : no HD1:sc= -0.831 K(o=-0.83,f=-2) USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00655 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 175:sc= 0 (180deg=-0.043) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.0252 X(o=0.025,f=-0.21) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -171:sc= 0 (180deg=-0.00298) USER MOD Single : A 69 HIS : no HD1:sc= -0.989 K(o=-0.99,f=-5.2!) USER MOD Single : A 72 SER OG : rot -113:sc= 0.0237 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -21:sc= 1.16 USER MOD Single : A 105 THR OG1 : rot -93:sc= 1.33 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= 1.59 K(o=1.6,f=-5!) USER MOD Single : A 116 TYR OH : rot 152:sc= 0.0489 USER MOD Single : A 119 THR OG1 : rot 83:sc= 0.338 USER MOD Single : A 125 SER OG : rot -26:sc= 0.217 USER MOD Single : A 128 MET CE :methyl 132:sc= -0.668 (180deg=-1.67) USER MOD Single : A 131 SER OG : rot -129:sc= 0.719 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) USER MOD Single : A 138 MET CE :methyl -166:sc= -0.638 (180deg=-0.96) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 31:sc= 0.265 USER MOD Single : A 142 TYR OH : rot 30:sc= -0.105 USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= -0.103 K(o=-0.1,f=-3.1) USER MOD Single : A 149 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.25) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot -134:sc= 1.25 USER MOD Single : A 154 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.0554 K(o=-0.055,f=-1.4!) USER MOD Single : A 162 LYS NZ :NH3+ -108:sc= 0 (180deg=-0.325) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.366 1.693 8.755 1.00 -0.66 N ATOM 110 CA PRO A 8 -11.767 1.357 7.479 1.00 0.36 C ATOM 111 C PRO A 8 -12.803 0.737 6.538 1.00 0.57 C ATOM 112 O PRO A 8 -13.864 0.301 6.989 1.00 -0.57 O ATOM 113 CB PRO A 8 -10.648 0.371 7.783 1.00 0.00 C ATOM 114 CG PRO A 8 -10.980 -0.231 9.141 1.00 0.00 C ATOM 115 CD PRO A 8 -11.985 0.731 9.779 1.00 0.30 C ATOM 0 HA PRO A 8 -11.383 2.244 6.976 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -10.590 -0.402 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.680 0.873 7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.405 -1.229 9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.086 -0.329 9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.858 0.190 10.143 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -11.543 1.237 10.637 1.00 0.30 H new ATOM 123 N LYS A 9 -12.425 0.628 5.253 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.180 0.028 4.151 1.00 0.36 C ATOM 125 C LYS A 9 -14.159 1.066 3.594 1.00 0.57 C ATOM 126 O LYS A 9 -15.072 1.507 4.287 1.00 -0.57 O ATOM 127 CB LYS A 9 -13.918 -1.253 4.588 1.00 0.00 C ATOM 128 CG LYS A 9 -14.123 -2.241 3.439 1.00 0.00 C ATOM 129 CD LYS A 9 -15.407 -3.063 3.617 1.00 0.00 C ATOM 130 CE LYS A 9 -16.601 -2.272 3.063 1.00 0.50 C ATOM 131 NZ LYS A 9 -17.856 -3.053 3.094 1.00 -0.85 N ATOM 0 H LYS A 9 -11.521 0.983 4.940 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.480 -0.270 3.370 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.352 -1.739 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.888 -0.983 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.167 -1.697 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.267 -2.913 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.316 -4.017 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.564 -3.288 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.730 -1.359 3.644 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -16.389 -1.970 2.037 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -18.633 -2.477 2.710 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -17.745 -3.912 2.518 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -18.075 -3.320 4.075 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.968 1.461 2.333 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.849 2.405 1.651 1.00 0.36 C ATOM 147 C TRP A 10 -16.260 1.828 1.467 1.00 0.57 C ATOM 148 O TRP A 10 -16.465 0.611 1.518 1.00 -0.57 O ATOM 149 CB TRP A 10 -14.258 2.787 0.285 1.00 0.18 C ATOM 150 CG TRP A 10 -12.769 2.934 0.239 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.900 1.920 0.026 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.951 4.133 0.410 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.610 2.397 0.060 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.584 3.760 0.251 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.220 5.494 0.685 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.545 4.691 0.331 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.176 6.438 0.752 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.845 6.038 0.556 1.00 -0.15 C ATOM 0 H TRP A 10 -13.194 1.132 1.756 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.928 3.295 2.275 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.552 2.030 -0.442 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.707 3.727 -0.034 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -12.177 0.890 -0.145 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.779 1.815 -0.043 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.239 5.814 0.846 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.519 4.373 0.220 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.401 7.475 0.955 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.052 6.771 0.579 1.00 -0.15 H new ATOM 169 N THR A 11 -17.215 2.719 1.184 1.00 -0.73 N ATOM 170 CA THR A 11 -18.623 2.384 0.979 1.00 0.36 C ATOM 171 C THR A 11 -18.930 2.056 -0.497 1.00 0.57 C ATOM 172 O THR A 11 -19.886 1.331 -0.778 1.00 -0.57 O ATOM 173 CB THR A 11 -19.463 3.573 1.496 1.00 0.28 C ATOM 174 OG1 THR A 11 -19.143 3.802 2.857 1.00 -0.68 O ATOM 175 CG2 THR A 11 -20.977 3.365 1.382 1.00 0.00 C ATOM 0 H THR A 11 -17.023 3.716 1.089 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.877 1.480 1.533 1.00 0.36 H new ATOM 0 HB THR A 11 -19.213 4.425 0.864 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.670 4.556 3.194 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -21.495 4.244 1.766 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.246 3.213 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.269 2.490 1.963 1.00 0.00 H new ATOM 183 N SER A 12 -18.127 2.565 -1.441 1.00 -0.73 N ATOM 184 CA SER A 12 -18.270 2.276 -2.864 1.00 0.36 C ATOM 185 C SER A 12 -17.412 1.060 -3.236 1.00 0.57 C ATOM 186 O SER A 12 -16.338 0.850 -2.671 1.00 -0.57 O ATOM 187 CB SER A 12 -17.852 3.516 -3.663 1.00 0.28 C ATOM 188 OG SER A 12 -17.843 3.247 -5.048 1.00 -0.68 O ATOM 0 H SER A 12 -17.353 3.195 -1.230 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.307 2.037 -3.100 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.538 4.336 -3.453 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.861 3.840 -3.346 1.00 0.28 H new ATOM 0 HG SER A 12 -16.951 3.429 -5.411 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.869 0.290 -4.237 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.092 -0.803 -4.835 1.00 0.36 C ATOM 196 C LYS A 13 -16.026 -0.310 -5.818 1.00 0.57 C ATOM 197 O LYS A 13 -15.268 -1.127 -6.351 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.007 -1.818 -5.539 1.00 0.00 C ATOM 199 CG LYS A 13 -18.672 -1.316 -6.843 1.00 0.00 C ATOM 200 CD LYS A 13 -18.601 -2.360 -7.975 1.00 0.00 C ATOM 201 CE LYS A 13 -17.437 -2.104 -8.946 1.00 0.50 C ATOM 202 NZ LYS A 13 -17.873 -1.297 -10.104 1.00 -0.85 N ATOM 0 H LYS A 13 -18.792 0.410 -4.654 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.579 -1.289 -4.005 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.424 -2.710 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.791 -2.119 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -19.715 -1.069 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.183 -0.398 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.495 -3.354 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -19.539 -2.353 -8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.631 -1.589 -8.423 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -17.034 -3.055 -9.294 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -17.066 -1.141 -10.742 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -18.625 -1.801 -10.615 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -18.235 -0.380 -9.772 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.003 0.995 -6.106 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.011 1.609 -6.966 1.00 0.36 C ATOM 218 C VAL A 14 -14.378 2.746 -6.181 1.00 0.57 C ATOM 219 O VAL A 14 -15.059 3.485 -5.469 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.605 2.022 -8.328 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.585 3.206 -8.256 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.489 2.344 -9.333 1.00 0.00 C ATOM 0 H VAL A 14 -16.687 1.656 -5.738 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.229 0.900 -7.237 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.181 1.159 -8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.956 3.432 -9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.422 2.947 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.072 4.079 -7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.931 2.633 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.881 3.164 -8.951 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.862 1.464 -9.475 1.00 0.00 H new ATOM 232 N VAL A 15 -13.066 2.875 -6.327 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.257 3.846 -5.619 1.00 0.36 C ATOM 234 C VAL A 15 -11.467 4.627 -6.659 1.00 0.57 C ATOM 235 O VAL A 15 -11.112 4.101 -7.720 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.394 3.075 -4.601 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.104 3.782 -4.195 1.00 0.00 C ATOM 238 CG2 VAL A 15 -12.214 2.813 -3.333 1.00 0.00 C ATOM 0 H VAL A 15 -12.524 2.288 -6.961 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.835 4.575 -5.051 1.00 0.36 H new ATOM 0 HB VAL A 15 -11.104 2.153 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.562 3.166 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.484 3.942 -5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.343 4.743 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.605 2.268 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.527 3.763 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.094 2.222 -3.585 1.00 0.00 H new ATOM 248 N THR A 16 -11.198 5.896 -6.365 1.00 -0.73 N ATOM 249 CA THR A 16 -10.461 6.746 -7.275 1.00 0.36 C ATOM 250 C THR A 16 -8.992 6.776 -6.844 1.00 0.57 C ATOM 251 O THR A 16 -8.706 6.885 -5.650 1.00 -0.57 O ATOM 252 CB THR A 16 -11.131 8.128 -7.348 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.178 8.814 -6.116 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.556 8.030 -7.915 1.00 0.00 C ATOM 0 H THR A 16 -11.484 6.353 -5.499 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.478 6.356 -8.293 1.00 0.36 H new ATOM 0 HB THR A 16 -10.494 8.706 -8.018 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.914 8.461 -5.573 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -13.002 9.024 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.520 7.610 -8.920 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.159 7.387 -7.274 1.00 0.00 H new ATOM 262 N TYR A 17 -8.050 6.737 -7.795 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.624 6.918 -7.511 1.00 0.36 C ATOM 264 C TYR A 17 -6.024 8.011 -8.395 1.00 0.57 C ATOM 265 O TYR A 17 -6.580 8.356 -9.441 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.847 5.589 -7.606 1.00 0.14 C ATOM 267 CG TYR A 17 -5.366 5.182 -8.990 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -6.244 4.547 -9.889 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.024 5.408 -9.367 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -5.794 4.168 -11.167 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -3.563 5.005 -10.634 1.00 -0.15 C ATOM 272 CZ TYR A 17 -4.448 4.392 -11.548 1.00 0.08 C ATOM 273 OH TYR A 17 -4.028 4.016 -12.791 1.00 -0.53 O ATOM 0 H TYR A 17 -8.256 6.579 -8.781 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.529 7.253 -6.478 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.980 5.653 -6.949 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.483 4.793 -7.218 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -7.265 4.350 -9.597 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.347 5.893 -8.679 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -6.478 3.704 -11.861 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -2.531 5.165 -10.908 1.00 -0.15 H new ATOM 0 HH TYR A 17 -3.061 3.855 -12.775 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.880 8.561 -7.974 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.079 9.521 -8.733 1.00 0.36 C ATOM 285 C ARG A 18 -2.627 9.395 -8.283 1.00 0.57 C ATOM 286 O ARG A 18 -2.361 8.905 -7.188 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.595 10.959 -8.500 1.00 0.00 C ATOM 288 CG ARG A 18 -5.309 11.562 -9.721 1.00 0.00 C ATOM 289 CD ARG A 18 -4.330 12.062 -10.797 1.00 0.33 C ATOM 290 NE ARG A 18 -5.033 12.825 -11.847 1.00 -0.84 N ATOM 291 CZ ARG A 18 -4.516 13.245 -13.015 1.00 1.20 C ATOM 292 NH1 ARG A 18 -3.270 12.927 -13.371 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -5.250 13.995 -13.837 1.00 -0.97 N ATOM 0 H ARG A 18 -4.475 8.341 -7.064 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.157 9.309 -9.799 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.281 10.957 -7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.755 11.598 -8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.969 10.812 -10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.938 12.390 -9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.569 12.691 -10.335 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -3.814 11.213 -11.245 1.00 0.33 H new ATOM 0 HE ARG A 18 -6.010 13.057 -11.668 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -2.693 12.356 -12.753 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -2.895 13.255 -14.261 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -6.204 14.250 -13.580 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -4.858 14.314 -14.723 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.699 9.873 -9.112 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.267 9.822 -8.857 1.00 0.36 C ATOM 309 C ILE A 19 0.203 11.271 -9.070 1.00 0.57 C ATOM 310 O ILE A 19 0.342 11.698 -10.215 1.00 -0.57 O ATOM 311 CB ILE A 19 0.436 8.762 -9.748 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.266 7.377 -9.807 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.881 8.584 -9.245 1.00 0.00 C ATOM 314 CD1 ILE A 19 0.248 6.484 -10.948 1.00 0.00 C ATOM 0 H ILE A 19 -1.932 10.317 -10.000 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.011 9.488 -7.851 1.00 0.36 H new ATOM 0 HB ILE A 19 0.396 9.145 -10.768 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.119 6.862 -8.858 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.339 7.526 -9.926 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.391 7.842 -9.859 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.409 9.535 -9.311 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.867 8.248 -8.208 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.283 5.532 -10.933 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.077 6.980 -11.903 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.315 6.306 -10.818 1.00 0.00 H new ATOM 326 N VAL A 20 0.279 12.063 -7.991 1.00 -0.73 N ATOM 327 CA VAL A 20 0.515 13.523 -8.048 1.00 0.36 C ATOM 328 C VAL A 20 1.971 13.860 -8.383 1.00 0.57 C ATOM 329 O VAL A 20 2.248 14.783 -9.152 1.00 -0.57 O ATOM 330 CB VAL A 20 0.155 14.222 -6.711 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.313 14.649 -6.660 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.474 13.384 -5.466 1.00 0.00 C ATOM 0 H VAL A 20 0.178 11.709 -7.040 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.136 13.890 -8.841 1.00 0.36 H new ATOM 0 HB VAL A 20 0.794 15.105 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.518 15.134 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.518 15.346 -7.472 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.951 13.772 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.194 13.940 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.087 12.450 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.542 13.165 -5.438 1.00 0.00 H new ATOM 342 N SER A 21 2.900 13.109 -7.797 1.00 -0.73 N ATOM 343 CA SER A 21 4.327 13.220 -8.020 1.00 0.36 C ATOM 344 C SER A 21 4.771 11.830 -8.455 1.00 0.57 C ATOM 345 O SER A 21 4.130 10.834 -8.111 1.00 -0.57 O ATOM 346 CB SER A 21 5.032 13.769 -6.762 1.00 0.28 C ATOM 347 OG SER A 21 6.146 12.989 -6.397 1.00 -0.68 O ATOM 0 H SER A 21 2.662 12.378 -7.127 1.00 -0.73 H new ATOM 0 HA SER A 21 4.595 13.938 -8.795 1.00 0.36 H new ATOM 0 HB2 SER A 21 5.352 14.795 -6.945 1.00 0.28 H new ATOM 0 HB3 SER A 21 4.324 13.799 -5.934 1.00 0.28 H new ATOM 0 HG SER A 21 6.652 13.450 -5.696 1.00 -0.68 H new ATOM 353 N TYR A 22 5.858 11.776 -9.221 1.00 -0.73 N ATOM 354 CA TYR A 22 6.312 10.583 -9.899 1.00 0.36 C ATOM 355 C TYR A 22 7.817 10.455 -9.695 1.00 0.57 C ATOM 356 O TYR A 22 8.542 11.453 -9.665 1.00 -0.57 O ATOM 357 CB TYR A 22 6.000 10.649 -11.391 1.00 0.14 C ATOM 358 CG TYR A 22 4.557 10.414 -11.796 1.00 -0.14 C ATOM 359 CD1 TYR A 22 4.083 9.095 -11.936 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.719 11.497 -12.124 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.802 8.855 -12.458 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.424 11.265 -12.624 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.972 9.941 -12.822 1.00 0.08 C ATOM 364 OH TYR A 22 0.752 9.703 -13.380 1.00 -0.53 O ATOM 0 H TYR A 22 6.456 12.585 -9.386 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.795 9.717 -9.485 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.301 11.630 -11.759 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.621 9.913 -11.901 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.708 8.265 -11.641 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.071 12.509 -11.991 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.450 7.841 -12.582 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.777 12.098 -12.856 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.307 10.555 -13.570 1.00 -0.53 H new ATOM 374 N THR A 23 8.244 9.202 -9.541 1.00 -0.73 N ATOM 375 CA THR A 23 9.619 8.820 -9.275 1.00 0.36 C ATOM 376 C THR A 23 10.475 9.020 -10.530 1.00 0.57 C ATOM 377 O THR A 23 9.950 9.249 -11.628 1.00 -0.57 O ATOM 378 CB THR A 23 9.646 7.383 -8.707 1.00 0.28 C ATOM 379 OG1 THR A 23 10.962 6.986 -8.377 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.065 6.348 -9.672 1.00 0.00 C ATOM 0 H THR A 23 7.615 8.401 -9.601 1.00 -0.73 H new ATOM 0 HA THR A 23 10.063 9.462 -8.515 1.00 0.36 H new ATOM 0 HB THR A 23 9.023 7.415 -7.813 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.948 6.074 -8.019 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.112 5.359 -9.216 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.027 6.598 -9.891 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.642 6.349 -10.597 1.00 0.00 H new ATOM 388 N ARG A 24 11.797 8.922 -10.352 1.00 -0.73 N ATOM 389 CA ARG A 24 12.774 9.144 -11.409 1.00 0.36 C ATOM 390 C ARG A 24 13.647 7.919 -11.678 1.00 0.57 C ATOM 391 O ARG A 24 14.161 7.798 -12.788 1.00 -0.57 O ATOM 392 CB ARG A 24 13.643 10.360 -11.040 1.00 0.00 C ATOM 393 CG ARG A 24 13.647 11.391 -12.169 1.00 0.00 C ATOM 394 CD ARG A 24 14.797 12.396 -12.004 1.00 0.33 C ATOM 395 NE ARG A 24 15.488 12.614 -13.286 1.00 -0.84 N ATOM 396 CZ ARG A 24 16.376 11.769 -13.836 1.00 1.20 C ATOM 397 NH1 ARG A 24 16.706 10.626 -13.235 1.00 -0.97 N ATOM 398 NH2 ARG A 24 16.923 12.059 -15.016 1.00 -0.97 N ATOM 0 H ARG A 24 12.218 8.682 -9.455 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.230 9.336 -12.333 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.265 10.818 -10.126 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.663 10.034 -10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.741 10.882 -13.128 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.696 11.923 -12.182 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.408 13.343 -11.630 1.00 0.33 H new ATOM 0 HD3 ARG A 24 15.505 12.027 -11.262 1.00 0.33 H new ATOM 0 HE ARG A 24 15.276 13.472 -13.795 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 16.282 10.379 -12.341 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 17.382 9.998 -13.669 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 16.667 12.920 -15.499 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 17.598 11.420 -15.436 1.00 -0.97 H new ATOM 412 N ASP A 25 13.825 7.023 -10.699 1.00 -0.73 N ATOM 413 CA ASP A 25 14.645 5.815 -10.852 1.00 0.36 C ATOM 414 C ASP A 25 14.030 4.850 -11.886 1.00 0.57 C ATOM 415 O ASP A 25 14.729 4.220 -12.691 1.00 -0.57 O ATOM 416 CB ASP A 25 14.804 5.141 -9.472 1.00 0.06 C ATOM 417 CG ASP A 25 16.278 4.896 -9.147 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.918 5.820 -8.673 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.810 3.712 -9.437 1.00 -0.65 O ATOM 0 H ASP A 25 13.403 7.116 -9.775 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.630 6.091 -11.230 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.358 5.771 -8.702 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.264 4.194 -9.461 1.00 0.06 H new ATOM 425 N LEU A 26 12.692 4.807 -11.909 1.00 -0.73 N ATOM 426 CA LEU A 26 11.873 3.952 -12.763 1.00 0.36 C ATOM 427 C LEU A 26 10.719 4.770 -13.356 1.00 0.57 C ATOM 428 O LEU A 26 10.350 5.801 -12.795 1.00 -0.57 O ATOM 429 CB LEU A 26 11.378 2.712 -11.989 1.00 0.00 C ATOM 430 CG LEU A 26 10.687 3.026 -10.643 1.00 0.00 C ATOM 431 CD1 LEU A 26 9.251 2.496 -10.591 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.496 2.433 -9.492 1.00 0.00 C ATOM 0 H LEU A 26 12.127 5.399 -11.300 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.478 3.579 -13.590 1.00 0.36 H new ATOM 0 HB2 LEU A 26 10.681 2.161 -12.620 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.227 2.054 -11.802 1.00 0.00 H new ATOM 0 HG LEU A 26 10.641 4.111 -10.547 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.807 2.741 -9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.665 2.955 -11.387 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.257 1.414 -10.723 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.003 2.658 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.567 1.352 -9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.497 2.864 -9.491 1.00 0.00 H new ATOM 444 N PRO A 27 10.179 4.376 -14.522 1.00 -0.66 N ATOM 445 CA PRO A 27 9.235 5.210 -15.247 1.00 0.36 C ATOM 446 C PRO A 27 7.820 5.165 -14.655 1.00 0.57 C ATOM 447 O PRO A 27 7.420 4.246 -13.937 1.00 -0.57 O ATOM 448 CB PRO A 27 9.285 4.722 -16.697 1.00 0.00 C ATOM 449 CG PRO A 27 9.758 3.275 -16.605 1.00 0.00 C ATOM 450 CD PRO A 27 10.562 3.209 -15.307 1.00 0.30 C ATOM 0 HA PRO A 27 9.509 6.263 -15.175 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.306 4.789 -17.171 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.970 5.325 -17.294 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.915 2.584 -16.584 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.371 3.004 -17.464 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.347 2.289 -14.764 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.632 3.215 -15.513 1.00 0.30 H new ATOM 458 N HIS A 28 7.032 6.178 -15.014 1.00 -0.73 N ATOM 459 CA HIS A 28 5.679 6.386 -14.511 1.00 0.36 C ATOM 460 C HIS A 28 4.730 5.282 -14.990 1.00 0.57 C ATOM 461 O HIS A 28 3.849 4.856 -14.245 1.00 -0.57 O ATOM 462 CB HIS A 28 5.177 7.754 -15.003 1.00 0.17 C ATOM 463 CG HIS A 28 6.138 8.920 -14.857 1.00 0.18 C ATOM 464 ND1 HIS A 28 7.306 8.975 -14.120 1.00 -0.70 N ATOM 465 CD2 HIS A 28 6.032 10.123 -15.505 1.00 0.20 C ATOM 466 CE1 HIS A 28 7.872 10.179 -14.322 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.133 10.924 -15.165 1.00 -0.70 N ATOM 0 H HIS A 28 7.326 6.893 -15.679 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.699 6.356 -13.422 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.910 7.661 -16.056 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.262 7.996 -14.463 1.00 0.17 H new ATOM 0 HD2 HIS A 28 5.230 10.409 -16.170 1.00 0.20 H new ATOM 0 HE1 HIS A 28 8.796 10.504 -13.868 1.00 0.65 H new ATOM 0 HE2 HIS A 28 7.331 11.871 -15.488 1.00 -0.70 H new ATOM 476 N ILE A 29 4.935 4.795 -16.222 1.00 -0.73 N ATOM 477 CA ILE A 29 4.177 3.686 -16.785 1.00 0.36 C ATOM 478 C ILE A 29 4.446 2.398 -16.001 1.00 0.57 C ATOM 479 O ILE A 29 3.518 1.618 -15.803 1.00 -0.57 O ATOM 480 CB ILE A 29 4.473 3.555 -18.298 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.441 2.638 -18.988 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.910 3.076 -18.595 1.00 0.00 C ATOM 483 CD1 ILE A 29 3.343 2.921 -20.493 1.00 0.00 C ATOM 0 H ILE A 29 5.641 5.169 -16.856 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.109 3.884 -16.689 1.00 0.36 H new ATOM 0 HB ILE A 29 4.386 4.559 -18.713 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.719 1.596 -18.832 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.463 2.780 -18.527 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.054 3.005 -19.673 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.624 3.787 -18.180 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.068 2.097 -18.142 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.606 2.255 -20.941 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.039 3.956 -20.650 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.314 2.754 -20.959 1.00 0.00 H new ATOM 495 N THR A 30 5.682 2.202 -15.519 1.00 -0.73 N ATOM 496 CA THR A 30 6.019 1.106 -14.624 1.00 0.36 C ATOM 497 C THR A 30 5.260 1.309 -13.318 1.00 0.57 C ATOM 498 O THR A 30 4.548 0.392 -12.935 1.00 -0.57 O ATOM 499 CB THR A 30 7.549 0.999 -14.460 1.00 0.28 C ATOM 500 OG1 THR A 30 8.078 0.382 -15.615 1.00 -0.68 O ATOM 501 CG2 THR A 30 8.037 0.194 -13.252 1.00 0.00 C ATOM 0 H THR A 30 6.472 2.806 -15.745 1.00 -0.73 H new ATOM 0 HA THR A 30 5.710 0.144 -15.033 1.00 0.36 H new ATOM 0 HB THR A 30 7.891 2.022 -14.305 1.00 0.28 H new ATOM 0 HG1 THR A 30 9.051 0.307 -15.529 1.00 -0.68 H new ATOM 0 HG21 THR A 30 9.127 0.185 -13.237 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.665 0.652 -12.335 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.667 -0.829 -13.323 1.00 0.00 H new ATOM 509 N VAL A 31 5.316 2.488 -12.675 1.00 -0.73 N ATOM 510 CA VAL A 31 4.535 2.717 -11.451 1.00 0.36 C ATOM 511 C VAL A 31 3.056 2.399 -11.681 1.00 0.57 C ATOM 512 O VAL A 31 2.498 1.646 -10.892 1.00 -0.57 O ATOM 513 CB VAL A 31 4.741 4.139 -10.883 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.719 4.513 -9.792 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.138 4.250 -10.265 1.00 0.00 C ATOM 0 H VAL A 31 5.882 3.281 -12.976 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.908 2.030 -10.691 1.00 0.36 H new ATOM 0 HB VAL A 31 4.611 4.822 -11.722 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.920 5.523 -9.436 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.712 4.468 -10.206 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.801 3.813 -8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.280 5.254 -9.865 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.239 3.521 -9.461 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.890 4.054 -11.029 1.00 0.00 H new ATOM 525 N ASP A 32 2.430 2.910 -12.747 1.00 -0.73 N ATOM 526 CA ASP A 32 1.003 2.705 -12.994 1.00 0.36 C ATOM 527 C ASP A 32 0.688 1.227 -13.286 1.00 0.57 C ATOM 528 O ASP A 32 -0.283 0.706 -12.743 1.00 -0.57 O ATOM 529 CB ASP A 32 0.543 3.645 -14.119 1.00 0.06 C ATOM 530 CG ASP A 32 -0.982 3.721 -14.281 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.636 4.263 -13.405 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.485 3.284 -15.432 1.00 -0.65 O ATOM 0 H ASP A 32 2.897 3.474 -13.457 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.440 2.954 -12.095 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.928 4.646 -13.923 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.982 3.313 -15.059 1.00 0.06 H new ATOM 538 N ARG A 33 1.530 0.505 -14.048 1.00 -0.73 N ATOM 539 CA ARG A 33 1.373 -0.946 -14.245 1.00 0.36 C ATOM 540 C ARG A 33 1.569 -1.719 -12.945 1.00 0.57 C ATOM 541 O ARG A 33 0.813 -2.653 -12.680 1.00 -0.57 O ATOM 542 CB ARG A 33 2.351 -1.471 -15.315 1.00 0.00 C ATOM 543 CG ARG A 33 1.624 -1.783 -16.632 1.00 0.00 C ATOM 544 CD ARG A 33 2.612 -1.873 -17.800 1.00 0.33 C ATOM 545 NE ARG A 33 2.029 -2.551 -18.976 1.00 -0.84 N ATOM 546 CZ ARG A 33 1.292 -1.982 -19.947 1.00 1.20 C ATOM 547 NH1 ARG A 33 0.880 -0.719 -19.854 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.971 -2.674 -21.041 1.00 -0.97 N ATOM 0 H ARG A 33 2.329 0.906 -14.539 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.351 -1.108 -14.588 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.130 -0.729 -15.494 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.846 -2.370 -14.948 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.081 -2.724 -16.537 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.885 -1.008 -16.836 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.930 -0.869 -18.082 1.00 0.33 H new ATOM 0 HD3 ARG A 33 3.504 -2.411 -17.478 1.00 0.33 H new ATOM 0 HE ARG A 33 2.203 -3.553 -19.060 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 1.122 -0.163 -19.034 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 0.322 -0.308 -20.603 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 1.284 -3.639 -21.144 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 0.412 -2.238 -21.774 1.00 -0.97 H new ATOM 562 N LEU A 34 2.578 -1.359 -12.151 1.00 -0.73 N ATOM 563 CA LEU A 34 2.867 -2.005 -10.882 1.00 0.36 C ATOM 564 C LEU A 34 1.720 -1.749 -9.903 1.00 0.57 C ATOM 565 O LEU A 34 1.265 -2.686 -9.258 1.00 -0.57 O ATOM 566 CB LEU A 34 4.222 -1.540 -10.330 1.00 0.00 C ATOM 567 CG LEU A 34 5.408 -2.426 -10.774 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.596 -2.629 -12.282 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.673 -1.864 -10.130 1.00 0.00 C ATOM 0 H LEU A 34 3.222 -0.601 -12.379 1.00 -0.73 H new ATOM 0 HA LEU A 34 2.945 -3.082 -11.031 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.404 -0.515 -10.653 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.176 -1.528 -9.241 1.00 0.00 H new ATOM 0 HG LEU A 34 5.179 -3.435 -10.432 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.461 -3.269 -12.458 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.706 -3.099 -12.700 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.755 -1.663 -12.762 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.531 -2.469 -10.424 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.823 -0.836 -10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.569 -1.885 -9.045 1.00 0.00 H new ATOM 581 N VAL A 35 1.201 -0.521 -9.825 1.00 -0.73 N ATOM 582 CA VAL A 35 0.021 -0.196 -9.034 1.00 0.36 C ATOM 583 C VAL A 35 -1.193 -0.961 -9.565 1.00 0.57 C ATOM 584 O VAL A 35 -1.899 -1.555 -8.756 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.167 1.339 -8.965 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.626 1.814 -8.863 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.615 1.873 -7.755 1.00 0.00 C ATOM 0 H VAL A 35 1.596 0.281 -10.316 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.149 -0.524 -8.002 1.00 0.36 H new ATOM 0 HB VAL A 35 0.205 1.731 -9.911 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.652 2.903 -8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.182 1.472 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.080 1.405 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.493 2.954 -7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.235 1.411 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.672 1.633 -7.870 1.00 0.00 H new ATOM 597 N SER A 36 -1.420 -1.013 -10.883 1.00 -0.73 N ATOM 598 CA SER A 36 -2.542 -1.756 -11.450 1.00 0.36 C ATOM 599 C SER A 36 -2.454 -3.245 -11.116 1.00 0.57 C ATOM 600 O SER A 36 -3.462 -3.816 -10.695 1.00 -0.57 O ATOM 601 CB SER A 36 -2.630 -1.531 -12.966 1.00 0.28 C ATOM 602 OG SER A 36 -3.434 -0.396 -13.237 1.00 -0.68 O ATOM 0 H SER A 36 -0.836 -0.545 -11.576 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.458 -1.376 -10.996 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.632 -1.388 -13.380 1.00 0.28 H new ATOM 0 HB3 SER A 36 -3.053 -2.412 -13.450 1.00 0.28 H new ATOM 0 HG SER A 36 -3.486 -0.255 -14.205 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.282 -3.888 -11.249 1.00 -0.73 N ATOM 609 CA LYS A 37 -1.153 -5.303 -10.880 1.00 0.36 C ATOM 610 C LYS A 37 -1.219 -5.494 -9.356 1.00 0.57 C ATOM 611 O LYS A 37 -1.828 -6.461 -8.911 1.00 -0.57 O ATOM 612 CB LYS A 37 0.071 -5.969 -11.536 1.00 0.00 C ATOM 613 CG LYS A 37 1.396 -5.569 -10.883 1.00 0.00 C ATOM 614 CD LYS A 37 2.660 -6.154 -11.515 1.00 0.00 C ATOM 615 CE LYS A 37 2.904 -5.707 -12.961 1.00 0.50 C ATOM 616 NZ LYS A 37 2.514 -6.744 -13.936 1.00 -0.85 N ATOM 0 H LYS A 37 -0.427 -3.459 -11.602 1.00 -0.73 H new ATOM 0 HA LYS A 37 -2.015 -5.832 -11.288 1.00 0.36 H new ATOM 0 HB2 LYS A 37 -0.041 -7.052 -11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.099 -5.703 -12.593 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.474 -4.482 -10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.366 -5.868 -9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.520 -5.871 -10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.596 -7.242 -11.489 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.341 -4.795 -13.158 1.00 0.50 H new ATOM 0 HE3 LYS A 37 3.959 -5.465 -13.092 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 2.696 -6.400 -14.900 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 3.069 -7.607 -13.766 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 1.502 -6.957 -13.830 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.654 -4.581 -8.554 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.682 -4.643 -7.092 1.00 0.36 C ATOM 632 C ALA A 38 -2.103 -4.483 -6.551 1.00 0.57 C ATOM 633 O ALA A 38 -2.529 -5.233 -5.672 1.00 -0.57 O ATOM 634 CB ALA A 38 0.199 -3.532 -6.514 1.00 0.00 C ATOM 0 H ALA A 38 -0.157 -3.766 -8.913 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.306 -5.621 -6.792 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.177 -3.580 -5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.224 -3.662 -6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.176 -2.563 -6.842 1.00 0.00 H new ATOM 640 N LEU A 39 -2.854 -3.519 -7.087 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.253 -3.337 -6.751 1.00 0.36 C ATOM 642 C LEU A 39 -5.092 -4.485 -7.308 1.00 0.57 C ATOM 643 O LEU A 39 -6.033 -4.895 -6.637 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.764 -1.979 -7.256 1.00 0.00 C ATOM 645 CG LEU A 39 -4.348 -0.790 -6.369 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.833 0.526 -6.986 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.909 -0.923 -4.941 1.00 0.00 C ATOM 0 H LEU A 39 -2.501 -2.845 -7.767 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.350 -3.345 -5.665 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.391 -1.814 -8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.852 -2.011 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.260 -0.791 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.533 1.359 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.392 0.648 -7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.919 0.509 -7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.595 -0.066 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.998 -0.958 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.532 -1.839 -4.486 1.00 0.00 H new ATOM 659 N ASN A 40 -4.737 -5.059 -8.467 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.324 -6.322 -8.914 1.00 0.36 C ATOM 661 C ASN A 40 -5.052 -7.421 -7.891 1.00 0.57 C ATOM 662 O ASN A 40 -5.951 -8.200 -7.625 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.774 -6.782 -10.276 1.00 0.06 C ATOM 664 CG ASN A 40 -5.767 -6.689 -11.427 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.783 -7.379 -11.469 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -5.451 -5.895 -12.437 1.00 -0.80 N ATOM 0 H ASN A 40 -4.047 -4.666 -9.108 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.394 -6.144 -9.018 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -3.898 -6.181 -10.520 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -4.438 -7.815 -10.187 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -6.053 -5.852 -13.259 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -4.606 -5.326 -12.393 1.00 -0.80 H new ATOM 673 N MET A 41 -3.845 -7.519 -7.322 1.00 -0.73 N ATOM 674 CA MET A 41 -3.540 -8.522 -6.308 1.00 0.36 C ATOM 675 C MET A 41 -4.359 -8.301 -5.032 1.00 0.57 C ATOM 676 O MET A 41 -4.754 -9.288 -4.433 1.00 -0.57 O ATOM 677 CB MET A 41 -2.040 -8.567 -5.991 1.00 0.00 C ATOM 678 CG MET A 41 -1.171 -9.166 -7.104 1.00 0.23 C ATOM 679 SD MET A 41 0.482 -8.426 -7.301 1.00 -0.46 S ATOM 680 CE MET A 41 1.121 -8.467 -5.603 1.00 0.23 C ATOM 0 H MET A 41 -3.061 -6.908 -7.552 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.823 -9.490 -6.723 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.695 -7.554 -5.784 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.892 -9.147 -5.080 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.051 -10.232 -6.912 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.706 -9.071 -8.049 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.156 -8.126 -5.596 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.519 -7.813 -4.972 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.072 -9.486 -5.220 1.00 0.23 H new ATOM 690 N TRP A 42 -4.680 -7.060 -4.644 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.633 -6.809 -3.556 1.00 0.36 C ATOM 692 C TRP A 42 -7.071 -7.165 -3.983 1.00 0.57 C ATOM 693 O TRP A 42 -7.801 -7.835 -3.249 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.512 -5.343 -3.095 1.00 0.18 C ATOM 695 CG TRP A 42 -4.467 -5.103 -2.042 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.178 -4.740 -2.232 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.615 -5.246 -0.598 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.532 -4.672 -1.009 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.345 -5.078 0.019 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.700 -5.526 0.250 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.137 -5.283 1.390 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.519 -5.668 1.637 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.237 -5.580 2.206 1.00 -0.15 C ATOM 0 H TRP A 42 -4.294 -6.216 -5.067 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.392 -7.454 -2.711 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.286 -4.721 -3.961 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.478 -5.016 -2.711 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.723 -4.535 -3.190 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.569 -4.358 -0.887 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.689 -5.634 -0.171 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.145 -5.213 1.811 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.374 -5.847 2.272 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.100 -5.740 3.265 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.482 -6.766 -5.192 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.810 -7.039 -5.738 1.00 0.36 C ATOM 716 C GLY A 43 -9.010 -8.498 -6.178 1.00 0.57 C ATOM 717 O GLY A 43 -10.123 -8.906 -6.507 1.00 -0.57 O ATOM 0 H GLY A 43 -6.887 -6.235 -5.828 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.560 -6.789 -4.987 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.983 -6.384 -6.592 1.00 0.36 H new ATOM 721 N LYS A 44 -7.948 -9.312 -6.183 1.00 -0.73 N ATOM 722 CA LYS A 44 -8.031 -10.738 -6.479 1.00 0.36 C ATOM 723 C LYS A 44 -8.823 -11.476 -5.403 1.00 0.57 C ATOM 724 O LYS A 44 -9.403 -12.521 -5.701 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.626 -11.349 -6.640 1.00 0.00 C ATOM 726 CG LYS A 44 -6.224 -11.485 -8.116 1.00 0.00 C ATOM 727 CD LYS A 44 -4.887 -12.225 -8.253 1.00 0.00 C ATOM 728 CE LYS A 44 -4.461 -12.335 -9.724 1.00 0.50 C ATOM 729 NZ LYS A 44 -3.639 -11.176 -10.136 1.00 -0.85 N ATOM 0 H LYS A 44 -7.001 -8.992 -5.979 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.561 -10.853 -7.425 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.898 -10.725 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.601 -12.330 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.000 -12.024 -8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.145 -10.496 -8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.118 -11.699 -7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.974 -13.222 -7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.896 -13.255 -9.873 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -5.346 -12.399 -10.357 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -3.367 -11.280 -11.134 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -4.188 -10.301 -10.016 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -2.783 -11.131 -9.547 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.888 -10.932 -4.182 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.667 -11.520 -3.107 1.00 0.36 C ATOM 745 C GLU A 45 -11.027 -10.823 -2.976 1.00 0.57 C ATOM 746 O GLU A 45 -12.039 -11.512 -2.820 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.884 -11.457 -1.790 1.00 0.00 C ATOM 748 CG GLU A 45 -7.652 -12.379 -1.728 1.00 0.06 C ATOM 749 CD GLU A 45 -6.420 -11.802 -2.429 1.00 0.66 C ATOM 750 OE1 GLU A 45 -5.886 -10.854 -1.878 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -6.006 -12.407 -3.539 1.00 -0.65 O ATOM 0 H GLU A 45 -8.401 -10.075 -3.921 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.854 -12.567 -3.344 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.560 -10.429 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.556 -11.715 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.407 -12.575 -0.684 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -7.903 -13.338 -2.182 1.00 0.06 H new ATOM 759 N ILE A 46 -11.078 -9.489 -3.092 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.278 -8.688 -2.830 1.00 0.36 C ATOM 761 C ILE A 46 -12.726 -7.970 -4.108 1.00 0.57 C ATOM 762 O ILE A 46 -11.878 -7.429 -4.809 1.00 -0.57 O ATOM 763 CB ILE A 46 -12.027 -7.683 -1.680 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.737 -6.846 -1.858 1.00 0.00 C ATOM 765 CG2 ILE A 46 -12.016 -8.470 -0.364 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.660 -5.609 -0.961 1.00 0.00 C ATOM 0 H ILE A 46 -10.274 -8.929 -3.375 1.00 -0.73 H new ATOM 0 HA ILE A 46 -13.081 -9.355 -2.516 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.830 -6.946 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.875 -7.481 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.663 -6.531 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.841 -7.787 0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.977 -8.967 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.223 -9.217 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.725 -5.081 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.500 -4.949 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.699 -5.915 0.085 1.00 0.00 H new ATOM 778 N PRO A 47 -14.037 -7.888 -4.414 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.552 -7.324 -5.670 1.00 0.36 C ATOM 780 C PRO A 47 -14.468 -5.780 -5.752 1.00 0.57 C ATOM 781 O PRO A 47 -15.345 -5.120 -6.321 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.969 -7.902 -5.798 1.00 0.00 C ATOM 783 CG PRO A 47 -16.417 -8.152 -4.358 1.00 0.00 C ATOM 784 CD PRO A 47 -15.118 -8.453 -3.617 1.00 0.30 C ATOM 0 HA PRO A 47 -13.936 -7.606 -6.524 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.637 -7.205 -6.305 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.970 -8.824 -6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.923 -7.282 -3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -17.115 -8.987 -4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -15.132 -8.015 -2.619 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.985 -9.528 -3.492 1.00 0.30 H new ATOM 792 N LEU A 48 -13.415 -5.193 -5.178 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.145 -3.765 -5.161 1.00 0.36 C ATOM 794 C LEU A 48 -12.291 -3.444 -6.390 1.00 0.57 C ATOM 795 O LEU A 48 -11.296 -4.121 -6.649 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.417 -3.420 -3.848 1.00 0.00 C ATOM 797 CG LEU A 48 -12.638 -1.975 -3.356 1.00 0.00 C ATOM 798 CD1 LEU A 48 -11.888 -1.775 -2.042 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.175 -0.899 -4.337 1.00 0.00 C ATOM 0 H LEU A 48 -12.698 -5.731 -4.692 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.058 -3.172 -5.202 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.748 -4.110 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.348 -3.584 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.716 -1.858 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.040 -0.755 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.264 -2.477 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.824 -1.950 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.367 0.087 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.107 -1.012 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.720 -1.003 -5.275 1.00 0.00 H new ATOM 811 N HIS A 49 -12.679 -2.404 -7.131 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.000 -1.971 -8.345 1.00 0.36 C ATOM 813 C HIS A 49 -11.593 -0.499 -8.204 1.00 0.57 C ATOM 814 O HIS A 49 -12.074 0.206 -7.315 1.00 -0.57 O ATOM 815 CB HIS A 49 -12.931 -2.181 -9.546 1.00 0.17 C ATOM 816 CG HIS A 49 -13.416 -3.600 -9.755 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.413 -4.261 -9.061 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -13.007 -4.442 -10.757 1.00 0.20 C ATOM 819 CE1 HIS A 49 -14.605 -5.450 -9.658 1.00 0.65 C ATOM 820 NE2 HIS A 49 -13.788 -5.602 -10.716 1.00 -0.70 N ATOM 0 H HIS A 49 -13.490 -1.831 -6.896 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.096 -2.559 -8.504 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -13.799 -1.533 -9.428 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -12.411 -1.857 -10.448 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -14.912 -3.910 -8.244 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -12.213 -4.243 -11.461 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.322 -6.188 -9.331 1.00 0.65 H new ATOM 829 N PHE A 50 -10.718 -0.005 -9.082 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.106 1.308 -8.913 1.00 0.36 C ATOM 831 C PHE A 50 -9.985 1.960 -10.283 1.00 0.57 C ATOM 832 O PHE A 50 -9.747 1.268 -11.272 1.00 -0.57 O ATOM 833 CB PHE A 50 -8.734 1.209 -8.211 1.00 0.14 C ATOM 834 CG PHE A 50 -8.607 0.109 -7.166 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.433 -1.227 -7.584 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.677 0.398 -5.789 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.400 -2.271 -6.643 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.605 -0.643 -4.847 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.486 -1.980 -5.272 1.00 -0.15 C ATOM 0 H PHE A 50 -10.418 -0.501 -9.921 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.735 1.923 -8.269 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -7.968 1.054 -8.971 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.521 2.165 -7.734 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -8.324 -1.450 -8.635 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.786 1.420 -5.457 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.309 -3.295 -6.974 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.641 -0.416 -3.792 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.461 -2.779 -4.546 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.152 3.284 -10.347 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.133 4.048 -11.593 1.00 0.36 C ATOM 851 C ARG A 51 -9.453 5.393 -11.341 1.00 0.57 C ATOM 852 O ARG A 51 -9.265 5.798 -10.194 1.00 -0.57 O ATOM 853 CB ARG A 51 -11.579 4.207 -12.121 1.00 0.00 C ATOM 854 CG ARG A 51 -11.939 3.162 -13.198 1.00 0.00 C ATOM 855 CD ARG A 51 -13.442 2.844 -13.205 1.00 0.33 C ATOM 856 NE ARG A 51 -13.865 2.099 -14.412 1.00 -0.84 N ATOM 857 CZ ARG A 51 -14.969 1.338 -14.527 1.00 1.20 C ATOM 858 NH1 ARG A 51 -15.728 1.102 -13.459 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -15.331 0.812 -15.699 1.00 -0.97 N ATOM 0 H ARG A 51 -10.306 3.862 -9.521 1.00 -0.73 H new ATOM 0 HA ARG A 51 -9.563 3.525 -12.361 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.277 4.120 -11.288 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.702 5.207 -12.536 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.642 3.534 -14.179 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.375 2.247 -13.019 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.689 2.261 -12.318 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.006 3.775 -13.142 1.00 0.33 H new ATOM 0 HE ARG A 51 -13.264 2.169 -15.233 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -15.473 1.498 -12.554 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -16.565 0.525 -13.545 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -14.767 0.984 -16.531 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -16.172 0.238 -15.763 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.081 6.085 -12.417 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.353 7.343 -12.341 1.00 0.36 C ATOM 875 C LYS A 52 -9.308 8.461 -12.730 1.00 0.57 C ATOM 876 O LYS A 52 -10.107 8.293 -13.654 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.130 7.281 -13.269 1.00 0.00 C ATOM 878 CG LYS A 52 -5.986 8.139 -12.720 1.00 0.00 C ATOM 879 CD LYS A 52 -4.758 8.054 -13.629 1.00 0.00 C ATOM 880 CE LYS A 52 -3.531 8.597 -12.890 1.00 0.50 C ATOM 881 NZ LYS A 52 -2.367 7.699 -13.044 1.00 -0.85 N ATOM 0 H LYS A 52 -9.279 5.783 -13.371 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.986 7.531 -11.332 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -6.798 6.248 -13.372 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.406 7.628 -14.265 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.311 9.176 -12.636 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.725 7.805 -11.716 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.586 7.020 -13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.928 8.626 -14.541 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.282 9.587 -13.273 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -3.764 8.714 -11.832 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -1.504 8.195 -12.743 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -2.502 6.852 -12.456 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -2.275 7.418 -14.041 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.229 9.594 -12.034 1.00 -0.73 N ATOM 896 CA VAL A 53 -10.079 10.745 -12.322 1.00 0.36 C ATOM 897 C VAL A 53 -9.396 11.662 -13.335 1.00 0.57 C ATOM 898 O VAL A 53 -8.168 11.659 -13.480 1.00 -0.57 O ATOM 899 CB VAL A 53 -10.446 11.506 -11.033 1.00 0.00 C ATOM 900 CG1 VAL A 53 -11.150 10.573 -10.043 1.00 0.00 C ATOM 901 CG2 VAL A 53 -9.236 12.167 -10.361 1.00 0.00 C ATOM 0 H VAL A 53 -8.579 9.738 -11.261 1.00 -0.73 H new ATOM 0 HA VAL A 53 -11.011 10.385 -12.758 1.00 0.36 H new ATOM 0 HB VAL A 53 -11.123 12.308 -11.329 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.402 11.126 -9.138 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.061 10.183 -10.496 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.488 9.745 -9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.560 12.687 -9.459 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.504 11.403 -10.097 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.783 12.881 -11.049 1.00 0.00 H new ATOM 911 N VAL A 54 -10.208 12.513 -13.961 1.00 -0.73 N ATOM 912 CA VAL A 54 -9.768 13.523 -14.920 1.00 0.36 C ATOM 913 C VAL A 54 -9.982 14.944 -14.382 1.00 0.57 C ATOM 914 O VAL A 54 -9.407 15.883 -14.924 1.00 -0.57 O ATOM 915 CB VAL A 54 -10.483 13.312 -16.272 1.00 0.00 C ATOM 916 CG1 VAL A 54 -10.050 11.986 -16.919 1.00 0.00 C ATOM 917 CG2 VAL A 54 -12.018 13.347 -16.151 1.00 0.00 C ATOM 0 H VAL A 54 -11.217 12.518 -13.810 1.00 -0.73 H new ATOM 0 HA VAL A 54 -8.696 13.407 -15.076 1.00 0.36 H new ATOM 0 HB VAL A 54 -10.184 14.147 -16.906 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.567 11.859 -17.870 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.974 11.999 -17.090 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.302 11.158 -16.256 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.464 13.193 -17.134 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.348 12.558 -15.475 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -12.330 14.315 -15.759 1.00 0.00 H new ATOM 927 N TRP A 55 -10.783 15.098 -13.315 1.00 -0.73 N ATOM 928 CA TRP A 55 -11.018 16.378 -12.653 1.00 0.36 C ATOM 929 C TRP A 55 -9.774 16.795 -11.866 1.00 0.57 C ATOM 930 O TRP A 55 -9.205 17.842 -12.147 1.00 -0.57 O ATOM 931 CB TRP A 55 -12.265 16.290 -11.750 1.00 0.18 C ATOM 932 CG TRP A 55 -13.298 17.334 -12.031 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -13.296 18.592 -11.540 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -14.463 17.251 -12.910 1.00 0.00 C ATOM 935 NE1 TRP A 55 -14.380 19.288 -12.036 1.00 0.03 N ATOM 936 CE2 TRP A 55 -15.124 18.515 -12.905 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -15.012 16.239 -13.728 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -16.265 18.766 -13.685 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -16.154 16.481 -14.517 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -16.773 17.744 -14.503 1.00 -0.15 C ATOM 0 H TRP A 55 -11.289 14.323 -12.887 1.00 -0.73 H new ATOM 0 HA TRP A 55 -11.210 17.145 -13.403 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -12.717 15.305 -11.869 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -11.953 16.374 -10.709 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -12.558 18.993 -10.862 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -14.603 20.253 -11.791 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -14.549 15.264 -13.749 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -16.745 19.733 -13.656 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -16.556 15.693 -15.136 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -17.639 17.928 -15.121 1.00 -0.15 H new ATOM 951 N GLY A 56 -9.339 15.967 -10.911 1.00 -0.73 N ATOM 952 CA GLY A 56 -8.169 16.220 -10.079 1.00 0.36 C ATOM 953 C GLY A 56 -8.448 15.781 -8.645 1.00 0.57 C ATOM 954 O GLY A 56 -9.583 15.909 -8.184 1.00 -0.57 O ATOM 0 H GLY A 56 -9.803 15.085 -10.694 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -7.308 15.680 -10.473 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -7.918 17.280 -10.102 1.00 0.36 H new ATOM 958 N THR A 57 -7.399 15.295 -7.965 1.00 -0.73 N ATOM 959 CA THR A 57 -7.415 14.673 -6.632 1.00 0.36 C ATOM 960 C THR A 57 -8.309 13.421 -6.571 1.00 0.57 C ATOM 961 O THR A 57 -9.353 13.339 -7.210 1.00 -0.57 O ATOM 962 CB THR A 57 -7.753 15.733 -5.565 1.00 0.28 C ATOM 963 OG1 THR A 57 -6.737 16.721 -5.566 1.00 -0.68 O ATOM 964 CG2 THR A 57 -7.854 15.172 -4.141 1.00 0.00 C ATOM 0 H THR A 57 -6.457 15.328 -8.356 1.00 -0.73 H new ATOM 0 HA THR A 57 -6.416 14.297 -6.411 1.00 0.36 H new ATOM 0 HB THR A 57 -8.732 16.134 -5.830 1.00 0.28 H new ATOM 0 HG1 THR A 57 -6.942 17.402 -4.892 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -8.094 15.979 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.638 14.415 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.902 14.723 -3.858 1.00 0.00 H new ATOM 972 N ALA A 58 -7.899 12.413 -5.796 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.591 11.137 -5.732 1.00 0.36 C ATOM 974 C ALA A 58 -8.556 10.591 -4.305 1.00 0.57 C ATOM 975 O ALA A 58 -7.845 11.121 -3.439 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.928 10.182 -6.725 1.00 0.00 C ATOM 0 H ALA A 58 -7.075 12.466 -5.197 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.641 11.254 -6.002 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.433 9.216 -6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.999 10.596 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.879 10.052 -6.460 1.00 0.00 H new ATOM 982 N ASP A 59 -9.324 9.526 -4.062 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.371 8.849 -2.771 1.00 0.36 C ATOM 984 C ASP A 59 -7.950 8.368 -2.431 1.00 0.57 C ATOM 985 O ASP A 59 -7.431 8.739 -1.381 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.399 7.699 -2.762 1.00 0.06 C ATOM 987 CG ASP A 59 -11.827 8.083 -3.197 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.197 7.607 -4.258 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.546 8.918 -2.453 1.00 -0.65 O ATOM 0 H ASP A 59 -9.935 9.109 -4.764 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.709 9.543 -2.002 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.038 6.907 -3.419 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.444 7.283 -1.756 1.00 0.06 H new ATOM 995 N ILE A 60 -7.272 7.696 -3.374 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.906 7.184 -3.237 1.00 0.36 C ATOM 997 C ILE A 60 -4.957 8.130 -3.991 1.00 0.57 C ATOM 998 O ILE A 60 -4.677 7.938 -5.178 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.790 5.720 -3.749 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.001 4.814 -3.467 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.510 5.060 -3.211 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.271 4.543 -1.993 1.00 0.00 C ATOM 0 H ILE A 60 -7.678 7.488 -4.286 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.628 7.157 -2.183 1.00 0.36 H new ATOM 0 HB ILE A 60 -5.753 5.817 -4.834 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.888 5.271 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.849 3.861 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.446 4.036 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.640 5.623 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.535 5.052 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.143 3.896 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.404 4.054 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.459 5.485 -1.478 1.00 0.00 H new ATOM 1014 N MET A 61 -4.476 9.186 -3.331 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.412 10.021 -3.880 1.00 0.36 C ATOM 1016 C MET A 61 -2.074 9.367 -3.538 1.00 0.57 C ATOM 1017 O MET A 61 -1.677 9.350 -2.374 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.493 11.434 -3.288 1.00 0.00 C ATOM 1019 CG MET A 61 -2.409 12.382 -3.800 1.00 0.23 C ATOM 1020 SD MET A 61 -2.327 13.984 -2.944 1.00 -0.46 S ATOM 1021 CE MET A 61 -3.809 14.789 -3.606 1.00 0.23 C ATOM 0 H MET A 61 -4.809 9.481 -2.413 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.515 10.108 -4.962 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.471 11.858 -3.517 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.421 11.367 -2.202 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.442 11.888 -3.709 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.576 12.562 -4.862 1.00 0.23 H new ATOM 0 HE1 MET A 61 -3.819 15.837 -3.305 1.00 0.23 H new ATOM 0 HE2 MET A 61 -3.803 14.724 -4.694 1.00 0.23 H new ATOM 0 HE3 MET A 61 -4.698 14.292 -3.217 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.364 8.863 -4.546 1.00 -0.73 N ATOM 1032 CA ILE A 62 0.009 8.393 -4.409 1.00 0.36 C ATOM 1033 C ILE A 62 0.912 9.578 -4.782 1.00 0.57 C ATOM 1034 O ILE A 62 0.686 10.224 -5.805 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.206 7.151 -5.311 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.723 5.983 -4.884 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.660 6.665 -5.289 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.888 5.775 -5.858 1.00 0.00 C ATOM 0 H ILE A 62 -1.733 8.769 -5.492 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.258 8.072 -3.397 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.052 7.461 -6.324 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.140 5.064 -4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.118 6.182 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.762 5.792 -5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.315 7.459 -5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.939 6.398 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.507 4.947 -5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.490 6.683 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.497 5.548 -6.850 1.00 0.00 H new ATOM 1050 N GLY A 63 1.930 9.891 -3.975 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.843 10.991 -4.280 1.00 0.36 C ATOM 1052 C GLY A 63 4.186 10.821 -3.602 1.00 0.57 C ATOM 1053 O GLY A 63 4.260 10.179 -2.563 1.00 -0.57 O ATOM 0 H GLY A 63 2.141 9.398 -3.107 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.987 11.053 -5.359 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.394 11.933 -3.963 1.00 0.36 H new ATOM 1057 N PHE A 64 5.251 11.403 -4.152 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.602 11.152 -3.662 1.00 0.36 C ATOM 1059 C PHE A 64 7.336 12.468 -3.405 1.00 0.57 C ATOM 1060 O PHE A 64 7.046 13.489 -4.040 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.371 10.249 -4.641 1.00 0.14 C ATOM 1062 CG PHE A 64 6.575 9.134 -5.308 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.774 8.260 -4.558 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 6.628 8.975 -6.701 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 5.025 7.250 -5.186 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 5.879 7.968 -7.339 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.058 7.119 -6.581 1.00 -0.15 C ATOM 0 H PHE A 64 5.202 12.052 -4.938 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.538 10.625 -2.710 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.797 10.878 -5.422 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.206 9.798 -4.105 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.732 8.365 -3.484 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 7.250 9.632 -7.290 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.424 6.575 -4.594 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 5.936 7.849 -8.411 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.455 6.369 -7.070 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.295 12.428 -2.481 1.00 -0.73 N ATOM 1078 CA ALA A 65 9.068 13.578 -2.026 1.00 0.36 C ATOM 1079 C ALA A 65 10.543 13.198 -1.903 1.00 0.57 C ATOM 1080 O ALA A 65 10.890 12.051 -2.141 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.494 14.031 -0.684 1.00 0.00 C ATOM 0 H ALA A 65 8.563 11.562 -2.013 1.00 -0.73 H new ATOM 0 HA ALA A 65 9.002 14.398 -2.741 1.00 0.36 H new ATOM 0 HB1 ALA A 65 9.055 14.892 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.447 14.307 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.570 13.217 0.037 1.00 0.00 H new ATOM 1087 N ARG A 66 11.413 14.140 -1.533 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.844 13.898 -1.327 1.00 0.36 C ATOM 1089 C ARG A 66 13.233 14.529 0.004 1.00 0.57 C ATOM 1090 O ARG A 66 13.905 15.561 0.035 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.673 14.441 -2.505 1.00 0.00 C ATOM 1092 CG ARG A 66 13.667 13.509 -3.718 1.00 0.00 C ATOM 1093 CD ARG A 66 14.481 14.106 -4.870 1.00 0.33 C ATOM 1094 NE ARG A 66 13.595 14.692 -5.885 1.00 -0.84 N ATOM 1095 CZ ARG A 66 13.163 15.961 -5.949 1.00 1.20 C ATOM 1096 NH1 ARG A 66 13.592 16.871 -5.069 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 12.300 16.330 -6.894 1.00 -0.97 N ATOM 0 H ARG A 66 11.139 15.108 -1.365 1.00 -0.73 H new ATOM 0 HA ARG A 66 13.053 12.829 -1.290 1.00 0.36 H new ATOM 0 HB2 ARG A 66 13.282 15.415 -2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.701 14.596 -2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.081 12.540 -3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.641 13.336 -4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.157 14.870 -4.486 1.00 0.33 H new ATOM 0 HD3 ARG A 66 15.100 13.332 -5.324 1.00 0.33 H new ATOM 0 HE ARG A 66 13.273 14.065 -6.622 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 14.254 16.603 -4.340 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 13.258 17.833 -5.126 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 11.965 15.647 -7.573 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 11.975 17.296 -6.939 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.707 13.971 1.095 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.938 14.456 2.450 1.00 0.36 C ATOM 1113 C GLY A 67 11.672 14.997 3.107 1.00 0.57 C ATOM 1114 O GLY A 67 11.439 14.713 4.276 1.00 -0.57 O ATOM 0 H GLY A 67 12.097 13.154 1.057 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.340 13.645 3.058 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.694 15.241 2.426 1.00 0.36 H new ATOM 1118 N ALA A 68 10.825 15.740 2.383 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.536 16.210 2.878 1.00 0.36 C ATOM 1120 C ALA A 68 8.689 16.778 1.741 1.00 0.57 C ATOM 1121 O ALA A 68 9.191 17.107 0.667 1.00 -0.57 O ATOM 1122 CB ALA A 68 9.728 17.298 3.948 1.00 0.00 C ATOM 0 H ALA A 68 11.023 16.032 1.426 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.023 15.354 3.317 1.00 0.36 H new ATOM 0 HB1 ALA A 68 8.754 17.635 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.298 16.891 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.268 18.141 3.517 1.00 0.00 H new ATOM 1128 N HIS A 69 7.401 16.933 2.038 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.351 17.463 1.180 1.00 0.36 C ATOM 1130 C HIS A 69 5.581 18.485 2.022 1.00 0.57 C ATOM 1131 O HIS A 69 6.127 19.534 2.368 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.491 16.304 0.611 1.00 0.17 C ATOM 1133 CG HIS A 69 5.330 15.102 1.522 1.00 0.18 C ATOM 1134 ND1 HIS A 69 5.166 15.099 2.895 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 5.454 13.792 1.143 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.233 13.829 3.316 1.00 0.65 C ATOM 1137 NE2 HIS A 69 5.392 12.994 2.284 1.00 -0.70 N ATOM 0 H HIS A 69 7.040 16.671 2.955 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.736 17.971 0.296 1.00 0.36 H new ATOM 0 HB2 HIS A 69 4.501 16.693 0.373 1.00 0.17 H new ATOM 0 HB3 HIS A 69 5.936 15.971 -0.326 1.00 0.17 H new ATOM 0 HD2 HIS A 69 5.579 13.437 0.131 1.00 0.20 H new ATOM 0 HE1 HIS A 69 5.167 13.521 4.349 1.00 0.65 H new ATOM 0 HE2 HIS A 69 5.455 11.977 2.324 1.00 -0.70 H new ATOM 1146 N GLY A 70 4.341 18.176 2.403 1.00 -0.73 N ATOM 1147 CA GLY A 70 3.464 19.111 3.075 1.00 0.36 C ATOM 1148 C GLY A 70 2.080 18.500 3.165 1.00 0.57 C ATOM 1149 O GLY A 70 1.196 18.907 2.416 1.00 -0.57 O ATOM 0 H GLY A 70 3.922 17.259 2.248 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.844 19.336 4.072 1.00 0.36 H new ATOM 0 HA3 GLY A 70 3.426 20.053 2.529 1.00 0.36 H new ATOM 1153 N ASP A 71 1.934 17.480 4.021 1.00 -0.73 N ATOM 1154 CA ASP A 71 0.649 16.905 4.421 1.00 0.36 C ATOM 1155 C ASP A 71 0.403 17.208 5.906 1.00 0.57 C ATOM 1156 O ASP A 71 -0.588 17.855 6.241 1.00 -0.57 O ATOM 1157 CB ASP A 71 0.617 15.387 4.124 1.00 0.06 C ATOM 1158 CG ASP A 71 1.609 14.581 4.967 1.00 0.66 C ATOM 1159 OD1 ASP A 71 1.250 14.065 6.012 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.873 14.585 4.552 1.00 -0.65 O ATOM 0 H ASP A 71 2.730 17.022 4.465 1.00 -0.73 H new ATOM 0 HA ASP A 71 -0.156 17.357 3.841 1.00 0.36 H new ATOM 0 HB2 ASP A 71 -0.390 15.011 4.303 1.00 0.06 H new ATOM 0 HB3 ASP A 71 0.834 15.226 3.068 1.00 0.06 H new ATOM 1166 N SER A 72 1.337 16.795 6.774 1.00 -0.73 N ATOM 1167 CA SER A 72 1.228 16.770 8.229 1.00 0.36 C ATOM 1168 C SER A 72 2.511 16.161 8.816 1.00 0.57 C ATOM 1169 O SER A 72 3.031 16.681 9.801 1.00 -0.57 O ATOM 1170 CB SER A 72 0.008 15.934 8.663 1.00 0.28 C ATOM 1171 OG SER A 72 -0.250 16.116 10.041 1.00 -0.68 O ATOM 0 H SER A 72 2.242 16.450 6.454 1.00 -0.73 H new ATOM 0 HA SER A 72 1.098 17.788 8.597 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.866 16.226 8.081 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.190 14.879 8.457 1.00 0.28 H new ATOM 0 HG SER A 72 -0.072 15.280 10.520 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.071 15.114 8.184 1.00 -0.73 N ATOM 1178 CA TYR A 73 4.261 14.435 8.695 1.00 0.36 C ATOM 1179 C TYR A 73 5.378 14.509 7.651 1.00 0.57 C ATOM 1180 O TYR A 73 5.346 13.747 6.685 1.00 -0.57 O ATOM 1181 CB TYR A 73 3.934 12.981 9.073 1.00 0.14 C ATOM 1182 CG TYR A 73 2.909 12.856 10.187 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.314 12.853 11.536 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.541 12.770 9.865 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.355 12.776 12.564 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.576 12.713 10.886 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.977 12.724 12.242 1.00 0.08 C ATOM 1188 OH TYR A 73 0.024 12.692 13.220 1.00 -0.53 O ATOM 0 H TYR A 73 2.711 14.723 7.314 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.603 14.935 9.601 1.00 0.36 H new ATOM 0 HB2 TYR A 73 3.564 12.460 8.190 1.00 0.14 H new ATOM 0 HB3 TYR A 73 4.852 12.479 9.378 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.364 12.910 11.783 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.232 12.748 8.830 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 2.670 12.757 13.597 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.473 12.661 10.634 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.865 12.659 12.809 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.379 15.396 7.800 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.535 15.370 6.917 1.00 0.36 C ATOM 1200 C PRO A 74 8.306 14.057 7.120 1.00 0.57 C ATOM 1201 O PRO A 74 8.374 13.535 8.240 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.349 16.623 7.251 1.00 0.00 C ATOM 1203 CG PRO A 74 7.911 17.033 8.658 1.00 0.00 C ATOM 1204 CD PRO A 74 6.546 16.372 8.868 1.00 0.30 C ATOM 0 HA PRO A 74 7.271 15.390 5.860 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.419 16.416 7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.156 17.419 6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.629 16.698 9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.840 18.117 8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.497 15.889 9.844 1.00 0.30 H new ATOM 0 HD3 PRO A 74 5.749 17.115 8.840 1.00 0.30 H new ATOM 1212 N PHE A 75 8.863 13.530 6.024 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.808 12.420 6.034 1.00 0.36 C ATOM 1214 C PHE A 75 11.161 12.858 6.635 1.00 0.57 C ATOM 1215 O PHE A 75 11.287 13.906 7.273 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.947 11.852 4.599 1.00 0.14 C ATOM 1217 CG PHE A 75 8.818 10.972 4.125 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.449 9.834 4.869 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.189 11.237 2.893 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.401 9.015 4.425 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.150 10.412 2.447 1.00 -0.15 C ATOM 1222 CZ PHE A 75 6.727 9.332 3.237 1.00 -0.15 C ATOM 0 H PHE A 75 8.661 13.875 5.086 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.434 11.621 6.674 1.00 0.36 H new ATOM 0 HB2 PHE A 75 10.045 12.688 3.906 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.874 11.281 4.543 1.00 0.14 H new ATOM 0 HD1 PHE A 75 8.973 9.592 5.782 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.508 12.076 2.293 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.114 8.144 4.995 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.675 10.606 1.497 1.00 -0.15 H new ATOM 0 HZ PHE A 75 5.877 8.741 2.928 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.153 11.987 6.454 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.516 12.019 6.961 1.00 0.36 C ATOM 1234 C ASP A 76 14.529 12.073 5.801 1.00 0.57 C ATOM 1235 O ASP A 76 15.594 12.675 5.974 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.734 10.684 7.714 1.00 0.06 C ATOM 1237 CG ASP A 76 13.424 9.467 6.823 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.280 9.330 6.421 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 14.392 8.635 6.449 1.00 -0.65 O ATOM 0 H ASP A 76 12.000 11.153 5.887 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.659 12.894 7.595 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.766 10.627 8.061 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.098 10.658 8.599 1.00 0.06 H new ATOM 1245 N GLY A 77 14.243 11.475 4.631 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.197 11.353 3.531 1.00 0.36 C ATOM 1247 C GLY A 77 15.652 9.896 3.327 1.00 0.57 C ATOM 1248 O GLY A 77 14.890 8.977 3.614 1.00 -0.57 O ATOM 0 H GLY A 77 13.333 11.061 4.427 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.742 11.724 2.612 1.00 0.36 H new ATOM 0 HA3 GLY A 77 16.066 11.980 3.732 1.00 0.36 H new ATOM 1252 N PRO A 78 16.869 9.650 2.801 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.351 8.334 2.364 1.00 0.36 C ATOM 1254 C PRO A 78 17.696 7.353 3.515 1.00 0.57 C ATOM 1255 O PRO A 78 18.847 6.921 3.655 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.511 8.632 1.402 1.00 0.00 C ATOM 1257 CG PRO A 78 19.041 9.994 1.846 1.00 0.00 C ATOM 1258 CD PRO A 78 17.826 10.689 2.453 1.00 0.30 C ATOM 0 HA PRO A 78 16.561 7.777 1.861 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.284 7.866 1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.171 8.658 0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.845 9.890 2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.443 10.558 1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.111 11.262 3.336 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.390 11.392 1.744 1.00 0.30 H new ATOM 1266 N GLY A 79 16.698 6.995 4.338 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.831 6.138 5.518 1.00 0.36 C ATOM 1268 C GLY A 79 15.482 5.873 6.209 1.00 0.57 C ATOM 1269 O GLY A 79 14.440 5.979 5.572 1.00 -0.57 O ATOM 0 H GLY A 79 15.739 7.309 4.190 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.278 5.188 5.225 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.513 6.606 6.228 1.00 0.36 H new ATOM 1273 N ASN A 80 15.524 5.516 7.506 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.398 5.378 8.457 1.00 0.36 C ATOM 1275 C ASN A 80 13.063 4.930 7.803 1.00 0.57 C ATOM 1276 O ASN A 80 13.053 3.912 7.114 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.321 6.651 9.342 1.00 0.06 C ATOM 1278 CG ASN A 80 13.745 6.375 10.737 1.00 0.57 C ATOM 1279 OD1 ASN A 80 12.600 5.964 10.870 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 14.513 6.577 11.805 1.00 -0.80 N ATOM 0 H ASN A 80 16.414 5.299 7.954 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.598 4.537 9.121 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.319 7.077 9.444 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.705 7.398 8.842 1.00 0.06 H new ATOM 0 HD21 ASN A 80 14.148 6.389 12.739 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 15.467 6.920 11.690 1.00 -0.80 H new ATOM 1287 N THR A 81 11.942 5.614 8.067 1.00 -0.73 N ATOM 1288 CA THR A 81 10.640 5.443 7.418 1.00 0.36 C ATOM 1289 C THR A 81 10.744 5.743 5.911 1.00 0.57 C ATOM 1290 O THR A 81 11.090 6.852 5.516 1.00 -0.57 O ATOM 1291 CB THR A 81 9.639 6.378 8.132 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.659 6.074 9.516 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.189 6.234 7.655 1.00 0.00 C ATOM 0 H THR A 81 11.921 6.343 8.780 1.00 -0.73 H new ATOM 0 HA THR A 81 10.294 4.413 7.500 1.00 0.36 H new ATOM 0 HB THR A 81 9.955 7.396 7.905 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.030 6.659 9.988 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.554 6.926 8.208 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.132 6.460 6.590 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.849 5.213 7.827 1.00 0.00 H new ATOM 1301 N LEU A 82 10.439 4.763 5.059 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.536 4.858 3.604 1.00 0.36 C ATOM 1303 C LEU A 82 9.292 5.472 2.946 1.00 0.57 C ATOM 1304 O LEU A 82 9.387 6.163 1.927 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.773 3.454 3.015 1.00 0.00 C ATOM 1306 CG LEU A 82 12.182 2.890 3.305 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.276 2.050 4.586 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.617 1.982 2.158 1.00 0.00 C ATOM 0 H LEU A 82 10.107 3.852 5.375 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.372 5.524 3.390 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.027 2.769 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.621 3.491 1.936 1.00 0.00 H new ATOM 0 HG LEU A 82 12.820 3.766 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.298 1.694 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.996 2.662 5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.601 1.197 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.611 1.585 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.911 1.158 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.640 2.554 1.230 1.00 0.00 H new ATOM 1320 N ALA A 83 8.113 5.199 3.510 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.831 5.631 2.975 1.00 0.36 C ATOM 1322 C ALA A 83 5.805 5.639 4.110 1.00 0.57 C ATOM 1323 O ALA A 83 6.037 5.018 5.150 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.434 4.693 1.824 1.00 0.00 C ATOM 0 H ALA A 83 8.027 4.659 4.371 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.884 6.642 2.571 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.474 5.006 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.193 4.734 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.353 3.672 2.198 1.00 0.00 H new ATOM 1330 N HIS A 84 4.686 6.346 3.945 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.586 6.324 4.901 1.00 0.36 C ATOM 1332 C HIS A 84 2.268 6.540 4.177 1.00 0.57 C ATOM 1333 O HIS A 84 2.206 7.269 3.185 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.782 7.367 6.021 1.00 0.17 C ATOM 1335 CG HIS A 84 3.798 8.832 5.618 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.799 9.723 5.919 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 2.818 9.554 4.978 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.457 10.921 5.428 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.251 10.880 4.839 1.00 -0.70 N ATOM 0 H HIS A 84 4.520 6.951 3.141 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.569 5.345 5.379 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.987 7.228 6.753 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.723 7.146 6.526 1.00 0.17 H new ATOM 0 HD1 HIS A 84 5.656 9.509 6.429 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 1.870 9.163 4.638 1.00 0.20 H new ATOM 0 HE1 HIS A 84 5.072 11.806 5.497 1.00 0.65 H new ATOM 1348 N ALA A 85 1.188 5.994 4.738 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.145 6.096 4.174 1.00 0.36 C ATOM 1350 C ALA A 85 -1.159 6.249 5.294 1.00 0.57 C ATOM 1351 O ALA A 85 -0.902 5.862 6.441 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.439 4.846 3.342 1.00 0.00 C ATOM 0 H ALA A 85 1.222 5.463 5.608 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.210 6.970 3.526 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.440 4.919 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.292 4.764 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.379 3.963 3.978 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.318 6.803 4.943 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.363 7.134 5.899 1.00 0.36 C ATOM 1360 C PHE A 86 -4.541 6.179 5.690 1.00 0.57 C ATOM 1361 O PHE A 86 -4.831 5.784 4.561 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.753 8.610 5.724 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.584 9.563 5.489 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.562 9.725 6.448 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.481 10.242 4.263 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.465 10.566 6.177 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.393 11.084 3.989 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.381 11.248 4.951 1.00 -0.15 C ATOM 0 H PHE A 86 -2.556 7.035 3.979 1.00 -0.73 H new ATOM 0 HA PHE A 86 -3.018 7.011 6.926 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.443 8.691 4.884 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.294 8.935 6.613 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.621 9.203 7.392 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.253 10.113 3.519 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.315 10.687 6.914 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.333 11.604 3.044 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.459 11.896 4.748 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.223 5.805 6.778 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.395 4.932 6.725 1.00 0.36 C ATOM 1380 C ALA A 87 -7.534 5.631 5.964 1.00 0.57 C ATOM 1381 O ALA A 87 -7.609 6.858 6.020 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.832 4.604 8.157 1.00 0.00 C ATOM 0 H ALA A 87 -4.975 6.102 7.722 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.148 4.009 6.201 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.706 3.953 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.019 4.099 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.082 5.526 8.681 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.441 4.898 5.292 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.510 5.507 4.507 1.00 0.36 C ATOM 1390 C PRO A 88 -10.534 6.227 5.396 1.00 0.57 C ATOM 1391 O PRO A 88 -10.682 5.906 6.576 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.135 4.357 3.719 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.831 3.113 4.534 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.525 3.446 5.252 1.00 0.30 C ATOM 0 HA PRO A 88 -9.130 6.283 3.842 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.209 4.498 3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.709 4.287 2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.631 2.895 5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.723 2.236 3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.517 3.028 6.259 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.671 3.021 4.724 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.272 7.184 4.811 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.343 7.885 5.526 1.00 0.36 C ATOM 1404 C GLY A 89 -13.029 9.031 4.767 1.00 0.57 C ATOM 1405 O GLY A 89 -13.666 9.870 5.408 1.00 -0.57 O ATOM 0 H GLY A 89 -11.144 7.488 3.846 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.103 7.155 5.805 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.931 8.286 6.452 1.00 0.36 H new ATOM 1409 N THR A 90 -12.950 9.048 3.426 1.00 -0.73 N ATOM 1410 CA THR A 90 -13.422 10.107 2.518 1.00 0.36 C ATOM 1411 C THR A 90 -12.670 11.449 2.682 1.00 0.57 C ATOM 1412 O THR A 90 -13.211 12.429 3.189 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.969 10.211 2.451 1.00 0.28 C ATOM 1414 OG1 THR A 90 -15.593 10.674 3.642 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -15.622 8.868 2.090 1.00 0.00 C ATOM 0 H THR A 90 -12.528 8.273 2.915 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.141 9.789 1.514 1.00 0.36 H new ATOM 0 HB THR A 90 -15.130 10.955 1.671 1.00 0.28 H new ATOM 0 HG1 THR A 90 -14.990 10.536 4.402 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -16.705 8.988 2.054 1.00 0.00 H new ATOM 0 HG22 THR A 90 -15.261 8.538 1.116 1.00 0.00 H new ATOM 0 HG23 THR A 90 -15.364 8.124 2.843 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.401 11.513 2.246 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.628 12.753 2.307 1.00 0.36 C ATOM 1425 C GLY A 91 -9.155 12.535 1.983 1.00 0.57 C ATOM 1426 O GLY A 91 -8.839 11.986 0.920 1.00 -0.57 O ATOM 0 H GLY A 91 -10.895 10.721 1.850 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -11.048 13.475 1.607 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.718 13.186 3.303 1.00 0.36 H new ATOM 1430 N LEU A 92 -8.285 13.001 2.892 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.862 12.652 2.974 1.00 0.36 C ATOM 1432 C LEU A 92 -6.670 11.202 3.469 1.00 0.57 C ATOM 1433 O LEU A 92 -5.551 10.705 3.532 1.00 -0.57 O ATOM 1434 CB LEU A 92 -6.171 13.619 3.956 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.622 13.617 3.881 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -4.108 14.822 3.081 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.015 13.625 5.291 1.00 0.00 C ATOM 0 H LEU A 92 -8.567 13.658 3.619 1.00 -0.73 H new ATOM 0 HA LEU A 92 -6.424 12.734 1.979 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -6.530 14.630 3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.473 13.362 4.971 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.313 12.706 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.019 14.796 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.507 14.783 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.433 15.744 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.927 13.623 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.342 14.518 5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.344 12.739 5.834 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.744 10.514 3.866 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.663 9.107 4.196 1.00 0.36 C ATOM 1451 C GLY A 93 -7.499 8.303 2.914 1.00 0.57 C ATOM 1452 O GLY A 93 -8.284 8.495 1.987 1.00 -0.57 O ATOM 0 H GLY A 93 -8.676 10.918 3.964 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.821 8.925 4.864 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.563 8.792 4.725 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.508 7.406 2.876 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.174 6.545 1.748 1.00 0.36 C ATOM 1458 C GLY A 94 -4.915 7.000 1.009 1.00 0.57 C ATOM 1459 O GLY A 94 -4.233 6.195 0.375 1.00 -0.57 O ATOM 0 H GLY A 94 -5.889 7.257 3.673 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.032 5.525 2.105 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.012 6.525 1.051 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.619 8.294 1.067 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.498 8.915 0.381 1.00 0.36 C ATOM 1465 C ASP A 95 -2.202 8.343 0.984 1.00 0.57 C ATOM 1466 O ASP A 95 -2.147 8.000 2.172 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.625 10.457 0.510 1.00 0.06 C ATOM 1468 CG ASP A 95 -5.028 10.978 0.128 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -6.000 10.568 0.741 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.215 11.814 -0.890 1.00 -0.65 O ATOM 0 H ASP A 95 -5.171 8.958 1.610 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.485 8.696 -0.687 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.401 10.751 1.535 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.880 10.933 -0.128 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.160 8.216 0.157 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.087 7.557 0.513 1.00 0.36 C ATOM 1478 C ALA A 96 1.255 8.334 -0.076 1.00 0.57 C ATOM 1479 O ALA A 96 1.193 8.809 -1.216 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.091 6.111 0.004 1.00 0.00 C ATOM 0 H ALA A 96 -1.166 8.578 -0.797 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.185 7.534 1.598 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.031 5.631 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.739 5.565 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.015 6.107 -1.081 1.00 0.00 H new ATOM 1486 N HIS A 97 2.339 8.429 0.696 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.522 9.178 0.324 1.00 0.36 C ATOM 1488 C HIS A 97 4.765 8.327 0.503 1.00 0.57 C ATOM 1489 O HIS A 97 4.782 7.430 1.337 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.620 10.497 1.096 1.00 0.17 C ATOM 1491 CG HIS A 97 2.560 11.522 0.773 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.102 12.492 1.647 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.924 11.687 -0.425 1.00 0.20 C ATOM 1494 CE1 HIS A 97 1.176 13.211 0.979 1.00 0.65 C ATOM 1495 NE2 HIS A 97 1.047 12.736 -0.275 1.00 -0.70 N ATOM 0 H HIS A 97 2.412 7.979 1.608 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.442 9.438 -0.731 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.574 10.277 2.163 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.598 10.938 0.903 1.00 0.17 H new ATOM 0 HD2 HIS A 97 2.080 11.104 -1.321 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.621 14.043 1.388 1.00 0.65 H new ATOM 0 HE2 HIS A 97 0.411 13.092 -0.988 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.807 8.621 -0.281 1.00 -0.73 N ATOM 1505 CA PHE A 98 7.026 7.820 -0.355 1.00 0.36 C ATOM 1506 C PHE A 98 8.216 8.764 -0.569 1.00 0.57 C ATOM 1507 O PHE A 98 8.048 9.857 -1.119 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.944 6.783 -1.504 1.00 0.14 C ATOM 1509 CG PHE A 98 5.676 5.930 -1.632 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.410 6.502 -1.899 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.762 4.529 -1.506 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.250 5.714 -1.920 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.605 3.731 -1.575 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.345 4.324 -1.756 1.00 -0.15 C ATOM 0 H PHE A 98 5.824 9.438 -0.892 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.151 7.266 0.575 1.00 0.36 H new ATOM 0 HB2 PHE A 98 7.079 7.318 -2.444 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.791 6.104 -1.399 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.336 7.562 -2.090 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 6.725 4.063 -1.355 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.285 6.177 -2.062 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 4.686 2.658 -1.488 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.454 3.713 -1.769 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.417 8.347 -0.163 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.631 9.149 -0.324 1.00 0.36 C ATOM 1526 C ASP A 99 11.332 8.731 -1.631 1.00 0.57 C ATOM 1527 O ASP A 99 11.998 7.705 -1.683 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.512 8.998 0.939 1.00 0.06 C ATOM 1529 CG ASP A 99 12.146 10.313 1.413 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.381 11.191 0.599 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 12.369 10.435 2.718 1.00 -0.65 O ATOM 0 H ASP A 99 9.575 7.445 0.286 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.405 10.211 -0.414 1.00 0.36 H new ATOM 0 HB2 ASP A 99 10.906 8.586 1.746 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.303 8.277 0.734 1.00 0.06 H new ATOM 1537 N GLU A 100 11.150 9.480 -2.726 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.764 9.268 -4.049 1.00 0.36 C ATOM 1539 C GLU A 100 13.292 9.240 -3.982 1.00 0.57 C ATOM 1540 O GLU A 100 13.917 8.623 -4.838 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.303 10.384 -5.012 1.00 0.00 C ATOM 1542 CG GLU A 100 11.682 10.215 -6.501 1.00 0.06 C ATOM 1543 CD GLU A 100 13.035 10.794 -6.971 1.00 0.66 C ATOM 1544 OE1 GLU A 100 13.317 11.945 -6.681 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 13.758 10.073 -7.823 1.00 -0.65 O ATOM 0 H GLU A 100 10.537 10.296 -2.715 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.438 8.294 -4.414 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.218 10.466 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.717 11.329 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.677 9.149 -6.729 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.895 10.673 -7.101 1.00 0.06 H new ATOM 1553 N ASP A 101 13.882 9.898 -2.973 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.327 9.930 -2.733 1.00 0.36 C ATOM 1555 C ASP A 101 15.874 8.502 -2.597 1.00 0.57 C ATOM 1556 O ASP A 101 16.922 8.158 -3.153 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.588 10.759 -1.452 1.00 0.06 C ATOM 1558 CG ASP A 101 17.043 11.201 -1.215 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.951 10.495 -1.620 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.228 12.340 -0.554 1.00 -0.65 O ATOM 0 H ASP A 101 13.352 10.435 -2.286 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.842 10.395 -3.573 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.960 11.650 -1.486 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.263 10.173 -0.592 1.00 0.06 H new ATOM 1566 N GLU A 102 15.109 7.652 -1.901 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.435 6.257 -1.687 1.00 0.36 C ATOM 1568 C GLU A 102 15.330 5.523 -3.021 1.00 0.57 C ATOM 1569 O GLU A 102 14.303 5.585 -3.687 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.473 5.650 -0.656 1.00 0.00 C ATOM 1571 CG GLU A 102 14.609 6.329 0.718 1.00 0.06 C ATOM 1572 CD GLU A 102 13.503 5.952 1.698 1.00 0.66 C ATOM 1573 OE1 GLU A 102 13.571 6.431 2.818 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 12.557 5.113 1.286 1.00 -0.65 O ATOM 0 H GLU A 102 14.230 7.931 -1.466 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.450 6.161 -1.301 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.448 5.751 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.673 4.583 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.573 6.063 1.151 1.00 0.06 H new ATOM 0 HG3 GLU A 102 14.608 7.410 0.581 1.00 0.06 H new ATOM 1582 N ARG A 103 16.393 4.810 -3.400 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.441 3.957 -4.587 1.00 0.36 C ATOM 1584 C ARG A 103 15.276 2.953 -4.617 1.00 0.57 C ATOM 1585 O ARG A 103 15.306 1.895 -3.974 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.818 3.284 -4.689 1.00 0.00 C ATOM 1587 CG ARG A 103 18.114 2.365 -3.485 1.00 0.00 C ATOM 1588 CD ARG A 103 19.466 2.632 -2.829 1.00 0.33 C ATOM 1589 NE ARG A 103 19.412 2.227 -1.413 1.00 -0.84 N ATOM 1590 CZ ARG A 103 20.046 2.841 -0.405 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.030 3.705 -0.663 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 19.673 2.597 0.851 1.00 -0.97 N ATOM 0 H ARG A 103 17.267 4.811 -2.875 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.311 4.577 -5.474 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.867 2.701 -5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 103 18.590 4.051 -4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 103 17.328 2.491 -2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.078 1.326 -3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 103 20.249 2.079 -3.347 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.718 3.690 -2.907 1.00 0.33 H new ATOM 0 HE ARG A 103 18.845 1.412 -1.181 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 21.299 3.898 -1.628 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 21.513 4.172 0.105 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 18.910 1.947 1.039 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 20.151 3.060 1.624 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.238 3.287 -5.373 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.134 2.388 -5.624 1.00 0.36 C ATOM 1608 C TRP A 104 13.529 1.469 -6.778 1.00 0.57 C ATOM 1609 O TRP A 104 14.226 1.898 -7.695 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.891 3.221 -5.935 1.00 0.18 C ATOM 1611 CG TRP A 104 11.381 4.032 -4.788 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.548 5.363 -4.606 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.737 3.551 -3.571 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.094 5.721 -3.354 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.577 4.645 -2.673 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.353 2.278 -3.103 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.062 4.492 -1.378 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.826 2.117 -1.810 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.667 3.216 -0.950 1.00 -0.15 C ATOM 0 H TRP A 104 14.144 4.195 -5.829 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.904 1.766 -4.759 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.117 3.891 -6.764 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.098 2.554 -6.272 1.00 0.18 H new ATOM 0 HD1 TRP A 104 11.972 6.042 -5.331 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.137 6.669 -2.979 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.465 1.417 -3.745 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.971 5.344 -0.720 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.539 1.132 -1.472 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.244 3.080 0.034 1.00 -0.15 H new ATOM 1630 N THR A 105 13.076 0.215 -6.749 1.00 -0.73 N ATOM 1631 CA THR A 105 13.353 -0.760 -7.798 1.00 0.36 C ATOM 1632 C THR A 105 12.090 -1.597 -8.002 1.00 0.57 C ATOM 1633 O THR A 105 11.344 -1.847 -7.054 1.00 -0.57 O ATOM 1634 CB THR A 105 14.609 -1.583 -7.429 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.891 -2.568 -8.401 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.543 -2.255 -6.055 1.00 0.00 C ATOM 0 H THR A 105 12.502 -0.153 -5.990 1.00 -0.73 H new ATOM 0 HA THR A 105 13.588 -0.285 -8.750 1.00 0.36 H new ATOM 0 HB THR A 105 15.410 -0.845 -7.393 1.00 0.28 H new ATOM 0 HG1 THR A 105 14.473 -3.415 -8.140 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.464 -2.811 -5.877 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.423 -1.494 -5.283 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.695 -2.939 -6.025 1.00 0.00 H new ATOM 1644 N ASP A 106 11.833 -2.041 -9.234 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.650 -2.820 -9.605 1.00 0.36 C ATOM 1646 C ASP A 106 10.870 -4.337 -9.437 1.00 0.57 C ATOM 1647 O ASP A 106 10.121 -5.163 -9.965 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.180 -2.399 -11.011 1.00 0.06 C ATOM 1649 CG ASP A 106 11.177 -2.602 -12.151 1.00 0.66 C ATOM 1650 OD1 ASP A 106 12.300 -2.140 -12.030 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 10.699 -3.209 -13.234 1.00 -0.65 O ATOM 0 H ASP A 106 12.457 -1.864 -10.021 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.838 -2.595 -8.913 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.273 -2.954 -11.248 1.00 0.06 H new ATOM 0 HB3 ASP A 106 9.909 -1.344 -10.979 1.00 0.06 H new ATOM 1657 N GLY A 107 11.904 -4.706 -8.677 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.397 -6.057 -8.477 1.00 0.36 C ATOM 1659 C GLY A 107 13.874 -5.970 -8.108 1.00 0.57 C ATOM 1660 O GLY A 107 14.301 -4.945 -7.560 1.00 -0.57 O ATOM 0 H GLY A 107 12.449 -4.020 -8.155 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.835 -6.554 -7.686 1.00 0.36 H new ATOM 0 HA3 GLY A 107 12.265 -6.649 -9.383 1.00 0.36 H new ATOM 1664 N SER A 108 14.647 -7.014 -8.439 1.00 -0.73 N ATOM 1665 CA SER A 108 16.053 -7.143 -8.061 1.00 0.36 C ATOM 1666 C SER A 108 16.200 -7.310 -6.537 1.00 0.57 C ATOM 1667 O SER A 108 15.213 -7.481 -5.812 1.00 -0.57 O ATOM 1668 CB SER A 108 16.883 -5.979 -8.654 1.00 0.28 C ATOM 1669 OG SER A 108 17.605 -6.406 -9.786 1.00 -0.68 O ATOM 0 H SER A 108 14.303 -7.803 -8.986 1.00 -0.73 H new ATOM 0 HA SER A 108 16.464 -8.055 -8.494 1.00 0.36 H new ATOM 0 HB2 SER A 108 16.221 -5.157 -8.928 1.00 0.28 H new ATOM 0 HB3 SER A 108 17.572 -5.597 -7.901 1.00 0.28 H new ATOM 0 HG SER A 108 18.122 -5.655 -10.147 1.00 -0.68 H new ATOM 1675 N SER A 109 17.444 -7.304 -6.051 1.00 -0.73 N ATOM 1676 CA SER A 109 17.790 -7.353 -4.635 1.00 0.36 C ATOM 1677 C SER A 109 18.347 -5.986 -4.202 1.00 0.57 C ATOM 1678 O SER A 109 18.449 -5.064 -5.019 1.00 -0.57 O ATOM 1679 CB SER A 109 18.781 -8.508 -4.415 1.00 0.28 C ATOM 1680 OG SER A 109 19.928 -8.376 -5.233 1.00 -0.68 O ATOM 0 H SER A 109 18.264 -7.263 -6.657 1.00 -0.73 H new ATOM 0 HA SER A 109 16.916 -7.547 -4.014 1.00 0.36 H new ATOM 0 HB2 SER A 109 19.082 -8.535 -3.368 1.00 0.28 H new ATOM 0 HB3 SER A 109 18.288 -9.456 -4.629 1.00 0.28 H new ATOM 0 HG SER A 109 20.537 -9.126 -5.066 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.709 -5.852 -2.915 1.00 -0.73 N ATOM 1687 CA LEU A 110 19.363 -4.694 -2.284 1.00 0.36 C ATOM 1688 C LEU A 110 18.440 -3.478 -2.120 1.00 0.57 C ATOM 1689 O LEU A 110 18.250 -2.995 -0.996 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.646 -4.273 -3.050 1.00 0.00 C ATOM 1691 CG LEU A 110 21.904 -4.275 -2.168 1.00 0.00 C ATOM 1692 CD1 LEU A 110 22.455 -5.700 -2.045 1.00 0.00 C ATOM 1693 CD2 LEU A 110 22.964 -3.350 -2.776 1.00 0.00 C ATOM 0 H LEU A 110 18.541 -6.601 -2.243 1.00 -0.73 H new ATOM 0 HA LEU A 110 19.632 -5.033 -1.284 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.798 -4.950 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.503 -3.276 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 110 21.645 -3.912 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 110 23.347 -5.692 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.700 -6.344 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.711 -6.078 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 110 23.854 -3.354 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 110 23.223 -3.701 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.569 -2.336 -2.839 1.00 0.00 H new ATOM 1705 N GLY A 111 17.912 -2.993 -3.250 1.00 -0.73 N ATOM 1706 CA GLY A 111 17.009 -1.859 -3.347 1.00 0.36 C ATOM 1707 C GLY A 111 15.623 -2.242 -2.850 1.00 0.57 C ATOM 1708 O GLY A 111 15.339 -3.420 -2.617 1.00 -0.57 O ATOM 0 H GLY A 111 18.118 -3.406 -4.160 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.396 -1.026 -2.760 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.951 -1.520 -4.381 1.00 0.36 H new ATOM 1712 N ILE A 112 14.751 -1.248 -2.688 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.444 -1.469 -2.094 1.00 0.36 C ATOM 1714 C ILE A 112 12.432 -1.737 -3.206 1.00 0.57 C ATOM 1715 O ILE A 112 12.246 -0.904 -4.097 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.088 -0.291 -1.168 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.160 -0.183 -0.050 1.00 0.00 C ATOM 1718 CG2 ILE A 112 11.706 -0.526 -0.536 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.126 0.991 -0.250 1.00 0.00 C ATOM 0 H ILE A 112 14.931 -0.282 -2.962 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.437 -2.353 -1.456 1.00 0.36 H new ATOM 0 HB ILE A 112 13.063 0.633 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.661 -0.075 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.730 -1.111 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.458 0.310 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.955 -0.606 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.723 -1.448 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.849 1.010 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.651 0.873 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 112 14.566 1.926 -0.259 1.00 0.00 H new ATOM 1731 N ASN A 113 11.796 -2.917 -3.142 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.787 -3.327 -4.107 1.00 0.36 C ATOM 1733 C ASN A 113 9.583 -2.390 -4.019 1.00 0.57 C ATOM 1734 O ASN A 113 8.837 -2.414 -3.035 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.356 -4.788 -3.897 1.00 0.06 C ATOM 1736 CG ASN A 113 9.308 -5.236 -4.923 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.988 -4.543 -5.887 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 8.714 -6.401 -4.735 1.00 -0.80 N ATOM 0 H ASN A 113 11.974 -3.609 -2.414 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.223 -3.263 -5.104 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.230 -5.436 -3.966 1.00 0.06 H new ATOM 0 HB3 ASN A 113 9.951 -4.905 -2.892 1.00 0.06 H new ATOM 0 HD21 ASN A 113 7.997 -6.719 -5.387 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 8.973 -6.983 -3.938 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.377 -1.614 -5.086 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.240 -0.720 -5.240 1.00 0.36 C ATOM 1747 C PHE A 114 6.935 -1.473 -5.029 1.00 0.57 C ATOM 1748 O PHE A 114 6.026 -0.941 -4.402 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.241 -0.085 -6.641 1.00 0.14 C ATOM 1750 CG PHE A 114 7.646 1.312 -6.677 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.311 1.574 -6.313 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 8.478 2.381 -7.028 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 5.852 2.902 -6.224 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 8.037 3.707 -6.924 1.00 -0.15 C ATOM 1755 CZ PHE A 114 6.724 3.965 -6.507 1.00 -0.15 C ATOM 0 H PHE A 114 10.014 -1.594 -5.882 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.325 0.065 -4.489 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.265 -0.044 -7.011 1.00 0.14 H new ATOM 0 HB3 PHE A 114 7.682 -0.727 -7.322 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.639 0.756 -6.102 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 9.477 2.181 -7.385 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 4.830 3.103 -5.938 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 8.703 4.523 -7.163 1.00 -0.15 H new ATOM 0 HZ PHE A 114 6.382 4.984 -6.403 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.829 -2.708 -5.535 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.581 -3.444 -5.465 1.00 0.36 C ATOM 1767 C LEU A 115 5.255 -3.783 -4.019 1.00 0.57 C ATOM 1768 O LEU A 115 4.117 -3.619 -3.604 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.648 -4.721 -6.319 1.00 0.00 C ATOM 1770 CG LEU A 115 4.258 -5.156 -6.823 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.725 -4.144 -7.838 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.357 -6.523 -7.513 1.00 0.00 C ATOM 0 H LEU A 115 7.592 -3.207 -5.992 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.786 -2.815 -5.865 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.306 -4.552 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.088 -5.527 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 115 3.586 -5.214 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.743 -4.462 -8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.643 -3.165 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.409 -4.083 -8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.371 -6.824 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.041 -6.455 -8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.730 -7.262 -6.804 1.00 0.00 H new ATOM 1784 N TYR A 116 6.252 -4.218 -3.244 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.082 -4.516 -1.828 1.00 0.36 C ATOM 1786 C TYR A 116 5.649 -3.251 -1.084 1.00 0.57 C ATOM 1787 O TYR A 116 4.687 -3.291 -0.317 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.391 -5.106 -1.280 1.00 0.14 C ATOM 1789 CG TYR A 116 7.268 -5.904 0.007 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.498 -7.070 0.013 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.997 -5.568 1.157 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.474 -7.912 1.137 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.981 -6.397 2.296 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.215 -7.586 2.287 1.00 0.08 C ATOM 1795 OH TYR A 116 7.190 -8.422 3.365 1.00 -0.53 O ATOM 0 H TYR A 116 7.200 -4.372 -3.586 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.297 -5.258 -1.680 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.826 -5.750 -2.045 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.094 -4.290 -1.114 1.00 0.14 H new ATOM 0 HD1 TYR A 116 5.914 -7.327 -0.858 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 8.580 -4.659 1.170 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 5.883 -8.816 1.118 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 8.551 -6.126 3.172 1.00 -0.15 H new ATOM 0 HH TYR A 116 8.029 -8.337 3.865 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.306 -2.118 -1.371 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.989 -0.832 -0.765 1.00 0.36 C ATOM 1807 C ALA A 117 4.565 -0.394 -1.098 1.00 0.57 C ATOM 1808 O ALA A 117 3.785 -0.081 -0.200 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.998 0.206 -1.260 1.00 0.00 C ATOM 0 H ALA A 117 7.078 -2.076 -2.037 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.052 -0.925 0.319 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.772 1.175 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.004 -0.100 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.937 0.284 -2.346 1.00 0.00 H new ATOM 1815 N ALA A 118 4.221 -0.396 -2.390 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.920 0.020 -2.870 1.00 0.36 C ATOM 1817 C ALA A 118 1.851 -0.908 -2.306 1.00 0.57 C ATOM 1818 O ALA A 118 0.940 -0.413 -1.661 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.899 0.050 -4.401 1.00 0.00 C ATOM 0 H ALA A 118 4.854 -0.692 -3.133 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.708 1.032 -2.526 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.914 0.365 -4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.651 0.752 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.117 -0.946 -4.787 1.00 0.00 H new ATOM 1825 N THR A 119 1.970 -2.231 -2.467 1.00 -0.73 N ATOM 1826 CA THR A 119 0.998 -3.193 -1.949 1.00 0.36 C ATOM 1827 C THR A 119 0.831 -3.054 -0.429 1.00 0.57 C ATOM 1828 O THR A 119 -0.300 -3.156 0.050 1.00 -0.57 O ATOM 1829 CB THR A 119 1.413 -4.617 -2.362 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.487 -4.686 -3.769 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.420 -5.709 -1.959 1.00 0.00 C ATOM 0 H THR A 119 2.749 -2.664 -2.964 1.00 -0.73 H new ATOM 0 HA THR A 119 0.021 -2.984 -2.384 1.00 0.36 H new ATOM 0 HB THR A 119 2.360 -4.794 -1.853 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.354 -4.340 -4.068 1.00 -0.68 H new ATOM 0 HG21 THR A 119 0.792 -6.679 -2.289 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.305 -5.714 -0.875 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.546 -5.513 -2.425 1.00 0.00 H new ATOM 1839 N HIS A 120 1.911 -2.785 0.321 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.846 -2.528 1.760 1.00 0.36 C ATOM 1841 C HIS A 120 1.017 -1.268 2.043 1.00 0.57 C ATOM 1842 O HIS A 120 0.073 -1.310 2.832 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.289 -2.432 2.309 1.00 0.17 C ATOM 1844 CG HIS A 120 3.411 -2.158 3.788 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.022 -2.957 4.738 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.933 -1.059 4.442 1.00 0.20 C ATOM 1847 CE1 HIS A 120 3.875 -2.370 5.938 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.196 -1.224 5.781 1.00 -0.70 N ATOM 0 H HIS A 120 2.856 -2.740 -0.060 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.341 -3.346 2.273 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.805 -3.366 2.088 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.812 -1.643 1.768 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.501 -3.839 4.559 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.438 -0.213 3.989 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.244 -2.758 6.876 1.00 0.65 H new ATOM 1857 N GLU A 121 1.371 -0.139 1.421 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.750 1.165 1.667 1.00 0.36 C ATOM 1859 C GLU A 121 -0.708 1.171 1.195 1.00 0.57 C ATOM 1860 O GLU A 121 -1.602 1.631 1.911 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.562 2.230 0.918 1.00 0.00 C ATOM 1862 CG GLU A 121 2.976 2.404 1.501 1.00 0.06 C ATOM 1863 CD GLU A 121 3.032 3.540 2.510 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.056 3.245 3.693 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.035 4.776 2.019 1.00 -0.65 O ATOM 0 H GLU A 121 2.111 -0.106 0.720 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.748 1.378 2.736 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.637 1.954 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.034 3.183 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.289 1.476 1.980 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.681 2.600 0.693 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.947 0.597 0.014 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.264 0.404 -0.566 1.00 0.36 C ATOM 1875 C LEU A 122 -3.122 -0.507 0.304 1.00 0.57 C ATOM 1876 O LEU A 122 -4.336 -0.335 0.335 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.154 -0.196 -1.974 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.610 0.767 -3.050 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -1.296 -0.054 -4.306 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -2.595 1.905 -3.349 1.00 0.00 C ATOM 0 H LEU A 122 -0.197 0.244 -0.581 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.740 1.383 -0.626 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.507 -1.072 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.140 -0.543 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.702 1.248 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.909 0.604 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.550 -0.812 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.206 -0.539 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.174 2.560 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.535 1.487 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.777 2.477 -2.439 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.522 -1.454 1.032 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.244 -2.234 2.020 1.00 0.36 C ATOM 1894 C GLY A 123 -3.872 -1.324 3.065 1.00 0.57 C ATOM 1895 O GLY A 123 -5.084 -1.385 3.285 1.00 -0.57 O ATOM 0 H GLY A 123 -1.534 -1.693 0.949 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.019 -2.824 1.530 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.566 -2.937 2.503 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.073 -0.427 3.657 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.594 0.518 4.634 1.00 0.36 C ATOM 1901 C HIS A 124 -4.685 1.385 4.026 1.00 0.57 C ATOM 1902 O HIS A 124 -5.748 1.500 4.639 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.492 1.387 5.244 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.521 0.565 6.038 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.823 -0.153 7.168 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.215 0.321 5.728 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.720 -0.831 7.522 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.294 -0.560 6.687 1.00 -0.70 N ATOM 0 H HIS A 124 -2.073 -0.341 3.474 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.028 -0.070 5.443 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.961 1.914 4.451 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.939 2.146 5.887 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.329 0.734 4.891 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.657 -1.503 8.365 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.245 -0.924 6.741 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.455 1.920 2.819 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.443 2.760 2.157 1.00 0.36 C ATOM 1919 C SER A 125 -6.745 2.010 1.868 1.00 0.57 C ATOM 1920 O SER A 125 -7.815 2.610 1.925 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.865 3.384 0.885 1.00 0.28 C ATOM 1922 OG SER A 125 -4.769 2.496 -0.199 1.00 -0.68 O ATOM 0 H SER A 125 -3.595 1.782 2.289 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.694 3.565 2.848 1.00 0.36 H new ATOM 0 HB2 SER A 125 -5.488 4.230 0.593 1.00 0.28 H new ATOM 0 HB3 SER A 125 -3.873 3.779 1.106 1.00 0.28 H new ATOM 0 HG SER A 125 -4.687 1.579 0.136 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.674 0.700 1.598 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.841 -0.147 1.414 1.00 0.36 C ATOM 1930 C LEU A 126 -8.709 -0.149 2.678 1.00 0.57 C ATOM 1931 O LEU A 126 -9.931 -0.001 2.599 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.379 -1.582 1.072 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.272 -2.350 0.092 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.737 -2.363 0.537 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -8.126 -1.785 -1.327 1.00 0.00 C ATOM 0 H LEU A 126 -5.790 0.201 1.502 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.443 0.243 0.593 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.373 -1.531 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.312 -2.153 1.998 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.936 -3.387 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.332 -2.918 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.816 -2.840 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.107 -1.340 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.768 -2.343 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.418 -0.735 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.089 -1.875 -1.650 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.070 -0.315 3.842 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.766 -0.401 5.117 1.00 0.36 C ATOM 1949 C GLY A 127 -7.994 -1.141 6.208 1.00 0.57 C ATOM 1950 O GLY A 127 -8.615 -1.859 6.990 1.00 -0.57 O ATOM 0 H GLY A 127 -7.056 -0.393 3.919 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.987 0.608 5.466 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.722 -0.901 4.962 1.00 0.36 H new ATOM 1954 N MET A 128 -6.668 -1.001 6.275 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.831 -1.762 7.211 1.00 0.36 C ATOM 1956 C MET A 128 -4.999 -0.800 8.052 1.00 0.57 C ATOM 1957 O MET A 128 -4.806 0.359 7.693 1.00 -0.57 O ATOM 1958 CB MET A 128 -4.933 -2.774 6.466 1.00 0.00 C ATOM 1959 CG MET A 128 -5.441 -4.223 6.496 1.00 0.23 C ATOM 1960 SD MET A 128 -7.126 -4.555 5.912 1.00 -0.46 S ATOM 1961 CE MET A 128 -7.089 -3.828 4.256 1.00 0.23 C ATOM 0 H MET A 128 -6.143 -0.358 5.683 1.00 -0.73 H new ATOM 0 HA MET A 128 -6.479 -2.337 7.872 1.00 0.36 H new ATOM 0 HB2 MET A 128 -4.837 -2.458 5.427 1.00 0.00 H new ATOM 0 HB3 MET A 128 -3.935 -2.744 6.902 1.00 0.00 H new ATOM 0 HG2 MET A 128 -4.757 -4.828 5.900 1.00 0.23 H new ATOM 0 HG3 MET A 128 -5.369 -4.580 7.523 1.00 0.23 H new ATOM 0 HE1 MET A 128 -7.505 -4.535 3.539 1.00 0.23 H new ATOM 0 HE2 MET A 128 -7.680 -2.912 4.247 1.00 0.23 H new ATOM 0 HE3 MET A 128 -6.059 -3.598 3.983 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.449 -1.298 9.161 1.00 -0.73 N ATOM 1972 CA GLY A 129 -3.812 -0.475 10.181 1.00 0.36 C ATOM 1973 C GLY A 129 -2.422 -0.983 10.529 1.00 0.57 C ATOM 1974 O GLY A 129 -1.500 -0.174 10.511 1.00 -0.57 O ATOM 0 H GLY A 129 -4.435 -2.295 9.375 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -3.745 0.554 9.828 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.431 -0.465 11.078 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.271 -2.297 10.756 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.030 -3.066 10.904 1.00 0.36 C ATOM 1980 C HIS A 130 -1.394 -4.450 11.460 1.00 0.57 C ATOM 1981 O HIS A 130 -2.577 -4.751 11.633 1.00 -0.57 O ATOM 1982 CB HIS A 130 0.058 -2.342 11.746 1.00 0.17 C ATOM 1983 CG HIS A 130 1.060 -1.573 10.912 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.612 -1.981 9.728 1.00 -0.70 N flip ATOM 1985 CD2 HIS A 130 1.579 -0.321 11.169 1.00 0.20 C flip ATOM 1986 CE1 HIS A 130 2.444 -0.972 9.250 1.00 0.65 C flip ATOM 1987 NE2 HIS A 130 2.391 0.012 10.155 1.00 -0.70 N flip ATOM 0 H HIS A 130 -3.088 -2.900 10.849 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.563 -3.174 9.925 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -0.428 -1.655 12.439 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.589 -3.079 12.348 1.00 0.17 H new ATOM 0 HD1 HIS A 130 1.442 -2.877 9.271 1.00 -0.70 H new ATOM 0 HD2 HIS A 130 1.368 0.286 12.037 1.00 0.20 H new ATOM 0 HE1 HIS A 130 3.016 -0.982 8.334 1.00 0.65 H new ATOM 1996 N SER A 131 -0.393 -5.294 11.722 1.00 -0.73 N ATOM 1997 CA SER A 131 -0.557 -6.589 12.361 1.00 0.36 C ATOM 1998 C SER A 131 0.747 -6.934 13.108 1.00 0.57 C ATOM 1999 O SER A 131 1.655 -6.098 13.172 1.00 -0.57 O ATOM 2000 CB SER A 131 -0.991 -7.616 11.305 1.00 0.28 C ATOM 2001 OG SER A 131 0.090 -8.124 10.566 1.00 -0.68 O ATOM 0 H SER A 131 0.577 -5.084 11.487 1.00 -0.73 H new ATOM 0 HA SER A 131 -1.347 -6.587 13.112 1.00 0.36 H new ATOM 0 HB2 SER A 131 -1.509 -8.440 11.797 1.00 0.28 H new ATOM 0 HB3 SER A 131 -1.705 -7.152 10.624 1.00 0.28 H new ATOM 0 HG SER A 131 -0.106 -8.052 9.608 1.00 -0.68 H new ATOM 2007 N SER A 132 0.829 -8.145 13.666 1.00 -0.73 N ATOM 2008 CA SER A 132 1.899 -8.602 14.548 1.00 0.36 C ATOM 2009 C SER A 132 2.291 -10.028 14.149 1.00 0.57 C ATOM 2010 O SER A 132 2.032 -10.972 14.895 1.00 -0.57 O ATOM 2011 CB SER A 132 1.445 -8.533 16.018 1.00 0.28 C ATOM 2012 OG SER A 132 1.332 -7.205 16.488 1.00 -0.68 O ATOM 0 H SER A 132 0.121 -8.861 13.507 1.00 -0.73 H new ATOM 0 HA SER A 132 2.770 -7.955 14.446 1.00 0.36 H new ATOM 0 HB2 SER A 132 0.483 -9.035 16.122 1.00 0.28 H new ATOM 0 HB3 SER A 132 2.156 -9.076 16.640 1.00 0.28 H new ATOM 0 HG SER A 132 1.040 -7.213 17.423 1.00 -0.68 H new ATOM 2018 N ASP A 133 2.885 -10.188 12.959 1.00 -0.73 N ATOM 2019 CA ASP A 133 3.323 -11.484 12.442 1.00 0.36 C ATOM 2020 C ASP A 133 4.744 -11.330 11.879 1.00 0.57 C ATOM 2021 O ASP A 133 5.041 -10.290 11.288 1.00 -0.57 O ATOM 2022 CB ASP A 133 2.365 -11.979 11.345 1.00 0.06 C ATOM 2023 CG ASP A 133 2.060 -13.470 11.477 1.00 0.66 C ATOM 2024 OD1 ASP A 133 2.617 -14.209 10.682 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 1.240 -13.854 12.451 1.00 -0.65 O ATOM 0 H ASP A 133 3.075 -9.412 12.325 1.00 -0.73 H new ATOM 0 HA ASP A 133 3.320 -12.220 13.246 1.00 0.36 H new ATOM 0 HB2 ASP A 133 1.435 -11.413 11.395 1.00 0.06 H new ATOM 0 HB3 ASP A 133 2.804 -11.785 10.366 1.00 0.06 H new ATOM 2031 N PRO A 134 5.630 -12.335 12.021 1.00 -0.66 N ATOM 2032 CA PRO A 134 7.013 -12.244 11.555 1.00 0.36 C ATOM 2033 C PRO A 134 7.141 -12.367 10.030 1.00 0.57 C ATOM 2034 O PRO A 134 8.188 -12.029 9.478 1.00 -0.57 O ATOM 2035 CB PRO A 134 7.751 -13.384 12.263 1.00 0.00 C ATOM 2036 CG PRO A 134 6.672 -14.424 12.558 1.00 0.00 C ATOM 2037 CD PRO A 134 5.377 -13.619 12.658 1.00 0.30 C ATOM 0 HA PRO A 134 7.433 -11.266 11.789 1.00 0.36 H new ATOM 0 HB2 PRO A 134 8.537 -13.798 11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 134 8.227 -13.037 13.180 1.00 0.00 H new ATOM 0 HG2 PRO A 134 6.614 -15.171 11.766 1.00 0.00 H new ATOM 0 HG3 PRO A 134 6.879 -14.958 13.485 1.00 0.00 H new ATOM 0 HD2 PRO A 134 4.558 -14.141 12.163 1.00 0.30 H new ATOM 0 HD3 PRO A 134 5.086 -13.483 13.700 1.00 0.30 H new ATOM 2045 N ASN A 135 6.084 -12.836 9.354 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.046 -13.095 7.914 1.00 0.36 C ATOM 2047 C ASN A 135 4.825 -12.394 7.300 1.00 0.57 C ATOM 2048 O ASN A 135 4.206 -12.896 6.352 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.125 -14.619 7.662 1.00 0.06 C ATOM 2050 CG ASN A 135 7.429 -14.992 6.966 1.00 0.57 C ATOM 2051 OD1 ASN A 135 8.415 -15.334 7.605 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 7.461 -14.925 5.641 1.00 -0.80 N ATOM 0 H ASN A 135 5.200 -13.053 9.815 1.00 -0.73 H new ATOM 0 HA ASN A 135 6.912 -12.670 7.406 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.049 -15.152 8.610 1.00 0.06 H new ATOM 0 HB3 ASN A 135 5.279 -14.934 7.051 1.00 0.06 H new ATOM 0 HD21 ASN A 135 8.317 -15.161 5.139 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 6.630 -14.638 5.125 1.00 -0.80 H new ATOM 2059 N ALA A 136 4.477 -11.240 7.886 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.459 -10.313 7.428 1.00 0.36 C ATOM 2061 C ALA A 136 4.087 -9.255 6.538 1.00 0.57 C ATOM 2062 O ALA A 136 5.158 -8.738 6.862 1.00 -0.57 O ATOM 2063 CB ALA A 136 2.850 -9.609 8.650 1.00 0.00 C ATOM 0 H ALA A 136 4.931 -10.919 8.741 1.00 -0.73 H new ATOM 0 HA ALA A 136 2.698 -10.860 6.872 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.082 -8.908 8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.404 -10.351 9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 136 3.631 -9.068 9.184 1.00 0.00 H new ATOM 2069 N VAL A 137 3.367 -8.836 5.493 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.761 -7.636 4.762 1.00 0.36 C ATOM 2071 C VAL A 137 3.581 -6.415 5.658 1.00 0.57 C ATOM 2072 O VAL A 137 4.349 -5.463 5.530 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.984 -7.467 3.447 1.00 0.00 C ATOM 2074 CG1 VAL A 137 3.131 -8.693 2.538 1.00 0.00 C ATOM 2075 CG2 VAL A 137 1.498 -7.189 3.661 1.00 0.00 C ATOM 0 H VAL A 137 2.528 -9.299 5.143 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.811 -7.740 4.489 1.00 0.36 H new ATOM 0 HB VAL A 137 3.429 -6.597 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 137 2.567 -8.534 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.183 -8.843 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.747 -9.575 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.005 -7.080 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.047 -8.018 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 137 1.379 -6.270 4.235 1.00 0.00 H new ATOM 2085 N MET A 138 2.588 -6.443 6.563 1.00 -0.73 N ATOM 2086 CA MET A 138 2.320 -5.369 7.509 1.00 0.36 C ATOM 2087 C MET A 138 3.473 -5.162 8.491 1.00 0.57 C ATOM 2088 O MET A 138 3.534 -4.080 9.057 1.00 -0.57 O ATOM 2089 CB MET A 138 1.010 -5.637 8.269 1.00 0.00 C ATOM 2090 CG MET A 138 -0.229 -4.933 7.693 1.00 0.23 C ATOM 2091 SD MET A 138 -0.744 -5.329 6.000 1.00 -0.46 S ATOM 2092 CE MET A 138 0.102 -4.047 5.029 1.00 0.23 C ATOM 0 H MET A 138 1.944 -7.229 6.652 1.00 -0.73 H new ATOM 0 HA MET A 138 2.217 -4.450 6.932 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.827 -6.711 8.280 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.138 -5.325 9.305 1.00 0.00 H new ATOM 0 HG2 MET A 138 -1.069 -5.148 8.353 1.00 0.23 H new ATOM 0 HG3 MET A 138 -0.052 -3.859 7.742 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.317 -4.017 4.023 1.00 0.23 H new ATOM 0 HE2 MET A 138 -0.035 -3.078 5.508 1.00 0.23 H new ATOM 0 HE3 MET A 138 1.166 -4.276 4.972 1.00 0.23 H new ATOM 2102 N TYR A 139 4.379 -6.132 8.684 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.501 -6.039 9.615 1.00 0.36 C ATOM 2104 C TYR A 139 6.272 -4.722 9.402 1.00 0.57 C ATOM 2105 O TYR A 139 6.915 -4.573 8.359 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.400 -7.267 9.418 1.00 0.14 C ATOM 2107 CG TYR A 139 7.630 -7.348 10.307 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.533 -7.172 11.701 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.877 -7.647 9.729 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 8.678 -7.279 12.513 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.025 -7.764 10.531 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.931 -7.585 11.929 1.00 0.08 C ATOM 2113 OH TYR A 139 11.053 -7.698 12.696 1.00 -0.53 O ATOM 0 H TYR A 139 4.347 -7.020 8.184 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.139 -6.029 10.643 1.00 0.36 H new ATOM 0 HB2 TYR A 139 5.799 -8.161 9.582 1.00 0.14 H new ATOM 0 HB3 TYR A 139 6.727 -7.289 8.378 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.575 -6.954 12.149 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 8.953 -7.788 8.661 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 8.601 -7.128 13.580 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 10.979 -7.991 10.079 1.00 -0.15 H new ATOM 0 HH TYR A 139 11.820 -7.913 12.125 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.212 -3.743 10.332 1.00 -0.66 N ATOM 2124 CA PRO A 140 6.772 -2.405 10.126 1.00 0.36 C ATOM 2125 C PRO A 140 8.313 -2.360 10.251 1.00 0.57 C ATOM 2126 O PRO A 140 8.875 -1.416 10.799 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.005 -1.487 11.094 1.00 0.00 C ATOM 2128 CG PRO A 140 5.485 -2.401 12.198 1.00 0.00 C ATOM 2129 CD PRO A 140 5.422 -3.786 11.560 1.00 0.30 C ATOM 0 HA PRO A 140 6.633 -2.059 9.102 1.00 0.36 H new ATOM 0 HB2 PRO A 140 6.657 -0.713 11.500 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.185 -0.979 10.586 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.148 -2.394 13.063 1.00 0.00 H new ATOM 0 HG3 PRO A 140 4.503 -2.081 12.547 1.00 0.00 H new ATOM 0 HD2 PRO A 140 5.815 -4.540 12.242 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.390 -4.061 11.342 1.00 0.30 H new ATOM 2137 N THR A 141 9.011 -3.383 9.748 1.00 -0.73 N ATOM 2138 CA THR A 141 10.464 -3.494 9.732 1.00 0.36 C ATOM 2139 C THR A 141 10.837 -4.327 8.501 1.00 0.57 C ATOM 2140 O THR A 141 10.250 -5.375 8.240 1.00 -0.57 O ATOM 2141 CB THR A 141 10.934 -4.108 11.069 1.00 0.28 C ATOM 2142 OG1 THR A 141 11.107 -3.069 12.016 1.00 -0.68 O ATOM 2143 CG2 THR A 141 12.260 -4.870 11.028 1.00 0.00 C ATOM 0 H THR A 141 8.554 -4.190 9.323 1.00 -0.73 H new ATOM 0 HA THR A 141 10.965 -2.529 9.650 1.00 0.36 H new ATOM 0 HB THR A 141 10.156 -4.828 11.323 1.00 0.28 H new ATOM 0 HG1 THR A 141 10.474 -2.345 11.827 1.00 -0.68 H new ATOM 0 HG21 THR A 141 12.489 -5.256 12.021 1.00 0.00 H new ATOM 0 HG22 THR A 141 12.181 -5.700 10.326 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.056 -4.198 10.708 1.00 0.00 H new ATOM 2151 N TYR A 142 11.816 -3.848 7.728 1.00 -0.73 N ATOM 2152 CA TYR A 142 12.295 -4.516 6.526 1.00 0.36 C ATOM 2153 C TYR A 142 13.286 -5.608 6.957 1.00 0.57 C ATOM 2154 O TYR A 142 14.417 -5.299 7.332 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.896 -3.455 5.581 1.00 0.14 C ATOM 2156 CG TYR A 142 12.847 -3.765 4.095 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 11.613 -4.054 3.481 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 14.006 -3.646 3.299 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 11.543 -4.209 2.089 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 13.937 -3.801 1.900 1.00 -0.15 C ATOM 2161 CZ TYR A 142 12.692 -4.065 1.285 1.00 0.08 C ATOM 2162 OH TYR A 142 12.579 -4.201 -0.069 1.00 -0.53 O ATOM 0 H TYR A 142 12.301 -2.973 7.927 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.498 -5.008 5.969 1.00 0.36 H new ATOM 0 HB2 TYR A 142 12.375 -2.513 5.750 1.00 0.14 H new ATOM 0 HB3 TYR A 142 13.937 -3.298 5.863 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.721 -4.156 4.082 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 14.956 -3.434 3.767 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 10.595 -4.442 1.626 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 14.831 -3.718 1.300 1.00 -0.15 H new ATOM 0 HH TYR A 142 11.684 -3.920 -0.352 1.00 -0.53 H new ATOM 2172 N GLY A 143 12.839 -6.872 6.977 1.00 -0.73 N ATOM 2173 CA GLY A 143 13.605 -7.986 7.536 1.00 0.36 C ATOM 2174 C GLY A 143 13.216 -9.334 6.922 1.00 0.57 C ATOM 2175 O GLY A 143 13.575 -9.606 5.776 1.00 -0.57 O ATOM 0 H GLY A 143 11.931 -7.147 6.603 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.668 -7.810 7.372 1.00 0.36 H new ATOM 0 HA3 GLY A 143 13.450 -8.024 8.614 1.00 0.36 H new ATOM 2179 N ASN A 144 12.530 -10.187 7.703 1.00 -0.73 N ATOM 2180 CA ASN A 144 12.187 -11.564 7.306 1.00 0.36 C ATOM 2181 C ASN A 144 11.205 -11.604 6.132 1.00 0.57 C ATOM 2182 O ASN A 144 11.306 -12.477 5.272 1.00 -0.57 O ATOM 2183 CB ASN A 144 11.571 -12.340 8.491 1.00 0.06 C ATOM 2184 CG ASN A 144 12.257 -13.688 8.703 1.00 0.57 C ATOM 2185 OD1 ASN A 144 12.316 -14.530 7.813 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 12.838 -13.900 9.877 1.00 -0.80 N ATOM 0 H ASN A 144 12.196 -9.938 8.634 1.00 -0.73 H new ATOM 0 HA ASN A 144 13.120 -12.033 6.994 1.00 0.36 H new ATOM 0 HB2 ASN A 144 11.654 -11.743 9.399 1.00 0.06 H new ATOM 0 HB3 ASN A 144 10.508 -12.498 8.309 1.00 0.06 H new ATOM 0 HD21 ASN A 144 13.341 -14.771 10.047 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 12.782 -13.192 10.609 1.00 -0.80 H new ATOM 2193 N GLY A 145 10.244 -10.672 6.124 1.00 -0.73 N ATOM 2194 CA GLY A 145 9.228 -10.530 5.091 1.00 0.36 C ATOM 2195 C GLY A 145 9.868 -10.223 3.742 1.00 0.57 C ATOM 2196 O GLY A 145 10.088 -9.050 3.442 1.00 -0.57 O ATOM 0 H GLY A 145 10.155 -9.976 6.864 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 8.643 -11.447 5.021 1.00 0.36 H new ATOM 0 HA3 GLY A 145 8.537 -9.731 5.361 1.00 0.36 H new ATOM 2200 N ASP A 146 10.173 -11.279 2.979 1.00 -0.73 N ATOM 2201 CA ASP A 146 10.862 -11.257 1.689 1.00 0.36 C ATOM 2202 C ASP A 146 10.157 -10.280 0.737 1.00 0.57 C ATOM 2203 O ASP A 146 8.994 -10.504 0.406 1.00 -0.57 O ATOM 2204 CB ASP A 146 10.915 -12.687 1.118 1.00 0.06 C ATOM 2205 CG ASP A 146 11.659 -12.816 -0.221 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.508 -11.966 -1.083 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 12.401 -13.902 -0.416 1.00 -0.65 O ATOM 0 H ASP A 146 9.930 -12.227 3.265 1.00 -0.73 H new ATOM 0 HA ASP A 146 11.886 -10.906 1.813 1.00 0.36 H new ATOM 0 HB2 ASP A 146 11.395 -13.338 1.849 1.00 0.06 H new ATOM 0 HB3 ASP A 146 9.895 -13.050 0.988 1.00 0.06 H new ATOM 2213 N PRO A 147 10.810 -9.185 0.312 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.218 -8.235 -0.613 1.00 0.36 C ATOM 2215 C PRO A 147 10.308 -8.679 -2.077 1.00 0.57 C ATOM 2216 O PRO A 147 9.503 -8.207 -2.880 1.00 -0.57 O ATOM 2217 CB PRO A 147 10.993 -6.938 -0.393 1.00 0.00 C ATOM 2218 CG PRO A 147 12.368 -7.400 0.089 1.00 0.00 C ATOM 2219 CD PRO A 147 12.091 -8.715 0.805 1.00 0.30 C ATOM 0 HA PRO A 147 9.150 -8.131 -0.422 1.00 0.36 H new ATOM 0 HB2 PRO A 147 11.068 -6.358 -1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 147 10.505 -6.303 0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.057 -7.538 -0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.821 -6.669 0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.877 -9.442 0.600 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.063 -8.571 1.885 1.00 0.30 H new ATOM 2227 N GLN A 148 11.257 -9.548 -2.454 1.00 -0.73 N ATOM 2228 CA GLN A 148 11.395 -10.013 -3.834 1.00 0.36 C ATOM 2229 C GLN A 148 10.221 -10.920 -4.215 1.00 0.57 C ATOM 2230 O GLN A 148 9.721 -10.820 -5.338 1.00 -0.57 O ATOM 2231 CB GLN A 148 12.715 -10.785 -4.044 1.00 0.00 C ATOM 2232 CG GLN A 148 13.996 -9.964 -3.820 1.00 0.06 C ATOM 2233 CD GLN A 148 14.640 -10.247 -2.462 1.00 0.57 C ATOM 2234 OE1 GLN A 148 14.172 -9.765 -1.442 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 15.721 -11.021 -2.418 1.00 -0.80 N ATOM 0 H GLN A 148 11.944 -9.944 -1.813 1.00 -0.73 H new ATOM 0 HA GLN A 148 11.401 -9.129 -4.472 1.00 0.36 H new ATOM 0 HB2 GLN A 148 12.728 -11.641 -3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 148 12.729 -11.180 -5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 148 14.711 -10.188 -4.612 1.00 0.06 H new ATOM 0 HG3 GLN A 148 13.761 -8.902 -3.893 1.00 0.06 H new ATOM 0 HE21 GLN A 148 16.100 -11.417 -3.278 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 16.170 -11.219 -1.524 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.778 -11.782 -3.293 1.00 -0.73 N ATOM 2245 CA ASN A 149 8.679 -12.720 -3.501 1.00 0.36 C ATOM 2246 C ASN A 149 7.848 -12.800 -2.222 1.00 0.57 C ATOM 2247 O ASN A 149 8.326 -13.221 -1.174 1.00 -0.57 O ATOM 2248 CB ASN A 149 9.178 -14.105 -3.973 1.00 0.06 C ATOM 2249 CG ASN A 149 10.043 -14.855 -2.957 1.00 0.57 C ATOM 2250 OD1 ASN A 149 9.589 -15.806 -2.332 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 11.288 -14.425 -2.804 1.00 -0.80 N ATOM 0 H ASN A 149 10.186 -11.845 -2.360 1.00 -0.73 H new ATOM 0 HA ASN A 149 8.043 -12.354 -4.308 1.00 0.36 H new ATOM 0 HB2 ASN A 149 8.314 -14.722 -4.220 1.00 0.06 H new ATOM 0 HB3 ASN A 149 9.750 -13.976 -4.892 1.00 0.06 H new ATOM 0 HD21 ASN A 149 11.911 -14.891 -2.144 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 11.623 -13.629 -3.346 1.00 -0.80 H new ATOM 2258 N PHE A 150 6.583 -12.383 -2.322 1.00 -0.73 N ATOM 2259 CA PHE A 150 5.667 -12.280 -1.189 1.00 0.36 C ATOM 2260 C PHE A 150 4.234 -12.573 -1.611 1.00 0.57 C ATOM 2261 O PHE A 150 3.587 -13.406 -0.983 1.00 -0.57 O ATOM 2262 CB PHE A 150 5.736 -10.872 -0.582 1.00 0.14 C ATOM 2263 CG PHE A 150 5.241 -9.739 -1.468 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.988 -9.310 -2.587 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.020 -9.105 -1.166 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.505 -8.270 -3.401 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.555 -8.051 -1.965 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.290 -7.635 -3.089 1.00 -0.15 C ATOM 0 H PHE A 150 6.162 -12.104 -3.208 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.971 -13.018 -0.447 1.00 0.36 H new ATOM 0 HB2 PHE A 150 5.154 -10.866 0.340 1.00 0.14 H new ATOM 0 HB3 PHE A 150 6.771 -10.667 -0.307 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.932 -9.781 -2.818 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 3.440 -9.432 -0.316 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.069 -7.958 -4.268 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 2.628 -7.556 -1.716 1.00 -0.15 H new ATOM 0 HZ PHE A 150 3.923 -6.831 -3.710 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.788 -11.918 -2.698 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.443 -11.959 -3.267 1.00 0.36 C ATOM 2280 C LYS A 151 1.351 -12.190 -2.215 1.00 0.57 C ATOM 2281 O LYS A 151 0.531 -13.081 -2.384 1.00 -0.57 O ATOM 2282 CB LYS A 151 2.358 -12.922 -4.463 1.00 0.00 C ATOM 2283 CG LYS A 151 2.700 -14.400 -4.181 1.00 0.00 C ATOM 2284 CD LYS A 151 4.205 -14.687 -4.235 1.00 0.00 C ATOM 2285 CE LYS A 151 4.455 -16.150 -4.587 1.00 0.50 C ATOM 2286 NZ LYS A 151 5.814 -16.323 -5.128 1.00 -0.85 N ATOM 0 H LYS A 151 4.405 -11.307 -3.233 1.00 -0.73 H new ATOM 0 HA LYS A 151 2.239 -10.964 -3.663 1.00 0.36 H new ATOM 0 HB2 LYS A 151 1.346 -12.877 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 151 3.029 -12.559 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 151 2.318 -14.674 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 151 2.189 -15.031 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 151 4.678 -14.042 -4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 151 4.661 -14.455 -3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 151 4.328 -16.771 -3.700 1.00 0.50 H new ATOM 0 HE3 LYS A 151 3.720 -16.485 -5.319 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 5.969 -17.324 -5.363 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 5.922 -15.745 -5.986 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 6.511 -16.022 -4.418 1.00 -0.85 H new ATOM 2300 N LEU A 152 1.357 -11.353 -1.169 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.441 -11.391 -0.036 1.00 0.36 C ATOM 2302 C LEU A 152 0.601 -12.705 0.759 1.00 0.57 C ATOM 2303 O LEU A 152 0.129 -13.762 0.358 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.007 -11.066 -0.474 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.211 -9.678 -1.142 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.093 -9.738 -2.666 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -2.591 -9.071 -0.845 1.00 0.00 C ATOM 0 H LEU A 152 2.037 -10.596 -1.092 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.703 -10.600 0.666 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.338 -11.836 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.654 -11.127 0.401 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.420 -9.062 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.244 -8.742 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.102 -10.100 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -1.849 -10.415 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -2.676 -8.102 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.369 -9.737 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -2.708 -8.943 0.231 1.00 0.00 H new ATOM 2319 N SER A 153 1.329 -12.648 1.887 1.00 -0.73 N ATOM 2320 CA SER A 153 1.836 -13.827 2.598 1.00 0.36 C ATOM 2321 C SER A 153 0.722 -14.635 3.295 1.00 0.57 C ATOM 2322 O SER A 153 0.266 -15.649 2.756 1.00 -0.57 O ATOM 2323 CB SER A 153 2.953 -13.355 3.550 1.00 0.28 C ATOM 2324 OG SER A 153 3.497 -14.380 4.363 1.00 -0.68 O ATOM 0 H SER A 153 1.584 -11.767 2.334 1.00 -0.73 H new ATOM 0 HA SER A 153 2.253 -14.540 1.887 1.00 0.36 H new ATOM 0 HB2 SER A 153 3.755 -12.912 2.959 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.558 -12.568 4.193 1.00 0.28 H new ATOM 0 HG SER A 153 3.567 -14.062 5.287 1.00 -0.68 H new ATOM 2330 N GLN A 154 0.297 -14.212 4.494 1.00 -0.73 N ATOM 2331 CA GLN A 154 -0.755 -14.845 5.298 1.00 0.36 C ATOM 2332 C GLN A 154 -1.533 -13.754 6.025 1.00 0.57 C ATOM 2333 O GLN A 154 -2.751 -13.738 5.950 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.162 -15.810 6.345 1.00 0.00 C ATOM 2335 CG GLN A 154 0.371 -17.125 5.760 1.00 0.06 C ATOM 2336 CD GLN A 154 1.473 -17.730 6.625 1.00 0.57 C ATOM 2337 OE1 GLN A 154 2.626 -17.328 6.528 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 1.163 -18.710 7.464 1.00 -0.80 N ATOM 0 H GLN A 154 0.693 -13.388 4.947 1.00 -0.73 H new ATOM 0 HA GLN A 154 -1.402 -15.416 4.632 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.648 -15.305 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -0.928 -16.039 7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -0.448 -17.838 5.665 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.755 -16.946 4.756 1.00 0.06 H new ATOM 0 HE21 GLN A 154 0.199 -19.035 7.535 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 1.889 -19.138 8.038 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.828 -12.826 6.677 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.357 -11.621 7.314 1.00 0.36 C ATOM 2349 C ASP A 155 -2.278 -10.817 6.395 1.00 0.57 C ATOM 2350 O ASP A 155 -3.391 -10.494 6.796 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.141 -10.817 7.784 1.00 0.06 C ATOM 2352 CG ASP A 155 -0.208 -9.305 7.578 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.462 -8.835 6.673 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 -0.864 -8.614 8.505 1.00 -0.65 O ATOM 0 H ASP A 155 0.184 -12.901 6.779 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.997 -11.883 8.157 1.00 0.36 H new ATOM 0 HB2 ASP A 155 0.008 -11.011 8.846 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.740 -11.194 7.265 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.858 -10.577 5.150 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.666 -9.900 4.136 1.00 0.36 C ATOM 2362 C ASP A 156 -3.986 -10.642 3.907 1.00 0.57 C ATOM 2363 O ASP A 156 -5.069 -10.064 4.023 1.00 -0.57 O ATOM 2364 CB ASP A 156 -1.895 -9.892 2.808 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.167 -8.601 2.460 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -1.592 -7.543 2.895 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -0.114 -8.742 1.661 1.00 -0.65 O ATOM 0 H ASP A 156 -0.935 -10.852 4.815 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.873 -8.887 4.481 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.165 -10.701 2.831 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.596 -10.117 2.004 1.00 0.06 H new ATOM 2373 N ILE A 157 -3.879 -11.945 3.600 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.013 -12.823 3.332 1.00 0.36 C ATOM 2375 C ILE A 157 -5.926 -12.844 4.561 1.00 0.57 C ATOM 2376 O ILE A 157 -7.140 -12.717 4.421 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.515 -14.241 2.912 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.365 -14.356 1.376 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.430 -15.389 3.384 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.035 -13.804 0.866 1.00 0.00 C ATOM 0 H ILE A 157 -2.979 -12.421 3.532 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.598 -12.448 2.493 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.549 -14.347 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.454 -15.403 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.183 -13.820 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.017 -16.342 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.495 -15.379 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.426 -15.258 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -2.988 -13.912 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -2.954 -12.749 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.213 -14.356 1.322 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.351 -12.988 5.759 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.067 -13.042 7.021 1.00 0.36 C ATOM 2394 C LYS A 158 -6.775 -11.710 7.259 1.00 0.57 C ATOM 2395 O LYS A 158 -7.920 -11.733 7.689 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.086 -13.381 8.166 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.800 -13.689 9.496 1.00 0.00 C ATOM 2398 CD LYS A 158 -4.880 -13.582 10.733 1.00 0.00 C ATOM 2399 CE LYS A 158 -4.231 -14.917 11.123 1.00 0.50 C ATOM 2400 NZ LYS A 158 -3.331 -14.811 12.303 1.00 -0.85 N ATOM 0 H LYS A 158 -4.341 -13.072 5.872 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.823 -13.827 6.990 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.481 -14.240 7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.403 -12.545 8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -6.638 -13.002 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.217 -14.695 9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -4.097 -12.850 10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -5.459 -13.207 11.577 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -5.014 -15.645 11.336 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -3.663 -15.299 10.275 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -2.925 -15.745 12.515 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -2.565 -14.139 12.096 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -3.873 -14.475 13.124 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.129 -10.572 6.976 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.703 -9.245 7.129 1.00 0.36 C ATOM 2416 C GLY A 159 -7.885 -9.057 6.188 1.00 0.57 C ATOM 2417 O GLY A 159 -8.970 -8.691 6.636 1.00 -0.57 O ATOM 0 H GLY A 159 -5.171 -10.557 6.627 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.026 -9.100 8.160 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.945 -8.490 6.923 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.718 -9.390 4.903 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.812 -9.363 3.936 1.00 0.36 C ATOM 2423 C ILE A 160 -9.945 -10.307 4.361 1.00 0.57 C ATOM 2424 O ILE A 160 -11.111 -9.900 4.365 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.255 -9.667 2.525 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.652 -8.395 1.895 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.300 -10.279 1.585 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.696 -7.358 1.444 1.00 0.00 C ATOM 0 H ILE A 160 -6.824 -9.684 4.509 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.256 -8.368 3.904 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.473 -10.415 2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.981 -7.929 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.046 -8.681 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.847 -10.469 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.663 -11.217 2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.134 -9.587 1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -8.189 -6.495 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.353 -7.804 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.287 -7.040 2.303 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.626 -11.548 4.751 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.639 -12.491 5.208 1.00 0.36 C ATOM 2442 C GLN A 161 -11.280 -12.052 6.531 1.00 0.57 C ATOM 2443 O GLN A 161 -12.402 -12.460 6.810 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.096 -13.926 5.337 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.321 -14.776 4.071 1.00 0.06 C ATOM 2446 CD GLN A 161 -10.352 -16.286 4.353 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -10.654 -16.744 5.450 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -10.045 -17.110 3.361 1.00 -0.80 N ATOM 0 H GLN A 161 -8.675 -11.916 4.757 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.408 -12.492 4.436 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.029 -13.886 5.555 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.576 -14.414 6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -11.261 -14.481 3.605 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.529 -14.563 3.353 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -9.793 -16.735 2.446 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -10.061 -18.119 3.512 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.606 -11.236 7.344 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.174 -10.668 8.562 1.00 0.36 C ATOM 2459 C LYS A 162 -12.079 -9.472 8.230 1.00 0.57 C ATOM 2460 O LYS A 162 -13.059 -9.258 8.940 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.019 -10.267 9.496 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.451 -9.901 10.921 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.374 -11.064 11.922 1.00 0.00 C ATOM 2464 CE LYS A 162 -8.948 -11.247 12.466 1.00 0.50 C ATOM 2465 NZ LYS A 162 -8.212 -12.341 11.809 1.00 -0.85 N ATOM 0 H LYS A 162 -9.642 -10.950 7.171 1.00 -0.73 H new ATOM 0 HA LYS A 162 -11.799 -11.405 9.066 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.307 -11.090 9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.494 -9.417 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -9.824 -9.085 11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.475 -9.528 10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -11.059 -10.879 12.749 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -10.700 -11.984 11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -8.395 -10.317 12.337 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -8.997 -11.443 13.537 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -8.118 -13.141 12.467 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -8.731 -12.649 10.962 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -7.267 -12.007 11.533 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.764 -8.689 7.188 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.574 -7.545 6.766 1.00 0.36 C ATOM 2481 C LEU A 163 -13.816 -7.966 5.962 1.00 0.57 C ATOM 2482 O LEU A 163 -14.871 -7.365 6.153 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.746 -6.572 5.904 1.00 0.00 C ATOM 2484 CG LEU A 163 -11.268 -5.294 6.610 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -10.151 -5.564 7.622 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -10.794 -4.300 5.540 1.00 0.00 C ATOM 0 H LEU A 163 -10.934 -8.836 6.613 1.00 -0.73 H new ATOM 0 HA LEU A 163 -12.901 -7.055 7.683 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -10.873 -7.104 5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.343 -6.285 5.039 1.00 0.00 H new ATOM 0 HG LEU A 163 -12.101 -4.880 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -9.851 -4.627 8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -10.511 -6.254 8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -9.295 -6.004 7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -10.450 -3.384 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -9.975 -4.741 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -11.620 -4.068 4.867 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.679 -8.935 5.045 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.716 -9.278 4.059 1.00 0.36 C ATOM 2500 C TYR A 164 -15.005 -10.772 3.987 1.00 0.57 C ATOM 2501 O TYR A 164 -16.110 -11.154 3.591 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.280 -8.913 2.633 1.00 0.14 C ATOM 2503 CG TYR A 164 -13.955 -7.474 2.319 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.690 -6.962 2.659 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -14.840 -6.709 1.538 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.310 -5.679 2.232 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.453 -5.444 1.068 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.183 -4.927 1.416 1.00 0.08 C ATOM 2509 OH TYR A 164 -12.793 -3.705 0.962 1.00 -0.53 O ATOM 0 H TYR A 164 -12.839 -9.508 4.966 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.590 -8.720 4.394 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -13.400 -9.510 2.394 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -15.073 -9.228 1.955 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.009 -7.557 3.250 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -15.820 -7.096 1.299 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.355 -5.270 2.526 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.121 -4.869 0.444 1.00 -0.15 H new ATOM 0 HH TYR A 164 -13.506 -3.317 0.413 1.00 -0.53 H new