USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 776 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 79 TYR OH : rot 51:sc= 1.21 USER MOD Set 1.2: A 84 GLN : amide:sc= 0.668 K(o=1.9,f=-3.2!) USER MOD Set 2.1: A 40 CYS SG : rot -35:sc= -0.232 USER MOD Set 2.2: A 59 TYR OH : rot 74:sc= -0.671 USER MOD Single : A 11 THR OG1 : rot 40:sc= 0.275 USER MOD Single : A 16 GLN : amide:sc= -3.95! K(o=-3.9!,f=-2.5) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.51) USER MOD Single : A 35 CYS SG : rot -140:sc= -4.9! USER MOD Single : A 36 MET CE :methyl -135:sc= -5.69! (180deg=-6.42!) USER MOD Single : A 41 LYS NZ :NH3+ -107:sc= 0.0191 (180deg=0) USER MOD Single : A 42 MET CE :methyl 142:sc= -1.58 (180deg=-6.76!) USER MOD Single : A 43 TYR OH : rot -15:sc= -1.65 USER MOD Single : A 46 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.017) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -146:sc= -0.445 (180deg=-1.98!) USER MOD Single : A 51 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.2) USER MOD Single : A 53 ASN : amide:sc= -0.744 X(o=-0.74,f=-1.1) USER MOD Single : A 54 SER OG : rot 50:sc= -0.412 USER MOD Single : A 56 SER OG : rot -23:sc= 0.805 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.427 K(o=-0.43,f=0.23) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 76 CYS SG : rot 162:sc= -5.7! USER MOD Single : A 83 THR OG1 : rot 180:sc=0.000378 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.25 K(o=-1.2,f=-2.4!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.36) USER MOD Single : A 91 LYS NZ :NH3+ -138:sc= 0.00172 (180deg=-1.16) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= 0.319 (180deg=0.266) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc=-0.00228 X(o=-0.0023,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.426 6.917 3.433 1.00 0.00 N ATOM 121 CA THR A 11 4.054 6.851 2.961 1.00 0.00 C ATOM 122 C THR A 11 3.081 7.131 4.109 1.00 0.00 C ATOM 123 O THR A 11 3.457 7.055 5.278 1.00 0.00 O ATOM 124 CB THR A 11 3.844 5.483 2.307 1.00 0.00 C ATOM 125 OG1 THR A 11 4.786 5.462 1.238 1.00 0.00 O ATOM 126 CG2 THR A 11 2.487 5.370 1.610 1.00 0.00 C ATOM 0 HA THR A 11 3.856 7.619 2.213 1.00 0.00 H new ATOM 0 HB THR A 11 3.930 4.702 3.062 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.625 5.873 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.389 4.381 1.163 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.690 5.520 2.339 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.414 6.129 0.831 1.00 0.00 H new ATOM 134 N ILE A 12 1.851 7.448 3.735 1.00 0.00 N ATOM 135 CA ILE A 12 0.822 7.739 4.718 1.00 0.00 C ATOM 136 C ILE A 12 -0.434 6.927 4.393 1.00 0.00 C ATOM 137 O ILE A 12 -0.916 6.950 3.261 1.00 0.00 O ATOM 138 CB ILE A 12 0.574 9.247 4.804 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.862 9.994 5.156 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.558 9.561 5.784 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.808 11.441 4.662 1.00 0.00 C ATOM 0 H ILE A 12 1.543 7.510 2.764 1.00 0.00 H new ATOM 0 HA ILE A 12 1.149 7.435 5.712 1.00 0.00 H new ATOM 0 HB ILE A 12 0.256 9.599 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.012 9.980 6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.716 9.485 4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.714 10.639 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.474 9.075 5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.293 9.193 6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.735 11.950 4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.683 11.451 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.968 11.954 5.130 1.00 0.00 H new ATOM 153 N LEU A 13 -0.928 6.230 5.405 1.00 0.00 N ATOM 154 CA LEU A 13 -2.118 5.412 5.240 1.00 0.00 C ATOM 155 C LEU A 13 -3.211 5.914 6.186 1.00 0.00 C ATOM 156 O LEU A 13 -2.979 6.062 7.385 1.00 0.00 O ATOM 157 CB LEU A 13 -1.780 3.931 5.421 1.00 0.00 C ATOM 158 CG LEU A 13 -2.817 2.937 4.894 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.835 2.579 5.978 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.491 3.469 3.628 1.00 0.00 C ATOM 0 H LEU A 13 -0.526 6.214 6.342 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.506 5.504 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.830 3.732 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.630 3.740 6.484 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.300 2.017 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.560 1.871 5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.320 2.129 6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.351 3.482 6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.224 2.744 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.992 4.411 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.739 3.632 2.856 1.00 0.00 H new ATOM 172 N LEU A 14 -4.379 6.162 5.611 1.00 0.00 N ATOM 173 CA LEU A 14 -5.508 6.644 6.388 1.00 0.00 C ATOM 174 C LEU A 14 -6.745 5.809 6.054 1.00 0.00 C ATOM 175 O LEU A 14 -6.676 4.888 5.241 1.00 0.00 O ATOM 176 CB LEU A 14 -5.704 8.146 6.174 1.00 0.00 C ATOM 177 CG LEU A 14 -4.950 8.759 4.992 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.442 8.771 5.250 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.302 8.043 3.686 1.00 0.00 C ATOM 0 H LEU A 14 -4.568 6.038 4.616 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.317 6.520 7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.768 8.338 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.399 8.665 7.083 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.267 9.797 4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.930 9.212 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.230 9.360 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.090 7.750 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.753 8.498 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.032 6.990 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.373 8.130 3.500 1.00 0.00 H new ATOM 191 N VAL A 15 -7.849 6.160 6.698 1.00 0.00 N ATOM 192 CA VAL A 15 -9.100 5.454 6.479 1.00 0.00 C ATOM 193 C VAL A 15 -10.268 6.371 6.845 1.00 0.00 C ATOM 194 O VAL A 15 -10.275 6.977 7.915 1.00 0.00 O ATOM 195 CB VAL A 15 -9.103 4.139 7.262 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.499 3.828 7.805 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.580 2.987 6.401 1.00 0.00 C ATOM 0 H VAL A 15 -7.903 6.924 7.372 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.211 5.190 5.427 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.431 4.253 8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.474 2.889 8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.818 4.631 8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.201 3.742 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.593 2.064 6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.215 2.872 5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.559 3.203 6.085 1.00 0.00 H new ATOM 207 N GLN A 16 -11.229 6.443 5.935 1.00 0.00 N ATOM 208 CA GLN A 16 -12.401 7.276 6.149 1.00 0.00 C ATOM 209 C GLN A 16 -13.671 6.511 5.772 1.00 0.00 C ATOM 210 O GLN A 16 -14.061 6.485 4.606 1.00 0.00 O ATOM 211 CB GLN A 16 -12.294 8.584 5.363 1.00 0.00 C ATOM 212 CG GLN A 16 -13.559 9.429 5.531 1.00 0.00 C ATOM 213 CD GLN A 16 -13.714 9.902 6.978 1.00 0.00 C ATOM 214 OE1 GLN A 16 -13.129 10.885 7.403 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.532 9.150 7.709 1.00 0.00 N ATOM 0 H GLN A 16 -11.220 5.939 5.049 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.455 7.530 7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.427 9.149 5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.135 8.366 4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.516 10.291 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.432 8.845 5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.990 8.340 7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.701 9.383 8.687 1.00 0.00 H new ATOM 224 N PRO A 17 -14.298 5.892 6.808 1.00 0.00 N ATOM 225 CA PRO A 17 -15.517 5.129 6.597 1.00 0.00 C ATOM 226 C PRO A 17 -16.714 6.057 6.382 1.00 0.00 C ATOM 227 O PRO A 17 -17.472 5.887 5.428 1.00 0.00 O ATOM 228 CB PRO A 17 -15.655 4.259 7.836 1.00 0.00 C ATOM 229 CG PRO A 17 -14.772 4.898 8.895 1.00 0.00 C ATOM 230 CD PRO A 17 -13.866 5.902 8.203 1.00 0.00 C ATOM 0 HA PRO A 17 -15.479 4.515 5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.692 4.214 8.168 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.341 3.235 7.631 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.381 5.392 9.652 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.180 4.139 9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.967 6.895 8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.818 5.618 8.295 1.00 0.00 H new ATOM 238 N THR A 18 -16.847 7.018 7.284 1.00 0.00 N ATOM 239 CA THR A 18 -17.939 7.973 7.204 1.00 0.00 C ATOM 240 C THR A 18 -17.401 9.376 6.916 1.00 0.00 C ATOM 241 O THR A 18 -16.457 9.537 6.144 1.00 0.00 O ATOM 242 CB THR A 18 -18.740 7.885 8.505 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.821 8.307 9.508 1.00 0.00 O ATOM 244 CG2 THR A 18 -19.075 6.442 8.890 1.00 0.00 C ATOM 0 H THR A 18 -16.217 7.156 8.074 1.00 0.00 H new ATOM 0 HA THR A 18 -18.609 7.740 6.376 1.00 0.00 H new ATOM 0 HB THR A 18 -19.662 8.457 8.402 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.259 8.282 10.384 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.644 6.436 9.820 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.668 5.983 8.099 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.152 5.878 9.025 1.00 0.00 H new ATOM 252 N LYS A 19 -18.025 10.357 7.553 1.00 0.00 N ATOM 253 CA LYS A 19 -17.621 11.741 7.374 1.00 0.00 C ATOM 254 C LYS A 19 -17.140 12.304 8.713 1.00 0.00 C ATOM 255 O LYS A 19 -16.172 13.062 8.760 1.00 0.00 O ATOM 256 CB LYS A 19 -18.751 12.552 6.737 1.00 0.00 C ATOM 257 CG LYS A 19 -18.959 12.148 5.276 1.00 0.00 C ATOM 258 CD LYS A 19 -18.715 13.334 4.340 1.00 0.00 C ATOM 259 CE LYS A 19 -17.362 13.207 3.637 1.00 0.00 C ATOM 260 NZ LYS A 19 -16.647 14.503 3.651 1.00 0.00 N ATOM 0 H LYS A 19 -18.807 10.220 8.193 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.783 11.806 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.674 12.398 7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.518 13.615 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.282 11.333 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.974 11.775 5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.511 13.386 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.748 14.263 4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.758 12.446 4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.509 12.877 2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.731 14.399 3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.218 15.220 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.490 14.802 4.635 1.00 0.00 H new ATOM 274 N ARG A 20 -17.837 11.911 9.769 1.00 0.00 N ATOM 275 CA ARG A 20 -17.493 12.366 11.105 1.00 0.00 C ATOM 276 C ARG A 20 -15.987 12.236 11.339 1.00 0.00 C ATOM 277 O ARG A 20 -15.351 11.321 10.818 1.00 0.00 O ATOM 278 CB ARG A 20 -18.239 11.560 12.171 1.00 0.00 C ATOM 279 CG ARG A 20 -19.746 11.810 12.092 1.00 0.00 C ATOM 280 CD ARG A 20 -20.384 11.755 13.482 1.00 0.00 C ATOM 281 NE ARG A 20 -21.301 12.903 13.664 1.00 0.00 N ATOM 282 CZ ARG A 20 -22.274 12.949 14.584 1.00 0.00 C ATOM 283 NH1 ARG A 20 -22.463 11.912 15.411 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.057 14.032 14.677 1.00 0.00 N ATOM 0 H ARG A 20 -18.639 11.282 9.726 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.788 13.412 11.184 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.035 10.498 12.037 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.873 11.833 13.161 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.934 12.784 11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.209 11.064 11.446 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.930 10.820 13.604 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.609 11.773 14.248 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.185 13.710 13.051 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.866 11.088 15.340 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -23.204 11.947 16.111 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.912 14.821 14.047 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.798 14.067 15.377 1.00 0.00 H new ATOM 298 N PRO A 21 -15.445 13.190 12.143 1.00 0.00 N ATOM 299 CA PRO A 21 -14.026 13.191 12.452 1.00 0.00 C ATOM 300 C PRO A 21 -13.684 12.096 13.464 1.00 0.00 C ATOM 301 O PRO A 21 -12.514 11.875 13.774 1.00 0.00 O ATOM 302 CB PRO A 21 -13.737 14.590 12.971 1.00 0.00 C ATOM 303 CG PRO A 21 -15.083 15.172 13.371 1.00 0.00 C ATOM 304 CD PRO A 21 -16.168 14.289 12.777 1.00 0.00 C ATOM 0 HA PRO A 21 -13.407 12.967 11.583 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.057 14.558 13.822 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.260 15.200 12.204 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.175 15.211 14.456 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.180 16.194 13.006 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.847 13.924 13.547 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.772 14.836 12.053 1.00 0.00 H new ATOM 312 N GLU A 22 -14.726 11.438 13.950 1.00 0.00 N ATOM 313 CA GLU A 22 -14.551 10.371 14.920 1.00 0.00 C ATOM 314 C GLU A 22 -14.370 9.029 14.207 1.00 0.00 C ATOM 315 O GLU A 22 -14.860 8.002 14.674 1.00 0.00 O ATOM 316 CB GLU A 22 -15.728 10.318 15.896 1.00 0.00 C ATOM 317 CG GLU A 22 -15.831 11.614 16.702 1.00 0.00 C ATOM 318 CD GLU A 22 -15.246 11.435 18.104 1.00 0.00 C ATOM 319 OE1 GLU A 22 -14.000 11.455 18.207 1.00 0.00 O ATOM 320 OE2 GLU A 22 -16.058 11.283 19.043 1.00 0.00 O ATOM 0 H GLU A 22 -15.695 11.623 13.690 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.651 10.578 15.499 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.654 10.153 15.346 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.605 9.473 16.574 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.302 12.413 16.182 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.875 11.919 16.776 1.00 0.00 H new ATOM 327 N GLY A 23 -13.664 9.082 13.087 1.00 0.00 N ATOM 328 CA GLY A 23 -13.412 7.883 12.304 1.00 0.00 C ATOM 329 C GLY A 23 -12.399 8.159 11.191 1.00 0.00 C ATOM 330 O GLY A 23 -12.486 7.578 10.110 1.00 0.00 O ATOM 0 H GLY A 23 -13.259 9.936 12.703 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.038 7.092 12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.346 7.524 11.870 1.00 0.00 H new ATOM 334 N ARG A 24 -11.461 9.045 11.494 1.00 0.00 N ATOM 335 CA ARG A 24 -10.433 9.404 10.532 1.00 0.00 C ATOM 336 C ARG A 24 -9.067 9.476 11.217 1.00 0.00 C ATOM 337 O ARG A 24 -8.852 10.310 12.095 1.00 0.00 O ATOM 338 CB ARG A 24 -10.739 10.752 9.876 1.00 0.00 C ATOM 339 CG ARG A 24 -10.839 11.862 10.926 1.00 0.00 C ATOM 340 CD ARG A 24 -9.655 12.825 10.820 1.00 0.00 C ATOM 341 NE ARG A 24 -10.141 14.223 10.795 1.00 0.00 N ATOM 342 CZ ARG A 24 -9.409 15.264 10.376 1.00 0.00 C ATOM 343 NH1 ARG A 24 -8.156 15.072 9.944 1.00 0.00 N ATOM 344 NH2 ARG A 24 -9.932 16.498 10.388 1.00 0.00 N ATOM 0 H ARG A 24 -11.392 9.524 12.392 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.416 8.633 9.761 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.958 10.996 9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.675 10.686 9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.772 12.410 10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.867 11.423 11.923 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.981 12.680 11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.083 12.614 9.916 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.092 14.405 11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.758 14.133 9.934 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.599 15.865 9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.887 16.644 10.716 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.375 17.291 10.069 1.00 0.00 H new ATOM 358 N THR A 25 -8.179 8.590 10.791 1.00 0.00 N ATOM 359 CA THR A 25 -6.840 8.543 11.352 1.00 0.00 C ATOM 360 C THR A 25 -5.814 8.237 10.260 1.00 0.00 C ATOM 361 O THR A 25 -6.096 7.481 9.331 1.00 0.00 O ATOM 362 CB THR A 25 -6.840 7.519 12.489 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.538 7.630 13.057 1.00 0.00 O ATOM 364 CG2 THR A 25 -6.902 6.078 11.979 1.00 0.00 C ATOM 0 H THR A 25 -8.361 7.899 10.063 1.00 0.00 H new ATOM 0 HA THR A 25 -6.550 9.509 11.764 1.00 0.00 H new ATOM 0 HB THR A 25 -7.688 7.708 13.147 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.452 7.001 13.804 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.899 5.392 12.826 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.814 5.936 11.400 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.036 5.878 11.347 1.00 0.00 H new ATOM 372 N TYR A 26 -4.643 8.841 10.406 1.00 0.00 N ATOM 373 CA TYR A 26 -3.574 8.643 9.443 1.00 0.00 C ATOM 374 C TYR A 26 -2.404 7.882 10.071 1.00 0.00 C ATOM 375 O TYR A 26 -2.195 7.948 11.281 1.00 0.00 O ATOM 376 CB TYR A 26 -3.101 10.043 9.044 1.00 0.00 C ATOM 377 CG TYR A 26 -3.981 10.721 7.993 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.350 10.763 8.162 1.00 0.00 C ATOM 379 CD2 TYR A 26 -3.406 11.291 6.875 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.178 11.402 7.172 1.00 0.00 C ATOM 381 CE2 TYR A 26 -4.234 11.929 5.885 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.579 11.953 6.083 1.00 0.00 C ATOM 383 OH TYR A 26 -6.362 12.556 5.148 1.00 0.00 O ATOM 0 H TYR A 26 -4.412 9.468 11.177 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.928 8.062 8.591 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.067 10.671 9.934 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.082 9.976 8.662 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.800 10.317 9.036 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.335 11.258 6.743 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.251 11.443 7.292 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.797 12.378 5.005 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.799 12.906 4.426 1.00 0.00 H new ATOM 393 N ALA A 27 -1.673 7.177 9.220 1.00 0.00 N ATOM 394 CA ALA A 27 -0.531 6.405 9.677 1.00 0.00 C ATOM 395 C ALA A 27 0.668 6.689 8.769 1.00 0.00 C ATOM 396 O ALA A 27 0.544 7.410 7.780 1.00 0.00 O ATOM 397 CB ALA A 27 -0.898 4.920 9.709 1.00 0.00 C ATOM 0 H ALA A 27 -1.850 7.125 8.217 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.253 6.695 10.691 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.041 4.341 10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.735 4.767 10.390 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.180 4.593 8.708 1.00 0.00 H new ATOM 403 N ASP A 28 1.800 6.107 9.137 1.00 0.00 N ATOM 404 CA ASP A 28 3.019 6.289 8.367 1.00 0.00 C ATOM 405 C ASP A 28 3.800 4.974 8.340 1.00 0.00 C ATOM 406 O ASP A 28 3.797 4.225 9.316 1.00 0.00 O ATOM 407 CB ASP A 28 3.914 7.358 8.998 1.00 0.00 C ATOM 408 CG ASP A 28 4.071 7.255 10.517 1.00 0.00 C ATOM 409 OD1 ASP A 28 4.629 6.229 10.962 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.629 8.206 11.198 1.00 0.00 O ATOM 0 H ASP A 28 1.899 5.509 9.958 1.00 0.00 H new ATOM 0 HA ASP A 28 2.740 6.601 7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.902 7.300 8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.508 8.340 8.755 1.00 0.00 H new ATOM 415 N TYR A 29 4.451 4.733 7.211 1.00 0.00 N ATOM 416 CA TYR A 29 5.235 3.521 7.044 1.00 0.00 C ATOM 417 C TYR A 29 6.597 3.831 6.420 1.00 0.00 C ATOM 418 O TYR A 29 6.914 4.990 6.157 1.00 0.00 O ATOM 419 CB TYR A 29 4.439 2.633 6.085 1.00 0.00 C ATOM 420 CG TYR A 29 3.183 2.017 6.706 1.00 0.00 C ATOM 421 CD1 TYR A 29 2.020 2.756 6.788 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.214 0.723 7.184 1.00 0.00 C ATOM 423 CE1 TYR A 29 0.839 2.176 7.372 1.00 0.00 C ATOM 424 CE2 TYR A 29 2.032 0.143 7.768 1.00 0.00 C ATOM 425 CZ TYR A 29 0.903 0.898 7.833 1.00 0.00 C ATOM 426 OH TYR A 29 -0.213 0.351 8.385 1.00 0.00 O ATOM 0 H TYR A 29 4.451 5.356 6.404 1.00 0.00 H new ATOM 0 HA TYR A 29 5.412 3.043 8.007 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.150 3.223 5.215 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.085 1.832 5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.996 3.769 6.414 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.124 0.145 7.120 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.077 2.743 7.443 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.042 -0.869 8.146 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.021 -0.567 8.670 1.00 0.00 H new ATOM 436 N GLU A 30 7.366 2.775 6.201 1.00 0.00 N ATOM 437 CA GLU A 30 8.687 2.920 5.613 1.00 0.00 C ATOM 438 C GLU A 30 8.642 2.592 4.119 1.00 0.00 C ATOM 439 O GLU A 30 9.417 3.139 3.336 1.00 0.00 O ATOM 440 CB GLU A 30 9.709 2.041 6.336 1.00 0.00 C ATOM 441 CG GLU A 30 9.255 0.580 6.362 1.00 0.00 C ATOM 442 CD GLU A 30 10.370 -0.332 6.879 1.00 0.00 C ATOM 443 OE1 GLU A 30 10.571 -0.339 8.112 1.00 0.00 O ATOM 444 OE2 GLU A 30 10.995 -1.001 6.028 1.00 0.00 O ATOM 0 H GLU A 30 7.100 1.815 6.420 1.00 0.00 H new ATOM 0 HA GLU A 30 9.002 3.957 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.676 2.116 5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.847 2.401 7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.375 0.480 6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.961 0.269 5.359 1.00 0.00 H new ATOM 451 N SER A 31 7.726 1.701 3.768 1.00 0.00 N ATOM 452 CA SER A 31 7.569 1.294 2.382 1.00 0.00 C ATOM 453 C SER A 31 6.092 1.340 1.987 1.00 0.00 C ATOM 454 O SER A 31 5.215 1.339 2.850 1.00 0.00 O ATOM 455 CB SER A 31 8.137 -0.107 2.152 1.00 0.00 C ATOM 456 OG SER A 31 9.200 -0.104 1.203 1.00 0.00 O ATOM 0 H SER A 31 7.085 1.249 4.420 1.00 0.00 H new ATOM 0 HA SER A 31 8.127 1.990 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.497 -0.512 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.343 -0.767 1.804 1.00 0.00 H new ATOM 0 HG SER A 31 9.536 -1.017 1.086 1.00 0.00 H new ATOM 462 N VAL A 32 5.862 1.377 0.683 1.00 0.00 N ATOM 463 CA VAL A 32 4.506 1.423 0.163 1.00 0.00 C ATOM 464 C VAL A 32 3.795 0.107 0.489 1.00 0.00 C ATOM 465 O VAL A 32 2.655 0.111 0.950 1.00 0.00 O ATOM 466 CB VAL A 32 4.530 1.734 -1.334 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.331 1.102 -2.045 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.579 3.244 -1.579 1.00 0.00 C ATOM 0 H VAL A 32 6.592 1.376 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 32 3.941 2.225 0.639 1.00 0.00 H new ATOM 0 HB VAL A 32 5.436 1.297 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.372 1.339 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.358 0.020 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.407 1.496 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.595 3.438 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.699 3.713 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.478 3.658 -1.122 1.00 0.00 H new ATOM 478 N ASN A 33 4.499 -0.987 0.237 1.00 0.00 N ATOM 479 CA ASN A 33 3.949 -2.306 0.497 1.00 0.00 C ATOM 480 C ASN A 33 3.379 -2.345 1.916 1.00 0.00 C ATOM 481 O ASN A 33 2.247 -2.779 2.122 1.00 0.00 O ATOM 482 CB ASN A 33 5.031 -3.384 0.392 1.00 0.00 C ATOM 483 CG ASN A 33 5.845 -3.220 -0.892 1.00 0.00 C ATOM 484 OD1 ASN A 33 5.349 -2.793 -1.922 1.00 0.00 O ATOM 485 ND2 ASN A 33 7.119 -3.582 -0.775 1.00 0.00 N ATOM 0 H ASN A 33 5.445 -0.987 -0.144 1.00 0.00 H new ATOM 0 HA ASN A 33 3.173 -2.500 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.693 -3.326 1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.569 -4.371 0.410 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.745 -3.510 -1.577 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.470 -3.931 0.117 1.00 0.00 H new ATOM 492 N GLU A 34 4.189 -1.886 2.858 1.00 0.00 N ATOM 493 CA GLU A 34 3.780 -1.863 4.252 1.00 0.00 C ATOM 494 C GLU A 34 2.602 -0.905 4.444 1.00 0.00 C ATOM 495 O GLU A 34 1.702 -1.174 5.237 1.00 0.00 O ATOM 496 CB GLU A 34 4.950 -1.483 5.162 1.00 0.00 C ATOM 497 CG GLU A 34 6.154 -2.395 4.917 1.00 0.00 C ATOM 498 CD GLU A 34 5.910 -3.791 5.494 1.00 0.00 C ATOM 499 OE1 GLU A 34 5.206 -3.865 6.524 1.00 0.00 O ATOM 500 OE2 GLU A 34 6.433 -4.753 4.891 1.00 0.00 O ATOM 0 H GLU A 34 5.127 -1.527 2.683 1.00 0.00 H new ATOM 0 HA GLU A 34 3.457 -2.866 4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.233 -0.446 4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.642 -1.554 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.347 -2.469 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.043 -1.960 5.372 1.00 0.00 H new ATOM 507 N CYS A 35 2.647 0.192 3.703 1.00 0.00 N ATOM 508 CA CYS A 35 1.596 1.192 3.781 1.00 0.00 C ATOM 509 C CYS A 35 0.269 0.522 3.418 1.00 0.00 C ATOM 510 O CYS A 35 -0.695 0.593 4.178 1.00 0.00 O ATOM 511 CB CYS A 35 1.892 2.396 2.885 1.00 0.00 C ATOM 512 SG CYS A 35 0.374 3.391 2.653 1.00 0.00 S ATOM 0 H CYS A 35 3.395 0.410 3.045 1.00 0.00 H new ATOM 0 HA CYS A 35 1.538 1.585 4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.674 3.009 3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.266 2.058 1.919 1.00 0.00 H new ATOM 0 HG CYS A 35 0.308 3.801 1.421 1.00 0.00 H new ATOM 518 N MET A 36 0.262 -0.113 2.255 1.00 0.00 N ATOM 519 CA MET A 36 -0.930 -0.795 1.781 1.00 0.00 C ATOM 520 C MET A 36 -1.274 -1.986 2.678 1.00 0.00 C ATOM 521 O MET A 36 -2.441 -2.219 2.986 1.00 0.00 O ATOM 522 CB MET A 36 -0.704 -1.282 0.349 1.00 0.00 C ATOM 523 CG MET A 36 -1.763 -0.713 -0.598 1.00 0.00 C ATOM 524 SD MET A 36 -1.634 1.067 -0.658 1.00 0.00 S ATOM 525 CE MET A 36 0.082 1.237 -1.118 1.00 0.00 C ATOM 0 H MET A 36 1.064 -0.169 1.627 1.00 0.00 H new ATOM 0 HA MET A 36 -1.763 -0.092 1.808 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.289 -0.983 0.012 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.735 -2.371 0.322 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.631 -1.129 -1.597 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.758 -1.003 -0.261 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.550 2.005 -0.502 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.595 0.287 -0.966 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.151 1.523 -2.168 1.00 0.00 H new ATOM 535 N GLU A 37 -0.235 -2.708 3.072 1.00 0.00 N ATOM 536 CA GLU A 37 -0.412 -3.869 3.927 1.00 0.00 C ATOM 537 C GLU A 37 -1.521 -3.611 4.950 1.00 0.00 C ATOM 538 O GLU A 37 -2.507 -4.344 5.000 1.00 0.00 O ATOM 539 CB GLU A 37 0.898 -4.243 4.622 1.00 0.00 C ATOM 540 CG GLU A 37 1.088 -5.761 4.655 1.00 0.00 C ATOM 541 CD GLU A 37 2.072 -6.168 5.753 1.00 0.00 C ATOM 542 OE1 GLU A 37 1.737 -5.926 6.933 1.00 0.00 O ATOM 543 OE2 GLU A 37 3.137 -6.711 5.389 1.00 0.00 O ATOM 0 H GLU A 37 0.732 -2.511 2.815 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.708 -4.713 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.736 -3.779 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.899 -3.851 5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.127 -6.247 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.454 -6.106 3.688 1.00 0.00 H new ATOM 550 N GLY A 38 -1.321 -2.566 5.740 1.00 0.00 N ATOM 551 CA GLY A 38 -2.291 -2.202 6.758 1.00 0.00 C ATOM 552 C GLY A 38 -3.720 -2.426 6.259 1.00 0.00 C ATOM 553 O GLY A 38 -4.487 -3.167 6.872 1.00 0.00 O ATOM 0 H GLY A 38 -0.502 -1.960 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.119 -2.794 7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.158 -1.156 7.034 1.00 0.00 H new ATOM 557 N VAL A 39 -4.035 -1.771 5.151 1.00 0.00 N ATOM 558 CA VAL A 39 -5.358 -1.889 4.562 1.00 0.00 C ATOM 559 C VAL A 39 -5.810 -3.350 4.623 1.00 0.00 C ATOM 560 O VAL A 39 -6.812 -3.668 5.262 1.00 0.00 O ATOM 561 CB VAL A 39 -5.351 -1.324 3.141 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.672 -1.619 2.427 1.00 0.00 C ATOM 563 CG2 VAL A 39 -5.055 0.177 3.149 1.00 0.00 C ATOM 0 H VAL A 39 -3.397 -1.157 4.646 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.081 -1.301 5.127 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.553 -1.819 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.641 -1.206 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.824 -2.697 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.494 -1.164 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.056 0.553 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.820 0.696 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.078 0.353 3.599 1.00 0.00 H new ATOM 573 N CYS A 40 -5.050 -4.199 3.948 1.00 0.00 N ATOM 574 CA CYS A 40 -5.359 -5.619 3.917 1.00 0.00 C ATOM 575 C CYS A 40 -5.721 -6.063 5.335 1.00 0.00 C ATOM 576 O CYS A 40 -6.729 -6.738 5.540 1.00 0.00 O ATOM 577 CB CYS A 40 -4.202 -6.438 3.340 1.00 0.00 C ATOM 578 SG CYS A 40 -4.853 -7.896 2.446 1.00 0.00 S ATOM 0 H CYS A 40 -4.221 -3.931 3.418 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.207 -5.794 3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.610 -5.821 2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.538 -6.760 4.142 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.914 -8.339 3.053 1.00 0.00 H new ATOM 584 N LYS A 41 -4.879 -5.666 6.278 1.00 0.00 N ATOM 585 CA LYS A 41 -5.097 -6.015 7.672 1.00 0.00 C ATOM 586 C LYS A 41 -6.545 -5.700 8.051 1.00 0.00 C ATOM 587 O LYS A 41 -7.284 -6.583 8.485 1.00 0.00 O ATOM 588 CB LYS A 41 -4.063 -5.326 8.565 1.00 0.00 C ATOM 589 CG LYS A 41 -2.665 -5.410 7.950 1.00 0.00 C ATOM 590 CD LYS A 41 -1.585 -5.191 9.012 1.00 0.00 C ATOM 591 CE LYS A 41 -0.619 -6.376 9.065 1.00 0.00 C ATOM 592 NZ LYS A 41 0.576 -6.036 9.868 1.00 0.00 N ATOM 0 H LYS A 41 -4.044 -5.106 6.104 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.953 -7.085 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.339 -4.281 8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.059 -5.792 9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.528 -6.385 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.564 -4.662 7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.033 -4.277 8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.052 -5.054 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.120 -7.242 9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.318 -6.653 8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.392 -5.903 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.400 -5.158 10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.777 -6.808 10.535 1.00 0.00 H new ATOM 606 N MET A 42 -6.908 -4.438 7.874 1.00 0.00 N ATOM 607 CA MET A 42 -8.255 -3.995 8.192 1.00 0.00 C ATOM 608 C MET A 42 -9.279 -5.091 7.890 1.00 0.00 C ATOM 609 O MET A 42 -9.901 -5.633 8.803 1.00 0.00 O ATOM 610 CB MET A 42 -8.588 -2.745 7.374 1.00 0.00 C ATOM 611 CG MET A 42 -7.568 -1.635 7.629 1.00 0.00 C ATOM 612 SD MET A 42 -8.321 -0.039 7.357 1.00 0.00 S ATOM 613 CE MET A 42 -8.354 -0.012 5.573 1.00 0.00 C ATOM 0 H MET A 42 -6.293 -3.708 7.514 1.00 0.00 H new ATOM 0 HA MET A 42 -8.300 -3.766 9.257 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.602 -2.994 6.313 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.587 -2.392 7.632 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.195 -1.701 8.651 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.710 -1.759 6.968 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.277 0.457 5.233 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.501 0.556 5.202 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.304 -1.032 5.193 1.00 0.00 H new ATOM 623 N TYR A 43 -9.422 -5.385 6.606 1.00 0.00 N ATOM 624 CA TYR A 43 -10.359 -6.407 6.173 1.00 0.00 C ATOM 625 C TYR A 43 -10.088 -7.736 6.881 1.00 0.00 C ATOM 626 O TYR A 43 -10.980 -8.300 7.512 1.00 0.00 O ATOM 627 CB TYR A 43 -10.124 -6.586 4.671 1.00 0.00 C ATOM 628 CG TYR A 43 -11.122 -7.526 3.993 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.432 -7.130 3.816 1.00 0.00 C ATOM 630 CD2 TYR A 43 -10.712 -8.769 3.556 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.372 -8.015 3.177 1.00 0.00 C ATOM 632 CE2 TYR A 43 -11.651 -9.654 2.917 1.00 0.00 C ATOM 633 CZ TYR A 43 -12.935 -9.233 2.759 1.00 0.00 C ATOM 634 OH TYR A 43 -13.822 -10.068 2.156 1.00 0.00 O ATOM 0 H TYR A 43 -8.905 -4.933 5.852 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.382 -6.111 6.404 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.173 -5.610 4.187 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.116 -6.969 4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.753 -6.157 4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.686 -9.078 3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.400 -7.718 3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.343 -10.630 2.571 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.734 -9.751 2.322 1.00 0.00 H new ATOM 644 N GLU A 44 -8.853 -8.197 6.752 1.00 0.00 N ATOM 645 CA GLU A 44 -8.453 -9.449 7.372 1.00 0.00 C ATOM 646 C GLU A 44 -9.051 -9.561 8.776 1.00 0.00 C ATOM 647 O GLU A 44 -9.594 -10.602 9.143 1.00 0.00 O ATOM 648 CB GLU A 44 -6.929 -9.579 7.413 1.00 0.00 C ATOM 649 CG GLU A 44 -6.368 -9.894 6.025 1.00 0.00 C ATOM 650 CD GLU A 44 -5.613 -11.225 6.028 1.00 0.00 C ATOM 651 OE1 GLU A 44 -5.106 -11.587 7.112 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.561 -11.850 4.947 1.00 0.00 O ATOM 0 H GLU A 44 -8.116 -7.726 6.227 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.838 -10.270 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.491 -8.652 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.646 -10.367 8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.182 -9.935 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.700 -9.093 5.709 1.00 0.00 H new ATOM 659 N GLU A 45 -8.931 -8.474 9.524 1.00 0.00 N ATOM 660 CA GLU A 45 -9.452 -8.436 10.880 1.00 0.00 C ATOM 661 C GLU A 45 -10.882 -8.979 10.913 1.00 0.00 C ATOM 662 O GLU A 45 -11.140 -10.023 11.511 1.00 0.00 O ATOM 663 CB GLU A 45 -9.390 -7.019 11.452 1.00 0.00 C ATOM 664 CG GLU A 45 -7.953 -6.494 11.463 1.00 0.00 C ATOM 665 CD GLU A 45 -7.268 -6.797 12.797 1.00 0.00 C ATOM 666 OE1 GLU A 45 -7.555 -6.057 13.763 1.00 0.00 O ATOM 667 OE2 GLU A 45 -6.473 -7.761 12.820 1.00 0.00 O ATOM 0 H GLU A 45 -8.480 -7.612 9.216 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.827 -9.072 11.507 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.019 -6.356 10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.790 -7.014 12.466 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.389 -6.950 10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.954 -5.418 11.287 1.00 0.00 H new ATOM 674 N HIS A 46 -11.775 -8.246 10.264 1.00 0.00 N ATOM 675 CA HIS A 46 -13.172 -8.641 10.212 1.00 0.00 C ATOM 676 C HIS A 46 -13.273 -10.129 9.867 1.00 0.00 C ATOM 677 O HIS A 46 -14.257 -10.783 10.207 1.00 0.00 O ATOM 678 CB HIS A 46 -13.952 -7.753 9.240 1.00 0.00 C ATOM 679 CG HIS A 46 -15.179 -8.412 8.656 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.371 -8.524 9.348 1.00 0.00 N ATOM 681 CD2 HIS A 46 -15.385 -8.991 7.438 1.00 0.00 C ATOM 682 CE1 HIS A 46 -17.249 -9.145 8.573 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.635 -9.434 7.390 1.00 0.00 N ATOM 0 H HIS A 46 -11.558 -7.381 9.770 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.630 -8.499 11.191 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.253 -6.842 9.758 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.291 -7.454 8.427 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.655 -9.075 6.647 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.271 -9.381 8.833 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -17.066 -9.912 6.599 1.00 0.00 H new ATOM 691 N LEU A 47 -12.240 -10.619 9.196 1.00 0.00 N ATOM 692 CA LEU A 47 -12.200 -12.016 8.802 1.00 0.00 C ATOM 693 C LEU A 47 -11.680 -12.857 9.970 1.00 0.00 C ATOM 694 O LEU A 47 -12.261 -13.889 10.303 1.00 0.00 O ATOM 695 CB LEU A 47 -11.391 -12.187 7.514 1.00 0.00 C ATOM 696 CG LEU A 47 -12.204 -12.319 6.224 1.00 0.00 C ATOM 697 CD1 LEU A 47 -13.223 -11.185 6.100 1.00 0.00 C ATOM 698 CD2 LEU A 47 -11.285 -12.401 5.004 1.00 0.00 C ATOM 0 H LEU A 47 -11.425 -10.073 8.916 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.203 -12.375 8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.722 -11.333 7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.764 -13.073 7.617 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.766 -13.252 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.787 -11.302 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.907 -11.216 6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.702 -10.228 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.887 -12.494 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.678 -11.497 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.633 -13.270 5.097 1.00 0.00 H new ATOM 710 N LYS A 48 -10.592 -12.384 10.559 1.00 0.00 N ATOM 711 CA LYS A 48 -9.988 -13.079 11.683 1.00 0.00 C ATOM 712 C LYS A 48 -11.091 -13.637 12.585 1.00 0.00 C ATOM 713 O LYS A 48 -11.175 -14.847 12.792 1.00 0.00 O ATOM 714 CB LYS A 48 -9.002 -12.163 12.412 1.00 0.00 C ATOM 715 CG LYS A 48 -7.743 -12.929 12.823 1.00 0.00 C ATOM 716 CD LYS A 48 -6.480 -12.179 12.394 1.00 0.00 C ATOM 717 CE LYS A 48 -6.040 -12.604 10.992 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.565 -12.710 10.922 1.00 0.00 N ATOM 0 H LYS A 48 -10.113 -11.528 10.279 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.401 -13.929 11.334 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.730 -11.328 11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.479 -11.739 13.296 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.736 -13.071 13.904 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.753 -13.921 12.371 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.667 -11.105 12.411 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.678 -12.374 13.106 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.492 -13.563 10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.394 -11.880 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.283 -12.999 9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.140 -11.787 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.235 -13.418 11.609 1.00 0.00 H new ATOM 732 N ARG A 49 -11.908 -12.729 13.098 1.00 0.00 N ATOM 733 CA ARG A 49 -13.002 -13.115 13.972 1.00 0.00 C ATOM 734 C ARG A 49 -13.831 -14.227 13.326 1.00 0.00 C ATOM 735 O ARG A 49 -14.251 -15.166 14.001 1.00 0.00 O ATOM 736 CB ARG A 49 -13.910 -11.923 14.278 1.00 0.00 C ATOM 737 CG ARG A 49 -14.173 -11.096 13.018 1.00 0.00 C ATOM 738 CD ARG A 49 -15.665 -11.071 12.680 1.00 0.00 C ATOM 739 NE ARG A 49 -16.226 -9.732 12.968 1.00 0.00 N ATOM 740 CZ ARG A 49 -17.530 -9.432 12.894 1.00 0.00 C ATOM 741 NH1 ARG A 49 -18.415 -10.374 12.540 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.949 -8.190 13.173 1.00 0.00 N ATOM 0 H ARG A 49 -11.834 -11.727 12.925 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.569 -13.476 14.905 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.855 -12.278 14.688 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.447 -11.295 15.039 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.813 -10.078 13.165 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.614 -11.514 12.181 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.812 -11.318 11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.191 -11.828 13.262 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.580 -8.991 13.240 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.096 -11.319 12.327 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.408 -10.146 12.484 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.275 -7.473 13.442 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.942 -7.962 13.117 1.00 0.00 H new ATOM 756 N MET A 50 -14.042 -14.084 12.026 1.00 0.00 N ATOM 757 CA MET A 50 -14.813 -15.065 11.281 1.00 0.00 C ATOM 758 C MET A 50 -14.036 -16.374 11.128 1.00 0.00 C ATOM 759 O MET A 50 -14.607 -17.457 11.246 1.00 0.00 O ATOM 760 CB MET A 50 -15.149 -14.506 9.896 1.00 0.00 C ATOM 761 CG MET A 50 -16.138 -13.344 9.999 1.00 0.00 C ATOM 762 SD MET A 50 -17.637 -13.737 9.113 1.00 0.00 S ATOM 763 CE MET A 50 -16.951 -14.166 7.521 1.00 0.00 C ATOM 0 H MET A 50 -13.693 -13.304 11.469 1.00 0.00 H new ATOM 0 HA MET A 50 -15.730 -15.272 11.832 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.236 -14.169 9.405 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.573 -15.295 9.275 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.367 -13.142 11.045 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.691 -12.438 9.590 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.640 -13.860 6.734 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.997 -13.657 7.387 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.797 -15.244 7.470 1.00 0.00 H new ATOM 773 N ASN A 51 -12.744 -16.231 10.869 1.00 0.00 N ATOM 774 CA ASN A 51 -11.882 -17.388 10.699 1.00 0.00 C ATOM 775 C ASN A 51 -10.809 -17.383 11.789 1.00 0.00 C ATOM 776 O ASN A 51 -9.848 -16.618 11.716 1.00 0.00 O ATOM 777 CB ASN A 51 -11.178 -17.356 9.342 1.00 0.00 C ATOM 778 CG ASN A 51 -12.186 -17.176 8.205 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.499 -18.096 7.467 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.676 -15.944 8.106 1.00 0.00 N ATOM 0 H ASN A 51 -12.274 -15.331 10.773 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.502 -18.282 10.762 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.454 -16.541 9.323 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.621 -18.281 9.196 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.357 -15.723 7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.371 -15.220 8.757 1.00 0.00 H new ATOM 787 N PRO A 52 -11.013 -18.268 12.801 1.00 0.00 N ATOM 788 CA PRO A 52 -10.074 -18.373 13.905 1.00 0.00 C ATOM 789 C PRO A 52 -8.801 -19.106 13.474 1.00 0.00 C ATOM 790 O PRO A 52 -7.700 -18.571 13.600 1.00 0.00 O ATOM 791 CB PRO A 52 -10.835 -19.100 15.002 1.00 0.00 C ATOM 792 CG PRO A 52 -12.005 -19.783 14.314 1.00 0.00 C ATOM 793 CD PRO A 52 -12.139 -19.190 12.921 1.00 0.00 C ATOM 0 HA PRO A 52 -9.728 -17.401 14.256 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.197 -19.828 15.503 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.183 -18.403 15.764 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.839 -20.859 14.256 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.923 -19.632 14.883 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.100 -19.965 12.155 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.090 -18.671 12.801 1.00 0.00 H new ATOM 801 N ASN A 53 -8.994 -20.318 12.976 1.00 0.00 N ATOM 802 CA ASN A 53 -7.876 -21.129 12.526 1.00 0.00 C ATOM 803 C ASN A 53 -7.043 -20.330 11.522 1.00 0.00 C ATOM 804 O ASN A 53 -5.819 -20.451 11.490 1.00 0.00 O ATOM 805 CB ASN A 53 -8.363 -22.401 11.830 1.00 0.00 C ATOM 806 CG ASN A 53 -9.247 -22.064 10.627 1.00 0.00 C ATOM 807 OD1 ASN A 53 -8.781 -21.877 9.515 1.00 0.00 O ATOM 808 ND2 ASN A 53 -10.544 -21.997 10.911 1.00 0.00 N ATOM 0 H ASN A 53 -9.908 -20.758 12.874 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.284 -21.400 13.400 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.507 -22.991 11.503 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.922 -23.015 12.536 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.216 -21.778 10.176 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.867 -22.165 11.864 1.00 0.00 H new ATOM 815 N SER A 54 -7.739 -19.530 10.728 1.00 0.00 N ATOM 816 CA SER A 54 -7.079 -18.711 9.726 1.00 0.00 C ATOM 817 C SER A 54 -5.786 -18.125 10.297 1.00 0.00 C ATOM 818 O SER A 54 -5.819 -17.139 11.031 1.00 0.00 O ATOM 819 CB SER A 54 -7.999 -17.591 9.237 1.00 0.00 C ATOM 820 OG SER A 54 -8.550 -17.874 7.954 1.00 0.00 O ATOM 0 H SER A 54 -8.754 -19.432 10.758 1.00 0.00 H new ATOM 0 HA SER A 54 -6.837 -19.344 8.872 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.807 -17.446 9.954 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.440 -16.656 9.193 1.00 0.00 H new ATOM 0 HG SER A 54 -8.934 -18.775 7.955 1.00 0.00 H new ATOM 826 N PRO A 55 -4.649 -18.775 9.930 1.00 0.00 N ATOM 827 CA PRO A 55 -3.348 -18.329 10.398 1.00 0.00 C ATOM 828 C PRO A 55 -2.904 -17.064 9.661 1.00 0.00 C ATOM 829 O PRO A 55 -2.365 -16.143 10.272 1.00 0.00 O ATOM 830 CB PRO A 55 -2.420 -19.510 10.164 1.00 0.00 C ATOM 831 CG PRO A 55 -3.124 -20.399 9.153 1.00 0.00 C ATOM 832 CD PRO A 55 -4.573 -19.947 9.063 1.00 0.00 C ATOM 0 HA PRO A 55 -3.354 -18.046 11.451 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.453 -19.178 9.786 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.231 -20.048 11.093 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.640 -20.326 8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.068 -21.444 9.459 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.848 -19.700 8.038 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.254 -20.731 9.395 1.00 0.00 H new ATOM 840 N SER A 56 -3.148 -17.060 8.359 1.00 0.00 N ATOM 841 CA SER A 56 -2.780 -15.923 7.532 1.00 0.00 C ATOM 842 C SER A 56 -4.003 -15.420 6.762 1.00 0.00 C ATOM 843 O SER A 56 -3.903 -14.471 5.984 1.00 0.00 O ATOM 844 CB SER A 56 -1.655 -16.289 6.562 1.00 0.00 C ATOM 845 OG SER A 56 -1.320 -15.204 5.700 1.00 0.00 O ATOM 0 H SER A 56 -3.596 -17.826 7.856 1.00 0.00 H new ATOM 0 HA SER A 56 -2.416 -15.128 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.772 -16.589 7.127 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.958 -17.148 5.963 1.00 0.00 H new ATOM 0 HG SER A 56 -2.084 -14.594 5.629 1.00 0.00 H new ATOM 851 N ILE A 57 -5.127 -16.076 7.004 1.00 0.00 N ATOM 852 CA ILE A 57 -6.367 -15.707 6.343 1.00 0.00 C ATOM 853 C ILE A 57 -6.257 -16.021 4.849 1.00 0.00 C ATOM 854 O ILE A 57 -5.168 -16.297 4.348 1.00 0.00 O ATOM 855 CB ILE A 57 -6.719 -14.248 6.640 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.856 -14.013 8.146 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.975 -13.820 5.877 1.00 0.00 C ATOM 858 CD1 ILE A 57 -8.271 -13.557 8.504 1.00 0.00 C ATOM 0 H ILE A 57 -5.206 -16.862 7.649 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.196 -16.297 6.733 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.900 -13.621 6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.619 -14.931 8.684 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.136 -13.261 8.467 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.203 -12.779 6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.804 -13.927 4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.814 -14.449 6.175 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.341 -13.397 9.580 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.496 -12.626 7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.987 -14.322 8.204 1.00 0.00 H new ATOM 870 N THR A 58 -7.399 -15.967 4.180 1.00 0.00 N ATOM 871 CA THR A 58 -7.444 -16.242 2.754 1.00 0.00 C ATOM 872 C THR A 58 -8.844 -15.966 2.201 1.00 0.00 C ATOM 873 O THR A 58 -9.840 -16.399 2.779 1.00 0.00 O ATOM 874 CB THR A 58 -6.978 -17.683 2.535 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.323 -17.647 1.270 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.144 -18.650 2.324 1.00 0.00 C ATOM 0 H THR A 58 -8.300 -15.737 4.599 1.00 0.00 H new ATOM 0 HA THR A 58 -6.775 -15.581 2.203 1.00 0.00 H new ATOM 0 HB THR A 58 -6.388 -18.008 3.392 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.988 -18.541 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.758 -19.658 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.791 -18.637 3.201 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.715 -18.345 1.447 1.00 0.00 H new ATOM 884 N TYR A 59 -8.875 -15.246 1.089 1.00 0.00 N ATOM 885 CA TYR A 59 -10.136 -14.907 0.453 1.00 0.00 C ATOM 886 C TYR A 59 -9.905 -14.279 -0.923 1.00 0.00 C ATOM 887 O TYR A 59 -8.785 -14.288 -1.433 1.00 0.00 O ATOM 888 CB TYR A 59 -10.806 -13.878 1.365 1.00 0.00 C ATOM 889 CG TYR A 59 -9.872 -12.759 1.831 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.582 -11.706 0.987 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.320 -12.802 3.095 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.703 -10.653 1.425 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.441 -11.749 3.533 1.00 0.00 C ATOM 894 CZ TYR A 59 -8.176 -10.726 2.677 1.00 0.00 C ATOM 895 OH TYR A 59 -7.346 -9.732 3.091 1.00 0.00 O ATOM 0 H TYR A 59 -8.047 -14.888 0.613 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.746 -15.799 0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.651 -13.436 0.838 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.208 -14.390 2.239 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.014 -11.672 -0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.547 -13.625 3.756 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.467 -9.824 0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.002 -11.771 4.519 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.871 -8.928 3.286 1.00 0.00 H new ATOM 905 N ASP A 60 -10.981 -13.747 -1.484 1.00 0.00 N ATOM 906 CA ASP A 60 -10.909 -13.115 -2.790 1.00 0.00 C ATOM 907 C ASP A 60 -10.337 -11.704 -2.639 1.00 0.00 C ATOM 908 O ASP A 60 -10.977 -10.831 -2.056 1.00 0.00 O ATOM 909 CB ASP A 60 -12.297 -12.997 -3.422 1.00 0.00 C ATOM 910 CG ASP A 60 -13.014 -14.327 -3.663 1.00 0.00 C ATOM 911 OD1 ASP A 60 -12.363 -15.227 -4.237 1.00 0.00 O ATOM 912 OD2 ASP A 60 -14.196 -14.415 -3.267 1.00 0.00 O ATOM 0 H ASP A 60 -11.908 -13.741 -1.058 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.273 -13.730 -3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.921 -12.377 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.203 -12.475 -4.374 1.00 0.00 H new ATOM 917 N ILE A 61 -9.138 -11.526 -3.174 1.00 0.00 N ATOM 918 CA ILE A 61 -8.472 -10.236 -3.105 1.00 0.00 C ATOM 919 C ILE A 61 -9.468 -9.133 -3.470 1.00 0.00 C ATOM 920 O ILE A 61 -9.386 -8.021 -2.950 1.00 0.00 O ATOM 921 CB ILE A 61 -7.211 -10.237 -3.971 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.046 -9.562 -3.244 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.482 -9.599 -5.335 1.00 0.00 C ATOM 924 CD1 ILE A 61 -4.829 -9.433 -4.162 1.00 0.00 C ATOM 0 H ILE A 61 -8.611 -12.253 -3.657 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.132 -10.036 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.922 -11.272 -4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.352 -8.575 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.780 -10.141 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.569 -9.612 -5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.261 -10.161 -5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.809 -8.569 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.015 -8.950 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.511 -10.424 -4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.092 -8.833 -5.033 1.00 0.00 H new ATOM 936 N SER A 62 -10.386 -9.479 -4.361 1.00 0.00 N ATOM 937 CA SER A 62 -11.396 -8.533 -4.801 1.00 0.00 C ATOM 938 C SER A 62 -12.418 -8.302 -3.686 1.00 0.00 C ATOM 939 O SER A 62 -12.769 -7.161 -3.387 1.00 0.00 O ATOM 940 CB SER A 62 -12.096 -9.024 -6.069 1.00 0.00 C ATOM 941 OG SER A 62 -11.592 -8.386 -7.239 1.00 0.00 O ATOM 0 H SER A 62 -10.451 -10.402 -4.790 1.00 0.00 H new ATOM 0 HA SER A 62 -10.902 -7.590 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.966 -10.102 -6.160 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.167 -8.837 -5.987 1.00 0.00 H new ATOM 0 HG SER A 62 -12.063 -8.728 -8.027 1.00 0.00 H new ATOM 947 N GLN A 63 -12.867 -9.403 -3.101 1.00 0.00 N ATOM 948 CA GLN A 63 -13.842 -9.335 -2.026 1.00 0.00 C ATOM 949 C GLN A 63 -13.353 -8.392 -0.925 1.00 0.00 C ATOM 950 O GLN A 63 -14.155 -7.732 -0.266 1.00 0.00 O ATOM 951 CB GLN A 63 -14.137 -10.727 -1.465 1.00 0.00 C ATOM 952 CG GLN A 63 -15.111 -10.648 -0.288 1.00 0.00 C ATOM 953 CD GLN A 63 -16.501 -11.145 -0.692 1.00 0.00 C ATOM 954 OE1 GLN A 63 -17.059 -10.751 -1.703 1.00 0.00 O ATOM 955 NE2 GLN A 63 -17.026 -12.029 0.151 1.00 0.00 N ATOM 0 H GLN A 63 -12.573 -10.347 -3.351 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.773 -8.938 -2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.558 -11.357 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.208 -11.197 -1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.734 -11.246 0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.177 -9.619 0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.505 -12.316 0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.950 -12.420 -0.031 1.00 0.00 H new ATOM 964 N LEU A 64 -12.039 -8.358 -0.760 1.00 0.00 N ATOM 965 CA LEU A 64 -11.433 -7.507 0.250 1.00 0.00 C ATOM 966 C LEU A 64 -11.735 -6.043 -0.075 1.00 0.00 C ATOM 967 O LEU A 64 -11.996 -5.245 0.824 1.00 0.00 O ATOM 968 CB LEU A 64 -9.940 -7.812 0.383 1.00 0.00 C ATOM 969 CG LEU A 64 -9.010 -6.599 0.448 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.445 -5.634 1.553 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.552 -7.033 0.608 1.00 0.00 C ATOM 0 H LEU A 64 -11.377 -8.906 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.865 -7.712 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.790 -8.408 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.639 -8.430 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.084 -6.061 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.768 -4.780 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.459 -5.287 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.419 -6.146 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.913 -6.151 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.442 -7.607 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.261 -7.651 -0.242 1.00 0.00 H new ATOM 983 N PHE A 65 -11.689 -5.734 -1.363 1.00 0.00 N ATOM 984 CA PHE A 65 -11.954 -4.380 -1.818 1.00 0.00 C ATOM 985 C PHE A 65 -13.418 -4.000 -1.583 1.00 0.00 C ATOM 986 O PHE A 65 -13.737 -2.824 -1.413 1.00 0.00 O ATOM 987 CB PHE A 65 -11.666 -4.349 -3.320 1.00 0.00 C ATOM 988 CG PHE A 65 -10.216 -4.672 -3.683 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.266 -4.719 -2.710 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.875 -4.913 -4.977 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.919 -5.018 -3.047 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.529 -5.213 -5.314 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.579 -5.259 -4.341 1.00 0.00 C ATOM 0 H PHE A 65 -11.472 -6.399 -2.106 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.331 -3.674 -1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.322 -5.062 -3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.915 -3.361 -3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.536 -4.529 -1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.629 -4.876 -5.749 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.165 -5.054 -2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.259 -5.405 -6.342 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.555 -5.487 -4.597 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.267 -5.016 -1.581 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.689 -4.803 -1.370 1.00 0.00 C ATOM 1005 C ASP A 66 -15.892 -3.965 -0.107 1.00 0.00 C ATOM 1006 O ASP A 66 -16.929 -3.323 0.057 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.423 -6.132 -1.179 1.00 0.00 C ATOM 1008 CG ASP A 66 -16.298 -7.113 -2.346 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -15.635 -6.736 -3.336 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -16.869 -8.219 -2.222 1.00 0.00 O ATOM 0 H ASP A 66 -13.998 -5.990 -1.722 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.088 -4.294 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.044 -6.613 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.480 -5.925 -1.009 1.00 0.00 H new ATOM 1015 N PHE A 67 -14.886 -3.997 0.755 1.00 0.00 N ATOM 1016 CA PHE A 67 -14.942 -3.248 1.999 1.00 0.00 C ATOM 1017 C PHE A 67 -14.349 -1.849 1.823 1.00 0.00 C ATOM 1018 O PHE A 67 -14.747 -0.911 2.513 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.105 -4.019 3.023 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.200 -3.132 3.880 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -13.743 -2.304 4.811 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -11.851 -3.172 3.710 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -12.903 -1.481 5.607 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.010 -2.350 4.505 1.00 0.00 C ATOM 1025 CZ PHE A 67 -11.554 -1.521 5.437 1.00 0.00 C ATOM 0 H PHE A 67 -14.027 -4.530 0.616 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.978 -3.137 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -14.774 -4.578 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.489 -4.749 2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.814 -2.272 4.946 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.420 -3.830 2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.335 -0.824 6.347 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.939 -2.383 4.370 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.915 -0.895 6.042 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.407 -1.752 0.896 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.756 -0.483 0.621 1.00 0.00 C ATOM 1037 C ILE A 68 -13.785 0.505 0.068 1.00 0.00 C ATOM 1038 O ILE A 68 -13.802 1.672 0.457 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.548 -0.688 -0.295 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.318 -1.119 0.507 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.276 0.563 -1.133 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.397 -2.005 -0.335 1.00 0.00 C ATOM 0 H ILE A 68 -13.079 -2.532 0.326 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.361 -0.051 1.541 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.779 -1.496 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.772 -0.238 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.633 -1.660 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.412 0.390 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.147 0.785 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.074 1.406 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.531 -2.297 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.939 -2.897 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.065 -1.453 -1.214 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.620 0.001 -0.829 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.650 0.824 -1.438 1.00 0.00 C ATOM 1056 C ASP A 69 -16.624 1.298 -0.358 1.00 0.00 C ATOM 1057 O ASP A 69 -17.108 2.428 -0.405 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.445 0.032 -2.478 1.00 0.00 C ATOM 1059 CG ASP A 69 -16.463 0.641 -3.881 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -15.362 0.764 -4.460 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -17.577 0.969 -4.343 1.00 0.00 O ATOM 0 H ASP A 69 -14.604 -0.968 -1.148 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.162 1.669 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.031 -0.974 -2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.473 -0.068 -2.129 1.00 0.00 H new ATOM 1066 N ASP A 70 -16.883 0.409 0.591 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.791 0.722 1.681 1.00 0.00 C ATOM 1068 C ASP A 70 -17.346 2.024 2.352 1.00 0.00 C ATOM 1069 O ASP A 70 -18.170 2.888 2.646 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.781 -0.382 2.740 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.016 -0.423 3.643 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -19.152 0.512 4.461 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -19.796 -1.389 3.494 1.00 0.00 O ATOM 0 H ASP A 70 -16.480 -0.527 0.627 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.795 0.816 1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.684 -1.345 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.897 -0.257 3.365 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.044 2.122 2.574 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.480 3.304 3.205 1.00 0.00 C ATOM 1080 C LEU A 71 -16.059 4.556 2.543 1.00 0.00 C ATOM 1081 O LEU A 71 -16.557 4.494 1.420 1.00 0.00 O ATOM 1082 CB LEU A 71 -13.951 3.246 3.179 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.307 2.131 4.006 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.795 2.083 3.779 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.660 2.274 5.488 1.00 0.00 C ATOM 0 H LEU A 71 -15.363 1.403 2.329 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.757 3.343 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.629 3.135 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.565 4.202 3.532 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.713 1.177 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.362 1.282 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.591 1.898 2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.353 3.035 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.190 1.469 6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.300 3.235 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.742 2.220 5.611 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.975 5.662 3.268 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.485 6.926 2.765 1.00 0.00 C ATOM 1099 C ALA A 72 -15.574 7.429 1.644 1.00 0.00 C ATOM 1100 O ALA A 72 -16.023 8.139 0.745 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.598 7.926 3.918 1.00 0.00 C ATOM 0 H ALA A 72 -15.562 5.709 4.199 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.483 6.798 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.981 8.874 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.279 7.535 4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.615 8.082 4.362 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.310 7.042 1.734 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.331 7.445 0.738 1.00 0.00 C ATOM 1109 C ASP A 73 -11.924 7.183 1.278 1.00 0.00 C ATOM 1110 O ASP A 73 -11.491 7.826 2.233 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.447 8.938 0.425 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.204 9.564 -0.211 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.567 8.859 -1.023 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.920 10.732 0.128 1.00 0.00 O ATOM 0 H ASP A 73 -13.941 6.454 2.481 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.517 6.871 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.294 9.089 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.672 9.471 1.349 1.00 0.00 H new ATOM 1119 N LEU A 74 -11.248 6.237 0.642 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.898 5.882 1.046 1.00 0.00 C ATOM 1121 C LEU A 74 -8.895 6.551 0.104 1.00 0.00 C ATOM 1122 O LEU A 74 -9.150 6.676 -1.092 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.745 4.362 1.127 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.317 3.824 1.021 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.500 4.190 2.262 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.316 2.317 0.757 1.00 0.00 C ATOM 0 H LEU A 74 -11.610 5.706 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.691 6.254 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.170 4.024 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.341 3.914 0.332 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.835 4.300 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.489 3.796 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.458 5.274 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.970 3.761 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.288 1.961 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.822 1.804 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.837 2.111 -0.178 1.00 0.00 H new ATOM 1138 N SER A 75 -7.776 6.965 0.680 1.00 0.00 N ATOM 1139 CA SER A 75 -6.734 7.619 -0.093 1.00 0.00 C ATOM 1140 C SER A 75 -5.357 7.222 0.444 1.00 0.00 C ATOM 1141 O SER A 75 -5.257 6.463 1.407 1.00 0.00 O ATOM 1142 CB SER A 75 -6.898 9.140 -0.062 1.00 0.00 C ATOM 1143 OG SER A 75 -8.267 9.530 -0.107 1.00 0.00 O ATOM 0 H SER A 75 -7.568 6.860 1.673 1.00 0.00 H new ATOM 0 HA SER A 75 -6.821 7.293 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.438 9.536 0.843 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.368 9.579 -0.907 1.00 0.00 H new ATOM 0 HG SER A 75 -8.330 10.508 -0.084 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.330 7.754 -0.202 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.963 7.465 0.199 1.00 0.00 C ATOM 1151 C CYS A 76 -2.064 8.592 -0.314 1.00 0.00 C ATOM 1152 O CYS A 76 -2.445 9.331 -1.220 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.504 6.095 -0.303 1.00 0.00 C ATOM 1154 SG CYS A 76 -3.010 5.866 -2.047 1.00 0.00 S ATOM 0 H CYS A 76 -4.417 8.383 -1.000 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.902 7.419 1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.421 6.011 -0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.936 5.308 0.316 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.319 4.900 -2.576 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.887 8.687 0.288 1.00 0.00 N ATOM 1161 CA LEU A 77 0.069 9.711 -0.097 1.00 0.00 C ATOM 1162 C LEU A 77 1.403 9.050 -0.449 1.00 0.00 C ATOM 1163 O LEU A 77 2.046 8.444 0.407 1.00 0.00 O ATOM 1164 CB LEU A 77 0.181 10.777 0.995 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.023 11.709 1.148 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.569 12.129 -0.219 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.103 11.070 2.024 1.00 0.00 C ATOM 0 H LEU A 77 -0.574 8.072 1.039 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.273 10.236 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.351 10.276 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.063 11.385 0.793 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.691 12.615 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.424 12.791 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.792 12.651 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.881 11.244 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.947 11.753 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.438 10.139 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.694 10.863 3.013 1.00 0.00 H new ATOM 1179 N VAL A 78 1.780 9.188 -1.712 1.00 0.00 N ATOM 1180 CA VAL A 78 3.026 8.612 -2.188 1.00 0.00 C ATOM 1181 C VAL A 78 4.110 9.692 -2.204 1.00 0.00 C ATOM 1182 O VAL A 78 3.939 10.738 -2.828 1.00 0.00 O ATOM 1183 CB VAL A 78 2.812 7.960 -3.556 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.140 7.491 -4.153 1.00 0.00 C ATOM 1185 CG2 VAL A 78 1.814 6.804 -3.462 1.00 0.00 C ATOM 0 H VAL A 78 1.244 9.690 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 78 3.363 7.823 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 78 2.392 8.712 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.960 7.031 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.807 8.345 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.601 6.762 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.680 6.358 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.194 6.051 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.857 7.178 -3.100 1.00 0.00 H new ATOM 1195 N TYR A 79 5.200 9.402 -1.510 1.00 0.00 N ATOM 1196 CA TYR A 79 6.311 10.335 -1.436 1.00 0.00 C ATOM 1197 C TYR A 79 7.313 10.085 -2.564 1.00 0.00 C ATOM 1198 O TYR A 79 7.942 9.029 -2.619 1.00 0.00 O ATOM 1199 CB TYR A 79 6.996 10.070 -0.094 1.00 0.00 C ATOM 1200 CG TYR A 79 7.948 11.183 0.349 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.074 11.466 -0.397 1.00 0.00 C ATOM 1202 CD2 TYR A 79 7.681 11.904 1.495 1.00 0.00 C ATOM 1203 CE1 TYR A 79 9.970 12.513 0.020 1.00 0.00 C ATOM 1204 CE2 TYR A 79 8.577 12.952 1.912 1.00 0.00 C ATOM 1205 CZ TYR A 79 9.677 13.204 1.154 1.00 0.00 C ATOM 1206 OH TYR A 79 10.524 14.193 1.548 1.00 0.00 O ATOM 0 H TYR A 79 5.338 8.533 -0.993 1.00 0.00 H new ATOM 0 HA TYR A 79 5.956 11.362 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.232 9.933 0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.552 9.135 -0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.283 10.902 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.800 11.682 2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.855 12.744 -0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.379 13.524 2.806 1.00 0.00 H new ATOM 0 HH TYR A 79 10.692 14.799 0.796 1.00 0.00 H new ATOM 1216 N ARG A 80 7.432 11.074 -3.438 1.00 0.00 N ATOM 1217 CA ARG A 80 8.347 10.974 -4.562 1.00 0.00 C ATOM 1218 C ARG A 80 9.488 11.982 -4.408 1.00 0.00 C ATOM 1219 O ARG A 80 9.252 13.187 -4.334 1.00 0.00 O ATOM 1220 CB ARG A 80 7.624 11.232 -5.886 1.00 0.00 C ATOM 1221 CG ARG A 80 7.179 12.692 -5.993 1.00 0.00 C ATOM 1222 CD ARG A 80 6.114 12.862 -7.078 1.00 0.00 C ATOM 1223 NE ARG A 80 6.741 12.801 -8.417 1.00 0.00 N ATOM 1224 CZ ARG A 80 6.084 12.482 -9.541 1.00 0.00 C ATOM 1225 NH1 ARG A 80 4.777 12.195 -9.493 1.00 0.00 N ATOM 1226 NH2 ARG A 80 6.735 12.452 -10.712 1.00 0.00 N ATOM 0 H ARG A 80 6.910 11.949 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 80 8.750 9.961 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.284 10.987 -6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.756 10.577 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.783 13.027 -5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.039 13.322 -6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.360 12.080 -6.985 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.602 13.816 -6.950 1.00 0.00 H new ATOM 0 HE ARG A 80 7.736 13.015 -8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.282 12.219 -8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.276 11.952 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.730 12.672 -10.748 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.235 12.209 -11.567 1.00 0.00 H new ATOM 1240 N ALA A 81 10.701 11.451 -4.365 1.00 0.00 N ATOM 1241 CA ALA A 81 11.880 12.289 -4.221 1.00 0.00 C ATOM 1242 C ALA A 81 12.108 13.068 -5.518 1.00 0.00 C ATOM 1243 O ALA A 81 12.689 14.152 -5.501 1.00 0.00 O ATOM 1244 CB ALA A 81 13.081 11.420 -3.844 1.00 0.00 C ATOM 0 H ALA A 81 10.893 10.451 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 81 11.739 13.015 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.965 12.048 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.880 10.911 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.255 10.681 -4.626 1.00 0.00 H new ATOM 1250 N ASP A 82 11.638 12.485 -6.611 1.00 0.00 N ATOM 1251 CA ASP A 82 11.784 13.110 -7.914 1.00 0.00 C ATOM 1252 C ASP A 82 11.526 14.613 -7.786 1.00 0.00 C ATOM 1253 O ASP A 82 12.335 15.426 -8.231 1.00 0.00 O ATOM 1254 CB ASP A 82 10.775 12.542 -8.914 1.00 0.00 C ATOM 1255 CG ASP A 82 11.209 11.248 -9.606 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.437 11.067 -9.753 1.00 0.00 O ATOM 1257 OD2 ASP A 82 10.303 10.468 -9.971 1.00 0.00 O ATOM 0 H ASP A 82 11.156 11.586 -6.621 1.00 0.00 H new ATOM 0 HA ASP A 82 12.795 12.913 -8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.834 12.361 -8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.578 13.296 -9.676 1.00 0.00 H new ATOM 1262 N THR A 83 10.396 14.937 -7.174 1.00 0.00 N ATOM 1263 CA THR A 83 10.021 16.327 -6.981 1.00 0.00 C ATOM 1264 C THR A 83 9.804 16.620 -5.495 1.00 0.00 C ATOM 1265 O THR A 83 9.508 17.753 -5.119 1.00 0.00 O ATOM 1266 CB THR A 83 8.788 16.609 -7.843 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.898 15.540 -7.535 1.00 0.00 O ATOM 1268 CG2 THR A 83 9.068 16.442 -9.338 1.00 0.00 C ATOM 0 H THR A 83 9.728 14.260 -6.805 1.00 0.00 H new ATOM 0 HA THR A 83 10.818 16.999 -7.299 1.00 0.00 H new ATOM 0 HB THR A 83 8.435 17.622 -7.651 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.070 15.645 -8.049 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.161 16.654 -9.904 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.854 17.134 -9.640 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.389 15.419 -9.536 1.00 0.00 H new ATOM 1276 N GLN A 84 9.958 15.578 -4.691 1.00 0.00 N ATOM 1277 CA GLN A 84 9.782 15.709 -3.255 1.00 0.00 C ATOM 1278 C GLN A 84 8.398 16.279 -2.939 1.00 0.00 C ATOM 1279 O GLN A 84 8.281 17.412 -2.474 1.00 0.00 O ATOM 1280 CB GLN A 84 10.885 16.576 -2.644 1.00 0.00 C ATOM 1281 CG GLN A 84 12.187 15.786 -2.498 1.00 0.00 C ATOM 1282 CD GLN A 84 12.393 15.332 -1.051 1.00 0.00 C ATOM 1283 OE1 GLN A 84 11.804 15.854 -0.120 1.00 0.00 O ATOM 1284 NE2 GLN A 84 13.261 14.333 -0.916 1.00 0.00 N ATOM 0 H GLN A 84 10.203 14.640 -5.007 1.00 0.00 H new ATOM 0 HA GLN A 84 9.855 14.718 -2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.055 17.450 -3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.566 16.942 -1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.165 14.917 -3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.028 16.403 -2.813 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.720 13.941 -1.739 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.468 13.959 0.010 1.00 0.00 H new ATOM 1293 N THR A 85 7.385 15.468 -3.205 1.00 0.00 N ATOM 1294 CA THR A 85 6.013 15.877 -2.955 1.00 0.00 C ATOM 1295 C THR A 85 5.117 14.652 -2.763 1.00 0.00 C ATOM 1296 O THR A 85 5.478 13.546 -3.162 1.00 0.00 O ATOM 1297 CB THR A 85 5.571 16.779 -4.109 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.356 17.363 -3.648 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.155 15.982 -5.348 1.00 0.00 C ATOM 0 H THR A 85 7.487 14.529 -3.591 1.00 0.00 H new ATOM 0 HA THR A 85 5.933 16.447 -2.029 1.00 0.00 H new ATOM 0 HB THR A 85 6.382 17.459 -4.370 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.001 17.965 -4.335 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.850 16.669 -6.137 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.997 15.382 -5.694 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.321 15.326 -5.096 1.00 0.00 H new ATOM 1307 N TYR A 86 3.966 14.891 -2.152 1.00 0.00 N ATOM 1308 CA TYR A 86 3.015 13.820 -1.902 1.00 0.00 C ATOM 1309 C TYR A 86 1.814 13.923 -2.844 1.00 0.00 C ATOM 1310 O TYR A 86 1.097 14.923 -2.835 1.00 0.00 O ATOM 1311 CB TYR A 86 2.537 14.009 -0.462 1.00 0.00 C ATOM 1312 CG TYR A 86 1.625 15.221 -0.262 1.00 0.00 C ATOM 1313 CD1 TYR A 86 2.173 16.478 -0.103 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.255 15.058 -0.242 1.00 0.00 C ATOM 1315 CE1 TYR A 86 1.315 17.619 0.084 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.603 16.200 -0.054 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.031 17.424 0.100 1.00 0.00 C ATOM 1318 OH TYR A 86 -0.841 18.501 0.277 1.00 0.00 O ATOM 0 H TYR A 86 3.670 15.810 -1.823 1.00 0.00 H new ATOM 0 HA TYR A 86 3.480 12.848 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.005 13.111 -0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.406 14.110 0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.245 16.606 -0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.174 14.075 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.731 18.608 0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.677 16.086 -0.036 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.777 18.212 0.265 1.00 0.00 H new ATOM 1328 N GLN A 87 1.631 12.876 -3.634 1.00 0.00 N ATOM 1329 CA GLN A 87 0.528 12.836 -4.580 1.00 0.00 C ATOM 1330 C GLN A 87 -0.646 12.049 -3.994 1.00 0.00 C ATOM 1331 O GLN A 87 -0.530 10.850 -3.742 1.00 0.00 O ATOM 1332 CB GLN A 87 0.974 12.241 -5.917 1.00 0.00 C ATOM 1333 CG GLN A 87 1.125 13.331 -6.980 1.00 0.00 C ATOM 1334 CD GLN A 87 -0.202 14.057 -7.213 1.00 0.00 C ATOM 1335 OE1 GLN A 87 -0.438 15.147 -6.718 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -1.051 13.393 -7.992 1.00 0.00 N ATOM 0 H GLN A 87 2.228 12.049 -3.639 1.00 0.00 H new ATOM 0 HA GLN A 87 0.198 13.858 -4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.923 11.720 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.246 11.501 -6.251 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.885 14.047 -6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.470 12.888 -7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.789 12.484 -8.373 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.964 13.793 -8.208 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.778 12.774 -3.789 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.972 12.156 -3.237 1.00 0.00 C ATOM 1347 C PRO A 88 -3.675 11.290 -4.284 1.00 0.00 C ATOM 1348 O PRO A 88 -4.270 11.809 -5.227 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.828 13.316 -2.755 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.299 14.549 -3.469 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.951 14.195 -4.076 1.00 0.00 C ATOM 0 HA PRO A 88 -2.751 11.473 -2.417 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.879 13.150 -2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.757 13.431 -1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.995 14.868 -4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.197 15.380 -2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.937 14.387 -5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.150 14.789 -3.635 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.583 9.983 -4.082 1.00 0.00 N ATOM 1360 CA TYR A 89 -4.203 9.040 -4.997 1.00 0.00 C ATOM 1361 C TYR A 89 -5.548 8.553 -4.455 1.00 0.00 C ATOM 1362 O TYR A 89 -5.973 8.966 -3.377 1.00 0.00 O ATOM 1363 CB TYR A 89 -3.244 7.851 -5.091 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.916 8.175 -5.779 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.815 9.283 -6.595 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.821 7.359 -5.584 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.565 9.588 -7.243 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.429 7.664 -6.232 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.495 8.764 -7.029 1.00 0.00 C ATOM 1370 OH TYR A 89 1.675 9.052 -7.641 1.00 0.00 O ATOM 0 H TYR A 89 -3.089 9.556 -3.299 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.386 9.508 -5.964 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -3.040 7.482 -4.086 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.735 7.043 -5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.673 9.921 -6.748 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.901 6.492 -4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.472 10.452 -7.884 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.294 7.033 -6.088 1.00 0.00 H new ATOM 0 HH TYR A 89 2.343 8.378 -7.396 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.180 7.681 -5.226 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.469 7.133 -4.837 1.00 0.00 C ATOM 1382 C ASN A 90 -7.292 5.672 -4.418 1.00 0.00 C ATOM 1383 O ASN A 90 -6.269 5.057 -4.716 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.460 7.175 -6.001 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.885 7.418 -5.500 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -10.697 6.514 -5.398 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.142 8.687 -5.195 1.00 0.00 N ATOM 0 H ASN A 90 -5.824 7.340 -6.119 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.856 7.733 -4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.176 7.964 -6.697 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.420 6.235 -6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.065 8.952 -4.852 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.416 9.395 -5.304 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.304 5.159 -3.735 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.273 3.782 -3.273 1.00 0.00 C ATOM 1396 C LYS A 91 -7.964 2.859 -4.453 1.00 0.00 C ATOM 1397 O LYS A 91 -7.270 1.855 -4.296 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.571 3.432 -2.542 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.766 3.473 -3.498 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.058 3.085 -2.776 1.00 0.00 C ATOM 1401 CE LYS A 91 -13.090 4.211 -2.858 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.975 4.190 -1.672 1.00 0.00 N ATOM 0 H LYS A 91 -9.151 5.672 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.476 3.644 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.488 2.439 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.732 4.133 -1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.866 4.474 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.593 2.793 -4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.468 2.178 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.842 2.860 -1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.582 5.173 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.685 4.102 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.957 4.360 -1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.910 3.262 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.681 4.933 -1.006 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.494 3.232 -5.609 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.283 2.450 -6.816 1.00 0.00 C ATOM 1418 C ASP A 92 -6.785 2.196 -6.998 1.00 0.00 C ATOM 1419 O ASP A 92 -6.383 1.108 -7.408 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.790 3.197 -8.051 1.00 0.00 C ATOM 1421 CG ASP A 92 -8.800 2.378 -9.343 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -9.313 1.239 -9.288 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -8.296 2.909 -10.356 1.00 0.00 O ATOM 0 H ASP A 92 -9.069 4.065 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.830 1.513 -6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.803 3.549 -7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.169 4.080 -8.203 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.002 3.217 -6.686 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.557 3.118 -6.810 1.00 0.00 C ATOM 1430 C TRP A 93 -4.051 2.181 -5.711 1.00 0.00 C ATOM 1431 O TRP A 93 -3.007 1.549 -5.862 1.00 0.00 O ATOM 1432 CB TRP A 93 -3.906 4.501 -6.763 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.380 4.468 -6.667 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.487 4.619 -7.655 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.598 4.263 -5.471 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.193 4.527 -7.185 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.262 4.304 -5.815 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -2.006 4.051 -4.142 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.774 4.141 -4.887 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.959 3.890 -3.227 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.390 3.928 -3.557 1.00 0.00 C ATOM 0 H TRP A 93 -6.340 4.118 -6.347 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.281 2.700 -7.778 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.192 5.056 -7.657 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.302 5.049 -5.908 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -1.748 4.791 -8.689 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.658 4.608 -7.741 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -3.045 4.015 -3.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.813 4.178 -5.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.218 3.725 -2.192 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.140 3.794 -2.791 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.815 2.122 -4.630 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.458 1.273 -3.507 1.00 0.00 C ATOM 1454 C ILE A 94 -4.860 -0.170 -3.815 1.00 0.00 C ATOM 1455 O ILE A 94 -4.026 -1.073 -3.774 1.00 0.00 O ATOM 1456 CB ILE A 94 -5.062 1.817 -2.211 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.712 3.294 -2.020 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.640 0.968 -1.010 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.645 3.952 -1.001 1.00 0.00 C ATOM 0 H ILE A 94 -5.680 2.649 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.379 1.277 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.147 1.751 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.679 3.386 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.785 3.815 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.083 1.377 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.982 -0.057 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.554 0.979 -0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.374 5.001 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.675 3.880 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.551 3.444 -0.041 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.139 -0.343 -4.116 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.662 -1.661 -4.430 1.00 0.00 C ATOM 1473 C LYS A 95 -5.647 -2.416 -5.291 1.00 0.00 C ATOM 1474 O LYS A 95 -5.581 -3.644 -5.246 1.00 0.00 O ATOM 1475 CB LYS A 95 -8.048 -1.549 -5.070 1.00 0.00 C ATOM 1476 CG LYS A 95 -9.009 -0.775 -4.165 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.459 -0.967 -4.613 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.672 -0.423 -6.027 1.00 0.00 C ATOM 1479 NZ LYS A 95 -11.917 -0.970 -6.611 1.00 0.00 N ATOM 0 H LYS A 95 -6.828 0.408 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.803 -2.242 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.968 -1.048 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.446 -2.546 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.895 -1.112 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.757 0.285 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.715 -2.026 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.128 -0.458 -3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.724 0.665 -6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.822 -0.686 -6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.046 -0.591 -7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.854 -2.007 -6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.727 -0.697 -6.019 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.882 -1.651 -6.055 1.00 0.00 N ATOM 1494 CA GLU A 96 -3.873 -2.232 -6.924 1.00 0.00 C ATOM 1495 C GLU A 96 -2.657 -2.671 -6.106 1.00 0.00 C ATOM 1496 O GLU A 96 -2.356 -3.861 -6.024 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.468 -1.251 -8.026 1.00 0.00 C ATOM 1498 CG GLU A 96 -4.671 -0.867 -8.889 1.00 0.00 C ATOM 1499 CD GLU A 96 -4.807 -1.805 -10.090 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.689 -3.030 -9.869 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -5.024 -1.277 -11.201 1.00 0.00 O ATOM 0 H GLU A 96 -4.941 -0.633 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.299 -3.112 -7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.036 -0.355 -7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.696 -1.700 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.580 -0.905 -8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.561 0.160 -9.236 1.00 0.00 H new ATOM 1508 N LYS A 97 -1.989 -1.687 -5.522 1.00 0.00 N ATOM 1509 CA LYS A 97 -0.813 -1.957 -4.714 1.00 0.00 C ATOM 1510 C LYS A 97 -1.111 -3.113 -3.757 1.00 0.00 C ATOM 1511 O LYS A 97 -0.390 -4.109 -3.737 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.341 -0.682 -4.011 1.00 0.00 C ATOM 1513 CG LYS A 97 0.983 -0.190 -4.599 1.00 0.00 C ATOM 1514 CD LYS A 97 0.862 0.037 -6.107 1.00 0.00 C ATOM 1515 CE LYS A 97 0.095 1.326 -6.409 1.00 0.00 C ATOM 1516 NZ LYS A 97 -0.300 1.372 -7.834 1.00 0.00 N ATOM 0 H LYS A 97 -2.240 -0.701 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 97 0.018 -2.272 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.099 0.095 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.221 -0.874 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.279 0.738 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.767 -0.920 -4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.856 0.089 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.352 -0.810 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.792 1.385 -5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.715 2.190 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.635 2.328 -8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.519 1.135 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.062 0.686 -8.005 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.175 -2.941 -2.986 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.578 -3.958 -2.029 1.00 0.00 C ATOM 1532 C ILE A 98 -2.649 -5.315 -2.732 1.00 0.00 C ATOM 1533 O ILE A 98 -2.172 -6.318 -2.204 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.881 -3.555 -1.336 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.440 -4.711 -0.505 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.901 -3.030 -2.348 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.595 -4.241 0.382 1.00 0.00 C ATOM 0 H ILE A 98 -2.770 -2.113 -3.004 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.837 -4.049 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.663 -2.739 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.785 -5.506 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.649 -5.133 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.818 -2.751 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.492 -2.157 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.121 -3.807 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.974 -5.082 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.241 -3.464 1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.394 -3.842 -0.242 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.250 -5.302 -3.913 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.390 -6.519 -4.694 1.00 0.00 C ATOM 1551 C TYR A 99 -2.022 -7.066 -5.108 1.00 0.00 C ATOM 1552 O TYR A 99 -1.646 -8.169 -4.715 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.170 -6.126 -5.951 1.00 0.00 C ATOM 1554 CG TYR A 99 -3.679 -6.811 -7.228 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -4.078 -8.100 -7.517 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -2.836 -6.140 -8.090 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.616 -8.745 -8.719 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -2.374 -6.784 -9.292 1.00 0.00 C ATOM 1559 CZ TYR A 99 -2.786 -8.055 -9.547 1.00 0.00 C ATOM 1560 OH TYR A 99 -2.350 -8.663 -10.682 1.00 0.00 O ATOM 0 H TYR A 99 -3.645 -4.468 -4.348 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.894 -7.292 -4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.223 -6.367 -5.803 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -4.106 -5.046 -6.083 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -4.737 -8.625 -6.842 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.523 -5.132 -7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.921 -9.753 -8.957 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.715 -6.269 -9.976 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.766 -8.052 -11.177 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.316 -6.269 -5.896 1.00 0.00 N ATOM 1571 CA VAL A 100 0.002 -6.659 -6.367 1.00 0.00 C ATOM 1572 C VAL A 100 0.910 -6.929 -5.165 1.00 0.00 C ATOM 1573 O VAL A 100 1.887 -7.668 -5.274 1.00 0.00 O ATOM 1574 CB VAL A 100 0.559 -5.590 -7.309 1.00 0.00 C ATOM 1575 CG1 VAL A 100 0.606 -4.224 -6.621 1.00 0.00 C ATOM 1576 CG2 VAL A 100 1.940 -5.987 -7.835 1.00 0.00 C ATOM 0 H VAL A 100 -1.632 -5.355 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.057 -7.582 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.114 -5.512 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.006 -3.482 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.400 -3.934 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.246 -4.282 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.313 -5.210 -8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.628 -6.107 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.865 -6.928 -8.380 1.00 0.00 H new ATOM 1586 N LEU A 101 0.555 -6.314 -4.047 1.00 0.00 N ATOM 1587 CA LEU A 101 1.325 -6.478 -2.826 1.00 0.00 C ATOM 1588 C LEU A 101 1.293 -7.947 -2.401 1.00 0.00 C ATOM 1589 O LEU A 101 2.290 -8.479 -1.914 1.00 0.00 O ATOM 1590 CB LEU A 101 0.829 -5.515 -1.745 1.00 0.00 C ATOM 1591 CG LEU A 101 1.089 -5.938 -0.298 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.450 -5.431 0.185 1.00 0.00 C ATOM 1593 CD2 LEU A 101 -0.049 -5.485 0.618 1.00 0.00 C ATOM 0 H LEU A 101 -0.256 -5.701 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 101 2.369 -6.218 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.298 -4.545 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.244 -5.377 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 101 1.119 -7.027 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.610 -5.745 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.237 -5.843 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.473 -4.343 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.161 -5.798 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.135 -4.399 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.985 -5.934 0.285 1.00 0.00 H new ATOM 1605 N LEU A 102 0.136 -8.563 -2.601 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.039 -9.960 -2.245 1.00 0.00 C ATOM 1607 C LEU A 102 0.531 -10.841 -3.358 1.00 0.00 C ATOM 1608 O LEU A 102 1.037 -11.931 -3.095 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.506 -10.251 -1.921 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.064 -9.568 -0.671 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -0.992 -8.721 0.017 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.314 -8.750 -1.004 1.00 0.00 C ATOM 0 H LEU A 102 -0.689 -8.119 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 102 0.517 -10.194 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.113 -9.952 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.626 -11.328 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.364 -10.342 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.416 -8.247 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.158 -9.358 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.638 -7.953 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.690 -8.275 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -3.063 -7.984 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.081 -9.408 -1.414 1.00 0.00 H new ATOM 1624 N ARG A 103 0.430 -10.336 -4.579 1.00 0.00 N ATOM 1625 CA ARG A 103 0.929 -11.063 -5.734 1.00 0.00 C ATOM 1626 C ARG A 103 2.410 -11.399 -5.550 1.00 0.00 C ATOM 1627 O ARG A 103 2.780 -12.569 -5.466 1.00 0.00 O ATOM 1628 CB ARG A 103 0.753 -10.248 -7.016 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.726 -9.966 -7.289 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.512 -11.269 -7.445 1.00 0.00 C ATOM 1631 NE ARG A 103 -0.856 -12.140 -8.446 1.00 0.00 N ATOM 1632 CZ ARG A 103 -1.174 -13.426 -8.647 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.142 -13.998 -7.918 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -0.525 -14.139 -9.578 1.00 0.00 N ATOM 0 H ARG A 103 0.010 -9.432 -4.793 1.00 0.00 H new ATOM 0 HA ARG A 103 0.352 -11.984 -5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.296 -9.307 -6.930 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.185 -10.790 -7.858 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.145 -9.380 -6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.825 -9.367 -8.194 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.572 -11.784 -6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.534 -11.052 -7.754 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.115 -11.736 -9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.636 -13.454 -7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.384 -14.977 -8.071 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.211 -13.703 -10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.767 -15.118 -9.731 1.00 0.00 H new ATOM 1648 N ARG A 104 3.219 -10.351 -5.492 1.00 0.00 N ATOM 1649 CA ARG A 104 4.652 -10.520 -5.320 1.00 0.00 C ATOM 1650 C ARG A 104 4.948 -11.213 -3.988 1.00 0.00 C ATOM 1651 O ARG A 104 5.756 -12.139 -3.933 1.00 0.00 O ATOM 1652 CB ARG A 104 5.374 -9.172 -5.357 1.00 0.00 C ATOM 1653 CG ARG A 104 4.846 -8.237 -4.267 1.00 0.00 C ATOM 1654 CD ARG A 104 5.086 -6.772 -4.638 1.00 0.00 C ATOM 1655 NE ARG A 104 6.234 -6.237 -3.872 1.00 0.00 N ATOM 1656 CZ ARG A 104 6.904 -5.125 -4.201 1.00 0.00 C ATOM 1657 NH1 ARG A 104 6.546 -4.422 -5.284 1.00 0.00 N ATOM 1658 NH2 ARG A 104 7.933 -4.715 -3.446 1.00 0.00 N ATOM 0 H ARG A 104 2.909 -9.382 -5.561 1.00 0.00 H new ATOM 0 HA ARG A 104 5.015 -11.136 -6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.445 -9.325 -5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.239 -8.710 -6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.780 -8.409 -4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.338 -8.462 -3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.280 -6.686 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.192 -6.184 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 104 6.534 -6.747 -3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.763 -4.734 -5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.057 -3.575 -5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.205 -5.250 -2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 104 8.444 -3.868 -3.696 1.00 0.00 H new ATOM 1672 N GLN A 105 4.279 -10.738 -2.949 1.00 0.00 N ATOM 1673 CA GLN A 105 4.460 -11.300 -1.621 1.00 0.00 C ATOM 1674 C GLN A 105 4.651 -12.816 -1.708 1.00 0.00 C ATOM 1675 O GLN A 105 5.449 -13.388 -0.968 1.00 0.00 O ATOM 1676 CB GLN A 105 3.283 -10.947 -0.710 1.00 0.00 C ATOM 1677 CG GLN A 105 3.681 -9.881 0.312 1.00 0.00 C ATOM 1678 CD GLN A 105 3.175 -10.245 1.709 1.00 0.00 C ATOM 1679 OE1 GLN A 105 3.488 -11.288 2.259 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.377 -9.329 2.251 1.00 0.00 N ATOM 0 H GLN A 105 3.610 -9.970 -2.999 1.00 0.00 H new ATOM 0 HA GLN A 105 5.358 -10.864 -1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.449 -10.586 -1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.938 -11.842 -0.192 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.766 -9.776 0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.273 -8.915 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.155 -8.477 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.987 -9.479 3.182 1.00 0.00 H new