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 53 GLN :FLIP amide:sc= 0.653 F(o=-0.23,f=1.4) USER MOD Set 1.2: A 61 TYR OH : rot 169:sc= 0.728 USER MOD Set 1.3: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.686 X(o=-0.69,f=-0.29) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -1.29 F(o=-3!,f=-1.3) USER MOD Single : A 32 THR OG1 : rot 84:sc= 0.966 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -2.31! F(o=-4,f=-2.3!) USER MOD Single : A 35 ASN : amide:sc= -4.08! C(o=-4.1!,f=-6.7!) 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= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.168 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 33:sc= 0.505 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.04! C(o=-1!,f=-3.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= -0.0569 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -147:sc= -2.05 (180deg=-3.62!) USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= 0.285 (180deg=0.24) USER MOD Single : A 91 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.7!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 13 -12.687 -4.472 2.929 1.00 0.00 N ATOM 148 CA GLU A 13 -13.194 -3.508 3.885 1.00 0.00 C ATOM 149 C GLU A 13 -12.454 -2.187 3.731 1.00 0.00 C ATOM 150 O GLU A 13 -11.260 -2.105 4.008 1.00 0.00 O ATOM 151 CB GLU A 13 -13.027 -4.060 5.297 1.00 0.00 C ATOM 152 CG GLU A 13 -14.195 -4.987 5.623 1.00 0.00 C ATOM 153 CD GLU A 13 -15.447 -4.188 5.955 1.00 0.00 C ATOM 154 OE1 GLU A 13 -15.351 -3.335 6.863 1.00 0.00 O ATOM 155 OE2 GLU A 13 -16.476 -4.445 5.294 1.00 0.00 O ATOM 0 HA GLU A 13 -14.253 -3.330 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.085 -4.602 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.986 -3.242 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.392 -5.643 4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.933 -5.626 6.466 1.00 0.00 H new ATOM 162 N PRO A 14 -13.170 -1.150 3.290 1.00 0.00 N ATOM 163 CA PRO A 14 -12.639 0.180 3.085 1.00 0.00 C ATOM 164 C PRO A 14 -12.383 0.840 4.432 1.00 0.00 C ATOM 165 O PRO A 14 -13.317 1.287 5.095 1.00 0.00 O ATOM 166 CB PRO A 14 -13.727 0.921 2.310 1.00 0.00 C ATOM 167 CG PRO A 14 -15.008 0.244 2.794 1.00 0.00 C ATOM 168 CD PRO A 14 -14.577 -1.212 2.955 1.00 0.00 C ATOM 0 HA PRO A 14 -11.692 0.181 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.725 1.988 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.597 0.818 1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.360 0.669 3.734 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.819 0.349 2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.148 -1.709 3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.740 -1.776 2.037 1.00 0.00 H new ATOM 176 N VAL A 15 -11.112 0.900 4.836 1.00 0.00 N ATOM 177 CA VAL A 15 -10.740 1.503 6.101 1.00 0.00 C ATOM 178 C VAL A 15 -10.017 2.819 5.851 1.00 0.00 C ATOM 179 O VAL A 15 -10.194 3.439 4.805 1.00 0.00 O ATOM 180 CB VAL A 15 -9.851 0.537 6.882 1.00 0.00 C ATOM 181 CG1 VAL A 15 -9.883 0.903 8.363 1.00 0.00 C ATOM 182 CG2 VAL A 15 -10.366 -0.888 6.698 1.00 0.00 C ATOM 0 H VAL A 15 -10.327 0.535 4.297 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.635 1.708 6.688 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.827 0.604 6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.249 0.214 8.922 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.517 1.921 8.494 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.906 0.835 8.733 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.733 -1.579 7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.389 -0.956 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.345 -1.149 5.640 1.00 0.00 H new ATOM 192 N GLY A 16 -9.199 3.245 6.817 1.00 0.00 N ATOM 193 CA GLY A 16 -8.457 4.483 6.693 1.00 0.00 C ATOM 194 C GLY A 16 -8.399 5.200 8.034 1.00 0.00 C ATOM 195 O GLY A 16 -9.410 5.707 8.516 1.00 0.00 O ATOM 0 H GLY A 16 -9.040 2.744 7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.447 4.276 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.929 5.125 5.950 1.00 0.00 H new ATOM 199 N ASN A 17 -7.210 5.241 8.638 1.00 0.00 N ATOM 200 CA ASN A 17 -7.025 5.893 9.919 1.00 0.00 C ATOM 201 C ASN A 17 -5.547 5.911 10.284 1.00 0.00 C ATOM 202 O ASN A 17 -5.042 4.970 10.891 1.00 0.00 O ATOM 203 CB ASN A 17 -7.836 5.160 10.983 1.00 0.00 C ATOM 204 CG ASN A 17 -8.933 6.055 11.543 1.00 0.00 C ATOM 205 OD1 ASN A 17 -10.093 5.931 11.158 1.00 0.00 O ATOM 206 ND2 ASN A 17 -8.564 6.956 12.455 1.00 0.00 N ATOM 0 H ASN A 17 -6.362 4.826 8.252 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.375 6.924 9.859 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.278 4.261 10.554 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.178 4.837 11.789 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.258 7.581 12.865 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.587 7.020 12.742 1.00 0.00 H new ATOM 213 N GLU A 18 -4.854 6.991 9.913 1.00 0.00 N ATOM 214 CA GLU A 18 -3.442 7.126 10.204 1.00 0.00 C ATOM 215 C GLU A 18 -3.160 6.681 11.633 1.00 0.00 C ATOM 216 O GLU A 18 -2.100 6.129 11.917 1.00 0.00 O ATOM 217 CB GLU A 18 -3.019 8.578 9.999 1.00 0.00 C ATOM 218 CG GLU A 18 -3.731 9.465 11.016 1.00 0.00 C ATOM 219 CD GLU A 18 -3.373 10.929 10.805 1.00 0.00 C ATOM 220 OE1 GLU A 18 -2.176 11.250 10.973 1.00 0.00 O ATOM 221 OE2 GLU A 18 -4.301 11.700 10.481 1.00 0.00 O ATOM 0 H GLU A 18 -5.258 7.781 9.410 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.868 6.492 9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.939 8.672 10.112 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.263 8.899 8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.809 9.334 10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.455 9.161 12.026 1.00 0.00 H new ATOM 228 N ASN A 19 -4.118 6.920 12.532 1.00 0.00 N ATOM 229 CA ASN A 19 -3.969 6.542 13.923 1.00 0.00 C ATOM 230 C ASN A 19 -3.412 5.128 14.018 1.00 0.00 C ATOM 231 O ASN A 19 -2.785 4.771 15.014 1.00 0.00 O ATOM 232 CB ASN A 19 -5.323 6.637 14.620 1.00 0.00 C ATOM 233 CG ASN A 19 -5.359 7.823 15.574 1.00 0.00 C ATOM 234 OD1 ASN A 19 -5.449 7.643 16.787 1.00 0.00 O ATOM 235 ND2 ASN A 19 -5.289 9.037 15.023 1.00 0.00 N ATOM 0 H ASN A 19 -5.004 7.375 12.312 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.271 7.219 14.416 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.113 6.739 13.876 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.519 5.716 15.170 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.309 9.868 15.615 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.215 9.134 14.010 1.00 0.00 H new ATOM 242 N ASP A 20 -3.643 4.324 12.979 1.00 0.00 N ATOM 243 CA ASP A 20 -3.166 2.956 12.951 1.00 0.00 C ATOM 244 C ASP A 20 -1.756 2.915 12.378 1.00 0.00 C ATOM 245 O ASP A 20 -1.581 2.750 11.170 1.00 0.00 O ATOM 246 CB ASP A 20 -4.115 2.104 12.112 1.00 0.00 C ATOM 247 CG ASP A 20 -5.536 2.645 12.181 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.956 2.995 13.305 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.176 2.700 11.109 1.00 0.00 O ATOM 0 H ASP A 20 -4.160 4.606 12.146 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.138 2.555 13.964 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.777 2.089 11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.096 1.074 12.468 1.00 0.00 H new ATOM 254 N LEU A 21 -0.754 3.065 13.245 1.00 0.00 N ATOM 255 CA LEU A 21 0.647 3.058 12.827 1.00 0.00 C ATOM 256 C LEU A 21 0.936 1.954 11.807 1.00 0.00 C ATOM 257 O LEU A 21 1.658 2.174 10.834 1.00 0.00 O ATOM 258 CB LEU A 21 1.548 2.882 14.054 1.00 0.00 C ATOM 259 CG LEU A 21 1.382 1.538 14.792 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.734 0.892 15.078 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.602 1.721 16.089 1.00 0.00 C ATOM 0 H LEU A 21 -0.889 3.194 14.248 1.00 0.00 H new ATOM 0 HA LEU A 21 0.855 4.013 12.344 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.587 2.983 13.741 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.346 3.692 14.755 1.00 0.00 H new ATOM 0 HG LEU A 21 0.818 0.874 14.137 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.583 -0.053 15.599 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.256 0.709 14.139 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.331 1.558 15.701 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.499 0.759 16.590 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.136 2.414 16.740 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.387 2.122 15.866 1.00 0.00 H new ATOM 273 N HIS A 22 0.365 0.770 12.048 1.00 0.00 N ATOM 274 CA HIS A 22 0.537 -0.383 11.162 1.00 0.00 C ATOM 275 C HIS A 22 0.181 -0.006 9.712 1.00 0.00 C ATOM 276 O HIS A 22 1.022 -0.154 8.825 1.00 0.00 O ATOM 277 CB HIS A 22 -0.314 -1.561 11.650 1.00 0.00 C ATOM 278 CG HIS A 22 -0.267 -2.744 10.730 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.208 -2.816 9.378 1.00 0.00 N flip ATOM 280 CD2 HIS A 22 -0.266 -4.048 11.182 1.00 0.00 C flip ATOM 281 CE1 HIS A 22 -0.173 -4.149 9.045 1.00 0.00 C flip ATOM 282 NE2 HIS A 22 -0.207 -4.870 10.149 1.00 0.00 N flip ATOM 0 H HIS A 22 -0.226 0.585 12.858 1.00 0.00 H new ATOM 0 HA HIS A 22 1.583 -0.688 11.183 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.030 -1.864 12.639 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.348 -1.234 11.758 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.307 -4.350 12.218 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.125 -4.543 8.041 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.191 -5.889 10.197 1.00 0.00 H new ATOM 291 N LEU A 23 -1.047 0.458 9.480 1.00 0.00 N ATOM 292 CA LEU A 23 -1.504 0.822 8.139 1.00 0.00 C ATOM 293 C LEU A 23 -0.527 1.769 7.438 1.00 0.00 C ATOM 294 O LEU A 23 -0.021 1.474 6.358 1.00 0.00 O ATOM 295 CB LEU A 23 -2.888 1.471 8.226 1.00 0.00 C ATOM 296 CG LEU A 23 -4.013 0.536 8.720 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.835 -0.005 7.554 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.442 -0.616 9.540 1.00 0.00 C ATOM 0 H LEU A 23 -1.748 0.591 10.209 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.558 -0.091 7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.829 2.330 8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.158 1.851 7.241 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.672 1.125 9.358 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.619 -0.660 7.934 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.287 0.825 7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.187 -0.567 6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.254 -1.261 9.877 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.752 -1.193 8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.912 -0.219 10.405 1.00 0.00 H new ATOM 310 N VAL A 24 -0.274 2.918 8.069 1.00 0.00 N ATOM 311 CA VAL A 24 0.628 3.911 7.518 1.00 0.00 C ATOM 312 C VAL A 24 1.970 3.267 7.201 1.00 0.00 C ATOM 313 O VAL A 24 2.508 3.453 6.112 1.00 0.00 O ATOM 314 CB VAL A 24 0.797 5.052 8.516 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.145 5.732 8.287 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.323 6.068 8.322 1.00 0.00 C ATOM 0 H VAL A 24 -0.687 3.177 8.965 1.00 0.00 H new ATOM 0 HA VAL A 24 0.213 4.314 6.594 1.00 0.00 H new ATOM 0 HB VAL A 24 0.756 4.656 9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.267 6.548 9.000 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.947 5.007 8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.185 6.128 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.202 6.883 9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.283 6.464 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.286 5.584 8.484 1.00 0.00 H new ATOM 326 N ASP A 25 2.509 2.507 8.156 1.00 0.00 N ATOM 327 CA ASP A 25 3.785 1.841 7.974 1.00 0.00 C ATOM 328 C ASP A 25 3.857 1.242 6.577 1.00 0.00 C ATOM 329 O ASP A 25 4.885 1.351 5.907 1.00 0.00 O ATOM 330 CB ASP A 25 3.947 0.758 9.036 1.00 0.00 C ATOM 331 CG ASP A 25 5.355 0.181 9.012 1.00 0.00 C ATOM 332 OD1 ASP A 25 5.647 -0.564 8.052 1.00 0.00 O ATOM 333 OD2 ASP A 25 6.114 0.494 9.956 1.00 0.00 O ATOM 0 H ASP A 25 2.074 2.342 9.064 1.00 0.00 H new ATOM 0 HA ASP A 25 4.596 2.561 8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.737 1.175 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.221 -0.037 8.865 1.00 0.00 H new ATOM 338 N LEU A 26 2.768 0.611 6.139 1.00 0.00 N ATOM 339 CA LEU A 26 2.706 -0.020 4.821 1.00 0.00 C ATOM 340 C LEU A 26 2.928 0.989 3.691 1.00 0.00 C ATOM 341 O LEU A 26 3.807 0.817 2.850 1.00 0.00 O ATOM 342 CB LEU A 26 1.353 -0.712 4.645 1.00 0.00 C ATOM 343 CG LEU A 26 1.030 -1.784 5.706 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.522 -3.071 5.060 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.248 -2.076 6.574 1.00 0.00 C ATOM 0 H LEU A 26 1.910 0.523 6.683 1.00 0.00 H new ATOM 0 HA LEU A 26 3.509 -0.755 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.569 0.045 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.324 -1.177 3.659 1.00 0.00 H new ATOM 0 HG LEU A 26 0.238 -1.386 6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.304 -3.806 5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.385 -2.860 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.285 -3.467 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.994 -2.835 7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.063 -2.439 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.560 -1.164 7.082 1.00 0.00 H new ATOM 357 N ALA A 27 2.112 2.046 3.684 1.00 0.00 N ATOM 358 CA ALA A 27 2.204 3.076 2.670 1.00 0.00 C ATOM 359 C ALA A 27 3.567 3.750 2.743 1.00 0.00 C ATOM 360 O ALA A 27 4.268 3.848 1.737 1.00 0.00 O ATOM 361 CB ALA A 27 1.086 4.093 2.875 1.00 0.00 C ATOM 0 H ALA A 27 1.380 2.203 4.377 1.00 0.00 H new ATOM 0 HA ALA A 27 2.093 2.630 1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.155 4.868 2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.121 3.593 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.182 4.546 3.862 1.00 0.00 H new ATOM 367 N ARG A 28 3.942 4.214 3.937 1.00 0.00 N ATOM 368 CA ARG A 28 5.216 4.877 4.134 1.00 0.00 C ATOM 369 C ARG A 28 6.349 3.940 3.745 1.00 0.00 C ATOM 370 O ARG A 28 7.394 4.386 3.275 1.00 0.00 O ATOM 371 CB ARG A 28 5.343 5.304 5.593 1.00 0.00 C ATOM 372 CG ARG A 28 4.780 6.713 5.763 1.00 0.00 C ATOM 373 CD ARG A 28 5.098 7.222 7.166 1.00 0.00 C ATOM 374 NE ARG A 28 6.443 7.793 7.225 1.00 0.00 N ATOM 375 CZ ARG A 28 7.053 8.096 8.379 1.00 0.00 C ATOM 376 NH1 ARG A 28 6.430 7.874 9.545 1.00 0.00 N ATOM 377 NH2 ARG A 28 8.287 8.619 8.368 1.00 0.00 N ATOM 0 H ARG A 28 3.373 4.138 4.780 1.00 0.00 H new ATOM 0 HA ARG A 28 5.273 5.764 3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.805 4.606 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.388 5.279 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.210 7.381 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.702 6.707 5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.366 7.975 7.458 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.015 6.403 7.881 1.00 0.00 H new ATOM 0 HE ARG A 28 6.938 7.968 6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.492 7.474 9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.894 8.105 10.423 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.762 8.786 7.481 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.751 8.850 9.247 1.00 0.00 H new ATOM 391 N PHE A 29 6.143 2.635 3.941 1.00 0.00 N ATOM 392 CA PHE A 29 7.147 1.645 3.610 1.00 0.00 C ATOM 393 C PHE A 29 7.401 1.650 2.110 1.00 0.00 C ATOM 394 O PHE A 29 8.546 1.743 1.672 1.00 0.00 O ATOM 395 CB PHE A 29 6.676 0.270 4.076 1.00 0.00 C ATOM 396 CG PHE A 29 7.222 -0.866 3.245 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.603 -0.989 3.047 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.349 -1.800 2.676 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.109 -2.044 2.280 1.00 0.00 C ATOM 400 CE2 PHE A 29 6.855 -2.855 1.908 1.00 0.00 C ATOM 401 CZ PHE A 29 8.235 -2.977 1.710 1.00 0.00 C ATOM 0 H PHE A 29 5.283 2.248 4.329 1.00 0.00 H new ATOM 0 HA PHE A 29 8.082 1.885 4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.973 0.126 5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.587 0.239 4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.278 -0.269 3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.284 -1.707 2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.174 -2.139 2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.181 -3.575 1.468 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.626 -3.791 1.117 1.00 0.00 H new ATOM 411 N ALA A 30 6.329 1.549 1.322 1.00 0.00 N ATOM 412 CA ALA A 30 6.440 1.540 -0.124 1.00 0.00 C ATOM 413 C ALA A 30 7.335 2.684 -0.578 1.00 0.00 C ATOM 414 O ALA A 30 8.423 2.452 -1.103 1.00 0.00 O ATOM 415 CB ALA A 30 5.050 1.665 -0.740 1.00 0.00 C ATOM 0 H ALA A 30 5.373 1.472 1.670 1.00 0.00 H new ATOM 0 HA ALA A 30 6.886 0.602 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.132 1.658 -1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.432 0.827 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.591 2.599 -0.416 1.00 0.00 H new ATOM 421 N VAL A 31 6.876 3.921 -0.375 1.00 0.00 N ATOM 422 CA VAL A 31 7.635 5.092 -0.764 1.00 0.00 C ATOM 423 C VAL A 31 9.099 4.903 -0.393 1.00 0.00 C ATOM 424 O VAL A 31 9.988 5.237 -1.173 1.00 0.00 O ATOM 425 CB VAL A 31 7.057 6.324 -0.075 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.740 7.577 -0.615 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.558 6.404 -0.350 1.00 0.00 C ATOM 0 H VAL A 31 5.977 4.129 0.059 1.00 0.00 H new ATOM 0 HA VAL A 31 7.569 5.232 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 31 7.227 6.252 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.327 8.457 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.811 7.521 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.571 7.649 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.144 7.284 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.388 6.476 -1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.069 5.509 0.036 1.00 0.00 H new ATOM 437 N THR A 32 9.349 4.367 0.804 1.00 0.00 N ATOM 438 CA THR A 32 10.702 4.137 1.268 1.00 0.00 C ATOM 439 C THR A 32 11.390 3.113 0.376 1.00 0.00 C ATOM 440 O THR A 32 12.300 3.451 -0.378 1.00 0.00 O ATOM 441 CB THR A 32 10.667 3.656 2.716 1.00 0.00 C ATOM 442 OG1 THR A 32 10.191 4.693 3.544 1.00 0.00 O ATOM 443 CG2 THR A 32 12.074 3.261 3.155 1.00 0.00 C ATOM 0 H THR A 32 8.624 4.087 1.464 1.00 0.00 H new ATOM 0 HA THR A 32 11.268 5.067 1.220 1.00 0.00 H new ATOM 0 HB THR A 32 10.005 2.793 2.796 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.211 4.695 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.049 2.917 4.189 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.443 2.460 2.515 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.736 4.123 3.075 1.00 0.00 H new ATOM 451 N GLU A 33 10.951 1.855 0.465 1.00 0.00 N ATOM 452 CA GLU A 33 11.524 0.790 -0.334 1.00 0.00 C ATOM 453 C GLU A 33 11.770 1.280 -1.754 1.00 0.00 C ATOM 454 O GLU A 33 12.877 1.141 -2.271 1.00 0.00 O ATOM 455 CB GLU A 33 10.581 -0.409 -0.330 1.00 0.00 C ATOM 456 CG GLU A 33 11.235 -1.572 -1.072 1.00 0.00 C ATOM 457 CD GLU A 33 11.018 -2.881 -0.328 1.00 0.00 C ATOM 458 OE1 GLU A 33 11.781 -3.123 0.632 1.00 0.00 O ATOM 459 OE2 GLU A 33 10.091 -3.617 -0.732 1.00 0.00 O ATOM 0 H GLU A 33 10.199 1.557 1.086 1.00 0.00 H new ATOM 0 HA GLU A 33 12.480 0.486 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.351 -0.701 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.637 -0.144 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.820 -1.647 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.303 -1.384 -1.182 1.00 0.00 H new ATOM 466 N HIS A 34 10.733 1.852 -2.376 1.00 0.00 N ATOM 467 CA HIS A 34 10.826 2.382 -3.738 1.00 0.00 C ATOM 468 C HIS A 34 11.939 3.442 -3.828 1.00 0.00 C ATOM 469 O HIS A 34 12.786 3.358 -4.714 1.00 0.00 O ATOM 470 CB HIS A 34 9.475 2.961 -4.177 1.00 0.00 C ATOM 471 CG HIS A 34 9.407 3.248 -5.647 1.00 0.00 C ATOM 472 ND1 HIS A 34 10.299 3.837 -6.478 1.00 0.00 N flip ATOM 473 CD2 HIS A 34 8.324 2.906 -6.429 1.00 0.00 C flip ATOM 474 CE1 HIS A 34 9.741 3.841 -7.734 1.00 0.00 C flip ATOM 475 NE2 HIS A 34 8.552 3.273 -7.678 1.00 0.00 N flip ATOM 0 H HIS A 34 9.812 1.959 -1.951 1.00 0.00 H new ATOM 0 HA HIS A 34 11.082 1.567 -4.415 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.683 2.260 -3.913 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.284 3.881 -3.624 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.429 2.415 -6.076 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.202 4.244 -8.624 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.917 3.140 -8.465 1.00 0.00 H new ATOM 484 N ASN A 35 11.924 4.431 -2.931 1.00 0.00 N ATOM 485 CA ASN A 35 12.919 5.485 -2.941 1.00 0.00 C ATOM 486 C ASN A 35 14.305 4.891 -2.737 1.00 0.00 C ATOM 487 O ASN A 35 15.305 5.491 -3.128 1.00 0.00 O ATOM 488 CB ASN A 35 12.597 6.496 -1.843 1.00 0.00 C ATOM 489 CG ASN A 35 11.404 7.356 -2.231 1.00 0.00 C ATOM 490 OD1 ASN A 35 10.552 6.927 -3.006 1.00 0.00 O ATOM 491 ND2 ASN A 35 11.342 8.575 -1.688 1.00 0.00 N ATOM 0 H ASN A 35 11.228 4.516 -2.190 1.00 0.00 H new ATOM 0 HA ASN A 35 12.904 5.995 -3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.385 5.972 -0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.464 7.131 -1.662 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.563 9.194 -1.912 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.074 8.887 -1.050 1.00 0.00 H new ATOM 498 N LYS A 36 14.363 3.707 -2.123 1.00 0.00 N ATOM 499 CA LYS A 36 15.623 3.038 -1.872 1.00 0.00 C ATOM 500 C LYS A 36 16.293 2.681 -3.192 1.00 0.00 C ATOM 501 O LYS A 36 17.465 2.987 -3.400 1.00 0.00 O ATOM 502 CB LYS A 36 15.376 1.786 -1.036 1.00 0.00 C ATOM 503 CG LYS A 36 16.276 1.812 0.196 1.00 0.00 C ATOM 504 CD LYS A 36 15.593 1.071 1.341 1.00 0.00 C ATOM 505 CE LYS A 36 16.651 0.447 2.248 1.00 0.00 C ATOM 506 NZ LYS A 36 16.907 -0.952 1.875 1.00 0.00 N ATOM 0 H LYS A 36 13.544 3.197 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 36 16.287 3.703 -1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.330 1.738 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.578 0.894 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.235 1.347 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.482 2.842 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.969 1.759 1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.935 0.297 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.576 1.020 2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.320 0.496 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.630 -1.353 2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.028 -1.501 1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.245 -0.993 0.892 1.00 0.00 H new ATOM 520 N LYS A 37 15.543 2.031 -4.085 1.00 0.00 N ATOM 521 CA LYS A 37 16.066 1.637 -5.378 1.00 0.00 C ATOM 522 C LYS A 37 15.856 2.758 -6.386 1.00 0.00 C ATOM 523 O LYS A 37 16.411 2.724 -7.482 1.00 0.00 O ATOM 524 CB LYS A 37 15.371 0.359 -5.838 1.00 0.00 C ATOM 525 CG LYS A 37 15.882 -0.821 -5.018 1.00 0.00 C ATOM 526 CD LYS A 37 15.310 -2.120 -5.582 1.00 0.00 C ATOM 527 CE LYS A 37 16.197 -2.613 -6.722 1.00 0.00 C ATOM 528 NZ LYS A 37 16.597 -4.013 -6.511 1.00 0.00 N ATOM 0 H LYS A 37 14.570 1.770 -3.928 1.00 0.00 H new ATOM 0 HA LYS A 37 17.136 1.446 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.292 0.457 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.562 0.189 -6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.971 -0.850 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.590 -0.706 -3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.253 -2.875 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.294 -1.957 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.663 -2.522 -7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.085 -1.984 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.199 -4.325 -7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.126 -4.092 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.749 -4.613 -6.465 1.00 0.00 H new ATOM 542 N ALA A 38 15.051 3.756 -6.011 1.00 0.00 N ATOM 543 CA ALA A 38 14.770 4.880 -6.880 1.00 0.00 C ATOM 544 C ALA A 38 15.468 6.125 -6.353 1.00 0.00 C ATOM 545 O ALA A 38 15.146 7.240 -6.761 1.00 0.00 O ATOM 546 CB ALA A 38 13.262 5.096 -6.959 1.00 0.00 C ATOM 0 H ALA A 38 14.585 3.799 -5.105 1.00 0.00 H new ATOM 0 HA ALA A 38 15.146 4.674 -7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.049 5.942 -7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.787 4.200 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.871 5.301 -5.962 1.00 0.00 H new ATOM 552 N ASN A 39 16.426 5.934 -5.444 1.00 0.00 N ATOM 553 CA ASN A 39 17.162 7.042 -4.868 1.00 0.00 C ATOM 554 C ASN A 39 16.210 8.182 -4.536 1.00 0.00 C ATOM 555 O ASN A 39 16.607 9.345 -4.525 1.00 0.00 O ATOM 556 CB ASN A 39 18.235 7.503 -5.850 1.00 0.00 C ATOM 557 CG ASN A 39 19.628 7.227 -5.303 1.00 0.00 C ATOM 558 OD1 ASN A 39 20.362 6.410 -5.856 1.00 0.00 O ATOM 559 ND2 ASN A 39 19.992 7.910 -4.216 1.00 0.00 N ATOM 0 H ASN A 39 16.705 5.017 -5.095 1.00 0.00 H new ATOM 0 HA ASN A 39 17.644 6.720 -3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.106 6.990 -6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.121 8.569 -6.045 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.915 7.765 -3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.347 8.577 -3.793 1.00 0.00 H new ATOM 566 N SER A 40 14.948 7.843 -4.262 1.00 0.00 N ATOM 567 CA SER A 40 13.946 8.837 -3.930 1.00 0.00 C ATOM 568 C SER A 40 13.557 9.616 -5.178 1.00 0.00 C ATOM 569 O SER A 40 14.349 9.725 -6.115 1.00 0.00 O ATOM 570 CB SER A 40 14.496 9.772 -2.857 1.00 0.00 C ATOM 571 OG SER A 40 15.256 9.030 -1.931 1.00 0.00 O ATOM 0 H SER A 40 14.603 6.883 -4.266 1.00 0.00 H new ATOM 0 HA SER A 40 13.054 8.345 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.114 10.544 -3.315 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.677 10.280 -2.347 1.00 0.00 H new ATOM 0 HG SER A 40 15.611 9.631 -1.243 1.00 0.00 H new ATOM 577 N LEU A 41 12.339 10.157 -5.187 1.00 0.00 N ATOM 578 CA LEU A 41 11.832 10.923 -6.327 1.00 0.00 C ATOM 579 C LEU A 41 10.667 11.833 -5.933 1.00 0.00 C ATOM 580 O LEU A 41 10.281 12.729 -6.684 1.00 0.00 O ATOM 581 CB LEU A 41 11.394 9.963 -7.436 1.00 0.00 C ATOM 582 CG LEU A 41 9.915 9.526 -7.366 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.447 8.941 -8.695 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.698 8.518 -6.243 1.00 0.00 C ATOM 0 H LEU A 41 11.680 10.078 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 41 12.639 11.562 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.573 10.438 -8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.023 9.074 -7.397 1.00 0.00 H new ATOM 0 HG LEU A 41 9.321 10.415 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.402 8.643 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.550 9.691 -9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.054 8.071 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.648 8.226 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.315 7.637 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.975 8.969 -5.290 1.00 0.00 H new ATOM 596 N LEU A 42 10.110 11.588 -4.747 1.00 0.00 N ATOM 597 CA LEU A 42 8.977 12.363 -4.241 1.00 0.00 C ATOM 598 C LEU A 42 9.011 12.498 -2.716 1.00 0.00 C ATOM 599 O LEU A 42 9.963 12.079 -2.062 1.00 0.00 O ATOM 600 CB LEU A 42 7.667 11.702 -4.677 1.00 0.00 C ATOM 601 CG LEU A 42 7.567 10.194 -4.365 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.922 9.952 -3.002 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.789 9.462 -5.451 1.00 0.00 C ATOM 0 H LEU A 42 10.428 10.853 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 42 9.045 13.367 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.838 12.215 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.544 11.845 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 42 8.582 9.798 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.866 8.880 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.522 10.428 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.917 10.375 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.733 8.401 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.781 9.873 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.295 9.588 -6.408 1.00 0.00 H new ATOM 615 N GLU A 43 7.956 13.097 -2.159 1.00 0.00 N ATOM 616 CA GLU A 43 7.861 13.294 -0.727 1.00 0.00 C ATOM 617 C GLU A 43 6.435 13.034 -0.260 1.00 0.00 C ATOM 618 O GLU A 43 5.534 13.825 -0.533 1.00 0.00 O ATOM 619 CB GLU A 43 8.293 14.716 -0.381 1.00 0.00 C ATOM 620 CG GLU A 43 8.733 14.773 1.080 1.00 0.00 C ATOM 621 CD GLU A 43 9.964 15.653 1.242 1.00 0.00 C ATOM 622 OE1 GLU A 43 9.973 16.738 0.621 1.00 0.00 O ATOM 623 OE2 GLU A 43 10.873 15.225 1.986 1.00 0.00 O ATOM 0 H GLU A 43 7.158 13.452 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 43 8.521 12.592 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.111 15.027 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.469 15.409 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.920 15.161 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.951 13.767 1.438 1.00 0.00 H new ATOM 630 N PHE A 44 6.233 11.922 0.449 1.00 0.00 N ATOM 631 CA PHE A 44 4.921 11.565 0.950 1.00 0.00 C ATOM 632 C PHE A 44 4.340 12.723 1.749 1.00 0.00 C ATOM 633 O PHE A 44 5.035 13.331 2.560 1.00 0.00 O ATOM 634 CB PHE A 44 5.031 10.312 1.814 1.00 0.00 C ATOM 635 CG PHE A 44 3.785 10.021 2.616 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.586 10.646 3.852 1.00 0.00 C ATOM 637 CD2 PHE A 44 2.830 9.123 2.124 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.433 10.375 4.597 1.00 0.00 C ATOM 639 CE2 PHE A 44 1.676 8.852 2.869 1.00 0.00 C ATOM 640 CZ PHE A 44 1.477 9.478 4.105 1.00 0.00 C ATOM 0 H PHE A 44 6.969 11.257 0.685 1.00 0.00 H new ATOM 0 HA PHE A 44 4.253 11.356 0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.249 9.457 1.174 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.874 10.423 2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.323 11.338 4.231 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.983 8.640 1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.280 10.857 5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.939 8.160 2.490 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.586 9.269 4.679 1.00 0.00 H new ATOM 650 N GLU A 45 3.060 13.027 1.518 1.00 0.00 N ATOM 651 CA GLU A 45 2.396 14.108 2.218 1.00 0.00 C ATOM 652 C GLU A 45 1.554 13.549 3.356 1.00 0.00 C ATOM 653 O GLU A 45 1.642 14.020 4.488 1.00 0.00 O ATOM 654 CB GLU A 45 1.528 14.889 1.235 1.00 0.00 C ATOM 655 CG GLU A 45 0.522 15.737 2.009 1.00 0.00 C ATOM 656 CD GLU A 45 0.510 17.170 1.494 1.00 0.00 C ATOM 657 OE1 GLU A 45 -0.203 17.408 0.496 1.00 0.00 O ATOM 658 OE2 GLU A 45 1.214 17.999 2.111 1.00 0.00 O ATOM 0 H GLU A 45 2.470 12.533 0.849 1.00 0.00 H new ATOM 0 HA GLU A 45 3.140 14.782 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.152 15.527 0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.005 14.202 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.474 15.304 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.774 15.729 3.070 1.00 0.00 H new ATOM 665 N LYS A 46 0.734 12.541 3.052 1.00 0.00 N ATOM 666 CA LYS A 46 -0.118 11.923 4.049 1.00 0.00 C ATOM 667 C LYS A 46 -0.876 10.757 3.431 1.00 0.00 C ATOM 668 O LYS A 46 -0.647 10.409 2.273 1.00 0.00 O ATOM 669 CB LYS A 46 -1.087 12.964 4.604 1.00 0.00 C ATOM 670 CG LYS A 46 -2.066 13.381 3.510 1.00 0.00 C ATOM 671 CD LYS A 46 -3.122 14.311 4.099 1.00 0.00 C ATOM 672 CE LYS A 46 -4.467 14.044 3.430 1.00 0.00 C ATOM 673 NZ LYS A 46 -5.551 13.997 4.422 1.00 0.00 N ATOM 0 H LYS A 46 0.648 12.140 2.118 1.00 0.00 H new ATOM 0 HA LYS A 46 0.492 11.540 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.630 12.554 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.537 13.833 4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.533 13.884 2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.542 12.501 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.201 14.153 5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.830 15.351 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.674 14.824 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.426 13.100 2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.455 13.814 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.363 13.236 5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.603 14.907 4.922 1.00 0.00 H new ATOM 687 N LEU A 47 -1.778 10.155 4.207 1.00 0.00 N ATOM 688 CA LEU A 47 -2.568 9.014 3.745 1.00 0.00 C ATOM 689 C LEU A 47 -4.065 9.331 3.712 1.00 0.00 C ATOM 690 O LEU A 47 -4.587 10.026 4.581 1.00 0.00 O ATOM 691 CB LEU A 47 -2.310 7.808 4.653 1.00 0.00 C ATOM 692 CG LEU A 47 -3.402 6.720 4.611 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.190 5.765 3.440 1.00 0.00 C ATOM 694 CD2 LEU A 47 -3.447 5.943 5.921 1.00 0.00 C ATOM 0 H LEU A 47 -1.980 10.441 5.165 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.258 8.784 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.358 7.358 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.207 8.160 5.680 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.359 7.223 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.976 5.010 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.222 6.324 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.220 5.278 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.225 5.182 5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.483 5.465 6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.665 6.626 6.742 1.00 0.00 H new ATOM 706 N VAL A 48 -4.751 8.812 2.690 1.00 0.00 N ATOM 707 CA VAL A 48 -6.173 9.034 2.531 1.00 0.00 C ATOM 708 C VAL A 48 -6.949 7.897 3.181 1.00 0.00 C ATOM 709 O VAL A 48 -7.658 8.107 4.162 1.00 0.00 O ATOM 710 CB VAL A 48 -6.509 9.139 1.047 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.802 9.931 0.870 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.373 9.852 0.318 1.00 0.00 C ATOM 0 H VAL A 48 -4.333 8.233 1.962 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.456 9.966 3.020 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.637 8.139 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.041 10.005 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.614 9.423 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.676 10.931 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.612 9.928 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.245 10.852 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.449 9.287 0.442 1.00 0.00 H new ATOM 722 N SER A 49 -6.811 6.688 2.629 1.00 0.00 N ATOM 723 CA SER A 49 -7.497 5.526 3.158 1.00 0.00 C ATOM 724 C SER A 49 -6.751 4.260 2.759 1.00 0.00 C ATOM 725 O SER A 49 -5.645 4.330 2.227 1.00 0.00 O ATOM 726 CB SER A 49 -8.929 5.499 2.632 1.00 0.00 C ATOM 727 OG SER A 49 -9.769 6.201 3.520 1.00 0.00 O ATOM 0 H SER A 49 -6.227 6.498 1.815 1.00 0.00 H new ATOM 0 HA SER A 49 -7.525 5.579 4.246 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.972 5.950 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.271 4.469 2.529 1.00 0.00 H new ATOM 0 HG SER A 49 -9.271 6.943 3.924 1.00 0.00 H new ATOM 733 N VAL A 50 -7.361 3.102 3.018 1.00 0.00 N ATOM 734 CA VAL A 50 -6.756 1.828 2.685 1.00 0.00 C ATOM 735 C VAL A 50 -7.827 0.748 2.627 1.00 0.00 C ATOM 736 O VAL A 50 -8.865 0.864 3.277 1.00 0.00 O ATOM 737 CB VAL A 50 -5.696 1.482 3.725 1.00 0.00 C ATOM 738 CG1 VAL A 50 -6.331 1.463 5.113 1.00 0.00 C ATOM 739 CG2 VAL A 50 -5.107 0.108 3.416 1.00 0.00 C ATOM 0 H VAL A 50 -8.278 3.029 3.460 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.279 1.892 1.707 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.904 2.231 3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.573 1.216 5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.750 2.444 5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.124 0.715 5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.349 -0.139 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.898 -0.641 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.652 0.121 2.426 1.00 0.00 H new ATOM 749 N LYS A 51 -7.575 -0.306 1.847 1.00 0.00 N ATOM 750 CA LYS A 51 -8.516 -1.398 1.711 1.00 0.00 C ATOM 751 C LYS A 51 -7.853 -2.707 2.113 1.00 0.00 C ATOM 752 O LYS A 51 -6.779 -3.041 1.616 1.00 0.00 O ATOM 753 CB LYS A 51 -9.013 -1.463 0.270 1.00 0.00 C ATOM 754 CG LYS A 51 -10.250 -0.585 0.117 1.00 0.00 C ATOM 755 CD LYS A 51 -9.851 0.759 -0.488 1.00 0.00 C ATOM 756 CE LYS A 51 -11.029 1.339 -1.263 1.00 0.00 C ATOM 757 NZ LYS A 51 -10.746 1.377 -2.705 1.00 0.00 N ATOM 0 H LYS A 51 -6.720 -0.418 1.301 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.369 -1.231 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.230 -1.128 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.250 -2.493 0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.983 -1.079 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.723 -0.433 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.546 1.448 0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.994 0.632 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.920 0.738 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.244 2.346 -0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.564 1.776 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.909 1.970 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.565 0.412 -3.049 1.00 0.00 H new ATOM 771 N GLN A 52 -8.497 -3.451 3.015 1.00 0.00 N ATOM 772 CA GLN A 52 -7.968 -4.718 3.479 1.00 0.00 C ATOM 773 C GLN A 52 -8.595 -5.860 2.692 1.00 0.00 C ATOM 774 O GLN A 52 -9.816 -5.945 2.583 1.00 0.00 O ATOM 775 CB GLN A 52 -8.251 -4.869 4.971 1.00 0.00 C ATOM 776 CG GLN A 52 -9.757 -4.806 5.213 1.00 0.00 C ATOM 777 CD GLN A 52 -10.072 -4.890 6.699 1.00 0.00 C ATOM 778 OE1 GLN A 52 -10.633 -3.958 7.270 1.00 0.00 O ATOM 779 NE2 GLN A 52 -9.710 -6.013 7.325 1.00 0.00 N ATOM 0 H GLN A 52 -9.389 -3.189 3.435 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.890 -4.746 3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.853 -5.817 5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.749 -4.079 5.529 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.157 -3.878 4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.249 -5.624 4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.246 -6.759 6.807 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.897 -6.125 8.321 1.00 0.00 H new ATOM 788 N GLN A 53 -7.755 -6.740 2.143 1.00 0.00 N ATOM 789 CA GLN A 53 -8.230 -7.870 1.370 1.00 0.00 C ATOM 790 C GLN A 53 -7.718 -9.166 1.982 1.00 0.00 C ATOM 791 O GLN A 53 -6.670 -9.181 2.623 1.00 0.00 O ATOM 792 CB GLN A 53 -7.759 -7.729 -0.074 1.00 0.00 C ATOM 793 CG GLN A 53 -8.769 -8.391 -1.007 1.00 0.00 C ATOM 794 CD GLN A 53 -8.349 -8.236 -2.461 1.00 0.00 C ATOM 795 OE1 GLN A 53 -7.091 -8.572 -2.760 1.00 0.00 O flip ATOM 796 NE2 GLN A 53 -9.146 -7.822 -3.300 1.00 0.00 N flip ATOM 0 H GLN A 53 -6.740 -6.684 2.225 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.320 -7.893 1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.648 -6.675 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.779 -8.191 -0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.858 -9.449 -0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.753 -7.946 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.097 -7.578 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.857 -7.723 -4.273 1.00 0.00 H new ATOM 805 N VAL A 54 -8.461 -10.257 1.780 1.00 0.00 N ATOM 806 CA VAL A 54 -8.080 -11.551 2.310 1.00 0.00 C ATOM 807 C VAL A 54 -7.934 -12.551 1.172 1.00 0.00 C ATOM 808 O VAL A 54 -8.888 -12.806 0.441 1.00 0.00 O ATOM 809 CB VAL A 54 -9.133 -12.020 3.309 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.504 -12.025 2.640 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.793 -13.430 3.782 1.00 0.00 C ATOM 0 H VAL A 54 -9.332 -10.261 1.250 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.121 -11.471 2.823 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.149 -11.344 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.256 -12.360 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.748 -11.018 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.489 -12.701 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.545 -13.766 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.777 -14.106 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.814 -13.427 4.261 1.00 0.00 H new ATOM 821 N VAL A 55 -6.733 -13.116 1.023 1.00 0.00 N ATOM 822 CA VAL A 55 -6.468 -14.083 -0.024 1.00 0.00 C ATOM 823 C VAL A 55 -5.395 -15.059 0.437 1.00 0.00 C ATOM 824 O VAL A 55 -5.572 -15.751 1.437 1.00 0.00 O ATOM 825 CB VAL A 55 -6.029 -13.354 -1.290 1.00 0.00 C ATOM 826 CG1 VAL A 55 -7.189 -12.521 -1.826 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.852 -12.437 -0.966 1.00 0.00 C ATOM 0 H VAL A 55 -5.932 -12.914 1.621 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.375 -14.647 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.727 -14.082 -2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.875 -12.000 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.030 -13.175 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.492 -11.792 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.537 -11.916 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.155 -11.709 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.023 -13.031 -0.583 1.00 0.00 H new ATOM 837 N ALA A 56 -4.280 -15.112 -0.295 1.00 0.00 N ATOM 838 CA ALA A 56 -3.186 -16.001 0.041 1.00 0.00 C ATOM 839 C ALA A 56 -2.361 -15.400 1.170 1.00 0.00 C ATOM 840 O ALA A 56 -1.233 -15.823 1.412 1.00 0.00 O ATOM 841 CB ALA A 56 -2.323 -16.233 -1.195 1.00 0.00 C ATOM 0 H ALA A 56 -4.119 -14.544 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.581 -16.960 0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.500 -16.902 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.928 -16.683 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.924 -15.281 -1.544 1.00 0.00 H new ATOM 847 N GLY A 57 -2.928 -14.408 1.862 1.00 0.00 N ATOM 848 CA GLY A 57 -2.240 -13.757 2.959 1.00 0.00 C ATOM 849 C GLY A 57 -3.038 -12.553 3.441 1.00 0.00 C ATOM 850 O GLY A 57 -4.248 -12.642 3.637 1.00 0.00 O ATOM 0 H GLY A 57 -3.862 -14.044 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.100 -14.461 3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.248 -13.440 2.638 1.00 0.00 H new ATOM 854 N THR A 58 -2.354 -11.423 3.633 1.00 0.00 N ATOM 855 CA THR A 58 -3.002 -10.210 4.090 1.00 0.00 C ATOM 856 C THR A 58 -2.648 -9.053 3.166 1.00 0.00 C ATOM 857 O THR A 58 -1.535 -8.528 3.221 1.00 0.00 O ATOM 858 CB THR A 58 -2.566 -9.910 5.521 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.896 -11.002 6.350 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.283 -8.658 6.020 1.00 0.00 C ATOM 0 H THR A 58 -1.350 -11.331 3.476 1.00 0.00 H new ATOM 0 HA THR A 58 -4.084 -10.344 4.072 1.00 0.00 H new ATOM 0 HB THR A 58 -1.489 -9.746 5.546 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.615 -10.811 7.269 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.972 -8.444 7.042 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.030 -7.814 5.379 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.360 -8.822 5.996 1.00 0.00 H new ATOM 868 N LEU A 59 -3.596 -8.658 2.316 1.00 0.00 N ATOM 869 CA LEU A 59 -3.389 -7.567 1.365 1.00 0.00 C ATOM 870 C LEU A 59 -4.002 -6.253 1.857 1.00 0.00 C ATOM 871 O LEU A 59 -5.056 -6.242 2.489 1.00 0.00 O ATOM 872 CB LEU A 59 -3.988 -7.947 0.008 1.00 0.00 C ATOM 873 CG LEU A 59 -3.277 -7.325 -1.212 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.455 -5.809 -1.244 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.796 -7.680 -1.218 1.00 0.00 C ATOM 0 H LEU A 59 -4.522 -9.082 2.267 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.315 -7.410 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.967 -9.032 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.036 -7.646 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.739 -7.742 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.943 -5.401 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.517 -5.568 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.033 -5.374 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.317 -7.230 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.327 -7.302 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.682 -8.763 -1.261 1.00 0.00 H new ATOM 887 N TYR A 60 -3.321 -5.144 1.561 1.00 0.00 N ATOM 888 CA TYR A 60 -3.784 -3.833 1.971 1.00 0.00 C ATOM 889 C TYR A 60 -3.517 -2.822 0.865 1.00 0.00 C ATOM 890 O TYR A 60 -2.371 -2.613 0.474 1.00 0.00 O ATOM 891 CB TYR A 60 -3.074 -3.425 3.260 1.00 0.00 C ATOM 892 CG TYR A 60 -3.502 -4.229 4.464 1.00 0.00 C ATOM 893 CD1 TYR A 60 -4.857 -4.309 4.807 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.543 -4.896 5.237 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.254 -5.056 5.923 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.940 -5.642 6.353 1.00 0.00 C ATOM 897 CZ TYR A 60 -4.295 -5.722 6.696 1.00 0.00 C ATOM 898 OH TYR A 60 -4.681 -6.449 7.783 1.00 0.00 O ATOM 0 H TYR A 60 -2.446 -5.136 1.037 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.858 -3.863 2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.998 -3.535 3.123 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.265 -2.369 3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.596 -3.795 4.211 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.498 -4.835 4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.299 -5.118 6.187 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.201 -6.156 6.950 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.892 -6.847 8.207 1.00 0.00 H new ATOM 908 N TYR A 61 -4.581 -2.194 0.361 1.00 0.00 N ATOM 909 CA TYR A 61 -4.457 -1.211 -0.697 1.00 0.00 C ATOM 910 C TYR A 61 -4.512 0.191 -0.107 1.00 0.00 C ATOM 911 O TYR A 61 -5.588 0.769 0.028 1.00 0.00 O ATOM 912 CB TYR A 61 -5.577 -1.415 -1.714 1.00 0.00 C ATOM 913 CG TYR A 61 -5.565 -2.780 -2.358 1.00 0.00 C ATOM 914 CD1 TYR A 61 -4.665 -3.056 -3.395 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.453 -3.770 -1.919 1.00 0.00 C ATOM 916 CE1 TYR A 61 -4.655 -4.323 -3.994 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.441 -5.036 -2.517 1.00 0.00 C ATOM 918 CZ TYR A 61 -5.543 -5.312 -3.555 1.00 0.00 C ATOM 919 OH TYR A 61 -5.532 -6.545 -4.137 1.00 0.00 O ATOM 0 H TYR A 61 -5.538 -2.355 0.675 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.499 -1.333 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.537 -1.263 -1.221 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.494 -0.655 -2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.979 -2.293 -3.733 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.147 -3.557 -1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.962 -4.536 -4.794 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.125 -5.800 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.080 -7.162 -3.607 1.00 0.00 H new ATOM 929 N PHE A 62 -3.345 0.739 0.243 1.00 0.00 N ATOM 930 CA PHE A 62 -3.268 2.068 0.814 1.00 0.00 C ATOM 931 C PHE A 62 -3.357 3.111 -0.290 1.00 0.00 C ATOM 932 O PHE A 62 -2.654 3.019 -1.294 1.00 0.00 O ATOM 933 CB PHE A 62 -1.962 2.210 1.590 1.00 0.00 C ATOM 934 CG PHE A 62 -1.785 1.170 2.670 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.216 -0.071 2.361 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.192 1.446 3.982 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.054 -1.036 3.361 1.00 0.00 C ATOM 938 CE2 PHE A 62 -2.029 0.481 4.982 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.461 -0.760 4.672 1.00 0.00 C ATOM 0 H PHE A 62 -2.443 0.274 0.137 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.102 2.224 1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.126 2.144 0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.923 3.201 2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.902 -0.284 1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.631 2.403 4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.615 -1.993 3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.342 0.694 5.994 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.337 -1.505 5.444 1.00 0.00 H new ATOM 949 N THR A 63 -4.227 4.106 -0.104 1.00 0.00 N ATOM 950 CA THR A 63 -4.401 5.159 -1.084 1.00 0.00 C ATOM 951 C THR A 63 -3.942 6.489 -0.503 1.00 0.00 C ATOM 952 O THR A 63 -4.762 7.305 -0.088 1.00 0.00 O ATOM 953 CB THR A 63 -5.868 5.227 -1.500 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.477 3.975 -1.282 1.00 0.00 O ATOM 955 CG2 THR A 63 -5.960 5.588 -2.980 1.00 0.00 C ATOM 0 H THR A 63 -4.819 4.197 0.721 1.00 0.00 H new ATOM 0 HA THR A 63 -3.796 4.944 -1.965 1.00 0.00 H new ATOM 0 HB THR A 63 -6.379 5.986 -0.908 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.419 4.019 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.007 5.637 -3.278 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.489 6.557 -3.148 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.449 4.829 -3.572 1.00 0.00 H new ATOM 963 N ILE A 64 -2.625 6.705 -0.476 1.00 0.00 N ATOM 964 CA ILE A 64 -2.060 7.932 0.050 1.00 0.00 C ATOM 965 C ILE A 64 -1.689 8.861 -1.098 1.00 0.00 C ATOM 966 O ILE A 64 -1.914 8.534 -2.261 1.00 0.00 O ATOM 967 CB ILE A 64 -0.836 7.604 0.900 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.421 7.700 0.041 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.967 6.189 1.455 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.332 6.696 -1.105 1.00 0.00 C ATOM 0 H ILE A 64 -1.933 6.037 -0.816 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.795 8.437 0.677 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.766 8.313 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.528 8.710 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.305 7.499 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.093 5.954 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.865 6.121 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.037 5.480 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.230 6.764 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.245 5.688 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.543 6.918 -1.716 1.00 0.00 H new ATOM 982 N GLU A 65 -1.118 10.022 -0.768 1.00 0.00 N ATOM 983 CA GLU A 65 -0.719 10.987 -1.773 1.00 0.00 C ATOM 984 C GLU A 65 0.666 11.531 -1.450 1.00 0.00 C ATOM 985 O GLU A 65 0.964 11.836 -0.297 1.00 0.00 O ATOM 986 CB GLU A 65 -1.744 12.116 -1.827 1.00 0.00 C ATOM 987 CG GLU A 65 -1.100 13.359 -2.434 1.00 0.00 C ATOM 988 CD GLU A 65 -2.088 14.105 -3.320 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.462 13.527 -4.363 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.450 15.238 -2.936 1.00 0.00 O ATOM 0 H GLU A 65 -0.925 10.309 0.192 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.677 10.503 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.605 11.812 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.111 12.336 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.750 14.017 -1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.226 13.072 -3.019 1.00 0.00 H new ATOM 997 N VAL A 66 1.514 11.652 -2.475 1.00 0.00 N ATOM 998 CA VAL A 66 2.860 12.157 -2.297 1.00 0.00 C ATOM 999 C VAL A 66 3.163 13.197 -3.365 1.00 0.00 C ATOM 1000 O VAL A 66 2.595 13.156 -4.455 1.00 0.00 O ATOM 1001 CB VAL A 66 3.851 10.999 -2.373 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.194 9.730 -1.839 1.00 0.00 C ATOM 1003 CG2 VAL A 66 4.270 10.783 -3.825 1.00 0.00 C ATOM 0 H VAL A 66 1.282 11.404 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 66 2.950 12.631 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 66 4.730 11.233 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.902 8.903 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.895 9.884 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.315 9.495 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.978 9.956 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.391 10.549 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.740 11.689 -4.207 1.00 0.00 H new ATOM 1013 N LYS A 67 4.063 14.133 -3.052 1.00 0.00 N ATOM 1014 CA LYS A 67 4.436 15.177 -3.985 1.00 0.00 C ATOM 1015 C LYS A 67 5.677 14.760 -4.761 1.00 0.00 C ATOM 1016 O LYS A 67 6.751 14.604 -4.184 1.00 0.00 O ATOM 1017 CB LYS A 67 4.686 16.474 -3.223 1.00 0.00 C ATOM 1018 CG LYS A 67 5.842 16.275 -2.246 1.00 0.00 C ATOM 1019 CD LYS A 67 5.440 16.791 -0.868 1.00 0.00 C ATOM 1020 CE LYS A 67 6.136 18.123 -0.600 1.00 0.00 C ATOM 1021 NZ LYS A 67 5.428 18.889 0.437 1.00 0.00 N ATOM 0 H LYS A 67 4.544 14.181 -2.154 1.00 0.00 H new ATOM 0 HA LYS A 67 3.626 15.339 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.919 17.279 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.787 16.771 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.105 15.219 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.726 16.805 -2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.359 16.917 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.713 16.065 -0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.164 17.943 -0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.181 18.705 -1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.921 19.790 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.454 19.079 0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.407 18.340 1.320 1.00 0.00 H new ATOM 1035 N GLU A 68 5.527 14.576 -6.075 1.00 0.00 N ATOM 1036 CA GLU A 68 6.635 14.179 -6.920 1.00 0.00 C ATOM 1037 C GLU A 68 7.219 15.399 -7.617 1.00 0.00 C ATOM 1038 O GLU A 68 6.500 16.150 -8.273 1.00 0.00 O ATOM 1039 CB GLU A 68 6.151 13.153 -7.941 1.00 0.00 C ATOM 1040 CG GLU A 68 7.146 13.077 -9.096 1.00 0.00 C ATOM 1041 CD GLU A 68 7.460 11.630 -9.447 1.00 0.00 C ATOM 1042 OE1 GLU A 68 6.569 10.783 -9.217 1.00 0.00 O ATOM 1043 OE2 GLU A 68 8.585 11.397 -9.940 1.00 0.00 O ATOM 0 H GLU A 68 4.643 14.698 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 68 7.417 13.727 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.049 12.175 -7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.165 13.432 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.737 13.586 -9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.065 13.597 -8.825 1.00 0.00 H new ATOM 1050 N GLY A 69 8.533 15.597 -7.474 1.00 0.00 N ATOM 1051 CA GLY A 69 9.204 16.723 -8.091 1.00 0.00 C ATOM 1052 C GLY A 69 8.455 18.013 -7.789 1.00 0.00 C ATOM 1053 O GLY A 69 8.348 18.419 -6.634 1.00 0.00 O ATOM 0 H GLY A 69 9.145 14.986 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.227 16.793 -7.721 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.264 16.573 -9.169 1.00 0.00 H new ATOM 1057 N ASP A 70 7.935 18.659 -8.836 1.00 0.00 N ATOM 1058 CA ASP A 70 7.200 19.898 -8.681 1.00 0.00 C ATOM 1059 C ASP A 70 5.708 19.633 -8.818 1.00 0.00 C ATOM 1060 O ASP A 70 4.993 20.411 -9.446 1.00 0.00 O ATOM 1061 CB ASP A 70 7.670 20.901 -9.732 1.00 0.00 C ATOM 1062 CG ASP A 70 9.102 21.341 -9.460 1.00 0.00 C ATOM 1063 OD1 ASP A 70 10.014 20.623 -9.921 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.256 22.389 -8.796 1.00 0.00 O ATOM 0 H ASP A 70 8.015 18.336 -9.800 1.00 0.00 H new ATOM 0 HA ASP A 70 7.385 20.314 -7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.605 20.453 -10.723 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.012 21.770 -9.731 1.00 0.00 H new ATOM 1069 N ALA A 71 5.240 18.530 -8.231 1.00 0.00 N ATOM 1070 CA ALA A 71 3.837 18.168 -8.292 1.00 0.00 C ATOM 1071 C ALA A 71 3.505 17.203 -7.162 1.00 0.00 C ATOM 1072 O ALA A 71 4.318 16.989 -6.265 1.00 0.00 O ATOM 1073 CB ALA A 71 3.534 17.538 -9.648 1.00 0.00 C ATOM 0 H ALA A 71 5.821 17.875 -7.708 1.00 0.00 H new ATOM 0 HA ALA A 71 3.221 19.060 -8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.480 17.265 -9.695 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.760 18.252 -10.440 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.146 16.645 -9.779 1.00 0.00 H new ATOM 1079 N LYS A 72 2.304 16.621 -7.207 1.00 0.00 N ATOM 1080 CA LYS A 72 1.872 15.684 -6.189 1.00 0.00 C ATOM 1081 C LYS A 72 0.599 14.982 -6.638 1.00 0.00 C ATOM 1082 O LYS A 72 -0.220 15.567 -7.345 1.00 0.00 O ATOM 1083 CB LYS A 72 1.644 16.429 -4.877 1.00 0.00 C ATOM 1084 CG LYS A 72 0.599 17.521 -5.088 1.00 0.00 C ATOM 1085 CD LYS A 72 1.299 18.854 -5.336 1.00 0.00 C ATOM 1086 CE LYS A 72 0.355 19.793 -6.082 1.00 0.00 C ATOM 1087 NZ LYS A 72 0.290 21.109 -5.427 1.00 0.00 N ATOM 0 H LYS A 72 1.618 16.788 -7.943 1.00 0.00 H new ATOM 0 HA LYS A 72 2.643 14.929 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.310 15.735 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.579 16.868 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.039 17.270 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.047 17.595 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.600 19.301 -4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.208 18.697 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.694 19.912 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.642 19.354 -6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.359 21.728 -5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.056 20.995 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.238 21.536 -5.410 1.00 0.00 H new ATOM 1101 N LYS A 73 0.434 13.723 -6.226 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.738 12.949 -6.588 1.00 0.00 C ATOM 1103 C LYS A 73 -0.908 11.786 -5.621 1.00 0.00 C ATOM 1104 O LYS A 73 -0.100 11.612 -4.707 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.590 12.443 -8.020 1.00 0.00 C ATOM 1106 CG LYS A 73 0.874 12.109 -8.292 1.00 0.00 C ATOM 1107 CD LYS A 73 1.506 13.225 -9.120 1.00 0.00 C ATOM 1108 CE LYS A 73 1.900 12.682 -10.491 1.00 0.00 C ATOM 1109 NZ LYS A 73 0.735 12.612 -11.386 1.00 0.00 N ATOM 0 H LYS A 73 1.103 13.224 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.626 13.578 -6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.210 11.559 -8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.938 13.200 -8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.412 11.991 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.949 11.160 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.804 14.051 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.383 13.620 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.664 13.321 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.338 11.690 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.030 12.240 -12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.017 11.983 -10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.333 13.563 -11.508 1.00 0.00 H new ATOM 1123 N LEU A 74 -1.959 10.991 -5.823 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.249 9.845 -4.963 1.00 0.00 C ATOM 1125 C LEU A 74 -1.672 8.544 -5.528 1.00 0.00 C ATOM 1126 O LEU A 74 -1.815 8.249 -6.712 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.763 9.709 -4.781 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.235 8.324 -4.292 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -5.084 8.441 -3.029 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -5.014 7.597 -5.382 1.00 0.00 C ATOM 0 H LEU A 74 -2.628 11.122 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.773 10.023 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.098 10.463 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.250 9.928 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.345 7.742 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.401 7.448 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.496 8.906 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.962 9.053 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.335 6.623 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.888 8.186 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.376 7.461 -6.256 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.013 7.772 -4.661 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.411 6.516 -5.063 1.00 0.00 C ATOM 1144 C TYR A 75 -1.021 5.372 -4.266 1.00 0.00 C ATOM 1145 O TYR A 75 -1.059 5.418 -3.038 1.00 0.00 O ATOM 1146 CB TYR A 75 1.097 6.585 -4.845 1.00 0.00 C ATOM 1147 CG TYR A 75 1.763 7.720 -5.585 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.417 9.045 -5.292 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.726 7.448 -6.565 1.00 0.00 C ATOM 1150 CE1 TYR A 75 2.035 10.097 -5.978 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.343 8.501 -7.250 1.00 0.00 C ATOM 1152 CZ TYR A 75 2.997 9.825 -6.957 1.00 0.00 C ATOM 1153 OH TYR A 75 3.599 10.851 -7.625 1.00 0.00 O ATOM 0 H TYR A 75 -0.887 8.003 -3.675 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.604 6.337 -6.121 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.297 6.690 -3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.545 5.643 -5.162 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.674 9.255 -4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.992 6.426 -6.792 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.769 11.119 -5.752 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.086 8.292 -8.005 1.00 0.00 H new ATOM 0 HH TYR A 75 4.242 10.489 -8.270 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.500 4.342 -4.968 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.102 3.194 -4.321 1.00 0.00 C ATOM 1165 C GLU A 76 -1.019 2.223 -3.871 1.00 0.00 C ATOM 1166 O GLU A 76 -0.588 1.368 -4.643 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.068 2.516 -5.288 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.776 3.577 -6.127 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.919 2.965 -6.924 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -4.614 2.309 -7.943 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -6.077 3.167 -6.499 1.00 0.00 O ATOM 0 H GLU A 76 -1.478 4.288 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.656 3.519 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.527 1.826 -5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.799 1.927 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.160 4.363 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.063 4.045 -6.806 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.581 2.357 -2.618 1.00 0.00 N ATOM 1179 CA ALA A 77 0.447 1.494 -2.072 1.00 0.00 C ATOM 1180 C ALA A 77 -0.165 0.166 -1.648 1.00 0.00 C ATOM 1181 O ALA A 77 -0.968 0.118 -0.718 1.00 0.00 O ATOM 1182 CB ALA A 77 1.113 2.186 -0.885 1.00 0.00 C ATOM 0 H ALA A 77 -0.929 3.060 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 77 1.203 1.296 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.887 1.538 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.562 3.123 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.366 2.392 -0.118 1.00 0.00 H new ATOM 1188 N LYS A 78 0.214 -0.914 -2.334 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.298 -2.233 -2.026 1.00 0.00 C ATOM 1190 C LYS A 78 0.816 -3.104 -1.461 1.00 0.00 C ATOM 1191 O LYS A 78 1.820 -3.344 -2.127 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.884 -2.859 -3.289 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.404 -4.257 -2.970 1.00 0.00 C ATOM 1194 CD LYS A 78 -0.696 -5.279 -3.853 1.00 0.00 C ATOM 1195 CE LYS A 78 -1.593 -6.499 -4.042 1.00 0.00 C ATOM 1196 NZ LYS A 78 -2.071 -6.593 -5.430 1.00 0.00 N ATOM 0 H LYS A 78 0.877 -0.891 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.085 -2.153 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.693 -2.238 -3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.124 -2.911 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.233 -4.489 -1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.480 -4.302 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.458 -4.836 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.249 -5.576 -3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.043 -7.403 -3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.444 -6.437 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.679 -7.431 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.615 -5.739 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.257 -6.675 -6.073 1.00 0.00 H new ATOM 1210 N VAL A 79 0.635 -3.576 -0.225 1.00 0.00 N ATOM 1211 CA VAL A 79 1.621 -4.415 0.425 1.00 0.00 C ATOM 1212 C VAL A 79 0.991 -5.746 0.811 1.00 0.00 C ATOM 1213 O VAL A 79 -0.204 -5.813 1.087 1.00 0.00 O ATOM 1214 CB VAL A 79 2.166 -3.698 1.657 1.00 0.00 C ATOM 1215 CG1 VAL A 79 3.395 -4.439 2.175 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.553 -2.270 1.284 1.00 0.00 C ATOM 0 H VAL A 79 -0.192 -3.385 0.340 1.00 0.00 H new ATOM 0 HA VAL A 79 2.446 -4.610 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 79 1.401 -3.677 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.784 -3.927 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.119 -5.459 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.161 -4.461 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.942 -1.757 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.318 -2.291 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.675 -1.740 0.914 1.00 0.00 H new ATOM 1226 N TRP A 80 1.800 -6.807 0.830 1.00 0.00 N ATOM 1227 CA TRP A 80 1.316 -8.127 1.183 1.00 0.00 C ATOM 1228 C TRP A 80 2.096 -8.664 2.375 1.00 0.00 C ATOM 1229 O TRP A 80 3.190 -9.201 2.215 1.00 0.00 O ATOM 1230 CB TRP A 80 1.458 -9.058 -0.019 1.00 0.00 C ATOM 1231 CG TRP A 80 0.625 -10.298 0.044 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.459 -10.470 0.833 1.00 0.00 C ATOM 1233 CD2 TRP A 80 0.783 -11.547 -0.695 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.978 -11.733 0.634 1.00 0.00 N ATOM 1235 CE2 TRP A 80 -0.248 -12.441 -0.301 1.00 0.00 C ATOM 1236 CE3 TRP A 80 1.694 -12.016 -1.659 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 -0.372 -13.728 -0.831 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 1.580 -13.305 -2.198 1.00 0.00 C ATOM 1239 CH2 TRP A 80 0.551 -14.162 -1.788 1.00 0.00 C ATOM 0 H TRP A 80 2.794 -6.769 0.603 1.00 0.00 H new ATOM 0 HA TRP A 80 0.264 -8.069 1.461 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.194 -8.506 -0.921 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.505 -9.345 -0.116 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.857 -9.733 1.514 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.799 -12.098 1.117 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.495 -11.372 -1.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.170 -14.379 -0.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.293 -13.641 -2.937 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.471 -15.153 -2.209 1.00 0.00 H new ATOM 1250 N GLU A 81 1.530 -8.515 3.574 1.00 0.00 N ATOM 1251 CA GLU A 81 2.172 -8.986 4.785 1.00 0.00 C ATOM 1252 C GLU A 81 1.445 -10.212 5.317 1.00 0.00 C ATOM 1253 O GLU A 81 0.324 -10.501 4.905 1.00 0.00 O ATOM 1254 CB GLU A 81 2.178 -7.868 5.823 1.00 0.00 C ATOM 1255 CG GLU A 81 0.941 -6.995 5.638 1.00 0.00 C ATOM 1256 CD GLU A 81 1.072 -6.122 4.398 1.00 0.00 C ATOM 1257 OE1 GLU A 81 2.140 -5.488 4.261 1.00 0.00 O ATOM 1258 OE2 GLU A 81 0.102 -6.106 3.610 1.00 0.00 O ATOM 0 H GLU A 81 0.625 -8.069 3.724 1.00 0.00 H new ATOM 0 HA GLU A 81 3.202 -9.269 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.191 -8.290 6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.080 -7.265 5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.056 -7.625 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.800 -6.366 6.517 1.00 0.00 H new ATOM 1265 N LYS A 82 2.089 -10.935 6.236 1.00 0.00 N ATOM 1266 CA LYS A 82 1.503 -12.125 6.819 1.00 0.00 C ATOM 1267 C LYS A 82 1.918 -12.246 8.278 1.00 0.00 C ATOM 1268 O LYS A 82 3.101 -12.384 8.580 1.00 0.00 O ATOM 1269 CB LYS A 82 1.946 -13.352 6.027 1.00 0.00 C ATOM 1270 CG LYS A 82 1.915 -13.032 4.535 1.00 0.00 C ATOM 1271 CD LYS A 82 2.687 -14.102 3.769 1.00 0.00 C ATOM 1272 CE LYS A 82 1.869 -14.553 2.561 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.719 -15.239 1.576 1.00 0.00 N ATOM 0 H LYS A 82 3.019 -10.709 6.588 1.00 0.00 H new ATOM 0 HA LYS A 82 0.416 -12.055 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.952 -13.647 6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.289 -14.194 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.884 -12.990 4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.354 -12.051 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.650 -13.708 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.894 -14.952 4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.071 -15.221 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.392 -13.689 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.140 -15.536 0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.465 -14.592 1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.154 -16.075 2.015 1.00 0.00 H new ATOM 1287 N PRO A 83 0.940 -12.193 9.185 1.00 0.00 N ATOM 1288 CA PRO A 83 1.145 -12.292 10.613 1.00 0.00 C ATOM 1289 C PRO A 83 1.503 -13.725 10.980 1.00 0.00 C ATOM 1290 O PRO A 83 2.442 -13.959 11.737 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.192 -11.888 11.231 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.201 -12.324 10.169 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.462 -12.032 8.865 1.00 0.00 C ATOM 0 HA PRO A 83 1.958 -11.659 10.968 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.365 -12.389 12.183 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.242 -10.816 11.421 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.456 -13.380 10.262 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.133 -11.763 10.241 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.768 -12.719 8.076 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.672 -11.023 8.509 1.00 0.00 H new ATOM 1301 N TRP A 84 0.751 -14.687 10.440 1.00 0.00 N ATOM 1302 CA TRP A 84 0.994 -16.089 10.714 1.00 0.00 C ATOM 1303 C TRP A 84 2.480 -16.391 10.584 1.00 0.00 C ATOM 1304 O TRP A 84 2.948 -17.433 11.037 1.00 0.00 O ATOM 1305 CB TRP A 84 0.181 -16.944 9.747 1.00 0.00 C ATOM 1306 CG TRP A 84 0.708 -16.987 8.349 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.721 -17.772 7.921 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.272 -16.227 7.181 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.940 -17.551 6.577 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.072 -16.606 6.069 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.719 -15.256 6.947 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.901 -16.054 4.797 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.899 -14.696 5.674 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.093 -15.091 4.600 1.00 0.00 C ATOM 0 H TRP A 84 -0.031 -14.511 9.810 1.00 0.00 H new ATOM 0 HA TRP A 84 0.685 -16.323 11.733 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.136 -17.962 10.134 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.841 -16.567 9.723 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.274 -18.466 8.536 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.655 -18.027 6.027 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.352 -14.936 7.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.529 -16.367 3.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.667 -13.953 5.521 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.238 -14.654 3.623 1.00 0.00 H new ATOM 1325 N MET A 85 3.223 -15.473 9.961 1.00 0.00 N ATOM 1326 CA MET A 85 4.649 -15.647 9.773 1.00 0.00 C ATOM 1327 C MET A 85 5.355 -14.303 9.887 1.00 0.00 C ATOM 1328 O MET A 85 6.550 -14.201 9.622 1.00 0.00 O ATOM 1329 CB MET A 85 4.909 -16.278 8.407 1.00 0.00 C ATOM 1330 CG MET A 85 4.574 -15.270 7.310 1.00 0.00 C ATOM 1331 SD MET A 85 5.440 -15.569 5.749 1.00 0.00 S ATOM 1332 CE MET A 85 4.946 -17.288 5.468 1.00 0.00 C ATOM 0 H MET A 85 2.851 -14.603 9.581 1.00 0.00 H new ATOM 0 HA MET A 85 5.041 -16.308 10.546 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.952 -16.584 8.328 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.303 -17.176 8.288 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.500 -15.290 7.128 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.819 -14.268 7.664 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.752 -17.820 4.964 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.737 -17.768 6.424 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.051 -17.312 4.847 1.00 0.00 H new ATOM 1342 N ASP A 86 4.609 -13.270 10.286 1.00 0.00 N ATOM 1343 CA ASP A 86 5.163 -11.939 10.434 1.00 0.00 C ATOM 1344 C ASP A 86 6.070 -11.626 9.253 1.00 0.00 C ATOM 1345 O ASP A 86 7.292 -11.637 9.386 1.00 0.00 O ATOM 1346 CB ASP A 86 5.934 -11.854 11.746 1.00 0.00 C ATOM 1347 CG ASP A 86 6.001 -10.418 12.246 1.00 0.00 C ATOM 1348 OD1 ASP A 86 6.618 -9.598 11.533 1.00 0.00 O ATOM 1349 OD2 ASP A 86 5.433 -10.167 13.331 1.00 0.00 O ATOM 0 H ASP A 86 3.617 -13.339 10.511 1.00 0.00 H new ATOM 0 HA ASP A 86 4.358 -11.204 10.454 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.453 -12.482 12.496 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.943 -12.241 11.605 1.00 0.00 H new ATOM 1354 N PHE A 87 5.470 -11.346 8.093 1.00 0.00 N ATOM 1355 CA PHE A 87 6.227 -11.032 6.899 1.00 0.00 C ATOM 1356 C PHE A 87 5.553 -9.894 6.145 1.00 0.00 C ATOM 1357 O PHE A 87 4.487 -9.429 6.540 1.00 0.00 O ATOM 1358 CB PHE A 87 6.330 -12.276 6.021 1.00 0.00 C ATOM 1359 CG PHE A 87 6.433 -11.967 4.547 1.00 0.00 C ATOM 1360 CD1 PHE A 87 5.271 -11.856 3.772 1.00 0.00 C ATOM 1361 CD2 PHE A 87 7.689 -11.796 3.952 1.00 0.00 C ATOM 1362 CE1 PHE A 87 5.366 -11.571 2.405 1.00 0.00 C ATOM 1363 CE2 PHE A 87 7.783 -11.511 2.585 1.00 0.00 C ATOM 1364 CZ PHE A 87 6.622 -11.399 1.812 1.00 0.00 C ATOM 0 H PHE A 87 4.458 -11.333 7.965 1.00 0.00 H new ATOM 0 HA PHE A 87 7.232 -10.713 7.175 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.203 -12.854 6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.456 -12.905 6.192 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.302 -11.990 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.585 -11.884 4.548 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.470 -11.484 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.752 -11.377 2.127 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.695 -11.180 0.757 1.00 0.00 H new ATOM 1374 N LYS A 88 6.180 -9.445 5.054 1.00 0.00 N ATOM 1375 CA LYS A 88 5.640 -8.366 4.252 1.00 0.00 C ATOM 1376 C LYS A 88 6.530 -8.123 3.043 1.00 0.00 C ATOM 1377 O LYS A 88 7.735 -8.360 3.095 1.00 0.00 O ATOM 1378 CB LYS A 88 5.532 -7.105 5.105 1.00 0.00 C ATOM 1379 CG LYS A 88 6.931 -6.600 5.446 1.00 0.00 C ATOM 1380 CD LYS A 88 7.096 -5.171 4.937 1.00 0.00 C ATOM 1381 CE LYS A 88 7.113 -4.208 6.120 1.00 0.00 C ATOM 1382 NZ LYS A 88 6.147 -3.117 5.927 1.00 0.00 N ATOM 0 H LYS A 88 7.065 -9.820 4.713 1.00 0.00 H new ATOM 0 HA LYS A 88 4.646 -8.636 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.977 -6.336 4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.978 -7.318 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.088 -6.633 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.683 -7.247 4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.021 -5.081 4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.280 -4.918 4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.877 -4.749 7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.114 -3.794 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.338 -2.359 6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.236 -2.741 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.182 -3.478 6.071 1.00 0.00 H new ATOM 1396 N GLU A 89 5.932 -7.650 1.946 1.00 0.00 N ATOM 1397 CA GLU A 89 6.673 -7.379 0.731 1.00 0.00 C ATOM 1398 C GLU A 89 5.904 -6.391 -0.136 1.00 0.00 C ATOM 1399 O GLU A 89 4.749 -6.635 -0.483 1.00 0.00 O ATOM 1400 CB GLU A 89 6.913 -8.685 -0.020 1.00 0.00 C ATOM 1401 CG GLU A 89 7.882 -8.439 -1.172 1.00 0.00 C ATOM 1402 CD GLU A 89 9.323 -8.620 -0.719 1.00 0.00 C ATOM 1403 OE1 GLU A 89 9.680 -7.991 0.301 1.00 0.00 O ATOM 1404 OE2 GLU A 89 10.041 -9.385 -1.398 1.00 0.00 O ATOM 0 H GLU A 89 4.934 -7.449 1.884 1.00 0.00 H new ATOM 0 HA GLU A 89 7.637 -6.936 0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.319 -9.437 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.970 -9.076 -0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.664 -9.127 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.743 -7.430 -1.560 1.00 0.00 H new ATOM 1411 N LEU A 90 6.549 -5.277 -0.484 1.00 0.00 N ATOM 1412 CA LEU A 90 5.927 -4.239 -1.304 1.00 0.00 C ATOM 1413 C LEU A 90 5.601 -4.740 -2.714 1.00 0.00 C ATOM 1414 O LEU A 90 6.438 -5.341 -3.383 1.00 0.00 O ATOM 1415 CB LEU A 90 6.853 -3.023 -1.384 1.00 0.00 C ATOM 1416 CG LEU A 90 6.167 -1.712 -1.826 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.532 -1.857 -3.206 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.120 -1.277 -0.808 1.00 0.00 C ATOM 0 H LEU A 90 7.509 -5.070 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 90 4.986 -3.960 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.308 -2.866 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.662 -3.245 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 90 6.937 -0.943 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.057 -0.917 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.301 -2.109 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.783 -2.649 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.651 -0.351 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.362 -2.054 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.598 -1.114 0.158 1.00 0.00 H new ATOM 1430 N GLN A 91 4.366 -4.489 -3.154 1.00 0.00 N ATOM 1431 CA GLN A 91 3.921 -4.912 -4.466 1.00 0.00 C ATOM 1432 C GLN A 91 3.985 -3.741 -5.436 1.00 0.00 C ATOM 1433 O GLN A 91 4.427 -3.896 -6.573 1.00 0.00 O ATOM 1434 CB GLN A 91 2.499 -5.456 -4.369 1.00 0.00 C ATOM 1435 CG GLN A 91 2.519 -6.811 -3.666 1.00 0.00 C ATOM 1436 CD GLN A 91 1.929 -7.893 -4.559 1.00 0.00 C ATOM 1437 OE1 GLN A 91 1.046 -7.620 -5.369 1.00 0.00 O ATOM 1438 NE2 GLN A 91 2.421 -9.125 -4.409 1.00 0.00 N ATOM 0 H GLN A 91 3.660 -3.992 -2.611 1.00 0.00 H new ATOM 0 HA GLN A 91 4.574 -5.702 -4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.868 -4.758 -3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.068 -5.558 -5.365 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.543 -7.072 -3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.953 -6.752 -2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.154 -9.301 -3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.064 -9.890 -4.981 1.00 0.00 H new ATOM 1447 N GLU A 92 3.544 -2.565 -4.984 1.00 0.00 N ATOM 1448 CA GLU A 92 3.556 -1.376 -5.813 1.00 0.00 C ATOM 1449 C GLU A 92 2.700 -0.291 -5.176 1.00 0.00 C ATOM 1450 O GLU A 92 1.619 -0.568 -4.660 1.00 0.00 O ATOM 1451 CB GLU A 92 3.038 -1.724 -7.206 1.00 0.00 C ATOM 1452 CG GLU A 92 4.198 -1.712 -8.197 1.00 0.00 C ATOM 1453 CD GLU A 92 3.902 -2.606 -9.393 1.00 0.00 C ATOM 1454 OE1 GLU A 92 4.091 -3.832 -9.244 1.00 0.00 O ATOM 1455 OE2 GLU A 92 3.491 -2.046 -10.431 1.00 0.00 O ATOM 0 H GLU A 92 3.175 -2.419 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 92 4.576 -1.000 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.565 -2.706 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.276 -1.007 -7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.380 -0.692 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.108 -2.051 -7.702 1.00 0.00 H new ATOM 1462 N PHE A 93 3.188 0.952 -5.214 1.00 0.00 N ATOM 1463 CA PHE A 93 2.467 2.072 -4.642 1.00 0.00 C ATOM 1464 C PHE A 93 2.453 3.233 -5.627 1.00 0.00 C ATOM 1465 O PHE A 93 3.368 4.053 -5.637 1.00 0.00 O ATOM 1466 CB PHE A 93 3.128 2.483 -3.330 1.00 0.00 C ATOM 1467 CG PHE A 93 4.206 3.527 -3.499 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.441 3.173 -4.055 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.972 4.847 -3.097 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.442 4.140 -4.210 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.972 5.814 -3.251 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.208 5.461 -3.809 1.00 0.00 C ATOM 0 H PHE A 93 4.082 1.199 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 93 1.436 1.782 -4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.365 2.867 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.559 1.600 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.622 2.154 -4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.019 5.120 -2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.395 3.867 -4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.791 6.832 -2.940 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.979 6.207 -3.930 1.00 0.00 H new ATOM 1482 N LYS A 94 1.408 3.300 -6.456 1.00 0.00 N ATOM 1483 CA LYS A 94 1.280 4.359 -7.438 1.00 0.00 C ATOM 1484 C LYS A 94 -0.171 4.481 -7.881 1.00 0.00 C ATOM 1485 O LYS A 94 -1.001 3.645 -7.535 1.00 0.00 O ATOM 1486 CB LYS A 94 2.186 4.059 -8.628 1.00 0.00 C ATOM 1487 CG LYS A 94 3.410 4.969 -8.577 1.00 0.00 C ATOM 1488 CD LYS A 94 4.325 4.659 -9.758 1.00 0.00 C ATOM 1489 CE LYS A 94 5.380 5.754 -9.887 1.00 0.00 C ATOM 1490 NZ LYS A 94 5.892 5.835 -11.263 1.00 0.00 N ATOM 0 H LYS A 94 0.641 2.628 -6.460 1.00 0.00 H new ATOM 0 HA LYS A 94 1.584 5.308 -6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.495 3.014 -8.609 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.643 4.214 -9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.101 6.014 -8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.946 4.822 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.806 3.691 -9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.741 4.592 -10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.950 6.713 -9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.203 5.554 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.608 6.587 -11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.322 4.926 -11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.109 6.049 -11.913 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.474 5.529 -8.651 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.797 5.806 -9.168 1.00 0.00 C ATOM 1506 C PRO A 95 -2.134 4.810 -10.268 1.00 0.00 C ATOM 1507 O PRO A 95 -3.187 4.907 -10.893 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.710 7.227 -9.723 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.248 7.332 -10.154 1.00 0.00 C ATOM 1510 CD PRO A 95 0.479 6.532 -9.078 1.00 0.00 C ATOM 0 HA PRO A 95 -2.576 5.719 -8.411 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.391 7.376 -10.561 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.964 7.972 -8.969 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.088 6.913 -11.147 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.091 8.367 -10.187 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.386 6.073 -9.472 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.780 7.170 -8.247 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.235 3.852 -10.505 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.439 2.847 -11.528 1.00 0.00 C ATOM 1520 C VAL A 96 -2.685 2.034 -11.208 1.00 0.00 C ATOM 1521 O VAL A 96 -2.587 0.901 -10.742 1.00 0.00 O ATOM 1522 CB VAL A 96 -0.210 1.945 -11.606 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -0.085 1.377 -13.018 1.00 0.00 C ATOM 1524 CG2 VAL A 96 1.038 2.757 -11.273 1.00 0.00 C ATOM 0 H VAL A 96 -0.357 3.759 -9.994 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.581 3.329 -12.495 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.313 1.127 -10.893 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.792 0.733 -13.075 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.977 0.798 -13.257 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.019 2.195 -13.731 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.916 2.114 -11.328 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.141 3.574 -11.987 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.949 3.164 -10.266 1.00 0.00 H new