USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 694 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 52 GLN : amide:sc= -1.41! K(o=-1.4!,f=0.41) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -5.03! C(o=-5!,f=-2.1!) USER MOD Single : A 32 THR OG1 : rot 90:sc= 1.33 USER MOD Single : A 34 HIS : no HE2:sc= -11.8! C(o=-12!,f=-12!) USER MOD Single : A 35 ASN : amide:sc= -2.08! C(o=-2.1!,f=-5.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.2 K(o=-0.2,f=-0.7) USER MOD Single : A 40 SER OG : rot 180:sc= -0.272 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 33:sc= 0.508 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= -0.087 (180deg=-0.576) USER MOD Single : A 53 GLN : amide:sc= -0.502 K(o=-0.5,f=-5.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -1.49 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 171:sc= 0.411 (180deg=0.385) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 30:sc= -0.144 USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= -8.38! (180deg=-9.43!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -165:sc= -1.35 (180deg=-1.98) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0718 K(o=-0.072,f=-0.62) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 13 -12.482 -4.766 1.776 1.00 0.00 N ATOM 148 CA GLU A 13 -12.909 -4.095 2.988 1.00 0.00 C ATOM 149 C GLU A 13 -12.210 -2.748 3.110 1.00 0.00 C ATOM 150 O GLU A 13 -11.087 -2.669 3.602 1.00 0.00 O ATOM 151 CB GLU A 13 -12.594 -4.977 4.193 1.00 0.00 C ATOM 152 CG GLU A 13 -13.764 -5.924 4.449 1.00 0.00 C ATOM 153 CD GLU A 13 -14.243 -5.819 5.889 1.00 0.00 C ATOM 154 OE1 GLU A 13 -13.417 -6.101 6.785 1.00 0.00 O ATOM 155 OE2 GLU A 13 -15.426 -5.458 6.069 1.00 0.00 O ATOM 0 HA GLU A 13 -13.984 -3.920 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.683 -5.548 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.413 -4.359 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.584 -5.687 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.460 -6.949 4.236 1.00 0.00 H new ATOM 162 N PRO A 14 -12.881 -1.686 2.657 1.00 0.00 N ATOM 163 CA PRO A 14 -12.378 -0.329 2.691 1.00 0.00 C ATOM 164 C PRO A 14 -12.392 0.185 4.124 1.00 0.00 C ATOM 165 O PRO A 14 -13.358 -0.029 4.853 1.00 0.00 O ATOM 166 CB PRO A 14 -13.343 0.467 1.815 1.00 0.00 C ATOM 167 CG PRO A 14 -14.660 -0.288 1.988 1.00 0.00 C ATOM 168 CD PRO A 14 -14.203 -1.743 2.071 1.00 0.00 C ATOM 0 HA PRO A 14 -11.351 -0.247 2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.425 1.503 2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.022 0.486 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.190 0.022 2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.335 -0.123 1.148 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.882 -2.336 2.684 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.178 -2.206 1.085 1.00 0.00 H new ATOM 176 N VAL A 15 -11.314 0.861 4.527 1.00 0.00 N ATOM 177 CA VAL A 15 -11.206 1.400 5.868 1.00 0.00 C ATOM 178 C VAL A 15 -10.404 2.692 5.842 1.00 0.00 C ATOM 179 O VAL A 15 -9.557 2.883 4.971 1.00 0.00 O ATOM 180 CB VAL A 15 -10.541 0.368 6.777 1.00 0.00 C ATOM 181 CG1 VAL A 15 -10.632 0.834 8.226 1.00 0.00 C ATOM 182 CG2 VAL A 15 -11.251 -0.973 6.627 1.00 0.00 C ATOM 0 H VAL A 15 -10.504 1.044 3.934 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.200 1.622 6.257 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.493 0.257 6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.158 0.098 8.875 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.124 1.793 8.332 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.679 0.945 8.507 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.777 -1.710 7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.299 -0.863 6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.185 -1.306 5.591 1.00 0.00 H new ATOM 192 N GLY A 16 -10.674 3.584 6.799 1.00 0.00 N ATOM 193 CA GLY A 16 -9.975 4.851 6.876 1.00 0.00 C ATOM 194 C GLY A 16 -9.465 5.086 8.291 1.00 0.00 C ATOM 195 O GLY A 16 -9.152 4.138 9.008 1.00 0.00 O ATOM 0 H GLY A 16 -11.374 3.444 7.528 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.140 4.857 6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.643 5.661 6.583 1.00 0.00 H new ATOM 199 N ASN A 17 -9.380 6.357 8.691 1.00 0.00 N ATOM 200 CA ASN A 17 -8.909 6.711 10.014 1.00 0.00 C ATOM 201 C ASN A 17 -7.590 6.007 10.301 1.00 0.00 C ATOM 202 O ASN A 17 -7.575 4.895 10.824 1.00 0.00 O ATOM 203 CB ASN A 17 -9.964 6.323 11.048 1.00 0.00 C ATOM 204 CG ASN A 17 -11.036 7.398 11.159 1.00 0.00 C ATOM 205 OD1 ASN A 17 -10.867 8.371 11.889 1.00 0.00 O ATOM 206 ND2 ASN A 17 -12.139 7.220 10.430 1.00 0.00 N ATOM 0 H ASN A 17 -9.635 7.154 8.108 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.742 7.787 10.068 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.422 5.374 10.768 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.491 6.174 12.018 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.890 7.910 10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.232 6.394 9.839 1.00 0.00 H new ATOM 213 N GLU A 18 -6.478 6.661 9.955 1.00 0.00 N ATOM 214 CA GLU A 18 -5.163 6.097 10.177 1.00 0.00 C ATOM 215 C GLU A 18 -4.928 5.897 11.668 1.00 0.00 C ATOM 216 O GLU A 18 -5.525 5.017 12.282 1.00 0.00 O ATOM 217 CB GLU A 18 -4.106 7.023 9.583 1.00 0.00 C ATOM 218 CG GLU A 18 -4.382 8.458 10.021 1.00 0.00 C ATOM 219 CD GLU A 18 -3.191 9.357 9.722 1.00 0.00 C ATOM 220 OE1 GLU A 18 -2.057 8.899 9.976 1.00 0.00 O ATOM 221 OE2 GLU A 18 -3.438 10.487 9.246 1.00 0.00 O ATOM 0 H GLU A 18 -6.472 7.583 9.520 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.095 5.126 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.113 6.716 9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.118 6.955 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.266 8.836 9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.601 8.481 11.089 1.00 0.00 H new ATOM 228 N ASN A 19 -4.053 6.721 12.250 1.00 0.00 N ATOM 229 CA ASN A 19 -3.745 6.633 13.663 1.00 0.00 C ATOM 230 C ASN A 19 -3.092 5.293 13.970 1.00 0.00 C ATOM 231 O ASN A 19 -2.387 5.154 14.966 1.00 0.00 O ATOM 232 CB ASN A 19 -5.027 6.808 14.472 1.00 0.00 C ATOM 233 CG ASN A 19 -4.923 8.009 15.402 1.00 0.00 C ATOM 234 OD1 ASN A 19 -4.955 7.857 16.621 1.00 0.00 O ATOM 235 ND2 ASN A 19 -4.797 9.204 14.823 1.00 0.00 N ATOM 0 H ASN A 19 -3.548 7.456 11.755 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.046 7.423 13.936 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.873 6.938 13.797 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.220 5.907 15.055 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.722 10.044 15.397 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.775 9.278 13.806 1.00 0.00 H new ATOM 242 N ASP A 20 -3.328 4.303 13.105 1.00 0.00 N ATOM 243 CA ASP A 20 -2.765 2.980 13.286 1.00 0.00 C ATOM 244 C ASP A 20 -1.413 2.898 12.591 1.00 0.00 C ATOM 245 O ASP A 20 -1.346 2.598 11.398 1.00 0.00 O ATOM 246 CB ASP A 20 -3.728 1.938 12.724 1.00 0.00 C ATOM 247 CG ASP A 20 -5.117 2.101 13.324 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.223 1.947 14.560 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.047 2.377 12.535 1.00 0.00 O ATOM 0 H ASP A 20 -3.908 4.402 12.272 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.618 2.783 14.348 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.782 2.035 11.640 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.351 0.937 12.936 1.00 0.00 H new ATOM 254 N LEU A 21 -0.341 3.163 13.335 1.00 0.00 N ATOM 255 CA LEU A 21 1.017 3.131 12.789 1.00 0.00 C ATOM 256 C LEU A 21 1.215 1.967 11.816 1.00 0.00 C ATOM 257 O LEU A 21 1.872 2.116 10.785 1.00 0.00 O ATOM 258 CB LEU A 21 2.028 3.032 13.934 1.00 0.00 C ATOM 259 CG LEU A 21 1.971 1.715 14.737 1.00 0.00 C ATOM 260 CD1 LEU A 21 3.314 1.408 15.394 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.870 1.768 15.791 1.00 0.00 C ATOM 0 H LEU A 21 -0.386 3.404 14.325 1.00 0.00 H new ATOM 0 HA LEU A 21 1.175 4.054 12.232 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.032 3.148 13.525 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.864 3.865 14.618 1.00 0.00 H new ATOM 0 HG LEU A 21 1.743 0.913 14.035 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.241 0.474 15.952 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.081 1.313 14.626 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.580 2.217 16.074 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.850 0.829 16.344 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.065 2.590 16.480 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.093 1.923 15.304 1.00 0.00 H new ATOM 273 N HIS A 22 0.643 0.809 12.162 1.00 0.00 N ATOM 274 CA HIS A 22 0.735 -0.395 11.334 1.00 0.00 C ATOM 275 C HIS A 22 0.370 -0.072 9.874 1.00 0.00 C ATOM 276 O HIS A 22 1.210 -0.242 8.989 1.00 0.00 O ATOM 277 CB HIS A 22 -0.168 -1.499 11.896 1.00 0.00 C ATOM 278 CG HIS A 22 -0.300 -2.677 10.980 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.213 -3.982 11.416 1.00 0.00 N ATOM 280 CD2 HIS A 22 -0.504 -2.743 9.642 1.00 0.00 C ATOM 281 CE1 HIS A 22 -0.357 -4.800 10.388 1.00 0.00 C ATOM 282 NE2 HIS A 22 -0.535 -4.074 9.302 1.00 0.00 N ATOM 0 H HIS A 22 0.106 0.681 13.020 1.00 0.00 H new ATOM 0 HA HIS A 22 1.763 -0.756 11.353 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.232 -1.834 12.853 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.158 -1.086 12.091 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.620 -1.906 8.969 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.333 -5.879 10.430 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.673 -4.441 8.361 1.00 0.00 H new ATOM 291 N LEU A 23 -0.863 0.372 9.629 1.00 0.00 N ATOM 292 CA LEU A 23 -1.328 0.686 8.278 1.00 0.00 C ATOM 293 C LEU A 23 -0.420 1.701 7.581 1.00 0.00 C ATOM 294 O LEU A 23 0.110 1.443 6.502 1.00 0.00 O ATOM 295 CB LEU A 23 -2.761 1.222 8.339 1.00 0.00 C ATOM 296 CG LEU A 23 -3.724 0.397 9.218 1.00 0.00 C ATOM 297 CD1 LEU A 23 -5.129 0.366 8.620 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.205 -1.022 9.412 1.00 0.00 C ATOM 0 H LEU A 23 -1.563 0.523 10.355 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.300 -0.234 7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.736 2.245 8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.162 1.264 7.326 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.776 0.884 10.192 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.785 -0.223 9.262 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.514 1.383 8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.092 -0.084 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.902 -1.582 10.035 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.111 -1.511 8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.230 -0.989 9.898 1.00 0.00 H new ATOM 310 N VAL A 24 -0.250 2.864 8.212 1.00 0.00 N ATOM 311 CA VAL A 24 0.579 3.919 7.664 1.00 0.00 C ATOM 312 C VAL A 24 1.962 3.370 7.340 1.00 0.00 C ATOM 313 O VAL A 24 2.559 3.743 6.334 1.00 0.00 O ATOM 314 CB VAL A 24 0.673 5.065 8.668 1.00 0.00 C ATOM 315 CG1 VAL A 24 1.998 5.798 8.480 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.482 6.036 8.440 1.00 0.00 C ATOM 0 H VAL A 24 -0.682 3.092 9.108 1.00 0.00 H new ATOM 0 HA VAL A 24 0.134 4.297 6.743 1.00 0.00 H new ATOM 0 HB VAL A 24 0.619 4.667 9.681 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.066 6.617 9.197 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.823 5.105 8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.053 6.197 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.416 6.855 9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.427 6.435 7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.429 5.513 8.573 1.00 0.00 H new ATOM 326 N ASP A 25 2.470 2.482 8.198 1.00 0.00 N ATOM 327 CA ASP A 25 3.776 1.889 7.999 1.00 0.00 C ATOM 328 C ASP A 25 3.883 1.341 6.584 1.00 0.00 C ATOM 329 O ASP A 25 4.892 1.554 5.910 1.00 0.00 O ATOM 330 CB ASP A 25 3.992 0.781 9.027 1.00 0.00 C ATOM 331 CG ASP A 25 5.439 0.311 9.024 1.00 0.00 C ATOM 332 OD1 ASP A 25 5.883 -0.156 7.952 1.00 0.00 O ATOM 333 OD2 ASP A 25 6.076 0.429 10.093 1.00 0.00 O ATOM 0 H ASP A 25 1.987 2.163 9.038 1.00 0.00 H new ATOM 0 HA ASP A 25 4.549 2.646 8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.725 1.144 10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.332 -0.058 8.807 1.00 0.00 H new ATOM 338 N LEU A 26 2.845 0.636 6.135 1.00 0.00 N ATOM 339 CA LEU A 26 2.821 0.044 4.798 1.00 0.00 C ATOM 340 C LEU A 26 2.995 1.097 3.701 1.00 0.00 C ATOM 341 O LEU A 26 3.833 0.956 2.813 1.00 0.00 O ATOM 342 CB LEU A 26 1.504 -0.711 4.593 1.00 0.00 C ATOM 343 CG LEU A 26 1.203 -1.788 5.655 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.922 -3.143 5.008 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.353 -1.910 6.649 1.00 0.00 C ATOM 0 H LEU A 26 2.003 0.460 6.683 1.00 0.00 H new ATOM 0 HA LEU A 26 3.661 -0.647 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.686 0.009 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.522 -1.184 3.611 1.00 0.00 H new ATOM 0 HG LEU A 26 0.309 -1.474 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.714 -3.880 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.060 -3.059 4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.792 -3.458 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.116 -2.676 7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.264 -2.187 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.502 -0.955 7.152 1.00 0.00 H new ATOM 357 N ALA A 27 2.185 2.154 3.772 1.00 0.00 N ATOM 358 CA ALA A 27 2.236 3.225 2.796 1.00 0.00 C ATOM 359 C ALA A 27 3.591 3.914 2.858 1.00 0.00 C ATOM 360 O ALA A 27 4.253 4.080 1.835 1.00 0.00 O ATOM 361 CB ALA A 27 1.111 4.218 3.072 1.00 0.00 C ATOM 0 H ALA A 27 1.485 2.285 4.502 1.00 0.00 H new ATOM 0 HA ALA A 27 2.104 2.816 1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.149 5.024 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.150 3.708 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.229 4.633 4.073 1.00 0.00 H new ATOM 367 N ARG A 28 4.005 4.315 4.062 1.00 0.00 N ATOM 368 CA ARG A 28 5.276 4.983 4.252 1.00 0.00 C ATOM 369 C ARG A 28 6.413 4.051 3.858 1.00 0.00 C ATOM 370 O ARG A 28 7.495 4.507 3.493 1.00 0.00 O ATOM 371 CB ARG A 28 5.411 5.415 5.709 1.00 0.00 C ATOM 372 CG ARG A 28 4.841 6.821 5.879 1.00 0.00 C ATOM 373 CD ARG A 28 5.969 7.787 6.228 1.00 0.00 C ATOM 374 NE ARG A 28 6.480 8.455 5.030 1.00 0.00 N ATOM 375 CZ ARG A 28 7.249 9.551 5.083 1.00 0.00 C ATOM 376 NH1 ARG A 28 7.581 10.080 6.268 1.00 0.00 N ATOM 377 NH2 ARG A 28 7.686 10.118 3.949 1.00 0.00 N ATOM 0 H ARG A 28 3.468 4.183 4.919 1.00 0.00 H new ATOM 0 HA ARG A 28 5.323 5.869 3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.882 4.716 6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.459 5.397 6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.347 7.138 4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.086 6.827 6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.608 8.532 6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.777 7.245 6.719 1.00 0.00 H new ATOM 0 HE ARG A 28 6.241 8.070 4.116 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.248 9.648 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.166 10.914 6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.433 9.715 3.047 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.271 10.952 3.989 1.00 0.00 H new ATOM 391 N PHE A 29 6.165 2.741 3.932 1.00 0.00 N ATOM 392 CA PHE A 29 7.168 1.755 3.583 1.00 0.00 C ATOM 393 C PHE A 29 7.381 1.745 2.076 1.00 0.00 C ATOM 394 O PHE A 29 8.516 1.709 1.608 1.00 0.00 O ATOM 395 CB PHE A 29 6.720 0.381 4.076 1.00 0.00 C ATOM 396 CG PHE A 29 7.484 -0.762 3.452 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.882 -0.714 3.380 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.795 -1.870 2.945 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.590 -1.774 2.803 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.503 -2.931 2.368 1.00 0.00 C ATOM 401 CZ PHE A 29 8.901 -2.883 2.296 1.00 0.00 C ATOM 0 H PHE A 29 5.273 2.347 4.232 1.00 0.00 H new ATOM 0 HA PHE A 29 8.115 2.008 4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.836 0.337 5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.658 0.256 3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.414 0.141 3.770 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.717 -1.906 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.668 -1.737 2.749 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.971 -3.786 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.447 -3.701 1.850 1.00 0.00 H new ATOM 411 N ALA A 30 6.284 1.778 1.317 1.00 0.00 N ATOM 412 CA ALA A 30 6.354 1.772 -0.130 1.00 0.00 C ATOM 413 C ALA A 30 7.263 2.897 -0.606 1.00 0.00 C ATOM 414 O ALA A 30 8.324 2.644 -1.171 1.00 0.00 O ATOM 415 CB ALA A 30 4.951 1.928 -0.708 1.00 0.00 C ATOM 0 H ALA A 30 5.336 1.809 1.691 1.00 0.00 H new ATOM 0 HA ALA A 30 6.770 0.825 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.003 1.924 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.325 1.102 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.521 2.870 -0.369 1.00 0.00 H new ATOM 421 N VAL A 31 6.840 4.143 -0.377 1.00 0.00 N ATOM 422 CA VAL A 31 7.615 5.299 -0.783 1.00 0.00 C ATOM 423 C VAL A 31 9.074 5.100 -0.403 1.00 0.00 C ATOM 424 O VAL A 31 9.971 5.498 -1.142 1.00 0.00 O ATOM 425 CB VAL A 31 7.048 6.549 -0.117 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.794 7.779 -0.624 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.566 6.678 -0.457 1.00 0.00 C ATOM 0 H VAL A 31 5.961 4.368 0.089 1.00 0.00 H new ATOM 0 HA VAL A 31 7.555 5.421 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 31 7.168 6.471 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.389 8.672 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.853 7.688 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.674 7.858 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.160 7.571 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.446 6.756 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.032 5.799 -0.095 1.00 0.00 H new ATOM 437 N THR A 32 9.312 4.481 0.756 1.00 0.00 N ATOM 438 CA THR A 32 10.661 4.233 1.225 1.00 0.00 C ATOM 439 C THR A 32 11.346 3.217 0.322 1.00 0.00 C ATOM 440 O THR A 32 12.254 3.561 -0.430 1.00 0.00 O ATOM 441 CB THR A 32 10.613 3.731 2.665 1.00 0.00 C ATOM 442 OG1 THR A 32 10.188 4.775 3.512 1.00 0.00 O ATOM 443 CG2 THR A 32 12.005 3.268 3.088 1.00 0.00 C ATOM 0 H THR A 32 8.580 4.145 1.382 1.00 0.00 H new ATOM 0 HA THR A 32 11.235 5.159 1.195 1.00 0.00 H new ATOM 0 HB THR A 32 9.915 2.897 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.211 4.759 3.587 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.972 2.909 4.117 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.335 2.462 2.433 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.703 4.102 3.017 1.00 0.00 H new ATOM 451 N GLU A 33 10.904 1.959 0.398 1.00 0.00 N ATOM 452 CA GLU A 33 11.474 0.901 -0.411 1.00 0.00 C ATOM 453 C GLU A 33 11.691 1.396 -1.834 1.00 0.00 C ATOM 454 O GLU A 33 12.703 1.070 -2.454 1.00 0.00 O ATOM 455 CB GLU A 33 10.543 -0.308 -0.395 1.00 0.00 C ATOM 456 CG GLU A 33 11.173 -1.446 -1.191 1.00 0.00 C ATOM 457 CD GLU A 33 11.989 -2.357 -0.285 1.00 0.00 C ATOM 458 OE1 GLU A 33 11.390 -3.323 0.237 1.00 0.00 O ATOM 459 OE2 GLU A 33 13.195 -2.071 -0.130 1.00 0.00 O ATOM 0 H GLU A 33 10.151 1.657 1.016 1.00 0.00 H new ATOM 0 HA GLU A 33 12.440 0.606 -0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.360 -0.626 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.577 -0.042 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.393 -2.024 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.813 -1.037 -1.973 1.00 0.00 H new ATOM 466 N HIS A 34 10.738 2.182 -2.346 1.00 0.00 N ATOM 467 CA HIS A 34 10.817 2.742 -3.696 1.00 0.00 C ATOM 468 C HIS A 34 11.951 3.780 -3.782 1.00 0.00 C ATOM 469 O HIS A 34 12.775 3.703 -4.690 1.00 0.00 O ATOM 470 CB HIS A 34 9.472 3.361 -4.097 1.00 0.00 C ATOM 471 CG HIS A 34 9.399 3.724 -5.549 1.00 0.00 C ATOM 472 ND1 HIS A 34 8.265 3.544 -6.312 1.00 0.00 N ATOM 473 CD2 HIS A 34 10.331 4.249 -6.380 1.00 0.00 C ATOM 474 CE1 HIS A 34 8.501 3.941 -7.550 1.00 0.00 C ATOM 475 NE2 HIS A 34 9.745 4.376 -7.617 1.00 0.00 N ATOM 0 H HIS A 34 9.894 2.446 -1.837 1.00 0.00 H new ATOM 0 HA HIS A 34 11.042 1.938 -4.396 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.672 2.658 -3.864 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.297 4.254 -3.497 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.381 3.164 -5.974 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.344 4.517 -6.120 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.796 3.914 -8.368 1.00 0.00 H new ATOM 484 N ASN A 35 11.979 4.742 -2.856 1.00 0.00 N ATOM 485 CA ASN A 35 12.997 5.773 -2.858 1.00 0.00 C ATOM 486 C ASN A 35 14.355 5.163 -2.541 1.00 0.00 C ATOM 487 O ASN A 35 15.389 5.787 -2.769 1.00 0.00 O ATOM 488 CB ASN A 35 12.634 6.845 -1.835 1.00 0.00 C ATOM 489 CG ASN A 35 11.476 7.699 -2.329 1.00 0.00 C ATOM 490 OD1 ASN A 35 10.754 7.300 -3.240 1.00 0.00 O ATOM 491 ND2 ASN A 35 11.298 8.876 -1.725 1.00 0.00 N ATOM 0 H ASN A 35 11.302 4.821 -2.097 1.00 0.00 H new ATOM 0 HA ASN A 35 13.051 6.232 -3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.366 6.374 -0.889 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.501 7.477 -1.642 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.536 9.488 -2.015 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.924 9.163 -0.973 1.00 0.00 H new ATOM 498 N LYS A 36 14.349 3.936 -2.013 1.00 0.00 N ATOM 499 CA LYS A 36 15.578 3.248 -1.669 1.00 0.00 C ATOM 500 C LYS A 36 16.276 2.772 -2.934 1.00 0.00 C ATOM 501 O LYS A 36 17.478 2.971 -3.096 1.00 0.00 O ATOM 502 CB LYS A 36 15.259 2.071 -0.751 1.00 0.00 C ATOM 503 CG LYS A 36 14.830 2.594 0.616 1.00 0.00 C ATOM 504 CD LYS A 36 16.057 2.755 1.508 1.00 0.00 C ATOM 505 CE LYS A 36 15.821 2.039 2.835 1.00 0.00 C ATOM 506 NZ LYS A 36 16.786 0.945 3.024 1.00 0.00 N ATOM 0 H LYS A 36 13.500 3.405 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 36 16.247 3.931 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.466 1.462 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 36 16.134 1.429 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.319 3.550 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.122 1.904 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.936 2.344 1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.256 3.812 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.907 2.750 3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.806 1.642 2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.604 0.475 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.685 0.256 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.752 1.330 3.021 1.00 0.00 H new ATOM 520 N LYS A 37 15.518 2.140 -3.834 1.00 0.00 N ATOM 521 CA LYS A 37 16.067 1.640 -5.078 1.00 0.00 C ATOM 522 C LYS A 37 15.999 2.721 -6.147 1.00 0.00 C ATOM 523 O LYS A 37 17.009 3.056 -6.761 1.00 0.00 O ATOM 524 CB LYS A 37 15.292 0.399 -5.512 1.00 0.00 C ATOM 525 CG LYS A 37 13.810 0.745 -5.635 1.00 0.00 C ATOM 526 CD LYS A 37 13.376 0.613 -7.092 1.00 0.00 C ATOM 527 CE LYS A 37 12.120 -0.251 -7.173 1.00 0.00 C ATOM 528 NZ LYS A 37 12.467 -1.666 -7.378 1.00 0.00 N ATOM 0 H LYS A 37 14.520 1.967 -3.715 1.00 0.00 H new ATOM 0 HA LYS A 37 17.113 1.368 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.672 0.034 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.431 -0.402 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.217 0.081 -5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.632 1.761 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.180 1.598 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.176 0.166 -7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.541 -0.144 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.488 0.095 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.597 -2.233 -7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.000 -1.768 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.050 -1.999 -6.584 1.00 0.00 H new ATOM 542 N ALA A 38 14.801 3.267 -6.367 1.00 0.00 N ATOM 543 CA ALA A 38 14.605 4.305 -7.358 1.00 0.00 C ATOM 544 C ALA A 38 15.325 5.574 -6.926 1.00 0.00 C ATOM 545 O ALA A 38 14.996 6.665 -7.387 1.00 0.00 O ATOM 546 CB ALA A 38 13.110 4.564 -7.534 1.00 0.00 C ATOM 0 H ALA A 38 13.954 3.000 -5.865 1.00 0.00 H new ATOM 0 HA ALA A 38 15.020 3.984 -8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.961 5.345 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.619 3.649 -7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.682 4.883 -6.584 1.00 0.00 H new ATOM 552 N ASN A 39 16.310 5.429 -6.038 1.00 0.00 N ATOM 553 CA ASN A 39 17.069 6.563 -5.549 1.00 0.00 C ATOM 554 C ASN A 39 16.133 7.725 -5.251 1.00 0.00 C ATOM 555 O ASN A 39 16.464 8.879 -5.517 1.00 0.00 O ATOM 556 CB ASN A 39 18.111 6.962 -6.590 1.00 0.00 C ATOM 557 CG ASN A 39 19.486 6.426 -6.217 1.00 0.00 C ATOM 558 OD1 ASN A 39 19.890 6.502 -5.058 1.00 0.00 O ATOM 559 ND2 ASN A 39 20.204 5.880 -7.201 1.00 0.00 N ATOM 0 H ASN A 39 16.595 4.531 -5.647 1.00 0.00 H new ATOM 0 HA ASN A 39 17.580 6.291 -4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.820 6.578 -7.568 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.150 8.048 -6.673 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.131 5.503 -7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.825 5.840 -8.147 1.00 0.00 H new ATOM 566 N SER A 40 14.959 7.418 -4.695 1.00 0.00 N ATOM 567 CA SER A 40 13.982 8.435 -4.363 1.00 0.00 C ATOM 568 C SER A 40 13.426 9.055 -5.637 1.00 0.00 C ATOM 569 O SER A 40 14.143 9.182 -6.630 1.00 0.00 O ATOM 570 CB SER A 40 14.635 9.499 -3.484 1.00 0.00 C ATOM 571 OG SER A 40 15.652 8.906 -2.707 1.00 0.00 O ATOM 0 H SER A 40 14.669 6.467 -4.468 1.00 0.00 H new ATOM 0 HA SER A 40 13.156 7.984 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.052 10.293 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.889 9.959 -2.836 1.00 0.00 H new ATOM 0 HG SER A 40 16.073 9.588 -2.143 1.00 0.00 H new ATOM 577 N LEU A 41 12.151 9.440 -5.606 1.00 0.00 N ATOM 578 CA LEU A 41 11.487 10.040 -6.763 1.00 0.00 C ATOM 579 C LEU A 41 10.236 10.826 -6.363 1.00 0.00 C ATOM 580 O LEU A 41 9.676 11.576 -7.162 1.00 0.00 O ATOM 581 CB LEU A 41 11.118 8.946 -7.768 1.00 0.00 C ATOM 582 CG LEU A 41 9.752 8.271 -7.517 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.617 6.979 -8.319 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.548 7.992 -6.033 1.00 0.00 C ATOM 0 H LEU A 41 11.553 9.346 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 41 12.183 10.744 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.116 9.377 -8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.894 8.181 -7.752 1.00 0.00 H new ATOM 0 HG LEU A 41 8.979 8.963 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.645 6.528 -8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.704 7.200 -9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.405 6.285 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.579 7.516 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.337 7.330 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.582 8.930 -5.478 1.00 0.00 H new ATOM 596 N LEU A 42 9.804 10.638 -5.115 1.00 0.00 N ATOM 597 CA LEU A 42 8.612 11.305 -4.594 1.00 0.00 C ATOM 598 C LEU A 42 8.756 11.660 -3.112 1.00 0.00 C ATOM 599 O LEU A 42 9.541 11.052 -2.386 1.00 0.00 O ATOM 600 CB LEU A 42 7.388 10.408 -4.798 1.00 0.00 C ATOM 601 CG LEU A 42 7.037 10.116 -6.272 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.487 8.703 -6.442 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.039 11.137 -6.806 1.00 0.00 C ATOM 0 H LEU A 42 10.266 10.025 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 42 8.485 12.237 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.560 9.461 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.528 10.877 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 42 7.958 10.194 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.250 8.529 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.234 7.980 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.584 8.589 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.808 10.910 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.125 11.096 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.470 12.136 -6.740 1.00 0.00 H new ATOM 615 N GLU A 43 7.990 12.662 -2.672 1.00 0.00 N ATOM 616 CA GLU A 43 8.030 13.102 -1.292 1.00 0.00 C ATOM 617 C GLU A 43 6.671 12.890 -0.639 1.00 0.00 C ATOM 618 O GLU A 43 5.839 13.795 -0.620 1.00 0.00 O ATOM 619 CB GLU A 43 8.430 14.574 -1.242 1.00 0.00 C ATOM 620 CG GLU A 43 8.540 15.022 0.213 1.00 0.00 C ATOM 621 CD GLU A 43 9.462 16.226 0.343 1.00 0.00 C ATOM 622 OE1 GLU A 43 9.171 17.238 -0.331 1.00 0.00 O ATOM 623 OE2 GLU A 43 10.439 16.111 1.112 1.00 0.00 O ATOM 0 H GLU A 43 7.336 13.179 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 43 8.768 12.517 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.382 14.721 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.691 15.181 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.551 15.273 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.919 14.202 0.823 1.00 0.00 H new ATOM 630 N PHE A 44 6.449 11.689 -0.101 1.00 0.00 N ATOM 631 CA PHE A 44 5.196 11.364 0.549 1.00 0.00 C ATOM 632 C PHE A 44 4.736 12.539 1.400 1.00 0.00 C ATOM 633 O PHE A 44 5.521 13.106 2.159 1.00 0.00 O ATOM 634 CB PHE A 44 5.378 10.114 1.406 1.00 0.00 C ATOM 635 CG PHE A 44 4.193 9.813 2.292 1.00 0.00 C ATOM 636 CD1 PHE A 44 4.052 10.471 3.521 1.00 0.00 C ATOM 637 CD2 PHE A 44 3.236 8.875 1.886 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.955 10.190 4.343 1.00 0.00 C ATOM 639 CE2 PHE A 44 2.138 8.594 2.709 1.00 0.00 C ATOM 640 CZ PHE A 44 1.998 9.251 3.938 1.00 0.00 C ATOM 0 H PHE A 44 7.129 10.929 -0.107 1.00 0.00 H new ATOM 0 HA PHE A 44 4.432 11.165 -0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.560 9.260 0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.265 10.236 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.790 11.195 3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.344 8.368 0.938 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.846 10.697 5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.399 7.871 2.396 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.152 9.034 4.573 1.00 0.00 H new ATOM 650 N GLU A 45 3.459 12.907 1.273 1.00 0.00 N ATOM 651 CA GLU A 45 2.904 14.011 2.030 1.00 0.00 C ATOM 652 C GLU A 45 2.122 13.480 3.223 1.00 0.00 C ATOM 653 O GLU A 45 2.288 13.960 4.343 1.00 0.00 O ATOM 654 CB GLU A 45 2.006 14.847 1.123 1.00 0.00 C ATOM 655 CG GLU A 45 1.088 15.716 1.978 1.00 0.00 C ATOM 656 CD GLU A 45 1.024 17.136 1.436 1.00 0.00 C ATOM 657 OE1 GLU A 45 2.098 17.769 1.374 1.00 0.00 O ATOM 658 OE2 GLU A 45 -0.101 17.562 1.092 1.00 0.00 O ATOM 0 H GLU A 45 2.795 12.449 0.649 1.00 0.00 H new ATOM 0 HA GLU A 45 3.711 14.642 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.613 15.474 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.413 14.196 0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.087 15.285 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.449 15.731 3.006 1.00 0.00 H new ATOM 665 N LYS A 46 1.265 12.485 2.980 1.00 0.00 N ATOM 666 CA LYS A 46 0.463 11.895 4.033 1.00 0.00 C ATOM 667 C LYS A 46 -0.327 10.715 3.483 1.00 0.00 C ATOM 668 O LYS A 46 -0.084 10.273 2.360 1.00 0.00 O ATOM 669 CB LYS A 46 -0.475 12.952 4.610 1.00 0.00 C ATOM 670 CG LYS A 46 -1.520 13.328 3.565 1.00 0.00 C ATOM 671 CD LYS A 46 -2.879 13.497 4.240 1.00 0.00 C ATOM 672 CE LYS A 46 -3.063 14.954 4.654 1.00 0.00 C ATOM 673 NZ LYS A 46 -4.097 15.081 5.692 1.00 0.00 N ATOM 0 H LYS A 46 1.115 12.076 2.058 1.00 0.00 H new ATOM 0 HA LYS A 46 1.113 11.531 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.963 12.570 5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.092 13.834 4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.233 14.253 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.577 12.556 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.675 13.198 3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.947 12.848 5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.119 15.352 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.340 15.550 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.203 16.081 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.002 14.722 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.818 14.530 6.529 1.00 0.00 H new ATOM 687 N LEU A 47 -1.271 10.209 4.276 1.00 0.00 N ATOM 688 CA LEU A 47 -2.097 9.069 3.878 1.00 0.00 C ATOM 689 C LEU A 47 -3.592 9.382 3.975 1.00 0.00 C ATOM 690 O LEU A 47 -4.053 9.987 4.941 1.00 0.00 O ATOM 691 CB LEU A 47 -1.759 7.860 4.755 1.00 0.00 C ATOM 692 CG LEU A 47 -2.942 6.908 5.030 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.247 6.038 3.814 1.00 0.00 C ATOM 694 CD2 LEU A 47 -2.666 6.033 6.246 1.00 0.00 C ATOM 0 H LEU A 47 -1.484 10.574 5.204 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.877 8.846 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.959 7.294 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.370 8.218 5.708 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.816 7.525 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.085 5.378 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.503 6.674 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.371 5.439 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.515 5.371 6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.771 5.437 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.514 6.664 7.122 1.00 0.00 H new ATOM 706 N VAL A 48 -4.344 8.965 2.953 1.00 0.00 N ATOM 707 CA VAL A 48 -5.773 9.198 2.911 1.00 0.00 C ATOM 708 C VAL A 48 -6.502 8.055 3.603 1.00 0.00 C ATOM 709 O VAL A 48 -7.125 8.253 4.643 1.00 0.00 O ATOM 710 CB VAL A 48 -6.223 9.327 1.458 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.540 10.098 1.400 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.160 10.076 0.661 1.00 0.00 C ATOM 0 H VAL A 48 -3.976 8.463 2.145 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.011 10.124 3.435 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.364 8.334 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.862 10.191 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.300 9.563 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.399 11.091 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.481 10.168 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.019 11.069 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.220 9.526 0.702 1.00 0.00 H new ATOM 722 N SER A 49 -6.423 6.856 3.021 1.00 0.00 N ATOM 723 CA SER A 49 -7.073 5.691 3.585 1.00 0.00 C ATOM 724 C SER A 49 -6.372 4.427 3.107 1.00 0.00 C ATOM 725 O SER A 49 -5.372 4.499 2.396 1.00 0.00 O ATOM 726 CB SER A 49 -8.543 5.681 3.175 1.00 0.00 C ATOM 727 OG SER A 49 -9.304 6.374 4.139 1.00 0.00 O ATOM 0 H SER A 49 -5.912 6.676 2.157 1.00 0.00 H new ATOM 0 HA SER A 49 -7.013 5.727 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.662 6.148 2.197 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.899 4.655 3.084 1.00 0.00 H new ATOM 0 HG SER A 49 -8.769 7.104 4.515 1.00 0.00 H new ATOM 733 N VAL A 50 -6.901 3.265 3.500 1.00 0.00 N ATOM 734 CA VAL A 50 -6.327 1.993 3.111 1.00 0.00 C ATOM 735 C VAL A 50 -7.365 0.891 3.266 1.00 0.00 C ATOM 736 O VAL A 50 -8.158 0.910 4.206 1.00 0.00 O ATOM 737 CB VAL A 50 -5.100 1.705 3.972 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.446 1.923 5.442 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.659 0.260 3.762 1.00 0.00 C ATOM 0 H VAL A 50 -7.730 3.189 4.090 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.020 2.032 2.066 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.291 2.377 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.570 1.717 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.760 2.956 5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.256 1.252 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.783 0.054 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.468 -0.412 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.410 0.104 2.712 1.00 0.00 H new ATOM 749 N LYS A 51 -7.358 -0.072 2.341 1.00 0.00 N ATOM 750 CA LYS A 51 -8.298 -1.175 2.382 1.00 0.00 C ATOM 751 C LYS A 51 -7.579 -2.452 2.794 1.00 0.00 C ATOM 752 O LYS A 51 -6.421 -2.413 3.204 1.00 0.00 O ATOM 753 CB LYS A 51 -8.947 -1.338 1.011 1.00 0.00 C ATOM 754 CG LYS A 51 -9.745 -0.082 0.673 1.00 0.00 C ATOM 755 CD LYS A 51 -8.983 0.742 -0.360 1.00 0.00 C ATOM 756 CE LYS A 51 -9.734 2.045 -0.625 1.00 0.00 C ATOM 757 NZ LYS A 51 -9.821 2.862 0.595 1.00 0.00 N ATOM 0 H LYS A 51 -6.707 -0.103 1.556 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.076 -0.968 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.183 -1.511 0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.602 -2.209 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.726 -0.355 0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.912 0.509 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.977 0.956 0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.876 0.176 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.227 2.608 -1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.737 1.823 -0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.983 3.856 0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.609 2.524 1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.932 2.784 1.129 1.00 0.00 H new ATOM 771 N GLN A 52 -8.272 -3.588 2.683 1.00 0.00 N ATOM 772 CA GLN A 52 -7.699 -4.869 3.044 1.00 0.00 C ATOM 773 C GLN A 52 -8.452 -5.989 2.341 1.00 0.00 C ATOM 774 O GLN A 52 -9.680 -5.976 2.285 1.00 0.00 O ATOM 775 CB GLN A 52 -7.764 -5.044 4.560 1.00 0.00 C ATOM 776 CG GLN A 52 -9.209 -4.904 5.027 1.00 0.00 C ATOM 777 CD GLN A 52 -9.348 -5.304 6.489 1.00 0.00 C ATOM 778 OE1 GLN A 52 -10.145 -4.723 7.221 1.00 0.00 O ATOM 779 NE2 GLN A 52 -8.567 -6.302 6.913 1.00 0.00 N ATOM 0 H GLN A 52 -9.233 -3.637 2.344 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.656 -4.906 2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.373 -6.022 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.138 -4.298 5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.540 -3.874 4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.857 -5.529 4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.920 -6.754 6.266 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.618 -6.612 7.883 1.00 0.00 H new ATOM 788 N GLN A 53 -7.712 -6.960 1.801 1.00 0.00 N ATOM 789 CA GLN A 53 -8.311 -8.080 1.104 1.00 0.00 C ATOM 790 C GLN A 53 -7.763 -9.388 1.658 1.00 0.00 C ATOM 791 O GLN A 53 -6.685 -9.412 2.248 1.00 0.00 O ATOM 792 CB GLN A 53 -8.021 -7.962 -0.389 1.00 0.00 C ATOM 793 CG GLN A 53 -8.618 -9.161 -1.121 1.00 0.00 C ATOM 794 CD GLN A 53 -10.138 -9.105 -1.104 1.00 0.00 C ATOM 795 OE1 GLN A 53 -10.757 -9.304 -0.062 1.00 0.00 O ATOM 796 NE2 GLN A 53 -10.740 -8.834 -2.266 1.00 0.00 N ATOM 0 H GLN A 53 -6.693 -6.985 1.838 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.391 -8.070 1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.444 -7.037 -0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.945 -7.918 -0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.262 -9.177 -2.151 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.279 -10.085 -0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.182 -8.676 -3.105 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.758 -8.785 -2.314 1.00 0.00 H new ATOM 805 N VAL A 54 -8.509 -10.478 1.465 1.00 0.00 N ATOM 806 CA VAL A 54 -8.096 -11.782 1.945 1.00 0.00 C ATOM 807 C VAL A 54 -7.890 -12.722 0.766 1.00 0.00 C ATOM 808 O VAL A 54 -8.796 -12.918 -0.040 1.00 0.00 O ATOM 809 CB VAL A 54 -9.154 -12.332 2.897 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.515 -12.319 2.208 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.793 -13.763 3.286 1.00 0.00 C ATOM 0 H VAL A 54 -9.404 -10.474 0.977 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.153 -11.694 2.484 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.195 -11.712 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.271 -12.712 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.773 -11.297 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.475 -12.939 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.548 -14.157 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.752 -14.384 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.821 -13.772 3.779 1.00 0.00 H new ATOM 821 N VAL A 55 -6.693 -13.306 0.667 1.00 0.00 N ATOM 822 CA VAL A 55 -6.374 -14.221 -0.410 1.00 0.00 C ATOM 823 C VAL A 55 -5.266 -15.166 0.030 1.00 0.00 C ATOM 824 O VAL A 55 -5.435 -15.923 0.983 1.00 0.00 O ATOM 825 CB VAL A 55 -5.951 -13.427 -1.642 1.00 0.00 C ATOM 826 CG1 VAL A 55 -7.049 -12.432 -2.009 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.660 -12.672 -1.342 1.00 0.00 C ATOM 0 H VAL A 55 -5.931 -13.154 1.328 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.253 -14.815 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.787 -14.110 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.747 -11.865 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.972 -12.971 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.214 -11.749 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.357 -12.105 -2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.823 -11.989 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.875 -13.382 -1.081 1.00 0.00 H new ATOM 837 N ALA A 56 -4.130 -15.122 -0.670 1.00 0.00 N ATOM 838 CA ALA A 56 -3.002 -15.974 -0.350 1.00 0.00 C ATOM 839 C ALA A 56 -2.241 -15.398 0.836 1.00 0.00 C ATOM 840 O ALA A 56 -1.095 -15.768 1.081 1.00 0.00 O ATOM 841 CB ALA A 56 -2.093 -16.093 -1.570 1.00 0.00 C ATOM 0 H ALA A 56 -3.975 -14.500 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.357 -16.968 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.244 -16.734 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.652 -16.526 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.733 -15.104 -1.853 1.00 0.00 H new ATOM 847 N GLY A 57 -2.881 -14.488 1.572 1.00 0.00 N ATOM 848 CA GLY A 57 -2.260 -13.868 2.725 1.00 0.00 C ATOM 849 C GLY A 57 -3.104 -12.699 3.215 1.00 0.00 C ATOM 850 O GLY A 57 -4.313 -12.830 3.388 1.00 0.00 O ATOM 0 H GLY A 57 -3.831 -14.169 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.145 -14.602 3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.260 -13.520 2.465 1.00 0.00 H new ATOM 854 N THR A 58 -2.460 -11.551 3.439 1.00 0.00 N ATOM 855 CA THR A 58 -3.154 -10.368 3.906 1.00 0.00 C ATOM 856 C THR A 58 -2.798 -9.177 3.028 1.00 0.00 C ATOM 857 O THR A 58 -1.691 -8.645 3.117 1.00 0.00 O ATOM 858 CB THR A 58 -2.776 -10.099 5.359 1.00 0.00 C ATOM 859 OG1 THR A 58 -3.176 -11.190 6.159 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.477 -8.832 5.842 1.00 0.00 C ATOM 0 H THR A 58 -1.457 -11.424 3.302 1.00 0.00 H new ATOM 0 HA THR A 58 -4.231 -10.528 3.846 1.00 0.00 H new ATOM 0 HB THR A 58 -1.696 -9.969 5.434 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.932 -11.018 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.207 -8.640 6.880 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.169 -7.988 5.225 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.557 -8.962 5.766 1.00 0.00 H new ATOM 868 N LEU A 59 -3.739 -8.761 2.180 1.00 0.00 N ATOM 869 CA LEU A 59 -3.528 -7.635 1.270 1.00 0.00 C ATOM 870 C LEU A 59 -4.159 -6.346 1.798 1.00 0.00 C ATOM 871 O LEU A 59 -5.146 -6.374 2.531 1.00 0.00 O ATOM 872 CB LEU A 59 -4.106 -7.973 -0.107 1.00 0.00 C ATOM 873 CG LEU A 59 -3.383 -7.305 -1.296 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.637 -5.800 -1.323 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.886 -7.583 -1.248 1.00 0.00 C ATOM 0 H LEU A 59 -4.661 -9.191 2.104 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.454 -7.466 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.075 -9.054 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.155 -7.679 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.789 -7.737 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.115 -5.358 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.707 -5.613 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.271 -5.353 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.399 -7.102 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.472 -7.188 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.714 -8.658 -1.293 1.00 0.00 H new ATOM 887 N TYR A 60 -3.571 -5.208 1.419 1.00 0.00 N ATOM 888 CA TYR A 60 -4.061 -3.915 1.852 1.00 0.00 C ATOM 889 C TYR A 60 -3.866 -2.892 0.742 1.00 0.00 C ATOM 890 O TYR A 60 -2.770 -2.757 0.203 1.00 0.00 O ATOM 891 CB TYR A 60 -3.320 -3.489 3.115 1.00 0.00 C ATOM 892 CG TYR A 60 -3.987 -3.950 4.389 1.00 0.00 C ATOM 893 CD1 TYR A 60 -3.886 -5.289 4.786 1.00 0.00 C ATOM 894 CD2 TYR A 60 -4.705 -3.039 5.173 1.00 0.00 C ATOM 895 CE1 TYR A 60 -4.505 -5.716 5.967 1.00 0.00 C ATOM 896 CE2 TYR A 60 -5.322 -3.466 6.354 1.00 0.00 C ATOM 897 CZ TYR A 60 -5.222 -4.806 6.752 1.00 0.00 C ATOM 898 OH TYR A 60 -5.824 -5.222 7.903 1.00 0.00 O ATOM 0 H TYR A 60 -2.753 -5.166 0.811 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.126 -3.981 2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.305 -3.885 3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.238 -2.402 3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.331 -5.992 4.182 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.783 -2.006 4.866 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.429 -6.749 6.273 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.875 -2.763 6.959 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.279 -4.464 8.327 1.00 0.00 H new ATOM 908 N TYR A 61 -4.936 -2.169 0.400 1.00 0.00 N ATOM 909 CA TYR A 61 -4.877 -1.166 -0.643 1.00 0.00 C ATOM 910 C TYR A 61 -4.789 0.221 -0.021 1.00 0.00 C ATOM 911 O TYR A 61 -5.807 0.814 0.329 1.00 0.00 O ATOM 912 CB TYR A 61 -6.114 -1.283 -1.530 1.00 0.00 C ATOM 913 CG TYR A 61 -6.482 -2.709 -1.865 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.759 -3.619 -0.838 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.549 -3.119 -3.202 1.00 0.00 C ATOM 916 CE1 TYR A 61 -7.101 -4.941 -1.149 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.891 -4.440 -3.512 1.00 0.00 C ATOM 918 CZ TYR A 61 -7.167 -5.351 -2.485 1.00 0.00 C ATOM 919 OH TYR A 61 -7.501 -6.638 -2.788 1.00 0.00 O ATOM 0 H TYR A 61 -5.852 -2.267 0.838 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.990 -1.325 -1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.957 -0.807 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.941 -0.734 -2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.709 -3.302 0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.337 -2.416 -3.994 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.314 -5.644 -0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.942 -4.757 -4.543 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.502 -6.755 -3.761 1.00 0.00 H new ATOM 929 N PHE A 62 -3.565 0.738 0.117 1.00 0.00 N ATOM 930 CA PHE A 62 -3.352 2.049 0.695 1.00 0.00 C ATOM 931 C PHE A 62 -3.511 3.117 -0.377 1.00 0.00 C ATOM 932 O PHE A 62 -3.010 2.966 -1.490 1.00 0.00 O ATOM 933 CB PHE A 62 -1.961 2.109 1.317 1.00 0.00 C ATOM 934 CG PHE A 62 -1.801 1.214 2.524 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.456 -0.132 2.356 1.00 0.00 C ATOM 936 CD2 PHE A 62 -1.995 1.733 3.809 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.306 -0.960 3.476 1.00 0.00 C ATOM 938 CE2 PHE A 62 -1.845 0.905 4.928 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.500 -0.441 4.761 1.00 0.00 C ATOM 0 H PHE A 62 -2.710 0.260 -0.167 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.092 2.232 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.223 1.828 0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.745 3.138 1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.306 -0.532 1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.260 2.772 3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.041 -1.999 3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.996 1.305 5.920 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.383 -1.079 5.624 1.00 0.00 H new ATOM 949 N THR A 63 -4.211 4.204 -0.040 1.00 0.00 N ATOM 950 CA THR A 63 -4.428 5.290 -0.974 1.00 0.00 C ATOM 951 C THR A 63 -3.880 6.587 -0.399 1.00 0.00 C ATOM 952 O THR A 63 -4.635 7.415 0.107 1.00 0.00 O ATOM 953 CB THR A 63 -5.921 5.417 -1.266 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.449 4.145 -1.572 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.130 6.353 -2.452 1.00 0.00 C ATOM 0 H THR A 63 -4.634 4.347 0.877 1.00 0.00 H new ATOM 0 HA THR A 63 -3.903 5.081 -1.906 1.00 0.00 H new ATOM 0 HB THR A 63 -6.430 5.821 -0.391 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.408 4.225 -1.758 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.196 6.444 -2.661 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.721 7.336 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.622 5.949 -3.328 1.00 0.00 H new ATOM 963 N ILE A 64 -2.559 6.763 -0.477 1.00 0.00 N ATOM 964 CA ILE A 64 -1.912 7.956 0.031 1.00 0.00 C ATOM 965 C ILE A 64 -1.600 8.903 -1.119 1.00 0.00 C ATOM 966 O ILE A 64 -1.920 8.612 -2.269 1.00 0.00 O ATOM 967 CB ILE A 64 -0.637 7.565 0.773 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.544 7.596 -0.192 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.792 6.158 1.343 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.264 6.667 -1.369 1.00 0.00 C ATOM 0 H ILE A 64 -1.920 6.084 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.578 8.468 0.726 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.459 8.269 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.709 8.613 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.455 7.286 0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.118 5.878 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.635 6.136 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.970 5.454 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.108 6.689 -2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.120 5.650 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.637 6.997 -1.887 1.00 0.00 H new ATOM 982 N GLU A 65 -0.972 10.039 -0.806 1.00 0.00 N ATOM 983 CA GLU A 65 -0.620 11.018 -1.816 1.00 0.00 C ATOM 984 C GLU A 65 0.774 11.564 -1.545 1.00 0.00 C ATOM 985 O GLU A 65 1.127 11.839 -0.400 1.00 0.00 O ATOM 986 CB GLU A 65 -1.652 12.143 -1.812 1.00 0.00 C ATOM 987 CG GLU A 65 -1.061 13.376 -2.486 1.00 0.00 C ATOM 988 CD GLU A 65 -2.148 14.391 -2.811 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.705 14.955 -1.844 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.402 14.584 -4.020 1.00 0.00 O ATOM 0 H GLU A 65 -0.700 10.296 0.143 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.617 10.547 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.554 11.826 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.944 12.379 -0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.317 13.831 -1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.546 13.083 -3.401 1.00 0.00 H new ATOM 997 N VAL A 66 1.570 11.721 -2.607 1.00 0.00 N ATOM 998 CA VAL A 66 2.919 12.233 -2.482 1.00 0.00 C ATOM 999 C VAL A 66 3.126 13.382 -3.459 1.00 0.00 C ATOM 1000 O VAL A 66 2.648 13.332 -4.590 1.00 0.00 O ATOM 1001 CB VAL A 66 3.916 11.109 -2.751 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.358 9.796 -2.211 1.00 0.00 C ATOM 1003 CG2 VAL A 66 4.147 10.984 -4.255 1.00 0.00 C ATOM 0 H VAL A 66 1.293 11.497 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 66 3.078 12.608 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 66 4.861 11.334 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.069 8.992 -2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.192 9.885 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.414 9.571 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.859 10.182 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.203 10.759 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.545 11.923 -4.641 1.00 0.00 H new ATOM 1013 N LYS A 67 3.840 14.421 -3.019 1.00 0.00 N ATOM 1014 CA LYS A 67 4.105 15.574 -3.855 1.00 0.00 C ATOM 1015 C LYS A 67 5.296 15.294 -4.760 1.00 0.00 C ATOM 1016 O LYS A 67 6.418 15.135 -4.284 1.00 0.00 O ATOM 1017 CB LYS A 67 4.370 16.791 -2.973 1.00 0.00 C ATOM 1018 CG LYS A 67 5.533 16.492 -2.032 1.00 0.00 C ATOM 1019 CD LYS A 67 5.075 16.666 -0.585 1.00 0.00 C ATOM 1020 CE LYS A 67 5.263 18.120 -0.164 1.00 0.00 C ATOM 1021 NZ LYS A 67 6.468 18.279 0.664 1.00 0.00 N ATOM 0 H LYS A 67 4.242 14.479 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 67 3.238 15.779 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.602 17.658 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.477 17.039 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.892 15.475 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.367 17.161 -2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.028 16.380 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.647 16.009 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.340 18.751 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.388 18.457 0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.658 19.291 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.320 17.818 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.279 17.840 0.184 1.00 0.00 H new ATOM 1035 N GLU A 68 5.050 15.236 -6.071 1.00 0.00 N ATOM 1036 CA GLU A 68 6.102 14.978 -7.033 1.00 0.00 C ATOM 1037 C GLU A 68 6.691 16.293 -7.525 1.00 0.00 C ATOM 1038 O GLU A 68 6.021 17.061 -8.210 1.00 0.00 O ATOM 1039 CB GLU A 68 5.537 14.171 -8.198 1.00 0.00 C ATOM 1040 CG GLU A 68 6.400 14.391 -9.437 1.00 0.00 C ATOM 1041 CD GLU A 68 5.850 13.618 -10.626 1.00 0.00 C ATOM 1042 OE1 GLU A 68 4.794 14.043 -11.142 1.00 0.00 O ATOM 1043 OE2 GLU A 68 6.498 12.615 -10.999 1.00 0.00 O ATOM 0 H GLU A 68 4.126 15.366 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 68 6.898 14.403 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.513 13.112 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.509 14.474 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.437 15.454 -9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.423 14.074 -9.234 1.00 0.00 H new ATOM 1050 N GLY A 69 7.953 16.550 -7.171 1.00 0.00 N ATOM 1051 CA GLY A 69 8.624 17.769 -7.577 1.00 0.00 C ATOM 1052 C GLY A 69 7.770 18.980 -7.233 1.00 0.00 C ATOM 1053 O GLY A 69 7.698 19.386 -6.075 1.00 0.00 O ATOM 0 H GLY A 69 8.524 15.924 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.591 17.844 -7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.819 17.745 -8.649 1.00 0.00 H new ATOM 1057 N ASP A 70 7.121 19.559 -8.246 1.00 0.00 N ATOM 1058 CA ASP A 70 6.277 20.722 -8.049 1.00 0.00 C ATOM 1059 C ASP A 70 4.816 20.335 -8.238 1.00 0.00 C ATOM 1060 O ASP A 70 4.030 21.118 -8.766 1.00 0.00 O ATOM 1061 CB ASP A 70 6.679 21.815 -9.034 1.00 0.00 C ATOM 1062 CG ASP A 70 7.812 22.662 -8.474 1.00 0.00 C ATOM 1063 OD1 ASP A 70 8.935 22.119 -8.381 1.00 0.00 O ATOM 1064 OD2 ASP A 70 7.535 23.837 -8.148 1.00 0.00 O ATOM 0 H ASP A 70 7.169 19.234 -9.212 1.00 0.00 H new ATOM 0 HA ASP A 70 6.404 21.102 -7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.989 21.364 -9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.819 22.449 -9.251 1.00 0.00 H new ATOM 1069 N ALA A 71 4.457 19.124 -7.805 1.00 0.00 N ATOM 1070 CA ALA A 71 3.096 18.642 -7.931 1.00 0.00 C ATOM 1071 C ALA A 71 2.787 17.672 -6.799 1.00 0.00 C ATOM 1072 O ALA A 71 3.535 17.590 -5.827 1.00 0.00 O ATOM 1073 CB ALA A 71 2.921 17.964 -9.287 1.00 0.00 C ATOM 0 H ALA A 71 5.098 18.464 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 71 2.401 19.479 -7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.898 17.601 -9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.128 18.681 -10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.612 17.125 -9.366 1.00 0.00 H new ATOM 1079 N LYS A 72 1.681 16.937 -6.926 1.00 0.00 N ATOM 1080 CA LYS A 72 1.280 15.979 -5.916 1.00 0.00 C ATOM 1081 C LYS A 72 0.123 15.135 -6.431 1.00 0.00 C ATOM 1082 O LYS A 72 -0.835 15.663 -6.992 1.00 0.00 O ATOM 1083 CB LYS A 72 0.882 16.720 -4.643 1.00 0.00 C ATOM 1084 CG LYS A 72 0.503 15.711 -3.564 1.00 0.00 C ATOM 1085 CD LYS A 72 -0.159 16.437 -2.396 1.00 0.00 C ATOM 1086 CE LYS A 72 0.872 17.315 -1.693 1.00 0.00 C ATOM 1087 NZ LYS A 72 0.476 18.731 -1.733 1.00 0.00 N ATOM 0 H LYS A 72 1.050 16.994 -7.725 1.00 0.00 H new ATOM 0 HA LYS A 72 2.114 15.315 -5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.708 17.343 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.043 17.386 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.177 14.963 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.391 15.180 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.987 17.047 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.576 15.715 -1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.982 16.994 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.844 17.192 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.194 19.306 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.394 19.041 -2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.441 18.849 -1.257 1.00 0.00 H new ATOM 1101 N LYS A 73 0.213 13.817 -6.239 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.824 12.908 -6.685 1.00 0.00 C ATOM 1103 C LYS A 73 -0.938 11.738 -5.718 1.00 0.00 C ATOM 1104 O LYS A 73 -0.039 11.512 -4.906 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.498 12.416 -8.092 1.00 0.00 C ATOM 1106 CG LYS A 73 -0.018 13.589 -8.942 1.00 0.00 C ATOM 1107 CD LYS A 73 0.520 13.068 -10.272 1.00 0.00 C ATOM 1108 CE LYS A 73 -0.431 13.468 -11.396 1.00 0.00 C ATOM 1109 NZ LYS A 73 0.310 13.996 -12.552 1.00 0.00 N ATOM 0 H LYS A 73 1.000 13.362 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.782 13.428 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.271 11.645 -8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.380 11.962 -8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.839 14.285 -9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.760 14.140 -8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.514 13.475 -10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.622 11.983 -10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.021 12.604 -11.702 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.131 14.221 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.360 14.261 -13.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.854 14.834 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.960 13.267 -12.910 1.00 0.00 H new ATOM 1123 N LEU A 74 -2.042 10.997 -5.806 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.286 9.851 -4.931 1.00 0.00 C ATOM 1125 C LEU A 74 -1.789 8.542 -5.550 1.00 0.00 C ATOM 1126 O LEU A 74 -1.997 8.279 -6.732 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.782 9.748 -4.623 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.633 9.120 -5.748 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -6.095 8.991 -5.330 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.523 9.934 -7.032 1.00 0.00 C ATOM 0 H LEU A 74 -2.787 11.172 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.727 10.011 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.912 9.158 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.165 10.746 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.242 8.120 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.668 8.546 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.166 8.357 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.497 9.978 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.131 9.471 -7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.876 10.949 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.483 9.964 -7.355 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.122 7.724 -4.732 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.591 6.455 -5.188 1.00 0.00 C ATOM 1144 C TYR A 75 -1.192 5.319 -4.372 1.00 0.00 C ATOM 1145 O TYR A 75 -1.220 5.380 -3.145 1.00 0.00 O ATOM 1146 CB TYR A 75 0.930 6.466 -5.058 1.00 0.00 C ATOM 1147 CG TYR A 75 1.599 7.516 -5.915 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.193 8.852 -5.829 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.626 7.151 -6.793 1.00 0.00 C ATOM 1150 CE1 TYR A 75 1.813 9.825 -6.622 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.247 8.123 -7.587 1.00 0.00 C ATOM 1152 CZ TYR A 75 2.841 9.460 -7.501 1.00 0.00 C ATOM 1153 OH TYR A 75 3.446 10.407 -8.273 1.00 0.00 O ATOM 0 H TYR A 75 -0.941 7.927 -3.749 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.854 6.302 -6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.197 6.635 -4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.318 5.484 -5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.401 9.133 -5.151 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.940 6.120 -6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.499 10.856 -6.556 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.039 7.841 -8.265 1.00 0.00 H new ATOM 0 HH TYR A 75 3.428 11.269 -7.807 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.675 4.281 -5.058 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.272 3.139 -4.393 1.00 0.00 C ATOM 1165 C GLU A 76 -1.183 2.182 -3.929 1.00 0.00 C ATOM 1166 O GLU A 76 -0.744 1.320 -4.688 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.235 2.442 -5.349 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.843 3.469 -6.299 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.659 2.787 -7.387 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -4.029 2.125 -8.238 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -5.900 2.942 -7.347 1.00 0.00 O ATOM 0 H GLU A 76 -1.661 4.215 -6.076 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.828 3.473 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.709 1.674 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.023 1.940 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.478 4.156 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.051 4.064 -6.753 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.749 2.335 -2.676 1.00 0.00 N ATOM 1179 CA ALA A 77 0.284 1.486 -2.116 1.00 0.00 C ATOM 1180 C ALA A 77 -0.315 0.147 -1.707 1.00 0.00 C ATOM 1181 O ALA A 77 -1.153 0.088 -0.810 1.00 0.00 O ATOM 1182 CB ALA A 77 0.920 2.184 -0.918 1.00 0.00 C ATOM 0 H ALA A 77 -1.104 3.044 -2.034 1.00 0.00 H new ATOM 0 HA ALA A 77 1.056 1.302 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.697 1.547 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.360 3.128 -1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.158 2.376 -0.162 1.00 0.00 H new ATOM 1188 N LYS A 78 0.119 -0.929 -2.368 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.375 -2.257 -2.068 1.00 0.00 C ATOM 1190 C LYS A 78 0.712 -3.074 -1.384 1.00 0.00 C ATOM 1191 O LYS A 78 1.806 -3.230 -1.922 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.826 -2.934 -3.360 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.759 -1.998 -4.124 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.829 -1.461 -3.177 1.00 0.00 C ATOM 1195 CE LYS A 78 -3.630 -0.371 -3.883 1.00 0.00 C ATOM 1196 NZ LYS A 78 -3.846 0.783 -2.995 1.00 0.00 N ATOM 0 H LYS A 78 0.813 -0.897 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.226 -2.186 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.039 -3.184 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.337 -3.870 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.191 -1.173 -4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.226 -2.530 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.491 -2.268 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.365 -1.061 -2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.102 -0.050 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.591 -0.772 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.061 1.625 -3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.642 0.585 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.987 0.955 -2.435 1.00 0.00 H new ATOM 1210 N VAL A 79 0.409 -3.594 -0.193 1.00 0.00 N ATOM 1211 CA VAL A 79 1.357 -4.390 0.558 1.00 0.00 C ATOM 1212 C VAL A 79 0.770 -5.767 0.833 1.00 0.00 C ATOM 1213 O VAL A 79 -0.447 -5.928 0.881 1.00 0.00 O ATOM 1214 CB VAL A 79 1.697 -3.676 1.863 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.609 -4.563 2.706 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.409 -2.363 1.554 1.00 0.00 C ATOM 0 H VAL A 79 -0.493 -3.472 0.267 1.00 0.00 H new ATOM 0 HA VAL A 79 2.272 -4.516 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 79 0.779 -3.471 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.852 -4.053 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.101 -5.501 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.527 -4.769 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.652 -1.853 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.327 -2.568 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.758 -1.729 0.952 1.00 0.00 H new ATOM 1226 N TRP A 80 1.640 -6.763 1.016 1.00 0.00 N ATOM 1227 CA TRP A 80 1.202 -8.117 1.287 1.00 0.00 C ATOM 1228 C TRP A 80 1.956 -8.677 2.485 1.00 0.00 C ATOM 1229 O TRP A 80 3.080 -9.156 2.348 1.00 0.00 O ATOM 1230 CB TRP A 80 1.432 -8.982 0.052 1.00 0.00 C ATOM 1231 CG TRP A 80 0.690 -10.280 0.045 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.443 -10.535 0.734 1.00 0.00 C ATOM 1233 CD2 TRP A 80 1.005 -11.511 -0.675 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.848 -11.831 0.494 1.00 0.00 N ATOM 1235 CE2 TRP A 80 0.011 -12.480 -0.370 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.028 -11.909 -1.553 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 0.030 -13.771 -0.906 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.057 -13.202 -2.097 1.00 0.00 C ATOM 1239 CH2 TRP A 80 1.062 -14.133 -1.776 1.00 0.00 C ATOM 0 H TRP A 80 2.653 -6.648 0.980 1.00 0.00 H new ATOM 0 HA TRP A 80 0.138 -8.117 1.522 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.145 -8.412 -0.832 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.499 -9.190 -0.035 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.954 -9.832 1.375 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.679 -12.257 0.904 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.806 -11.207 -1.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.744 -14.480 -0.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.854 -13.482 -2.770 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.092 -15.126 -2.199 1.00 0.00 H new ATOM 1250 N GLU A 81 1.334 -8.614 3.664 1.00 0.00 N ATOM 1251 CA GLU A 81 1.948 -9.116 4.878 1.00 0.00 C ATOM 1252 C GLU A 81 1.250 -10.391 5.325 1.00 0.00 C ATOM 1253 O GLU A 81 0.164 -10.711 4.845 1.00 0.00 O ATOM 1254 CB GLU A 81 1.871 -8.046 5.964 1.00 0.00 C ATOM 1255 CG GLU A 81 0.516 -7.348 5.894 1.00 0.00 C ATOM 1256 CD GLU A 81 -0.300 -7.620 7.150 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.125 -6.850 8.118 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -1.084 -8.594 7.117 1.00 0.00 O ATOM 0 H GLU A 81 0.403 -8.218 3.796 1.00 0.00 H new ATOM 0 HA GLU A 81 2.996 -9.350 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.009 -8.499 6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.673 -7.320 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.661 -6.274 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.031 -7.695 5.018 1.00 0.00 H new ATOM 1265 N LYS A 82 1.876 -11.121 6.251 1.00 0.00 N ATOM 1266 CA LYS A 82 1.313 -12.356 6.759 1.00 0.00 C ATOM 1267 C LYS A 82 1.671 -12.522 8.229 1.00 0.00 C ATOM 1268 O LYS A 82 2.845 -12.647 8.575 1.00 0.00 O ATOM 1269 CB LYS A 82 1.838 -13.529 5.938 1.00 0.00 C ATOM 1270 CG LYS A 82 1.869 -13.144 4.462 1.00 0.00 C ATOM 1271 CD LYS A 82 2.698 -14.164 3.686 1.00 0.00 C ATOM 1272 CE LYS A 82 1.943 -14.577 2.425 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.833 -15.272 1.482 1.00 0.00 N ATOM 0 H LYS A 82 2.776 -10.870 6.660 1.00 0.00 H new ATOM 0 HA LYS A 82 0.227 -12.327 6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.838 -13.803 6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.202 -14.402 6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.855 -13.106 4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.296 -12.148 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.665 -13.737 3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.895 -15.037 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.110 -15.228 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.517 -13.695 1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.296 -15.542 0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.614 -14.640 1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.219 -16.125 1.934 1.00 0.00 H new ATOM 1287 N PRO A 83 0.656 -12.525 9.095 1.00 0.00 N ATOM 1288 CA PRO A 83 0.805 -12.675 10.527 1.00 0.00 C ATOM 1289 C PRO A 83 1.181 -14.112 10.855 1.00 0.00 C ATOM 1290 O PRO A 83 2.089 -14.355 11.647 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.565 -12.321 11.102 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.519 -12.739 9.984 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.735 -12.381 8.724 1.00 0.00 C ATOM 0 HA PRO A 83 1.589 -12.041 10.941 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.766 -12.859 12.028 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.647 -11.258 11.327 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.752 -13.803 10.027 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.466 -12.202 10.038 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.993 -13.042 7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.954 -11.364 8.399 1.00 0.00 H new ATOM 1301 N TRP A 84 0.478 -15.068 10.243 1.00 0.00 N ATOM 1302 CA TRP A 84 0.744 -16.474 10.474 1.00 0.00 C ATOM 1303 C TRP A 84 2.241 -16.737 10.404 1.00 0.00 C ATOM 1304 O TRP A 84 2.714 -17.783 10.843 1.00 0.00 O ATOM 1305 CB TRP A 84 -0.002 -17.309 9.437 1.00 0.00 C ATOM 1306 CG TRP A 84 0.582 -17.272 8.061 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.636 -18.005 7.640 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.168 -16.472 6.911 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.901 -17.716 6.318 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.024 -16.774 5.818 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.842 -15.522 6.680 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.887 -16.170 4.566 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.989 -14.908 5.428 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.129 -15.229 4.371 1.00 0.00 C ATOM 0 H TRP A 84 -0.279 -14.885 9.584 1.00 0.00 H new ATOM 0 HA TRP A 84 0.394 -16.755 11.467 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.029 -18.344 9.777 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.034 -16.963 9.387 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.187 -18.709 8.246 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.652 -18.145 5.777 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.517 -15.260 7.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.557 -16.426 3.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.773 -14.181 5.278 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.250 -14.752 3.409 1.00 0.00 H new ATOM 1325 N MET A 85 2.989 -15.782 9.847 1.00 0.00 N ATOM 1326 CA MET A 85 4.426 -15.915 9.719 1.00 0.00 C ATOM 1327 C MET A 85 5.091 -14.561 9.912 1.00 0.00 C ATOM 1328 O MET A 85 6.296 -14.421 9.710 1.00 0.00 O ATOM 1329 CB MET A 85 4.763 -16.492 8.347 1.00 0.00 C ATOM 1330 CG MET A 85 4.496 -15.440 7.274 1.00 0.00 C ATOM 1331 SD MET A 85 5.504 -15.639 5.784 1.00 0.00 S ATOM 1332 CE MET A 85 4.765 -17.159 5.134 1.00 0.00 C ATOM 0 H MET A 85 2.613 -14.908 9.479 1.00 0.00 H new ATOM 0 HA MET A 85 4.800 -16.593 10.486 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.808 -16.801 8.317 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.162 -17.381 8.157 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.443 -15.478 6.996 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.679 -14.451 7.695 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.418 -17.584 4.372 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.638 -17.877 5.944 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.794 -16.932 4.694 1.00 0.00 H new ATOM 1342 N ASP A 86 4.302 -13.559 10.305 1.00 0.00 N ATOM 1343 CA ASP A 86 4.815 -12.221 10.522 1.00 0.00 C ATOM 1344 C ASP A 86 5.758 -11.841 9.389 1.00 0.00 C ATOM 1345 O ASP A 86 6.974 -11.836 9.566 1.00 0.00 O ATOM 1346 CB ASP A 86 5.535 -12.165 11.866 1.00 0.00 C ATOM 1347 CG ASP A 86 4.700 -11.424 12.900 1.00 0.00 C ATOM 1348 OD1 ASP A 86 4.831 -10.182 12.950 1.00 0.00 O ATOM 1349 OD2 ASP A 86 3.947 -12.113 13.622 1.00 0.00 O ATOM 0 H ASP A 86 3.302 -13.658 10.478 1.00 0.00 H new ATOM 0 HA ASP A 86 3.990 -11.509 10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.740 -13.177 12.216 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.498 -11.668 11.747 1.00 0.00 H new ATOM 1354 N PHE A 87 5.194 -11.521 8.222 1.00 0.00 N ATOM 1355 CA PHE A 87 5.986 -11.143 7.070 1.00 0.00 C ATOM 1356 C PHE A 87 5.298 -10.012 6.318 1.00 0.00 C ATOM 1357 O PHE A 87 4.189 -9.616 6.667 1.00 0.00 O ATOM 1358 CB PHE A 87 6.177 -12.357 6.165 1.00 0.00 C ATOM 1359 CG PHE A 87 6.435 -11.998 4.721 1.00 0.00 C ATOM 1360 CD1 PHE A 87 5.360 -11.805 3.845 1.00 0.00 C ATOM 1361 CD2 PHE A 87 7.749 -11.860 4.257 1.00 0.00 C ATOM 1362 CE1 PHE A 87 5.599 -11.474 2.506 1.00 0.00 C ATOM 1363 CE2 PHE A 87 7.989 -11.528 2.918 1.00 0.00 C ATOM 1364 CZ PHE A 87 6.913 -11.336 2.043 1.00 0.00 C ATOM 0 H PHE A 87 4.187 -11.519 8.059 1.00 0.00 H new ATOM 0 HA PHE A 87 6.965 -10.792 7.397 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.012 -12.951 6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.288 -12.986 6.222 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.346 -11.911 4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.578 -12.010 4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.770 -11.325 1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 87 9.002 -11.420 2.561 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.097 -11.081 1.010 1.00 0.00 H new ATOM 1374 N LYS A 88 5.961 -9.493 5.282 1.00 0.00 N ATOM 1375 CA LYS A 88 5.410 -8.413 4.488 1.00 0.00 C ATOM 1376 C LYS A 88 6.365 -8.063 3.356 1.00 0.00 C ATOM 1377 O LYS A 88 7.575 -8.243 3.480 1.00 0.00 O ATOM 1378 CB LYS A 88 5.166 -7.200 5.381 1.00 0.00 C ATOM 1379 CG LYS A 88 6.501 -6.663 5.887 1.00 0.00 C ATOM 1380 CD LYS A 88 6.597 -5.170 5.585 1.00 0.00 C ATOM 1381 CE LYS A 88 7.618 -4.527 6.520 1.00 0.00 C ATOM 1382 NZ LYS A 88 8.991 -4.780 6.057 1.00 0.00 N ATOM 0 H LYS A 88 6.882 -9.810 4.980 1.00 0.00 H new ATOM 0 HA LYS A 88 4.461 -8.726 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.638 -6.426 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.531 -7.477 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.591 -6.834 6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.324 -7.195 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.891 -5.016 4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.623 -4.699 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.441 -3.453 6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.492 -4.922 7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.666 -4.332 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.165 -5.805 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.115 -4.382 5.104 1.00 0.00 H new ATOM 1396 N GLU A 89 5.817 -7.563 2.245 1.00 0.00 N ATOM 1397 CA GLU A 89 6.622 -7.192 1.099 1.00 0.00 C ATOM 1398 C GLU A 89 5.836 -6.251 0.196 1.00 0.00 C ATOM 1399 O GLU A 89 4.729 -6.578 -0.231 1.00 0.00 O ATOM 1400 CB GLU A 89 7.036 -8.450 0.341 1.00 0.00 C ATOM 1401 CG GLU A 89 8.204 -8.124 -0.587 1.00 0.00 C ATOM 1402 CD GLU A 89 9.310 -9.160 -0.451 1.00 0.00 C ATOM 1403 OE1 GLU A 89 9.083 -10.296 -0.921 1.00 0.00 O ATOM 1404 OE2 GLU A 89 10.361 -8.797 0.118 1.00 0.00 O ATOM 0 H GLU A 89 4.816 -7.409 2.124 1.00 0.00 H new ATOM 0 HA GLU A 89 7.520 -6.673 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.323 -9.233 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.195 -8.833 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.856 -8.091 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.596 -7.135 -0.351 1.00 0.00 H new ATOM 1411 N LEU A 90 6.413 -5.085 -0.095 1.00 0.00 N ATOM 1412 CA LEU A 90 5.766 -4.084 -0.942 1.00 0.00 C ATOM 1413 C LEU A 90 5.496 -4.614 -2.352 1.00 0.00 C ATOM 1414 O LEU A 90 6.385 -5.152 -3.010 1.00 0.00 O ATOM 1415 CB LEU A 90 6.641 -2.829 -1.015 1.00 0.00 C ATOM 1416 CG LEU A 90 5.933 -1.577 -1.574 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.183 -1.894 -2.865 1.00 0.00 C ATOM 1418 CD2 LEU A 90 4.979 -0.984 -0.544 1.00 0.00 C ATOM 0 H LEU A 90 7.334 -4.810 0.246 1.00 0.00 H new ATOM 0 HA LEU A 90 4.803 -3.841 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.012 -2.603 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.510 -3.045 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 90 6.704 -0.840 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.695 -0.992 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.886 -2.258 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.431 -2.659 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.493 -0.103 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.223 -1.724 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.537 -0.701 0.348 1.00 0.00 H new ATOM 1430 N GLN A 91 4.250 -4.459 -2.807 1.00 0.00 N ATOM 1431 CA GLN A 91 3.855 -4.920 -4.122 1.00 0.00 C ATOM 1432 C GLN A 91 3.988 -3.786 -5.130 1.00 0.00 C ATOM 1433 O GLN A 91 4.508 -3.982 -6.225 1.00 0.00 O ATOM 1434 CB GLN A 91 2.417 -5.430 -4.070 1.00 0.00 C ATOM 1435 CG GLN A 91 2.372 -6.748 -3.302 1.00 0.00 C ATOM 1436 CD GLN A 91 2.561 -7.931 -4.241 1.00 0.00 C ATOM 1437 OE1 GLN A 91 1.957 -7.979 -5.310 1.00 0.00 O ATOM 1438 NE2 GLN A 91 3.402 -8.887 -3.839 1.00 0.00 N ATOM 0 H GLN A 91 3.502 -4.015 -2.275 1.00 0.00 H new ATOM 0 HA GLN A 91 4.506 -5.736 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.776 -4.693 -3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.034 -5.572 -5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.151 -6.756 -2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.417 -6.839 -2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.880 -8.801 -2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.566 -9.703 -4.429 1.00 0.00 H new ATOM 1447 N GLU A 92 3.515 -2.596 -4.754 1.00 0.00 N ATOM 1448 CA GLU A 92 3.585 -1.439 -5.625 1.00 0.00 C ATOM 1449 C GLU A 92 2.648 -0.351 -5.120 1.00 0.00 C ATOM 1450 O GLU A 92 1.520 -0.632 -4.722 1.00 0.00 O ATOM 1451 CB GLU A 92 3.217 -1.852 -7.048 1.00 0.00 C ATOM 1452 CG GLU A 92 4.478 -1.894 -7.907 1.00 0.00 C ATOM 1453 CD GLU A 92 4.313 -2.867 -9.065 1.00 0.00 C ATOM 1454 OE1 GLU A 92 4.220 -4.080 -8.780 1.00 0.00 O ATOM 1455 OE2 GLU A 92 4.282 -2.378 -10.216 1.00 0.00 O ATOM 0 H GLU A 92 3.080 -2.416 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 92 4.600 -1.042 -5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.736 -2.830 -7.041 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.500 -1.147 -7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.694 -0.897 -8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.330 -2.191 -7.295 1.00 0.00 H new ATOM 1462 N PHE A 93 3.120 0.898 -5.139 1.00 0.00 N ATOM 1463 CA PHE A 93 2.324 2.021 -4.684 1.00 0.00 C ATOM 1464 C PHE A 93 2.321 3.114 -5.743 1.00 0.00 C ATOM 1465 O PHE A 93 3.261 3.902 -5.828 1.00 0.00 O ATOM 1466 CB PHE A 93 2.890 2.544 -3.367 1.00 0.00 C ATOM 1467 CG PHE A 93 3.935 3.620 -3.544 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.262 3.268 -3.820 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.577 4.968 -3.432 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.230 4.265 -3.982 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.546 5.965 -3.594 1.00 0.00 C ATOM 1472 CZ PHE A 93 5.873 5.614 -3.870 1.00 0.00 C ATOM 0 H PHE A 93 4.053 1.149 -5.467 1.00 0.00 H new ATOM 0 HA PHE A 93 1.295 1.700 -4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.074 2.938 -2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.326 1.713 -2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.538 2.228 -3.908 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.553 5.239 -3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.254 3.994 -4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.270 7.005 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.620 6.383 -3.996 1.00 0.00 H new ATOM 1482 N LYS A 94 1.261 3.161 -6.552 1.00 0.00 N ATOM 1483 CA LYS A 94 1.142 4.156 -7.598 1.00 0.00 C ATOM 1484 C LYS A 94 -0.314 4.294 -8.020 1.00 0.00 C ATOM 1485 O LYS A 94 -1.140 3.442 -7.699 1.00 0.00 O ATOM 1486 CB LYS A 94 2.011 3.750 -8.786 1.00 0.00 C ATOM 1487 CG LYS A 94 3.220 4.677 -8.871 1.00 0.00 C ATOM 1488 CD LYS A 94 3.946 4.447 -10.193 1.00 0.00 C ATOM 1489 CE LYS A 94 4.338 5.791 -10.801 1.00 0.00 C ATOM 1490 NZ LYS A 94 3.552 6.070 -12.012 1.00 0.00 N ATOM 0 H LYS A 94 0.474 2.515 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 94 1.484 5.121 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.339 2.716 -8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.433 3.803 -9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.901 5.716 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.895 4.489 -8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.834 3.837 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.304 3.898 -10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.181 6.584 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.400 5.788 -11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.837 6.989 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.722 5.323 -12.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.541 6.095 -11.771 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.628 5.374 -8.740 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.957 5.671 -9.227 1.00 0.00 C ATOM 1506 C PRO A 95 -2.307 4.723 -10.366 1.00 0.00 C ATOM 1507 O PRO A 95 -3.387 4.816 -10.945 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.879 7.115 -9.722 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.423 7.241 -10.167 1.00 0.00 C ATOM 1510 CD PRO A 95 0.319 6.396 -9.133 1.00 0.00 C ATOM 0 HA PRO A 95 -2.726 5.550 -8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.571 7.299 -10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.124 7.827 -8.934 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.275 6.864 -11.179 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.086 8.278 -10.160 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.222 5.956 -9.556 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.628 6.998 -8.279 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.388 3.809 -10.687 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.602 2.851 -11.753 1.00 0.00 C ATOM 1520 C VAL A 96 -2.034 3.577 -13.019 1.00 0.00 C ATOM 1521 O VAL A 96 -3.225 3.675 -13.306 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.659 1.840 -11.322 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.987 0.916 -12.493 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -2.126 1.012 -10.156 1.00 0.00 C ATOM 0 H VAL A 96 -0.488 3.719 -10.216 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.674 2.319 -11.962 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.561 2.368 -11.011 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.743 0.193 -12.185 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.368 1.506 -13.327 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.085 0.388 -12.804 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.881 0.289 -9.848 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.224 0.484 -10.467 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.891 1.670 -9.320 1.00 0.00 H new