USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 796 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 102 MET CE :methyl 155:sc= -0.377 (180deg=-0.913) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= -4.22! C(o=-5.6!,f=-7.7!) USER MOD Set 2.2: A 73 TYR OH : rot 111:sc= 0.204 USER MOD Set 2.3: A 90 MET CE :methyl -179:sc= -1.61 (180deg=-1.61) USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 32 ASN : amide:sc= -4.15! C(o=-4.1!,f=-4.2!) USER MOD Single : A 12 GLN : amide:sc= -0.0652 K(o=-0.065,f=-0.75) USER MOD Single : A 13 SER OG : rot 180:sc= -0.248 USER MOD Single : A 18 CYS SG : rot 163:sc= -2.85! USER MOD Single : A 19 LYS NZ :NH3+ -145:sc= -0.108 (180deg=-1.46!) USER MOD Single : A 22 THR OG1 : rot -52:sc= 0.895 USER MOD Single : A 29 LYS NZ :NH3+ 169:sc=-0.00785 (180deg=-0.15) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0942 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0366 USER MOD Single : A 36 SER OG : rot 120:sc= -0.377 USER MOD Single : A 39 ASN : amide:sc=-0.00539! C(o=-0.0054!,f=-8.3!) USER MOD Single : A 42 SER OG : rot 160:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.919 USER MOD Single : A 48 HIS : no HD1:sc= -5.42! K(o=-5.4!,f=-4.6) USER MOD Single : A 49 HIS : no HD1:sc= -2.59! K(o=-2.6!,f=-1.6) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -117:sc= -0.151 (180deg=-1.46!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.67! C(o=-3.7!,f=-3.1!) USER MOD Single : A 63 GLN : amide:sc= -12.9! C(o=-13!,f=-18!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.162 K(o=0.16,f=-2.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= -0.813 (180deg=-1.03) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.152 USER MOD Single : A 98 LYS NZ :NH3+ -124:sc= -0.0675 (180deg=-1.09) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0371 USER MOD Single : A 103 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 104 TYR OH : rot -137:sc= 0.0169 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HE2:sc= -5.25! K(o=-5.3!,f=-3.5) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 11.502 0.934 -9.196 1.00 0.00 N ATOM 116 CA GLN A 12 10.799 -0.052 -10.008 1.00 0.00 C ATOM 117 C GLN A 12 10.482 -1.302 -9.194 1.00 0.00 C ATOM 118 O GLN A 12 9.339 -1.758 -9.157 1.00 0.00 O ATOM 119 CB GLN A 12 11.636 -0.426 -11.233 1.00 0.00 C ATOM 120 CG GLN A 12 10.826 -1.056 -12.354 1.00 0.00 C ATOM 121 CD GLN A 12 10.185 -0.026 -13.262 1.00 0.00 C ATOM 122 OE1 GLN A 12 10.793 0.995 -13.588 1.00 0.00 O ATOM 123 NE2 GLN A 12 8.951 -0.287 -13.677 1.00 0.00 N ATOM 0 HA GLN A 12 9.860 0.391 -10.340 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.130 0.469 -11.612 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.420 -1.119 -10.929 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.474 -1.703 -12.946 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.050 -1.689 -11.924 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.485 -1.145 -13.382 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.469 0.370 -14.290 1.00 0.00 H new ATOM 132 N SER A 13 11.501 -1.853 -8.543 1.00 0.00 N ATOM 133 CA SER A 13 11.332 -3.053 -7.732 1.00 0.00 C ATOM 134 C SER A 13 10.023 -3.000 -6.951 1.00 0.00 C ATOM 135 O SER A 13 9.248 -3.958 -6.950 1.00 0.00 O ATOM 136 CB SER A 13 12.509 -3.212 -6.767 1.00 0.00 C ATOM 137 OG SER A 13 12.430 -2.275 -5.708 1.00 0.00 O ATOM 0 H SER A 13 12.453 -1.487 -8.561 1.00 0.00 H new ATOM 0 HA SER A 13 11.301 -3.913 -8.401 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.517 -4.224 -6.362 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.446 -3.077 -7.307 1.00 0.00 H new ATOM 0 HG SER A 13 13.192 -2.398 -5.105 1.00 0.00 H new ATOM 143 N LEU A 14 9.782 -1.875 -6.287 1.00 0.00 N ATOM 144 CA LEU A 14 8.567 -1.696 -5.500 1.00 0.00 C ATOM 145 C LEU A 14 7.374 -1.394 -6.402 1.00 0.00 C ATOM 146 O LEU A 14 6.420 -2.169 -6.468 1.00 0.00 O ATOM 147 CB LEU A 14 8.754 -0.566 -4.487 1.00 0.00 C ATOM 148 CG LEU A 14 7.476 -0.014 -3.853 1.00 0.00 C ATOM 149 CD1 LEU A 14 6.928 -0.989 -2.822 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.738 1.344 -3.219 1.00 0.00 C ATOM 0 H LEU A 14 10.412 -1.073 -6.278 1.00 0.00 H new ATOM 0 HA LEU A 14 8.369 -2.625 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.406 -0.924 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.275 0.255 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 14 6.729 0.112 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.019 -0.580 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.701 -1.940 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.671 -1.147 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.818 1.721 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.501 1.244 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.084 2.041 -3.982 1.00 0.00 H new ATOM 162 N LEU A 15 7.437 -0.263 -7.097 1.00 0.00 N ATOM 163 CA LEU A 15 6.363 0.141 -7.998 1.00 0.00 C ATOM 164 C LEU A 15 5.770 -1.068 -8.716 1.00 0.00 C ATOM 165 O LEU A 15 4.567 -1.125 -8.967 1.00 0.00 O ATOM 166 CB LEU A 15 6.883 1.152 -9.021 1.00 0.00 C ATOM 167 CG LEU A 15 5.819 1.952 -9.774 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.452 3.210 -9.003 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.307 2.304 -11.172 1.00 0.00 C ATOM 0 H LEU A 15 8.220 0.390 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 15 5.578 0.607 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.540 1.853 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.493 0.620 -9.751 1.00 0.00 H new ATOM 0 HG LEU A 15 4.926 1.335 -9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.694 3.766 -9.554 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.060 2.935 -8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.339 3.832 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.537 2.873 -11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.215 2.903 -11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.519 1.389 -11.725 1.00 0.00 H new ATOM 181 N VAL A 16 6.624 -2.033 -9.042 1.00 0.00 N ATOM 182 CA VAL A 16 6.185 -3.242 -9.727 1.00 0.00 C ATOM 183 C VAL A 16 5.410 -4.158 -8.786 1.00 0.00 C ATOM 184 O VAL A 16 4.279 -4.548 -9.074 1.00 0.00 O ATOM 185 CB VAL A 16 7.378 -4.019 -10.315 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.901 -5.284 -11.013 1.00 0.00 C ATOM 187 CG2 VAL A 16 8.168 -3.138 -11.270 1.00 0.00 C ATOM 0 H VAL A 16 7.624 -2.001 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 16 5.531 -2.925 -10.540 1.00 0.00 H new ATOM 0 HB VAL A 16 8.037 -4.312 -9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.758 -5.819 -11.422 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.383 -5.922 -10.297 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.220 -5.019 -11.821 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.007 -3.703 -11.676 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.521 -2.813 -12.085 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.543 -2.266 -10.735 1.00 0.00 H new ATOM 197 N TRP A 17 6.027 -4.496 -7.659 1.00 0.00 N ATOM 198 CA TRP A 17 5.395 -5.366 -6.674 1.00 0.00 C ATOM 199 C TRP A 17 3.892 -5.114 -6.609 1.00 0.00 C ATOM 200 O TRP A 17 3.092 -6.043 -6.729 1.00 0.00 O ATOM 201 CB TRP A 17 6.020 -5.149 -5.295 1.00 0.00 C ATOM 202 CG TRP A 17 5.666 -6.218 -4.307 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.160 -7.491 -4.264 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.741 -6.108 -3.220 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.597 -8.178 -3.216 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.724 -7.352 -2.560 1.00 0.00 C ATOM 207 CE3 TRP A 17 3.927 -5.079 -2.739 1.00 0.00 C ATOM 208 CZ2 TRP A 17 3.923 -7.592 -1.446 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.133 -5.319 -1.634 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.136 -6.567 -0.997 1.00 0.00 C ATOM 0 H TRP A 17 6.963 -4.181 -7.405 1.00 0.00 H new ATOM 0 HA TRP A 17 5.559 -6.399 -6.981 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.104 -5.105 -5.398 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.697 -4.183 -4.906 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.886 -7.897 -4.952 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.797 -9.147 -2.967 1.00 0.00 H new ATOM 0 HE3 TRP A 17 3.919 -4.113 -3.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.923 -8.553 -0.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.499 -4.531 -1.255 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.505 -6.723 -0.135 1.00 0.00 H new ATOM 221 N CYS A 18 3.516 -3.854 -6.420 1.00 0.00 N ATOM 222 CA CYS A 18 2.108 -3.481 -6.339 1.00 0.00 C ATOM 223 C CYS A 18 1.401 -3.738 -7.666 1.00 0.00 C ATOM 224 O CYS A 18 0.490 -4.562 -7.747 1.00 0.00 O ATOM 225 CB CYS A 18 1.971 -2.008 -5.951 1.00 0.00 C ATOM 226 SG CYS A 18 0.348 -1.567 -5.290 1.00 0.00 S ATOM 0 H CYS A 18 4.166 -3.074 -6.320 1.00 0.00 H new ATOM 0 HA CYS A 18 1.638 -4.096 -5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.732 -1.767 -5.208 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.174 -1.392 -6.827 1.00 0.00 H new ATOM 0 HG CYS A 18 0.428 -0.429 -4.667 1.00 0.00 H new ATOM 232 N LYS A 19 1.824 -3.025 -8.704 1.00 0.00 N ATOM 233 CA LYS A 19 1.232 -3.175 -10.028 1.00 0.00 C ATOM 234 C LYS A 19 1.143 -4.646 -10.422 1.00 0.00 C ATOM 235 O LYS A 19 0.350 -5.019 -11.285 1.00 0.00 O ATOM 236 CB LYS A 19 2.053 -2.407 -11.066 1.00 0.00 C ATOM 237 CG LYS A 19 2.022 -0.901 -10.873 1.00 0.00 C ATOM 238 CD LYS A 19 3.038 -0.203 -11.763 1.00 0.00 C ATOM 239 CE LYS A 19 2.466 0.084 -13.142 1.00 0.00 C ATOM 240 NZ LYS A 19 2.500 -1.119 -14.019 1.00 0.00 N ATOM 0 H LYS A 19 2.575 -2.337 -8.654 1.00 0.00 H new ATOM 0 HA LYS A 19 0.223 -2.765 -9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.087 -2.749 -11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.678 -2.645 -12.062 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.023 -0.525 -11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.227 -0.663 -9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.351 0.731 -11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.928 -0.826 -11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.438 0.432 -13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.032 0.890 -13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.686 -0.828 -15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.253 -1.761 -13.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.584 -1.609 -13.971 1.00 0.00 H new ATOM 254 N GLU A 20 1.962 -5.475 -9.782 1.00 0.00 N ATOM 255 CA GLU A 20 1.974 -6.906 -10.066 1.00 0.00 C ATOM 256 C GLU A 20 0.779 -7.599 -9.419 1.00 0.00 C ATOM 257 O GLU A 20 -0.071 -8.167 -10.106 1.00 0.00 O ATOM 258 CB GLU A 20 3.275 -7.536 -9.567 1.00 0.00 C ATOM 259 CG GLU A 20 3.650 -8.816 -10.295 1.00 0.00 C ATOM 260 CD GLU A 20 5.149 -9.041 -10.347 1.00 0.00 C ATOM 261 OE1 GLU A 20 5.865 -8.151 -10.851 1.00 0.00 O ATOM 262 OE2 GLU A 20 5.605 -10.106 -9.882 1.00 0.00 O ATOM 0 H GLU A 20 2.625 -5.181 -9.065 1.00 0.00 H new ATOM 0 HA GLU A 20 1.906 -7.037 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.084 -6.814 -9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.181 -7.748 -8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.176 -9.663 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.256 -8.780 -11.311 1.00 0.00 H new ATOM 269 N VAL A 21 0.720 -7.549 -8.092 1.00 0.00 N ATOM 270 CA VAL A 21 -0.371 -8.171 -7.351 1.00 0.00 C ATOM 271 C VAL A 21 -1.703 -7.503 -7.670 1.00 0.00 C ATOM 272 O VAL A 21 -2.769 -8.081 -7.452 1.00 0.00 O ATOM 273 CB VAL A 21 -0.126 -8.104 -5.831 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.310 -8.483 -5.504 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.455 -6.718 -5.299 1.00 0.00 C ATOM 0 H VAL A 21 1.415 -7.084 -7.508 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.409 -9.216 -7.660 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.786 -8.821 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.464 -8.430 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.506 -9.498 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.991 -7.793 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.276 -6.689 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.177 -5.979 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.502 -6.491 -5.499 1.00 0.00 H new ATOM 285 N THR A 22 -1.637 -6.280 -8.188 1.00 0.00 N ATOM 286 CA THR A 22 -2.838 -5.532 -8.537 1.00 0.00 C ATOM 287 C THR A 22 -3.039 -5.488 -10.047 1.00 0.00 C ATOM 288 O THR A 22 -3.650 -4.559 -10.576 1.00 0.00 O ATOM 289 CB THR A 22 -2.779 -4.091 -7.996 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.667 -3.396 -8.571 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.657 -4.087 -6.479 1.00 0.00 C ATOM 0 H THR A 22 -0.764 -5.787 -8.375 1.00 0.00 H new ATOM 0 HA THR A 22 -3.679 -6.051 -8.077 1.00 0.00 H new ATOM 0 HB THR A 22 -3.704 -3.585 -8.272 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.852 -3.927 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.617 -3.059 -6.120 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.520 -4.590 -6.043 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.746 -4.609 -6.186 1.00 0.00 H new ATOM 387 N VAL A 28 -6.329 0.418 -10.490 1.00 0.00 N ATOM 388 CA VAL A 28 -5.015 0.302 -9.869 1.00 0.00 C ATOM 389 C VAL A 28 -3.904 0.422 -10.906 1.00 0.00 C ATOM 390 O VAL A 28 -3.764 -0.429 -11.784 1.00 0.00 O ATOM 391 CB VAL A 28 -4.863 -1.037 -9.122 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.637 -1.011 -8.223 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.118 -1.343 -8.318 1.00 0.00 C ATOM 0 HA VAL A 28 -4.930 1.120 -9.154 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.727 -1.830 -9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.546 -1.965 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.746 -0.841 -8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.739 -0.209 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.994 -2.292 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.287 -0.549 -7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.974 -1.408 -8.990 1.00 0.00 H new ATOM 403 N LYS A 29 -3.114 1.485 -10.798 1.00 0.00 N ATOM 404 CA LYS A 29 -2.013 1.717 -11.724 1.00 0.00 C ATOM 405 C LYS A 29 -0.735 2.076 -10.972 1.00 0.00 C ATOM 406 O LYS A 29 0.365 1.715 -11.391 1.00 0.00 O ATOM 407 CB LYS A 29 -2.371 2.837 -12.705 1.00 0.00 C ATOM 408 CG LYS A 29 -3.115 2.351 -13.937 1.00 0.00 C ATOM 409 CD LYS A 29 -3.876 3.481 -14.610 1.00 0.00 C ATOM 410 CE LYS A 29 -2.936 4.568 -15.107 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.015 4.065 -16.163 1.00 0.00 N ATOM 0 H LYS A 29 -3.216 2.200 -10.078 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.840 0.796 -12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.983 3.578 -12.190 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.456 3.341 -13.018 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.407 1.917 -14.643 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.810 1.560 -13.655 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.451 3.086 -15.447 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.590 3.910 -13.907 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.519 5.400 -15.500 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.353 4.954 -14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.523 4.867 -16.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.317 3.422 -15.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.561 3.553 -16.885 1.00 0.00 H new ATOM 425 N ILE A 30 -0.888 2.786 -9.860 1.00 0.00 N ATOM 426 CA ILE A 30 0.253 3.191 -9.049 1.00 0.00 C ATOM 427 C ILE A 30 1.209 4.073 -9.845 1.00 0.00 C ATOM 428 O ILE A 30 2.414 3.825 -9.884 1.00 0.00 O ATOM 429 CB ILE A 30 1.024 1.970 -8.514 1.00 0.00 C ATOM 430 CG1 ILE A 30 0.092 1.062 -7.710 1.00 0.00 C ATOM 431 CG2 ILE A 30 2.201 2.419 -7.661 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.588 0.001 -8.546 1.00 0.00 C ATOM 0 H ILE A 30 -1.792 3.093 -9.500 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.144 3.758 -8.207 1.00 0.00 H new ATOM 0 HB ILE A 30 1.410 1.403 -9.361 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.664 0.578 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.669 1.674 -7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.736 1.545 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.875 3.029 -8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.836 3.006 -6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.233 -0.605 -7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.187 0.478 -9.322 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.166 -0.635 -9.010 1.00 0.00 H new ATOM 444 N THR A 31 0.662 5.105 -10.480 1.00 0.00 N ATOM 445 CA THR A 31 1.466 6.025 -11.275 1.00 0.00 C ATOM 446 C THR A 31 2.366 6.877 -10.388 1.00 0.00 C ATOM 447 O THR A 31 3.420 7.342 -10.821 1.00 0.00 O ATOM 448 CB THR A 31 0.579 6.953 -12.127 1.00 0.00 C ATOM 449 OG1 THR A 31 1.392 7.903 -12.824 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.433 7.684 -11.258 1.00 0.00 C ATOM 0 H THR A 31 -0.334 5.324 -10.459 1.00 0.00 H new ATOM 0 HA THR A 31 2.083 5.416 -11.935 1.00 0.00 H new ATOM 0 HB THR A 31 0.038 6.340 -12.848 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.821 8.488 -13.364 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.047 8.333 -11.882 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.070 6.958 -10.752 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.092 8.286 -10.516 1.00 0.00 H new ATOM 458 N ASN A 32 1.945 7.077 -9.143 1.00 0.00 N ATOM 459 CA ASN A 32 2.714 7.874 -8.194 1.00 0.00 C ATOM 460 C ASN A 32 2.623 7.285 -6.790 1.00 0.00 C ATOM 461 O ASN A 32 1.793 6.416 -6.522 1.00 0.00 O ATOM 462 CB ASN A 32 2.214 9.320 -8.187 1.00 0.00 C ATOM 463 CG ASN A 32 1.798 9.795 -9.565 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.586 9.758 -10.511 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.554 10.245 -9.685 1.00 0.00 N ATOM 0 H ASN A 32 1.075 6.698 -8.768 1.00 0.00 H new ATOM 0 HA ASN A 32 3.758 7.860 -8.507 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.368 9.405 -7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.999 9.971 -7.803 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.217 10.578 -10.588 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.064 10.257 -8.874 1.00 0.00 H new ATOM 472 N PHE A 33 3.482 7.764 -5.896 1.00 0.00 N ATOM 473 CA PHE A 33 3.499 7.285 -4.519 1.00 0.00 C ATOM 474 C PHE A 33 3.038 8.377 -3.558 1.00 0.00 C ATOM 475 O PHE A 33 3.543 8.491 -2.441 1.00 0.00 O ATOM 476 CB PHE A 33 4.905 6.815 -4.138 1.00 0.00 C ATOM 477 CG PHE A 33 5.240 5.446 -4.657 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.654 4.318 -4.104 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.139 5.286 -5.698 1.00 0.00 C ATOM 480 CE1 PHE A 33 4.962 3.057 -4.579 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.450 4.028 -6.178 1.00 0.00 C ATOM 482 CZ PHE A 33 5.860 2.912 -5.618 1.00 0.00 C ATOM 0 H PHE A 33 4.175 8.484 -6.101 1.00 0.00 H new ATOM 0 HA PHE A 33 2.809 6.444 -4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.634 7.529 -4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.998 6.816 -3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.949 4.426 -3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.603 6.155 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.501 2.186 -4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.154 3.918 -6.990 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.100 1.928 -5.992 1.00 0.00 H new ATOM 492 N THR A 34 2.075 9.179 -4.001 1.00 0.00 N ATOM 493 CA THR A 34 1.546 10.263 -3.183 1.00 0.00 C ATOM 494 C THR A 34 0.023 10.236 -3.152 1.00 0.00 C ATOM 495 O THR A 34 -0.583 9.922 -2.127 1.00 0.00 O ATOM 496 CB THR A 34 2.013 11.637 -3.700 1.00 0.00 C ATOM 497 OG1 THR A 34 1.742 11.751 -5.101 1.00 0.00 O ATOM 498 CG2 THR A 34 3.501 11.832 -3.449 1.00 0.00 C ATOM 0 H THR A 34 1.645 9.098 -4.923 1.00 0.00 H new ATOM 0 HA THR A 34 1.930 10.113 -2.174 1.00 0.00 H new ATOM 0 HB THR A 34 1.465 12.409 -3.160 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.040 12.628 -5.422 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.808 12.809 -3.822 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.700 11.773 -2.379 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.062 11.053 -3.966 1.00 0.00 H new ATOM 506 N THR A 35 -0.594 10.566 -4.283 1.00 0.00 N ATOM 507 CA THR A 35 -2.047 10.579 -4.386 1.00 0.00 C ATOM 508 C THR A 35 -2.593 9.182 -4.655 1.00 0.00 C ATOM 509 O THR A 35 -3.584 8.766 -4.055 1.00 0.00 O ATOM 510 CB THR A 35 -2.523 11.528 -5.502 1.00 0.00 C ATOM 511 OG1 THR A 35 -2.027 11.080 -6.769 1.00 0.00 O ATOM 512 CG2 THR A 35 -2.052 12.950 -5.241 1.00 0.00 C ATOM 0 H THR A 35 -0.108 10.828 -5.141 1.00 0.00 H new ATOM 0 HA THR A 35 -2.428 10.936 -3.429 1.00 0.00 H new ATOM 0 HB THR A 35 -3.613 11.521 -5.515 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.335 11.687 -7.474 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.400 13.602 -6.042 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.455 13.298 -4.290 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.963 12.971 -5.204 1.00 0.00 H new ATOM 520 N SER A 36 -1.939 8.460 -5.559 1.00 0.00 N ATOM 521 CA SER A 36 -2.360 7.109 -5.910 1.00 0.00 C ATOM 522 C SER A 36 -2.682 6.298 -4.658 1.00 0.00 C ATOM 523 O SER A 36 -3.513 5.391 -4.690 1.00 0.00 O ATOM 524 CB SER A 36 -1.270 6.406 -6.721 1.00 0.00 C ATOM 525 OG SER A 36 -1.776 5.246 -7.358 1.00 0.00 O ATOM 0 H SER A 36 -1.115 8.788 -6.062 1.00 0.00 H new ATOM 0 HA SER A 36 -3.263 7.183 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.871 7.091 -7.469 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.443 6.133 -6.065 1.00 0.00 H new ATOM 0 HG SER A 36 -1.673 5.334 -8.329 1.00 0.00 H new ATOM 531 N TRP A 37 -2.018 6.633 -3.558 1.00 0.00 N ATOM 532 CA TRP A 37 -2.233 5.936 -2.295 1.00 0.00 C ATOM 533 C TRP A 37 -3.061 6.786 -1.338 1.00 0.00 C ATOM 534 O TRP A 37 -3.761 6.260 -0.472 1.00 0.00 O ATOM 535 CB TRP A 37 -0.892 5.581 -1.650 1.00 0.00 C ATOM 536 CG TRP A 37 0.032 4.841 -2.570 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.818 5.378 -3.548 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.263 3.428 -2.597 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.524 4.384 -4.183 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.202 3.179 -3.617 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.230 2.350 -1.858 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.654 1.897 -3.915 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.220 1.077 -2.155 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.155 0.859 -3.175 1.00 0.00 C ATOM 0 H TRP A 37 -1.327 7.382 -3.515 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.782 5.018 -2.505 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.404 6.497 -1.316 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.073 4.974 -0.763 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.877 6.429 -3.788 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.181 4.521 -4.951 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.950 2.508 -1.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.373 1.727 -4.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.156 0.236 -1.591 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.489 -0.147 -3.382 1.00 0.00 H new ATOM 555 N ARG A 38 -2.979 8.103 -1.500 1.00 0.00 N ATOM 556 CA ARG A 38 -3.720 9.026 -0.650 1.00 0.00 C ATOM 557 C ARG A 38 -5.077 8.441 -0.266 1.00 0.00 C ATOM 558 O ARG A 38 -5.438 8.405 0.909 1.00 0.00 O ATOM 559 CB ARG A 38 -3.914 10.366 -1.362 1.00 0.00 C ATOM 560 CG ARG A 38 -4.953 11.260 -0.705 1.00 0.00 C ATOM 561 CD ARG A 38 -4.799 12.708 -1.143 1.00 0.00 C ATOM 562 NE ARG A 38 -5.589 13.006 -2.335 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.871 13.351 -2.299 1.00 0.00 C ATOM 564 NH1 ARG A 38 -7.505 13.441 -1.138 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.522 13.608 -3.426 1.00 0.00 N ATOM 0 H ARG A 38 -2.406 8.554 -2.213 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.141 9.186 0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.960 10.893 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.208 10.180 -2.395 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.952 10.906 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.858 11.194 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.106 13.367 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.748 12.916 -1.343 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.131 12.946 -3.244 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.008 13.245 -0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.490 13.706 -1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.038 13.541 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.507 13.873 -3.397 1.00 0.00 H new ATOM 579 N ASN A 39 -5.822 7.983 -1.267 1.00 0.00 N ATOM 580 CA ASN A 39 -7.139 7.401 -1.034 1.00 0.00 C ATOM 581 C ASN A 39 -7.032 6.134 -0.192 1.00 0.00 C ATOM 582 O ASN A 39 -7.693 6.003 0.838 1.00 0.00 O ATOM 583 CB ASN A 39 -7.822 7.085 -2.366 1.00 0.00 C ATOM 584 CG ASN A 39 -6.834 6.670 -3.439 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.692 6.316 -3.143 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.269 6.712 -4.693 1.00 0.00 N ATOM 0 H ASN A 39 -5.537 8.004 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.740 8.129 -0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.549 6.287 -2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.375 7.961 -2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.649 6.444 -5.457 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.223 7.012 -4.892 1.00 0.00 H new ATOM 593 N GLY A 40 -6.195 5.202 -0.637 1.00 0.00 N ATOM 594 CA GLY A 40 -6.016 3.958 0.088 1.00 0.00 C ATOM 595 C GLY A 40 -6.558 2.762 -0.670 1.00 0.00 C ATOM 596 O GLY A 40 -7.186 1.879 -0.085 1.00 0.00 O ATOM 0 H GLY A 40 -5.638 5.286 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.955 3.807 0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.516 4.029 1.054 1.00 0.00 H new ATOM 600 N LEU A 41 -6.317 2.733 -1.976 1.00 0.00 N ATOM 601 CA LEU A 41 -6.787 1.637 -2.817 1.00 0.00 C ATOM 602 C LEU A 41 -5.690 0.598 -3.022 1.00 0.00 C ATOM 603 O LEU A 41 -5.898 -0.593 -2.793 1.00 0.00 O ATOM 604 CB LEU A 41 -7.258 2.172 -4.170 1.00 0.00 C ATOM 605 CG LEU A 41 -8.523 3.031 -4.149 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.814 3.587 -5.535 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.707 2.223 -3.637 1.00 0.00 C ATOM 0 H LEU A 41 -5.799 3.456 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.625 1.158 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.451 2.760 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.430 1.324 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.359 3.869 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.718 4.196 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.976 4.201 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.958 2.764 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.599 2.850 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.872 1.366 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.499 1.874 -2.625 1.00 0.00 H new ATOM 619 N SER A 42 -4.519 1.059 -3.452 1.00 0.00 N ATOM 620 CA SER A 42 -3.388 0.169 -3.689 1.00 0.00 C ATOM 621 C SER A 42 -3.000 -0.569 -2.411 1.00 0.00 C ATOM 622 O SER A 42 -2.554 -1.716 -2.454 1.00 0.00 O ATOM 623 CB SER A 42 -2.191 0.962 -4.217 1.00 0.00 C ATOM 624 OG SER A 42 -2.535 1.687 -5.385 1.00 0.00 O ATOM 0 H SER A 42 -4.329 2.043 -3.643 1.00 0.00 H new ATOM 0 HA SER A 42 -3.686 -0.567 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.839 1.650 -3.448 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.368 0.282 -4.437 1.00 0.00 H new ATOM 0 HG SER A 42 -1.891 2.413 -5.521 1.00 0.00 H new ATOM 630 N PHE A 43 -3.173 0.098 -1.275 1.00 0.00 N ATOM 631 CA PHE A 43 -2.841 -0.493 0.016 1.00 0.00 C ATOM 632 C PHE A 43 -3.731 -1.698 0.309 1.00 0.00 C ATOM 633 O PHE A 43 -3.254 -2.741 0.759 1.00 0.00 O ATOM 634 CB PHE A 43 -2.988 0.546 1.130 1.00 0.00 C ATOM 635 CG PHE A 43 -1.775 1.414 1.304 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.529 0.850 1.526 1.00 0.00 C ATOM 637 CD2 PHE A 43 -1.881 2.794 1.246 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.588 1.647 1.687 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.767 3.596 1.406 1.00 0.00 C ATOM 640 CZ PHE A 43 0.470 3.022 1.626 1.00 0.00 C ATOM 0 H PHE A 43 -3.541 1.048 -1.222 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.805 -0.830 -0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.849 1.178 0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.196 0.033 2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.430 -0.224 1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.845 3.248 1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.553 1.195 1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.863 4.671 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.342 3.646 1.750 1.00 0.00 H new ATOM 650 N CYS A 44 -5.025 -1.547 0.050 1.00 0.00 N ATOM 651 CA CYS A 44 -5.982 -2.621 0.286 1.00 0.00 C ATOM 652 C CYS A 44 -5.919 -3.661 -0.828 1.00 0.00 C ATOM 653 O CYS A 44 -6.098 -4.854 -0.588 1.00 0.00 O ATOM 654 CB CYS A 44 -7.399 -2.055 0.392 1.00 0.00 C ATOM 655 SG CYS A 44 -7.729 -1.174 1.936 1.00 0.00 S ATOM 0 H CYS A 44 -5.435 -0.691 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.721 -3.107 1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.571 -1.378 -0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.113 -2.872 0.293 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.951 -0.731 1.930 1.00 0.00 H new ATOM 661 N ALA A 45 -5.664 -3.198 -2.048 1.00 0.00 N ATOM 662 CA ALA A 45 -5.576 -4.088 -3.199 1.00 0.00 C ATOM 663 C ALA A 45 -4.549 -5.190 -2.964 1.00 0.00 C ATOM 664 O ALA A 45 -4.804 -6.360 -3.249 1.00 0.00 O ATOM 665 CB ALA A 45 -5.228 -3.297 -4.452 1.00 0.00 C ATOM 0 H ALA A 45 -5.515 -2.212 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.549 -4.559 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.165 -3.974 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.001 -2.551 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.268 -2.799 -4.313 1.00 0.00 H new ATOM 671 N ILE A 46 -3.387 -4.808 -2.445 1.00 0.00 N ATOM 672 CA ILE A 46 -2.322 -5.765 -2.172 1.00 0.00 C ATOM 673 C ILE A 46 -2.759 -6.794 -1.135 1.00 0.00 C ATOM 674 O ILE A 46 -2.891 -7.981 -1.439 1.00 0.00 O ATOM 675 CB ILE A 46 -1.046 -5.061 -1.673 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.538 -4.073 -2.725 1.00 0.00 C ATOM 677 CG2 ILE A 46 0.028 -6.084 -1.337 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.379 -3.009 -2.163 1.00 0.00 C ATOM 0 H ILE A 46 -3.159 -3.843 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.104 -6.270 -3.113 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.287 -4.506 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.009 -4.623 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.392 -3.591 -3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.923 -5.570 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.337 -6.752 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.269 -6.665 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.700 -2.345 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.153 -2.433 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.252 -3.482 -1.712 1.00 0.00 H new ATOM 690 N LEU A 47 -2.984 -6.333 0.090 1.00 0.00 N ATOM 691 CA LEU A 47 -3.409 -7.213 1.173 1.00 0.00 C ATOM 692 C LEU A 47 -4.551 -8.119 0.722 1.00 0.00 C ATOM 693 O LEU A 47 -4.677 -9.253 1.185 1.00 0.00 O ATOM 694 CB LEU A 47 -3.846 -6.388 2.385 1.00 0.00 C ATOM 695 CG LEU A 47 -4.088 -7.170 3.677 1.00 0.00 C ATOM 696 CD1 LEU A 47 -2.770 -7.634 4.275 1.00 0.00 C ATOM 697 CD2 LEU A 47 -4.860 -6.321 4.677 1.00 0.00 C ATOM 0 H LEU A 47 -2.879 -5.355 0.358 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.562 -7.839 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.085 -5.632 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.763 -5.858 2.127 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.685 -8.050 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.962 -8.188 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.254 -8.279 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.147 -6.768 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.023 -6.893 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.288 -5.422 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.822 -6.039 4.249 1.00 0.00 H new ATOM 709 N HIS A 48 -5.379 -7.611 -0.185 1.00 0.00 N ATOM 710 CA HIS A 48 -6.509 -8.376 -0.701 1.00 0.00 C ATOM 711 C HIS A 48 -6.030 -9.527 -1.581 1.00 0.00 C ATOM 712 O HIS A 48 -6.562 -10.635 -1.514 1.00 0.00 O ATOM 713 CB HIS A 48 -7.447 -7.467 -1.496 1.00 0.00 C ATOM 714 CG HIS A 48 -8.682 -8.160 -1.984 1.00 0.00 C ATOM 715 ND1 HIS A 48 -8.684 -9.030 -3.053 1.00 0.00 N ATOM 716 CD2 HIS A 48 -9.960 -8.108 -1.540 1.00 0.00 C ATOM 717 CE1 HIS A 48 -9.910 -9.482 -3.248 1.00 0.00 C ATOM 718 NE2 HIS A 48 -10.703 -8.938 -2.342 1.00 0.00 N ATOM 0 H HIS A 48 -5.289 -6.674 -0.578 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.052 -8.792 0.148 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.737 -6.623 -0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.907 -7.060 -2.351 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.326 -7.523 -0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.212 -10.178 -4.017 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.705 -9.107 -2.253 1.00 0.00 H new ATOM 727 N HIS A 49 -5.023 -9.256 -2.405 1.00 0.00 N ATOM 728 CA HIS A 49 -4.472 -10.269 -3.298 1.00 0.00 C ATOM 729 C HIS A 49 -4.212 -11.571 -2.548 1.00 0.00 C ATOM 730 O HIS A 49 -4.645 -12.642 -2.974 1.00 0.00 O ATOM 731 CB HIS A 49 -3.177 -9.767 -3.936 1.00 0.00 C ATOM 732 CG HIS A 49 -2.797 -10.506 -5.182 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.694 -10.795 -6.189 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.608 -11.015 -5.582 1.00 0.00 C ATOM 735 CE1 HIS A 49 -3.074 -11.450 -7.154 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.807 -11.597 -6.810 1.00 0.00 N ATOM 0 H HIS A 49 -4.572 -8.344 -2.473 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.203 -10.462 -4.083 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.284 -8.708 -4.170 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.367 -9.853 -3.211 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.677 -10.972 -5.037 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.526 -11.805 -8.068 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.092 -12.067 -7.366 1.00 0.00 H new ATOM 745 N PHE A 50 -3.503 -11.472 -1.428 1.00 0.00 N ATOM 746 CA PHE A 50 -3.183 -12.643 -0.619 1.00 0.00 C ATOM 747 C PHE A 50 -4.401 -13.102 0.177 1.00 0.00 C ATOM 748 O PHE A 50 -4.722 -14.290 0.211 1.00 0.00 O ATOM 749 CB PHE A 50 -2.025 -12.331 0.331 1.00 0.00 C ATOM 750 CG PHE A 50 -0.835 -11.723 -0.353 1.00 0.00 C ATOM 751 CD1 PHE A 50 -0.788 -10.363 -0.613 1.00 0.00 C ATOM 752 CD2 PHE A 50 0.239 -12.512 -0.736 1.00 0.00 C ATOM 753 CE1 PHE A 50 0.306 -9.801 -1.244 1.00 0.00 C ATOM 754 CE2 PHE A 50 1.336 -11.955 -1.366 1.00 0.00 C ATOM 755 CZ PHE A 50 1.370 -10.598 -1.620 1.00 0.00 C ATOM 0 H PHE A 50 -3.139 -10.593 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.885 -13.449 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.375 -11.650 1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.717 -13.250 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.616 -9.735 -0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.218 -13.574 -0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.329 -8.740 -1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.166 -12.581 -1.659 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.227 -10.161 -2.112 1.00 0.00 H new ATOM 765 N ARG A 51 -5.074 -12.152 0.818 1.00 0.00 N ATOM 766 CA ARG A 51 -6.255 -12.458 1.616 1.00 0.00 C ATOM 767 C ARG A 51 -7.327 -11.388 1.433 1.00 0.00 C ATOM 768 O ARG A 51 -7.229 -10.279 1.960 1.00 0.00 O ATOM 769 CB ARG A 51 -5.881 -12.573 3.095 1.00 0.00 C ATOM 770 CG ARG A 51 -6.807 -13.480 3.889 1.00 0.00 C ATOM 771 CD ARG A 51 -6.696 -14.926 3.433 1.00 0.00 C ATOM 772 NE ARG A 51 -7.422 -15.836 4.315 1.00 0.00 N ATOM 773 CZ ARG A 51 -7.814 -17.052 3.955 1.00 0.00 C ATOM 774 NH1 ARG A 51 -7.551 -17.503 2.736 1.00 0.00 N ATOM 775 NH2 ARG A 51 -8.470 -17.821 4.814 1.00 0.00 N ATOM 0 H ARG A 51 -4.821 -11.164 0.800 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.657 -13.412 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.861 -12.950 3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.890 -11.579 3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.563 -13.412 4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.836 -13.140 3.776 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.085 -15.017 2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.646 -15.216 3.399 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.640 -15.520 5.260 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.046 -16.915 2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.853 -18.438 2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.674 -17.478 5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.771 -18.755 4.536 1.00 0.00 H new ATOM 789 N PRO A 52 -8.376 -11.726 0.668 1.00 0.00 N ATOM 790 CA PRO A 52 -9.487 -10.808 0.398 1.00 0.00 C ATOM 791 C PRO A 52 -10.344 -10.556 1.633 1.00 0.00 C ATOM 792 O PRO A 52 -10.716 -9.418 1.921 1.00 0.00 O ATOM 793 CB PRO A 52 -10.297 -11.539 -0.675 1.00 0.00 C ATOM 794 CG PRO A 52 -9.982 -12.981 -0.472 1.00 0.00 C ATOM 795 CD PRO A 52 -8.559 -13.030 0.009 1.00 0.00 C ATOM 0 HA PRO A 52 -9.137 -9.823 0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.364 -11.348 -0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.016 -11.210 -1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.656 -13.429 0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.100 -13.541 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.397 -13.856 0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.860 -13.164 -0.817 1.00 0.00 H new ATOM 803 N ASP A 53 -10.654 -11.623 2.361 1.00 0.00 N ATOM 804 CA ASP A 53 -11.467 -11.517 3.567 1.00 0.00 C ATOM 805 C ASP A 53 -10.883 -10.484 4.526 1.00 0.00 C ATOM 806 O ASP A 53 -11.619 -9.733 5.169 1.00 0.00 O ATOM 807 CB ASP A 53 -11.567 -12.876 4.261 1.00 0.00 C ATOM 808 CG ASP A 53 -11.757 -12.748 5.760 1.00 0.00 C ATOM 809 OD1 ASP A 53 -12.416 -11.779 6.193 1.00 0.00 O ATOM 810 OD2 ASP A 53 -11.247 -13.615 6.500 1.00 0.00 O ATOM 0 H ASP A 53 -10.354 -12.572 2.137 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.466 -11.192 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.401 -13.436 3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.663 -13.451 4.060 1.00 0.00 H new ATOM 815 N LEU A 54 -9.559 -10.451 4.618 1.00 0.00 N ATOM 816 CA LEU A 54 -8.876 -9.510 5.499 1.00 0.00 C ATOM 817 C LEU A 54 -9.414 -8.096 5.308 1.00 0.00 C ATOM 818 O LEU A 54 -9.548 -7.337 6.268 1.00 0.00 O ATOM 819 CB LEU A 54 -7.369 -9.535 5.236 1.00 0.00 C ATOM 820 CG LEU A 54 -6.557 -10.522 6.075 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.072 -10.380 5.778 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.829 -10.312 7.557 1.00 0.00 C ATOM 0 H LEU A 54 -8.936 -11.065 4.093 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.063 -9.814 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.208 -9.766 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.974 -8.533 5.407 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.864 -11.534 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.510 -11.090 6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.891 -10.582 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.749 -9.366 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.243 -11.023 8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.550 -9.296 7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.889 -10.466 7.758 1.00 0.00 H new ATOM 834 N ILE A 55 -9.722 -7.749 4.063 1.00 0.00 N ATOM 835 CA ILE A 55 -10.249 -6.428 3.746 1.00 0.00 C ATOM 836 C ILE A 55 -11.588 -6.528 3.025 1.00 0.00 C ATOM 837 O ILE A 55 -12.078 -7.624 2.752 1.00 0.00 O ATOM 838 CB ILE A 55 -9.267 -5.625 2.873 1.00 0.00 C ATOM 839 CG1 ILE A 55 -7.830 -6.084 3.129 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.410 -4.135 3.147 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.375 -7.191 2.204 1.00 0.00 C ATOM 0 H ILE A 55 -9.615 -8.365 3.257 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.388 -5.908 4.694 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.505 -5.806 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.160 -5.231 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.745 -6.426 4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.709 -3.581 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.428 -3.819 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.196 -3.936 4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.348 -7.466 2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.021 -8.059 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.428 -6.847 1.171 1.00 0.00 H new ATOM 853 N ASP A 56 -12.176 -5.377 2.718 1.00 0.00 N ATOM 854 CA ASP A 56 -13.458 -5.334 2.025 1.00 0.00 C ATOM 855 C ASP A 56 -13.312 -4.690 0.650 1.00 0.00 C ATOM 856 O ASP A 56 -14.271 -4.143 0.104 1.00 0.00 O ATOM 857 CB ASP A 56 -14.486 -4.564 2.856 1.00 0.00 C ATOM 858 CG ASP A 56 -14.965 -5.352 4.059 1.00 0.00 C ATOM 859 OD1 ASP A 56 -14.180 -5.506 5.018 1.00 0.00 O ATOM 860 OD2 ASP A 56 -16.124 -5.817 4.042 1.00 0.00 O ATOM 0 H ASP A 56 -11.785 -4.461 2.938 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.805 -6.359 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.047 -3.625 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.340 -4.310 2.228 1.00 0.00 H new ATOM 865 N TYR A 57 -12.106 -4.756 0.096 1.00 0.00 N ATOM 866 CA TYR A 57 -11.834 -4.176 -1.213 1.00 0.00 C ATOM 867 C TYR A 57 -12.900 -4.587 -2.224 1.00 0.00 C ATOM 868 O TYR A 57 -13.155 -3.879 -3.199 1.00 0.00 O ATOM 869 CB TYR A 57 -10.452 -4.609 -1.708 1.00 0.00 C ATOM 870 CG TYR A 57 -9.965 -3.824 -2.905 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.566 -3.973 -4.150 1.00 0.00 C ATOM 872 CD2 TYR A 57 -8.905 -2.933 -2.792 1.00 0.00 C ATOM 873 CE1 TYR A 57 -10.123 -3.259 -5.246 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.456 -2.214 -3.883 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.069 -2.381 -5.108 1.00 0.00 C ATOM 876 OH TYR A 57 -8.626 -1.666 -6.197 1.00 0.00 O ATOM 0 H TYR A 57 -11.302 -5.205 0.534 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.854 -3.091 -1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.734 -4.500 -0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.483 -5.668 -1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.393 -4.659 -4.262 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.424 -2.800 -1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.600 -3.388 -6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.630 -1.526 -3.778 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.878 -1.092 -5.929 1.00 0.00 H new ATOM 886 N LYS A 58 -13.522 -5.736 -1.984 1.00 0.00 N ATOM 887 CA LYS A 58 -14.563 -6.243 -2.870 1.00 0.00 C ATOM 888 C LYS A 58 -15.701 -5.236 -3.004 1.00 0.00 C ATOM 889 O LYS A 58 -16.305 -5.106 -4.069 1.00 0.00 O ATOM 890 CB LYS A 58 -15.105 -7.574 -2.345 1.00 0.00 C ATOM 891 CG LYS A 58 -15.823 -7.455 -1.012 1.00 0.00 C ATOM 892 CD LYS A 58 -16.414 -8.786 -0.576 1.00 0.00 C ATOM 893 CE LYS A 58 -17.773 -9.029 -1.215 1.00 0.00 C ATOM 894 NZ LYS A 58 -17.652 -9.720 -2.529 1.00 0.00 N ATOM 0 H LYS A 58 -13.323 -6.334 -1.182 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.122 -6.400 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.791 -7.993 -3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.279 -8.278 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.126 -7.099 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.616 -6.712 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.734 -9.593 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.513 -8.803 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.388 -9.629 -0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.286 -8.077 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.016 -9.101 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.653 -9.940 -2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.203 -10.602 -2.510 1.00 0.00 H new ATOM 908 N SER A 59 -15.987 -4.526 -1.918 1.00 0.00 N ATOM 909 CA SER A 59 -17.055 -3.532 -1.914 1.00 0.00 C ATOM 910 C SER A 59 -16.520 -2.163 -1.507 1.00 0.00 C ATOM 911 O SER A 59 -17.222 -1.373 -0.873 1.00 0.00 O ATOM 912 CB SER A 59 -18.174 -3.959 -0.963 1.00 0.00 C ATOM 913 OG SER A 59 -17.683 -4.144 0.353 1.00 0.00 O ATOM 0 H SER A 59 -15.495 -4.620 -1.030 1.00 0.00 H new ATOM 0 HA SER A 59 -17.456 -3.460 -2.925 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.959 -3.203 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.625 -4.885 -1.320 1.00 0.00 H new ATOM 0 HG SER A 59 -18.418 -4.415 0.941 1.00 0.00 H new ATOM 919 N LEU A 60 -15.274 -1.887 -1.875 1.00 0.00 N ATOM 920 CA LEU A 60 -14.643 -0.613 -1.548 1.00 0.00 C ATOM 921 C LEU A 60 -14.808 0.384 -2.691 1.00 0.00 C ATOM 922 O LEU A 60 -15.482 0.103 -3.680 1.00 0.00 O ATOM 923 CB LEU A 60 -13.158 -0.819 -1.245 1.00 0.00 C ATOM 924 CG LEU A 60 -12.820 -1.281 0.173 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.333 -1.115 0.447 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.642 -0.510 1.195 1.00 0.00 C ATOM 0 H LEU A 60 -14.680 -2.529 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.134 -0.208 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.762 -1.552 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.636 0.119 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.069 -2.339 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.110 -1.449 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.763 -1.712 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.059 -0.065 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.388 -0.852 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.424 0.555 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.703 -0.680 1.011 1.00 0.00 H new ATOM 938 N ASN A 61 -14.184 1.549 -2.546 1.00 0.00 N ATOM 939 CA ASN A 61 -14.260 2.588 -3.567 1.00 0.00 C ATOM 940 C ASN A 61 -13.339 3.755 -3.225 1.00 0.00 C ATOM 941 O ASN A 61 -12.934 3.943 -2.077 1.00 0.00 O ATOM 942 CB ASN A 61 -15.700 3.085 -3.713 1.00 0.00 C ATOM 943 CG ASN A 61 -16.514 2.230 -4.664 1.00 0.00 C ATOM 944 OD1 ASN A 61 -17.630 1.818 -4.346 1.00 0.00 O ATOM 945 ND2 ASN A 61 -15.957 1.957 -5.838 1.00 0.00 N ATOM 0 H ASN A 61 -13.621 1.797 -1.732 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.934 2.157 -4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.180 3.092 -2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.691 4.114 -4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.456 1.385 -6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.030 2.320 -6.059 1.00 0.00 H new ATOM 952 N PRO A 62 -13.000 4.560 -4.243 1.00 0.00 N ATOM 953 CA PRO A 62 -12.124 5.723 -4.075 1.00 0.00 C ATOM 954 C PRO A 62 -12.793 6.843 -3.285 1.00 0.00 C ATOM 955 O PRO A 62 -12.224 7.921 -3.117 1.00 0.00 O ATOM 956 CB PRO A 62 -11.852 6.173 -5.513 1.00 0.00 C ATOM 957 CG PRO A 62 -13.023 5.682 -6.292 1.00 0.00 C ATOM 958 CD PRO A 62 -13.446 4.396 -5.637 1.00 0.00 C ATOM 0 HA PRO A 62 -11.223 5.477 -3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.760 7.257 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.921 5.751 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.833 6.411 -6.280 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.756 5.519 -7.336 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.524 4.249 -5.699 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.979 3.532 -6.109 1.00 0.00 H new ATOM 966 N GLN A 63 -14.003 6.579 -2.802 1.00 0.00 N ATOM 967 CA GLN A 63 -14.748 7.566 -2.029 1.00 0.00 C ATOM 968 C GLN A 63 -14.253 7.616 -0.588 1.00 0.00 C ATOM 969 O GLN A 63 -14.457 8.606 0.115 1.00 0.00 O ATOM 970 CB GLN A 63 -16.243 7.242 -2.056 1.00 0.00 C ATOM 971 CG GLN A 63 -16.560 5.800 -1.695 1.00 0.00 C ATOM 972 CD GLN A 63 -16.005 5.401 -0.342 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.005 6.194 0.600 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.527 4.167 -0.238 1.00 0.00 N ATOM 0 H GLN A 63 -14.488 5.691 -2.932 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.586 8.544 -2.483 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.762 7.904 -1.363 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.634 7.453 -3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.641 5.659 -1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.151 5.140 -2.460 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.547 3.543 -1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.140 3.843 0.648 1.00 0.00 H new ATOM 983 N ASP A 64 -13.601 6.543 -0.154 1.00 0.00 N ATOM 984 CA ASP A 64 -13.075 6.465 1.204 1.00 0.00 C ATOM 985 C ASP A 64 -11.571 6.720 1.220 1.00 0.00 C ATOM 986 O ASP A 64 -10.794 5.942 0.667 1.00 0.00 O ATOM 987 CB ASP A 64 -13.379 5.095 1.814 1.00 0.00 C ATOM 988 CG ASP A 64 -14.733 5.052 2.495 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.207 6.118 2.941 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.318 3.953 2.583 1.00 0.00 O ATOM 0 H ASP A 64 -13.424 5.715 -0.723 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.562 7.236 1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.345 4.337 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.604 4.842 2.537 1.00 0.00 H new ATOM 995 N ILE A 65 -11.169 7.815 1.857 1.00 0.00 N ATOM 996 CA ILE A 65 -9.759 8.172 1.944 1.00 0.00 C ATOM 997 C ILE A 65 -9.186 7.819 3.313 1.00 0.00 C ATOM 998 O ILE A 65 -8.088 7.271 3.416 1.00 0.00 O ATOM 999 CB ILE A 65 -9.541 9.674 1.682 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.961 10.030 0.254 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -8.086 10.048 1.921 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.891 11.512 -0.044 1.00 0.00 C ATOM 0 H ILE A 65 -11.800 8.469 2.320 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.241 7.598 1.176 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.160 10.243 2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.321 9.496 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.980 9.681 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.948 11.113 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.818 9.825 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.448 9.474 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -10.202 11.691 -1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.552 12.051 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.868 11.863 0.092 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.938 8.133 4.362 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.509 7.847 5.725 1.00 0.00 C ATOM 1016 C LYS A 66 -9.752 6.382 6.076 1.00 0.00 C ATOM 1017 O LYS A 66 -8.892 5.723 6.659 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.248 8.749 6.715 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.542 8.892 8.053 1.00 0.00 C ATOM 1020 CD LYS A 66 -9.877 10.215 8.721 1.00 0.00 C ATOM 1021 CE LYS A 66 -11.204 10.144 9.463 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.560 11.448 10.088 1.00 0.00 N ATOM 0 H LYS A 66 -10.849 8.586 4.294 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.439 8.046 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.371 9.737 6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.248 8.348 6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.830 8.069 8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.464 8.820 7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.083 10.483 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.921 11.003 7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.992 9.846 8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.149 9.375 10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.470 11.358 10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.821 11.721 10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.638 12.177 9.350 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.929 5.880 5.716 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.284 4.493 5.993 1.00 0.00 C ATOM 1038 C GLU A 67 -10.374 3.536 5.230 1.00 0.00 C ATOM 1039 O GLU A 67 -9.599 2.790 5.827 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.745 4.233 5.619 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.226 2.837 5.978 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.729 2.767 6.163 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.446 3.542 5.497 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -15.188 1.936 6.975 1.00 0.00 O ATOM 0 H GLU A 67 -11.652 6.412 5.232 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.153 4.317 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.376 4.966 6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.870 4.387 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.928 2.141 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.735 2.513 6.896 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.475 3.562 3.905 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.662 2.696 3.059 1.00 0.00 C ATOM 1053 C ASN A 68 -8.281 2.479 3.670 1.00 0.00 C ATOM 1054 O ASN A 68 -7.880 1.347 3.936 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.523 3.300 1.660 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.687 2.939 0.757 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.708 2.427 1.216 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.538 3.205 -0.536 1.00 0.00 N ATOM 0 H ASN A 68 -11.112 4.173 3.394 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.162 1.731 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.452 4.385 1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.594 2.953 1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.287 2.984 -1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.674 3.630 -0.873 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.559 3.573 3.891 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.223 3.503 4.471 1.00 0.00 C ATOM 1067 C ASN A 69 -6.249 2.774 5.811 1.00 0.00 C ATOM 1068 O ASN A 69 -5.451 1.869 6.055 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.649 4.909 4.654 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.977 5.427 3.397 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.751 5.529 3.332 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.778 5.757 2.390 1.00 0.00 N ATOM 0 H ASN A 69 -7.877 4.518 3.677 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.586 2.944 3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.449 5.591 4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.928 4.901 5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.383 6.111 1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.788 5.656 2.488 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.173 3.175 6.678 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.307 2.561 7.993 1.00 0.00 C ATOM 1081 C LYS A 70 -7.467 1.048 7.874 1.00 0.00 C ATOM 1082 O LYS A 70 -6.778 0.285 8.551 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.506 3.154 8.737 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.816 2.452 10.048 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.436 3.405 11.057 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.376 4.234 11.765 1.00 0.00 C ATOM 1087 NZ LYS A 70 -8.981 5.265 12.653 1.00 0.00 N ATOM 0 H LYS A 70 -7.841 3.924 6.493 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.398 2.770 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.314 4.208 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.383 3.105 8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.497 1.621 9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.900 2.029 10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.138 4.067 10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.007 2.837 11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.735 3.578 12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.740 4.720 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.226 5.809 13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.572 5.907 12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.567 4.800 13.375 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.379 0.621 7.007 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.628 -0.800 6.796 1.00 0.00 C ATOM 1103 C LYS A 71 -7.317 -1.573 6.696 1.00 0.00 C ATOM 1104 O LYS A 71 -7.150 -2.614 7.332 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.455 -1.010 5.525 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.784 -0.275 5.535 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.835 -1.013 4.724 1.00 0.00 C ATOM 1108 CE LYS A 71 -12.615 -1.996 5.584 1.00 0.00 C ATOM 1109 NZ LYS A 71 -11.730 -3.034 6.181 1.00 0.00 N ATOM 0 H LYS A 71 -8.958 1.239 6.439 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.187 -1.177 7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.873 -0.680 4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.640 -2.076 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.130 -0.161 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.649 0.728 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.522 -0.294 4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.355 -1.547 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.128 -1.455 6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.383 -2.478 4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.312 -3.778 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.134 -3.452 5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.125 -2.599 6.906 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.390 -1.057 5.896 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.093 -1.697 5.717 1.00 0.00 C ATOM 1125 C ALA A 72 -4.331 -1.771 7.035 1.00 0.00 C ATOM 1126 O ALA A 72 -4.176 -2.846 7.615 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.276 -0.951 4.673 1.00 0.00 C ATOM 0 H ALA A 72 -6.513 -0.197 5.361 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.263 -2.716 5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.310 -1.440 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.809 -0.956 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.123 0.078 4.998 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.855 -0.622 7.503 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.105 -0.557 8.752 1.00 0.00 C ATOM 1135 C TYR A 73 -3.606 -1.604 9.743 1.00 0.00 C ATOM 1136 O TYR A 73 -2.829 -2.400 10.269 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.217 0.839 9.367 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.862 1.953 8.408 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.753 1.852 7.576 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.633 3.106 8.335 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.424 2.867 6.699 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.312 4.126 7.460 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.207 4.002 6.645 1.00 0.00 C ATOM 1144 OH TYR A 73 -1.883 5.016 5.773 1.00 0.00 O ATOM 0 H TYR A 73 -3.975 0.277 7.036 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.058 -0.765 8.529 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.236 0.989 9.724 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.563 0.897 10.237 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.138 0.965 7.616 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.498 3.207 8.973 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.559 2.773 6.059 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.923 5.015 7.415 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.553 5.060 5.059 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.911 -1.595 9.993 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.518 -2.543 10.920 1.00 0.00 C ATOM 1156 C ASP A 74 -5.067 -3.967 10.613 1.00 0.00 C ATOM 1157 O ASP A 74 -4.698 -4.720 11.514 1.00 0.00 O ATOM 1158 CB ASP A 74 -7.044 -2.452 10.849 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.711 -2.926 12.125 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.133 -3.796 12.810 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.812 -2.427 12.439 1.00 0.00 O ATOM 0 H ASP A 74 -5.568 -0.942 9.567 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.193 -2.287 11.928 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.335 -1.420 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.402 -3.050 10.011 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.100 -4.331 9.335 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.693 -5.665 8.932 1.00 0.00 C ATOM 1168 C GLY A 75 -3.186 -5.819 8.877 1.00 0.00 C ATOM 1169 O GLY A 75 -2.625 -6.728 9.490 1.00 0.00 O ATOM 0 H GLY A 75 -5.401 -3.726 8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.104 -6.394 9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.114 -5.890 7.952 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.528 -4.930 8.141 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.077 -4.973 8.005 1.00 0.00 C ATOM 1175 C PHE A 76 -0.407 -5.100 9.371 1.00 0.00 C ATOM 1176 O PHE A 76 0.431 -5.976 9.583 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.572 -3.716 7.292 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.850 -3.712 5.817 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.584 -4.832 5.045 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.378 -2.588 5.201 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.840 -4.831 3.686 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.635 -2.582 3.843 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.365 -3.705 3.085 1.00 0.00 C ATOM 0 H PHE A 76 -2.977 -4.170 7.629 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.819 -5.848 7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.037 -2.840 7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.502 -3.624 7.451 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.172 -5.715 5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.591 -1.707 5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.629 -5.710 3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.047 -1.700 3.375 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.564 -3.702 2.024 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.783 -4.219 10.292 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.220 -4.233 11.637 1.00 0.00 C ATOM 1195 C ALA A 77 -0.648 -5.483 12.398 1.00 0.00 C ATOM 1196 O ALA A 77 0.090 -5.991 13.242 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.637 -2.982 12.396 1.00 0.00 C ATOM 0 H ALA A 77 -1.475 -3.487 10.132 1.00 0.00 H new ATOM 0 HA ALA A 77 0.866 -4.247 11.550 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.210 -3.005 13.399 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.276 -2.099 11.868 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.724 -2.944 12.466 1.00 0.00 H new ATOM 1203 N SER A 78 -1.846 -5.975 12.094 1.00 0.00 N ATOM 1204 CA SER A 78 -2.374 -7.163 12.753 1.00 0.00 C ATOM 1205 C SER A 78 -1.308 -8.252 12.846 1.00 0.00 C ATOM 1206 O SER A 78 -1.099 -8.841 13.906 1.00 0.00 O ATOM 1207 CB SER A 78 -3.594 -7.692 11.997 1.00 0.00 C ATOM 1208 OG SER A 78 -4.343 -8.587 12.800 1.00 0.00 O ATOM 0 H SER A 78 -2.468 -5.569 11.396 1.00 0.00 H new ATOM 0 HA SER A 78 -2.674 -6.885 13.763 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.225 -6.858 11.690 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.271 -8.198 11.087 1.00 0.00 H new ATOM 0 HG SER A 78 -5.118 -8.910 12.295 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.639 -8.512 11.728 1.00 0.00 N ATOM 1215 CA ILE A 79 0.405 -9.528 11.683 1.00 0.00 C ATOM 1216 C ILE A 79 1.663 -9.056 12.404 1.00 0.00 C ATOM 1217 O ILE A 79 2.328 -9.833 13.088 1.00 0.00 O ATOM 1218 CB ILE A 79 0.767 -9.899 10.232 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.010 -8.636 9.405 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.336 -10.742 9.610 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.605 -8.911 8.042 1.00 0.00 C ATOM 0 H ILE A 79 -0.801 -8.034 10.842 1.00 0.00 H new ATOM 0 HA ILE A 79 0.009 -10.410 12.187 1.00 0.00 H new ATOM 0 HB ILE A 79 1.685 -10.486 10.241 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.066 -8.106 9.280 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.677 -7.973 9.956 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.066 -10.996 8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.465 -11.657 10.189 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.269 -10.178 9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.750 -7.970 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.565 -9.413 8.159 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.929 -9.548 7.472 1.00 0.00 H new ATOM 1233 N GLY A 80 1.983 -7.775 12.247 1.00 0.00 N ATOM 1234 CA GLY A 80 3.160 -7.221 12.891 1.00 0.00 C ATOM 1235 C GLY A 80 3.863 -6.193 12.026 1.00 0.00 C ATOM 1236 O GLY A 80 5.087 -6.063 12.076 1.00 0.00 O ATOM 0 H GLY A 80 1.449 -7.112 11.686 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.871 -6.760 13.836 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.854 -8.027 13.129 1.00 0.00 H new ATOM 1240 N ILE A 81 3.089 -5.461 11.232 1.00 0.00 N ATOM 1241 CA ILE A 81 3.646 -4.440 10.353 1.00 0.00 C ATOM 1242 C ILE A 81 3.443 -3.045 10.933 1.00 0.00 C ATOM 1243 O ILE A 81 2.353 -2.479 10.850 1.00 0.00 O ATOM 1244 CB ILE A 81 3.011 -4.498 8.951 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.227 -5.878 8.326 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.594 -3.410 8.061 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.575 -6.036 6.970 1.00 0.00 C ATOM 0 H ILE A 81 2.075 -5.556 11.179 1.00 0.00 H new ATOM 0 HA ILE A 81 4.713 -4.644 10.269 1.00 0.00 H new ATOM 0 HB ILE A 81 1.939 -4.327 9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.297 -6.061 8.229 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.834 -6.639 9.000 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.136 -3.463 7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.394 -2.433 8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.671 -3.553 7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.769 -7.038 6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.499 -5.886 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.986 -5.298 6.281 1.00 0.00 H new ATOM 1259 N SER A 82 4.501 -2.494 11.520 1.00 0.00 N ATOM 1260 CA SER A 82 4.439 -1.165 12.117 1.00 0.00 C ATOM 1261 C SER A 82 3.863 -0.153 11.131 1.00 0.00 C ATOM 1262 O SER A 82 4.361 -0.007 10.014 1.00 0.00 O ATOM 1263 CB SER A 82 5.831 -0.720 12.568 1.00 0.00 C ATOM 1264 OG SER A 82 6.270 -1.472 13.685 1.00 0.00 O ATOM 0 H SER A 82 5.412 -2.948 11.595 1.00 0.00 H new ATOM 0 HA SER A 82 3.782 -1.214 12.986 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.538 -0.837 11.746 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.812 0.339 12.824 1.00 0.00 H new ATOM 0 HG SER A 82 7.163 -1.169 13.953 1.00 0.00 H new ATOM 1270 N ARG A 83 2.812 0.542 11.552 1.00 0.00 N ATOM 1271 CA ARG A 83 2.167 1.539 10.706 1.00 0.00 C ATOM 1272 C ARG A 83 2.885 2.882 10.804 1.00 0.00 C ATOM 1273 O ARG A 83 2.903 3.513 11.862 1.00 0.00 O ATOM 1274 CB ARG A 83 0.699 1.704 11.104 1.00 0.00 C ATOM 1275 CG ARG A 83 -0.044 0.386 11.250 1.00 0.00 C ATOM 1276 CD ARG A 83 -1.197 0.503 12.234 1.00 0.00 C ATOM 1277 NE ARG A 83 -0.751 0.379 13.619 1.00 0.00 N ATOM 1278 CZ ARG A 83 -1.463 0.796 14.660 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -2.648 1.359 14.475 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -0.989 0.648 15.891 1.00 0.00 N ATOM 0 H ARG A 83 2.389 0.433 12.474 1.00 0.00 H new ATOM 0 HA ARG A 83 2.220 1.192 9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.646 2.248 12.047 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.195 2.315 10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.424 0.072 10.278 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.647 -0.387 11.587 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.693 1.464 12.098 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.935 -0.270 12.021 1.00 0.00 H new ATOM 0 HE ARG A 83 0.157 -0.051 13.797 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.016 1.473 13.531 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.192 1.678 15.277 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.078 0.214 16.038 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.536 0.968 16.690 1.00 0.00 H new ATOM 1294 N LEU A 84 3.477 3.313 9.696 1.00 0.00 N ATOM 1295 CA LEU A 84 4.198 4.581 9.656 1.00 0.00 C ATOM 1296 C LEU A 84 3.279 5.716 9.214 1.00 0.00 C ATOM 1297 O LEU A 84 3.255 6.784 9.827 1.00 0.00 O ATOM 1298 CB LEU A 84 5.395 4.480 8.710 1.00 0.00 C ATOM 1299 CG LEU A 84 6.374 3.338 8.986 1.00 0.00 C ATOM 1300 CD1 LEU A 84 7.344 3.175 7.825 1.00 0.00 C ATOM 1301 CD2 LEU A 84 7.130 3.585 10.283 1.00 0.00 C ATOM 0 H LEU A 84 3.472 2.803 8.813 1.00 0.00 H new ATOM 0 HA LEU A 84 4.556 4.799 10.662 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.020 4.373 7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.944 5.421 8.750 1.00 0.00 H new ATOM 0 HG LEU A 84 5.805 2.414 9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.033 2.358 8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.788 2.952 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.907 4.098 7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.822 2.762 10.463 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.688 4.518 10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.423 3.652 11.110 1.00 0.00 H new ATOM 1313 N LEU A 85 2.524 5.477 8.148 1.00 0.00 N ATOM 1314 CA LEU A 85 1.601 6.478 7.624 1.00 0.00 C ATOM 1315 C LEU A 85 0.239 6.370 8.302 1.00 0.00 C ATOM 1316 O LEU A 85 -0.182 5.285 8.700 1.00 0.00 O ATOM 1317 CB LEU A 85 1.445 6.314 6.111 1.00 0.00 C ATOM 1318 CG LEU A 85 1.020 7.565 5.342 1.00 0.00 C ATOM 1319 CD1 LEU A 85 2.086 8.645 5.447 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.744 7.226 3.884 1.00 0.00 C ATOM 0 H LEU A 85 2.532 4.599 7.629 1.00 0.00 H new ATOM 0 HA LEU A 85 2.014 7.464 7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.394 5.966 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.711 5.530 5.924 1.00 0.00 H new ATOM 0 HG LEU A 85 0.101 7.947 5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.766 9.528 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.236 8.908 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.022 8.274 5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.443 8.128 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.647 6.820 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.055 6.487 3.827 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.446 7.503 8.427 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.761 7.535 9.055 1.00 0.00 C ATOM 1334 C GLU A 86 -2.855 7.764 8.016 1.00 0.00 C ATOM 1335 O GLU A 86 -2.657 8.445 7.009 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.816 8.632 10.120 1.00 0.00 C ATOM 1337 CG GLU A 86 -0.755 8.488 11.198 1.00 0.00 C ATOM 1338 CD GLU A 86 -0.750 7.109 11.831 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -1.709 6.791 12.565 1.00 0.00 O ATOM 1340 OE2 GLU A 86 0.212 6.350 11.592 1.00 0.00 O ATOM 0 H GLU A 86 -0.112 8.410 8.102 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.932 6.569 9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.701 9.602 9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.801 8.624 10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.226 8.689 10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.923 9.238 11.971 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.037 7.182 8.264 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.186 7.308 7.362 1.00 0.00 C ATOM 1349 C PRO A 87 -5.770 8.717 7.360 1.00 0.00 C ATOM 1350 O PRO A 87 -5.968 9.314 6.302 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.198 6.311 7.935 1.00 0.00 C ATOM 1352 CG PRO A 87 -5.837 6.192 9.376 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.344 6.356 9.444 1.00 0.00 C ATOM 0 HA PRO A 87 -4.913 7.112 6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.220 6.669 7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.134 5.347 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.341 6.955 9.969 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.142 5.225 9.776 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.035 6.845 10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.832 5.394 9.406 1.00 0.00 H new ATOM 1361 N SER A 88 -6.042 9.242 8.550 1.00 0.00 N ATOM 1362 CA SER A 88 -6.606 10.580 8.685 1.00 0.00 C ATOM 1363 C SER A 88 -5.683 11.623 8.063 1.00 0.00 C ATOM 1364 O SER A 88 -6.116 12.454 7.264 1.00 0.00 O ATOM 1365 CB SER A 88 -6.846 10.909 10.159 1.00 0.00 C ATOM 1366 OG SER A 88 -5.629 10.922 10.884 1.00 0.00 O ATOM 0 H SER A 88 -5.881 8.761 9.435 1.00 0.00 H new ATOM 0 HA SER A 88 -7.559 10.601 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.333 11.880 10.243 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.524 10.174 10.593 1.00 0.00 H new ATOM 0 HG SER A 88 -5.810 11.136 11.823 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.409 11.573 8.435 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.423 12.513 7.914 1.00 0.00 C ATOM 1374 C ASP A 89 -3.611 12.723 6.415 1.00 0.00 C ATOM 1375 O ASP A 89 -3.619 13.855 5.933 1.00 0.00 O ATOM 1376 CB ASP A 89 -2.007 12.009 8.198 1.00 0.00 C ATOM 1377 CG ASP A 89 -0.990 13.132 8.240 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -1.314 14.206 8.789 1.00 0.00 O ATOM 1379 OD2 ASP A 89 0.131 12.938 7.724 1.00 0.00 O ATOM 0 H ASP A 89 -4.034 10.892 9.095 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.568 13.469 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.998 11.479 9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.719 11.291 7.430 1.00 0.00 H new ATOM 1384 N MET A 90 -3.761 11.623 5.684 1.00 0.00 N ATOM 1385 CA MET A 90 -3.949 11.687 4.239 1.00 0.00 C ATOM 1386 C MET A 90 -5.039 12.691 3.876 1.00 0.00 C ATOM 1387 O MET A 90 -4.850 13.540 3.005 1.00 0.00 O ATOM 1388 CB MET A 90 -4.308 10.306 3.688 1.00 0.00 C ATOM 1389 CG MET A 90 -3.205 9.275 3.866 1.00 0.00 C ATOM 1390 SD MET A 90 -1.966 9.352 2.559 1.00 0.00 S ATOM 1391 CE MET A 90 -2.005 7.666 1.956 1.00 0.00 C ATOM 0 H MET A 90 -3.756 10.678 6.068 1.00 0.00 H new ATOM 0 HA MET A 90 -3.012 12.017 3.791 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.211 9.949 4.184 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.542 10.397 2.627 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.721 9.429 4.830 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.645 8.278 3.886 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.277 7.550 1.153 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.761 6.983 2.769 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.001 7.438 1.578 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.180 12.588 4.550 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.300 13.488 4.299 1.00 0.00 C ATOM 1403 C VAL A 91 -6.962 14.915 4.716 1.00 0.00 C ATOM 1404 O VAL A 91 -7.196 15.864 3.966 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.565 13.031 5.049 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.738 13.943 4.721 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.892 11.585 4.711 1.00 0.00 C ATOM 0 H VAL A 91 -6.353 11.891 5.274 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.493 13.463 3.227 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.374 13.095 6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.623 13.605 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.500 14.964 5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.933 13.914 3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.789 11.279 5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.064 11.492 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.058 10.946 5.002 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.410 15.060 5.915 1.00 0.00 N ATOM 1418 CA LEU A 92 -6.038 16.373 6.433 1.00 0.00 C ATOM 1419 C LEU A 92 -5.224 17.152 5.406 1.00 0.00 C ATOM 1420 O LEU A 92 -5.624 18.233 4.970 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.239 16.224 7.728 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.879 15.362 8.817 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.902 15.134 9.960 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -7.158 16.009 9.327 1.00 0.00 C ATOM 0 H LEU A 92 -6.210 14.285 6.547 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.953 16.928 6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.265 15.801 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.061 17.218 8.138 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.133 14.394 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.375 14.519 10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.014 14.626 9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.616 16.093 10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.599 15.382 10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.929 16.990 9.742 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.863 16.119 8.503 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.080 16.597 5.020 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.209 17.239 4.042 1.00 0.00 C ATOM 1438 C LEU A 93 -3.651 16.909 2.620 1.00 0.00 C ATOM 1439 O LEU A 93 -4.354 15.925 2.391 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.760 16.798 4.253 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.479 15.306 4.070 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.155 14.998 2.617 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.340 14.863 4.977 1.00 0.00 C ATOM 0 H LEU A 93 -3.734 15.703 5.370 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.278 18.318 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.128 17.354 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.457 17.083 5.261 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.375 14.751 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.958 13.932 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.000 15.278 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.274 15.563 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.154 13.799 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.561 15.425 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.610 15.047 6.017 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.233 17.737 1.668 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.582 17.530 0.268 1.00 0.00 C ATOM 1457 C ALA A 94 -2.729 16.430 -0.354 1.00 0.00 C ATOM 1458 O ALA A 94 -3.251 15.420 -0.827 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.424 18.827 -0.512 1.00 0.00 C ATOM 0 H ALA A 94 -2.652 18.557 1.841 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.624 17.215 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.688 18.658 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.081 19.588 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.390 19.166 -0.449 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.416 16.632 -0.350 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.491 15.656 -0.914 1.00 0.00 C ATOM 1467 C ILE A 95 0.479 15.143 0.144 1.00 0.00 C ATOM 1468 O ILE A 95 1.192 15.910 0.792 1.00 0.00 O ATOM 1469 CB ILE A 95 0.312 16.253 -2.085 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.625 16.630 -3.235 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.369 15.267 -2.559 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.462 15.474 -3.737 1.00 0.00 C ATOM 0 H ILE A 95 -0.968 17.463 0.037 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.094 14.826 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 95 0.814 17.156 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.287 17.431 -2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.033 17.025 -4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.928 15.703 -3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.051 15.042 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.886 14.348 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.102 15.815 -4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.807 14.680 -4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.081 15.093 -2.925 1.00 0.00 H new ATOM 1484 N PRO A 96 0.511 13.814 0.324 1.00 0.00 N ATOM 1485 CA PRO A 96 1.392 13.168 1.301 1.00 0.00 C ATOM 1486 C PRO A 96 2.860 13.247 0.898 1.00 0.00 C ATOM 1487 O PRO A 96 3.194 13.755 -0.172 1.00 0.00 O ATOM 1488 CB PRO A 96 0.915 11.714 1.302 1.00 0.00 C ATOM 1489 CG PRO A 96 0.297 11.517 -0.040 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.312 12.840 -0.414 1.00 0.00 C ATOM 0 HA PRO A 96 1.339 13.649 2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.745 11.025 1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.194 11.534 2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.044 11.210 -0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.460 10.734 -0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.271 13.012 -1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.361 12.897 -0.122 1.00 0.00 H new ATOM 1498 N ASP A 97 3.734 12.740 1.762 1.00 0.00 N ATOM 1499 CA ASP A 97 5.167 12.752 1.495 1.00 0.00 C ATOM 1500 C ASP A 97 5.599 11.470 0.789 1.00 0.00 C ATOM 1501 O ASP A 97 5.760 10.425 1.420 1.00 0.00 O ATOM 1502 CB ASP A 97 5.949 12.919 2.799 1.00 0.00 C ATOM 1503 CG ASP A 97 6.078 14.371 3.214 1.00 0.00 C ATOM 1504 OD1 ASP A 97 6.897 15.092 2.607 1.00 0.00 O ATOM 1505 OD2 ASP A 97 5.358 14.787 4.146 1.00 0.00 O ATOM 0 H ASP A 97 3.474 12.316 2.653 1.00 0.00 H new ATOM 0 HA ASP A 97 5.383 13.596 0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.452 12.360 3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.943 12.488 2.681 1.00 0.00 H new ATOM 1510 N LYS A 98 5.784 11.557 -0.524 1.00 0.00 N ATOM 1511 CA LYS A 98 6.197 10.405 -1.317 1.00 0.00 C ATOM 1512 C LYS A 98 7.181 9.535 -0.541 1.00 0.00 C ATOM 1513 O LYS A 98 7.026 8.315 -0.472 1.00 0.00 O ATOM 1514 CB LYS A 98 6.834 10.866 -2.630 1.00 0.00 C ATOM 1515 CG LYS A 98 6.947 9.765 -3.670 1.00 0.00 C ATOM 1516 CD LYS A 98 7.720 10.230 -4.892 1.00 0.00 C ATOM 1517 CE LYS A 98 9.217 10.024 -4.717 1.00 0.00 C ATOM 1518 NZ LYS A 98 9.871 11.208 -4.094 1.00 0.00 N ATOM 0 H LYS A 98 5.654 12.414 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 98 5.310 9.811 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.244 11.685 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.828 11.262 -2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.443 8.899 -3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.950 9.443 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.377 9.684 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.516 11.285 -5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.393 9.144 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.672 9.826 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.638 11.545 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.170 11.966 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.263 10.941 -3.168 1.00 0.00 H new ATOM 1532 N LEU A 99 8.191 10.170 0.043 1.00 0.00 N ATOM 1533 CA LEU A 99 9.200 9.453 0.816 1.00 0.00 C ATOM 1534 C LEU A 99 8.551 8.607 1.907 1.00 0.00 C ATOM 1535 O LEU A 99 8.759 7.395 1.975 1.00 0.00 O ATOM 1536 CB LEU A 99 10.188 10.440 1.441 1.00 0.00 C ATOM 1537 CG LEU A 99 10.811 11.460 0.487 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.329 12.664 1.258 1.00 0.00 C ATOM 1539 CD2 LEU A 99 11.931 10.820 -0.321 1.00 0.00 C ATOM 0 H LEU A 99 8.333 11.179 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 99 9.737 8.789 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.676 10.982 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.992 9.872 1.909 1.00 0.00 H new ATOM 0 HG LEU A 99 10.040 11.801 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.769 13.379 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.504 13.137 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.086 12.340 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.363 11.560 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.702 10.451 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.531 9.990 -0.903 1.00 0.00 H new ATOM 1551 N THR A 100 7.761 9.254 2.759 1.00 0.00 N ATOM 1552 CA THR A 100 7.080 8.562 3.846 1.00 0.00 C ATOM 1553 C THR A 100 6.310 7.351 3.330 1.00 0.00 C ATOM 1554 O THR A 100 6.580 6.217 3.725 1.00 0.00 O ATOM 1555 CB THR A 100 6.107 9.498 4.586 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.773 10.714 4.944 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.556 8.828 5.836 1.00 0.00 C ATOM 0 H THR A 100 7.577 10.256 2.717 1.00 0.00 H new ATOM 0 HA THR A 100 7.851 8.230 4.541 1.00 0.00 H new ATOM 0 HB THR A 100 5.276 9.723 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.147 11.304 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.871 9.509 6.342 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.024 7.919 5.557 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.378 8.576 6.506 1.00 0.00 H new ATOM 1565 N VAL A 101 5.350 7.600 2.445 1.00 0.00 N ATOM 1566 CA VAL A 101 4.542 6.530 1.873 1.00 0.00 C ATOM 1567 C VAL A 101 5.419 5.401 1.344 1.00 0.00 C ATOM 1568 O VAL A 101 5.315 4.259 1.791 1.00 0.00 O ATOM 1569 CB VAL A 101 3.650 7.050 0.730 1.00 0.00 C ATOM 1570 CG1 VAL A 101 2.844 5.913 0.121 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.733 8.155 1.231 1.00 0.00 C ATOM 0 H VAL A 101 5.113 8.533 2.109 1.00 0.00 H new ATOM 0 HA VAL A 101 3.909 6.149 2.674 1.00 0.00 H new ATOM 0 HB VAL A 101 4.291 7.465 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.220 6.300 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.523 5.158 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.211 5.465 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.110 8.511 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.098 7.767 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.333 8.980 1.615 1.00 0.00 H new ATOM 1581 N MET A 102 6.284 5.728 0.390 1.00 0.00 N ATOM 1582 CA MET A 102 7.182 4.741 -0.199 1.00 0.00 C ATOM 1583 C MET A 102 7.862 3.911 0.885 1.00 0.00 C ATOM 1584 O MET A 102 7.947 2.686 0.783 1.00 0.00 O ATOM 1585 CB MET A 102 8.236 5.431 -1.066 1.00 0.00 C ATOM 1586 CG MET A 102 7.713 5.872 -2.423 1.00 0.00 C ATOM 1587 SD MET A 102 9.034 6.329 -3.562 1.00 0.00 S ATOM 1588 CE MET A 102 9.479 4.726 -4.225 1.00 0.00 C ATOM 0 H MET A 102 6.382 6.669 0.008 1.00 0.00 H new ATOM 0 HA MET A 102 6.589 4.074 -0.825 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.620 6.301 -0.533 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.075 4.751 -1.213 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.124 5.066 -2.861 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.042 6.721 -2.291 1.00 0.00 H new ATOM 0 HE1 MET A 102 9.928 4.852 -5.210 1.00 0.00 H new ATOM 0 HE2 MET A 102 10.194 4.243 -3.559 1.00 0.00 H new ATOM 0 HE3 MET A 102 8.586 4.107 -4.310 1.00 0.00 H new ATOM 1598 N THR A 103 8.347 4.584 1.924 1.00 0.00 N ATOM 1599 CA THR A 103 9.021 3.909 3.025 1.00 0.00 C ATOM 1600 C THR A 103 8.136 2.826 3.631 1.00 0.00 C ATOM 1601 O THR A 103 8.517 1.656 3.682 1.00 0.00 O ATOM 1602 CB THR A 103 9.426 4.903 4.130 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.307 5.897 3.597 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.106 4.182 5.284 1.00 0.00 C ATOM 0 H THR A 103 8.285 5.597 2.025 1.00 0.00 H new ATOM 0 HA THR A 103 9.919 3.451 2.612 1.00 0.00 H new ATOM 0 HB THR A 103 8.522 5.383 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.782 6.592 3.148 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.383 4.904 6.052 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.422 3.447 5.707 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.001 3.678 4.921 1.00 0.00 H new ATOM 1612 N TYR A 104 6.953 3.222 4.087 1.00 0.00 N ATOM 1613 CA TYR A 104 6.014 2.284 4.691 1.00 0.00 C ATOM 1614 C TYR A 104 5.786 1.080 3.782 1.00 0.00 C ATOM 1615 O TYR A 104 6.037 -0.062 4.170 1.00 0.00 O ATOM 1616 CB TYR A 104 4.682 2.979 4.979 1.00 0.00 C ATOM 1617 CG TYR A 104 3.636 2.062 5.572 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.906 1.313 6.711 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.378 1.944 4.994 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.954 0.473 7.256 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.420 1.108 5.532 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.712 0.374 6.663 1.00 0.00 C ATOM 1623 OH TYR A 104 0.761 -0.461 7.203 1.00 0.00 O ATOM 0 H TYR A 104 6.621 4.186 4.050 1.00 0.00 H new ATOM 0 HA TYR A 104 6.443 1.932 5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.856 3.809 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.296 3.405 4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.877 1.389 7.178 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.145 2.516 4.108 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.181 -0.103 8.141 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.447 1.029 5.070 1.00 0.00 H new ATOM 0 HH TYR A 104 0.311 -0.952 6.484 1.00 0.00 H new ATOM 1633 N LEU A 105 5.309 1.344 2.571 1.00 0.00 N ATOM 1634 CA LEU A 105 5.047 0.283 1.604 1.00 0.00 C ATOM 1635 C LEU A 105 6.142 -0.778 1.650 1.00 0.00 C ATOM 1636 O LEU A 105 5.871 -1.954 1.894 1.00 0.00 O ATOM 1637 CB LEU A 105 4.945 0.865 0.193 1.00 0.00 C ATOM 1638 CG LEU A 105 3.554 1.324 -0.244 1.00 0.00 C ATOM 1639 CD1 LEU A 105 3.634 2.103 -1.547 1.00 0.00 C ATOM 1640 CD2 LEU A 105 2.620 0.131 -0.390 1.00 0.00 C ATOM 0 H LEU A 105 5.096 2.283 2.235 1.00 0.00 H new ATOM 0 HA LEU A 105 4.099 -0.187 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.625 1.714 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.297 0.114 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 105 3.152 1.983 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.634 2.422 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.268 2.979 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.057 1.468 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.634 0.477 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.018 -0.553 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.538 -0.386 0.566 1.00 0.00 H new ATOM 1652 N TYR A 106 7.379 -0.355 1.417 1.00 0.00 N ATOM 1653 CA TYR A 106 8.515 -1.269 1.432 1.00 0.00 C ATOM 1654 C TYR A 106 8.349 -2.327 2.518 1.00 0.00 C ATOM 1655 O TYR A 106 8.609 -3.508 2.293 1.00 0.00 O ATOM 1656 CB TYR A 106 9.816 -0.495 1.652 1.00 0.00 C ATOM 1657 CG TYR A 106 10.370 0.131 0.392 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.624 -0.640 -0.736 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.638 1.493 0.329 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.131 -0.073 -1.889 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.144 2.069 -0.820 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.389 1.282 -1.926 1.00 0.00 C ATOM 1663 OH TYR A 106 11.892 1.851 -3.074 1.00 0.00 O ATOM 0 H TYR A 106 7.621 0.615 1.215 1.00 0.00 H new ATOM 0 HA TYR A 106 8.558 -1.771 0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.643 0.288 2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.563 -1.169 2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.422 -1.701 -0.711 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.447 2.112 1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.324 -0.687 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.347 3.129 -0.852 1.00 0.00 H new ATOM 0 HH TYR A 106 12.016 2.813 -2.935 1.00 0.00 H new ATOM 1673 N GLN A 107 7.914 -1.893 3.696 1.00 0.00 N ATOM 1674 CA GLN A 107 7.713 -2.802 4.818 1.00 0.00 C ATOM 1675 C GLN A 107 6.840 -3.984 4.411 1.00 0.00 C ATOM 1676 O GLN A 107 7.257 -5.139 4.510 1.00 0.00 O ATOM 1677 CB GLN A 107 7.073 -2.061 5.994 1.00 0.00 C ATOM 1678 CG GLN A 107 7.910 -0.903 6.511 1.00 0.00 C ATOM 1679 CD GLN A 107 9.142 -1.364 7.266 1.00 0.00 C ATOM 1680 OE1 GLN A 107 10.259 -1.296 6.755 1.00 0.00 O ATOM 1681 NE2 GLN A 107 8.943 -1.836 8.491 1.00 0.00 N ATOM 0 H GLN A 107 7.694 -0.918 3.898 1.00 0.00 H new ATOM 0 HA GLN A 107 8.688 -3.182 5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.097 -1.685 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.902 -2.766 6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.216 -0.278 5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.299 -0.282 7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.999 -1.874 8.876 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.734 -2.160 9.047 1.00 0.00 H new ATOM 1690 N ILE A 108 5.628 -3.689 3.953 1.00 0.00 N ATOM 1691 CA ILE A 108 4.698 -4.728 3.531 1.00 0.00 C ATOM 1692 C ILE A 108 5.344 -5.665 2.516 1.00 0.00 C ATOM 1693 O ILE A 108 5.373 -6.880 2.709 1.00 0.00 O ATOM 1694 CB ILE A 108 3.421 -4.124 2.916 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.649 -3.327 3.969 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.547 -5.221 2.328 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.064 -1.875 4.053 1.00 0.00 C ATOM 0 H ILE A 108 5.268 -2.739 3.865 1.00 0.00 H new ATOM 0 HA ILE A 108 4.430 -5.293 4.424 1.00 0.00 H new ATOM 0 HB ILE A 108 3.708 -3.445 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.584 -3.379 3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.792 -3.794 4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.649 -4.779 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.100 -5.749 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.265 -5.922 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.475 -1.372 4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.122 -1.813 4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.895 -1.392 3.091 1.00 0.00 H new ATOM 1709 N ARG A 109 5.861 -5.090 1.435 1.00 0.00 N ATOM 1710 CA ARG A 109 6.507 -5.874 0.389 1.00 0.00 C ATOM 1711 C ARG A 109 7.620 -6.743 0.969 1.00 0.00 C ATOM 1712 O ARG A 109 7.867 -7.850 0.494 1.00 0.00 O ATOM 1713 CB ARG A 109 7.077 -4.952 -0.691 1.00 0.00 C ATOM 1714 CG ARG A 109 7.953 -5.669 -1.705 1.00 0.00 C ATOM 1715 CD ARG A 109 9.020 -4.745 -2.271 1.00 0.00 C ATOM 1716 NE ARG A 109 10.229 -5.472 -2.648 1.00 0.00 N ATOM 1717 CZ ARG A 109 11.173 -5.827 -1.783 1.00 0.00 C ATOM 1718 NH1 ARG A 109 11.047 -5.524 -0.499 1.00 0.00 N ATOM 1719 NH2 ARG A 109 12.245 -6.487 -2.203 1.00 0.00 N ATOM 0 H ARG A 109 5.845 -4.085 1.261 1.00 0.00 H new ATOM 0 HA ARG A 109 5.756 -6.525 -0.058 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.253 -4.467 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.659 -4.164 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.428 -6.529 -1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.334 -6.052 -2.516 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.623 -4.224 -3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.270 -3.984 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 109 10.356 -5.721 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.224 -5.017 -0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.773 -5.798 0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.345 -6.722 -3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.969 -6.759 -1.538 1.00 0.00 H new ATOM 1733 N ALA A 110 8.286 -6.231 1.999 1.00 0.00 N ATOM 1734 CA ALA A 110 9.371 -6.960 2.644 1.00 0.00 C ATOM 1735 C ALA A 110 8.842 -8.175 3.400 1.00 0.00 C ATOM 1736 O ALA A 110 9.335 -9.290 3.227 1.00 0.00 O ATOM 1737 CB ALA A 110 10.137 -6.043 3.586 1.00 0.00 C ATOM 0 H ALA A 110 8.093 -5.315 2.404 1.00 0.00 H new ATOM 0 HA ALA A 110 10.050 -7.314 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 110 10.944 -6.601 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.555 -5.209 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.461 -5.661 4.351 1.00 0.00 H new ATOM 1743 N HIS A 111 7.836 -7.951 4.240 1.00 0.00 N ATOM 1744 CA HIS A 111 7.240 -9.028 5.023 1.00 0.00 C ATOM 1745 C HIS A 111 6.616 -10.081 4.113 1.00 0.00 C ATOM 1746 O HIS A 111 6.887 -11.274 4.248 1.00 0.00 O ATOM 1747 CB HIS A 111 6.183 -8.469 5.976 1.00 0.00 C ATOM 1748 CG HIS A 111 6.632 -7.250 6.721 1.00 0.00 C ATOM 1749 ND1 HIS A 111 7.723 -7.243 7.565 1.00 0.00 N ATOM 1750 CD2 HIS A 111 6.133 -5.992 6.743 1.00 0.00 C ATOM 1751 CE1 HIS A 111 7.873 -6.033 8.075 1.00 0.00 C ATOM 1752 NE2 HIS A 111 6.922 -5.256 7.592 1.00 0.00 N ATOM 0 H HIS A 111 7.417 -7.034 4.396 1.00 0.00 H new ATOM 0 HA HIS A 111 8.031 -9.500 5.606 1.00 0.00 H new ATOM 0 HB2 HIS A 111 5.285 -8.227 5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.907 -9.242 6.693 1.00 0.00 H new ATOM 0 HD1 HIS A 111 8.320 -8.046 7.764 1.00 0.00 H new ATOM 0 HD2 HIS A 111 5.274 -5.634 6.195 1.00 0.00 H new ATOM 0 HE1 HIS A 111 8.643 -5.731 8.769 1.00 0.00 H new ATOM 1761 N PHE A 112 5.778 -9.631 3.184 1.00 0.00 N ATOM 1762 CA PHE A 112 5.113 -10.534 2.252 1.00 0.00 C ATOM 1763 C PHE A 112 6.130 -11.244 1.364 1.00 0.00 C ATOM 1764 O PHE A 112 6.149 -12.472 1.281 1.00 0.00 O ATOM 1765 CB PHE A 112 4.113 -9.764 1.388 1.00 0.00 C ATOM 1766 CG PHE A 112 2.835 -9.429 2.102 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.841 -8.578 3.197 1.00 0.00 C ATOM 1768 CD2 PHE A 112 1.629 -9.963 1.680 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.667 -8.269 3.857 1.00 0.00 C ATOM 1770 CE2 PHE A 112 0.451 -9.657 2.336 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.470 -8.808 3.425 1.00 0.00 C ATOM 0 H PHE A 112 5.544 -8.646 3.057 1.00 0.00 H new ATOM 0 HA PHE A 112 4.577 -11.285 2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.579 -8.841 1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.880 -10.355 0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.773 -8.152 3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.608 -10.627 0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.685 -7.607 4.710 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.483 -10.081 1.997 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.449 -8.566 3.938 1.00 0.00 H new