USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 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 28 THR OG1 : rot 139:sc= -1.34 USER MOD Set 1.2: A 31 SER OG : rot -170:sc= -0.643 USER MOD Single : A 20 MET CE :methyl -177:sc= -0.0183 (180deg=-0.0445) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -2.72! K(o=-2.7!,f=-1.2) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.507 K(o=0.51,f=-0.31) USER MOD Single : A 45 ASN : amide:sc= 0.629 K(o=0.63,f=-2.1!) USER MOD Single : A 51 TYR OH : rot 80:sc= -1.38 USER MOD Single : A 52 GLN : amide:sc= -1.64! K(o=-1.6!,f=-1.1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -143:sc= 0.661 USER MOD Single : A 67 SER OG : rot 85:sc= 0.0401 USER MOD Single : A 71 MET CE :methyl 137:sc= -2.24 (180deg=-2.77) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 5:sc= 0.341 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0599 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.95! C(o=-2!,f=-2.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 91 TYR OH : rot 3:sc= -0.482 USER MOD Single : A 96 GLN : amide:sc= -0.707 K(o=-0.71,f=0) USER MOD Single : A 99 ASN : amide:sc= -5.44! C(o=-5.4!,f=-18!) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 107 SER OG : rot 130:sc= -0.395 USER MOD Single : A 108 SER OG : rot 180:sc= 0.0962 USER MOD Single : A 111 ASN : amide:sc= -0.723 K(o=-0.72,f=-3.1!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -158:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 12.016 11.647 -3.378 1.00 0.00 N ATOM 151 CA ALA A 14 10.915 10.699 -3.335 1.00 0.00 C ATOM 152 C ALA A 14 11.058 9.706 -4.490 1.00 0.00 C ATOM 153 O ALA A 14 11.768 9.972 -5.458 1.00 0.00 O ATOM 154 CB ALA A 14 9.587 11.457 -3.379 1.00 0.00 C ATOM 0 HA ALA A 14 10.935 10.129 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.761 10.746 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.522 12.128 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.530 12.038 -4.300 1.00 0.00 H new ATOM 160 N PRO A 15 10.353 8.552 -4.346 1.00 0.00 N ATOM 161 CA PRO A 15 10.394 7.518 -5.366 1.00 0.00 C ATOM 162 C PRO A 15 9.560 7.916 -6.585 1.00 0.00 C ATOM 163 O PRO A 15 8.470 8.469 -6.442 1.00 0.00 O ATOM 164 CB PRO A 15 9.879 6.265 -4.677 1.00 0.00 C ATOM 165 CG PRO A 15 9.134 6.745 -3.442 1.00 0.00 C ATOM 166 CD PRO A 15 9.501 8.202 -3.213 1.00 0.00 C ATOM 0 HA PRO A 15 11.397 7.356 -5.760 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.220 5.700 -5.336 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.701 5.603 -4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.058 6.640 -3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.404 6.142 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.613 8.833 -3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.026 8.334 -2.267 1.00 0.00 H new ATOM 174 N ASP A 16 10.103 7.619 -7.757 1.00 0.00 N ATOM 175 CA ASP A 16 9.423 7.940 -9.000 1.00 0.00 C ATOM 176 C ASP A 16 8.941 6.646 -9.661 1.00 0.00 C ATOM 177 O ASP A 16 9.117 6.457 -10.863 1.00 0.00 O ATOM 178 CB ASP A 16 10.363 8.648 -9.976 1.00 0.00 C ATOM 179 CG ASP A 16 10.732 10.083 -9.594 1.00 0.00 C ATOM 180 OD1 ASP A 16 10.051 10.623 -8.695 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.685 10.608 -10.210 1.00 0.00 O ATOM 0 H ASP A 16 11.006 7.159 -7.872 1.00 0.00 H new ATOM 0 HA ASP A 16 8.586 8.598 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.279 8.064 -10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.898 8.659 -10.962 1.00 0.00 H new ATOM 186 N GLY A 17 8.344 5.790 -8.845 1.00 0.00 N ATOM 187 CA GLY A 17 7.836 4.520 -9.336 1.00 0.00 C ATOM 188 C GLY A 17 7.220 3.700 -8.200 1.00 0.00 C ATOM 189 O GLY A 17 7.729 3.704 -7.080 1.00 0.00 O ATOM 0 H GLY A 17 8.201 5.951 -7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.088 4.698 -10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.645 3.955 -9.800 1.00 0.00 H new ATOM 193 N PRO A 18 6.105 2.999 -8.537 1.00 0.00 N ATOM 194 CA PRO A 18 5.414 2.176 -7.559 1.00 0.00 C ATOM 195 C PRO A 18 6.186 0.884 -7.286 1.00 0.00 C ATOM 196 O PRO A 18 7.189 0.606 -7.940 1.00 0.00 O ATOM 197 CB PRO A 18 4.036 1.931 -8.153 1.00 0.00 C ATOM 198 CG PRO A 18 4.164 2.230 -9.638 1.00 0.00 C ATOM 199 CD PRO A 18 5.474 2.971 -9.854 1.00 0.00 C ATOM 0 HA PRO A 18 5.333 2.659 -6.585 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.717 0.902 -7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.290 2.575 -7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.148 1.306 -10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.323 2.834 -9.980 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.102 2.460 -10.584 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.301 3.979 -10.232 1.00 0.00 H new ATOM 207 N PRO A 19 5.675 0.108 -6.293 1.00 0.00 N ATOM 208 CA PRO A 19 6.305 -1.148 -5.925 1.00 0.00 C ATOM 209 C PRO A 19 6.017 -2.232 -6.966 1.00 0.00 C ATOM 210 O PRO A 19 5.167 -2.051 -7.836 1.00 0.00 O ATOM 211 CB PRO A 19 5.747 -1.482 -4.551 1.00 0.00 C ATOM 212 CG PRO A 19 4.483 -0.650 -4.402 1.00 0.00 C ATOM 213 CD PRO A 19 4.488 0.405 -5.496 1.00 0.00 C ATOM 0 HA PRO A 19 7.392 -1.078 -5.892 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.527 -2.546 -4.467 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.467 -1.243 -3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.598 -1.281 -4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.449 -0.180 -3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.582 0.353 -6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.534 1.410 -5.077 1.00 0.00 H new ATOM 221 N MET A 20 6.743 -3.334 -6.843 1.00 0.00 N ATOM 222 CA MET A 20 6.576 -4.446 -7.763 1.00 0.00 C ATOM 223 C MET A 20 5.869 -5.619 -7.082 1.00 0.00 C ATOM 224 O MET A 20 5.802 -5.681 -5.855 1.00 0.00 O ATOM 225 CB MET A 20 7.946 -4.900 -8.270 1.00 0.00 C ATOM 226 CG MET A 20 8.801 -3.701 -8.688 1.00 0.00 C ATOM 227 SD MET A 20 9.966 -4.191 -9.947 1.00 0.00 S ATOM 228 CE MET A 20 8.919 -4.103 -11.390 1.00 0.00 C ATOM 0 H MET A 20 7.448 -3.480 -6.120 1.00 0.00 H new ATOM 0 HA MET A 20 5.962 -4.112 -8.599 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.459 -5.462 -7.489 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.819 -5.574 -9.117 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.162 -2.902 -9.064 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.333 -3.304 -7.823 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.478 -4.432 -12.266 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.052 -4.748 -11.250 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.587 -3.075 -11.536 1.00 0.00 H new ATOM 238 N ASP A 21 5.360 -6.522 -7.907 1.00 0.00 N ATOM 239 CA ASP A 21 4.661 -7.690 -7.400 1.00 0.00 C ATOM 240 C ASP A 21 3.512 -7.239 -6.495 1.00 0.00 C ATOM 241 O ASP A 21 3.379 -7.717 -5.370 1.00 0.00 O ATOM 242 CB ASP A 21 5.595 -8.575 -6.572 1.00 0.00 C ATOM 243 CG ASP A 21 5.004 -9.921 -6.148 1.00 0.00 C ATOM 244 OD1 ASP A 21 4.982 -10.827 -7.008 1.00 0.00 O ATOM 245 OD2 ASP A 21 4.587 -10.013 -4.973 1.00 0.00 O ATOM 0 H ASP A 21 5.418 -6.468 -8.924 1.00 0.00 H new ATOM 0 HA ASP A 21 4.290 -8.257 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.502 -8.759 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.891 -8.027 -5.677 1.00 0.00 H new ATOM 250 N VAL A 22 2.711 -6.324 -7.022 1.00 0.00 N ATOM 251 CA VAL A 22 1.578 -5.803 -6.276 1.00 0.00 C ATOM 252 C VAL A 22 0.355 -6.686 -6.531 1.00 0.00 C ATOM 253 O VAL A 22 -0.237 -6.636 -7.607 1.00 0.00 O ATOM 254 CB VAL A 22 1.342 -4.336 -6.640 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.402 -3.666 -5.635 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.667 -3.576 -6.742 1.00 0.00 C ATOM 0 H VAL A 22 2.824 -5.930 -7.956 1.00 0.00 H new ATOM 0 HA VAL A 22 1.781 -5.830 -5.205 1.00 0.00 H new ATOM 0 HB VAL A 22 0.863 -4.307 -7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.251 -2.624 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.557 -4.184 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.842 -3.712 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.471 -2.536 -7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.186 -3.619 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.289 -4.031 -7.513 1.00 0.00 H new ATOM 266 N THR A 23 0.014 -7.475 -5.522 1.00 0.00 N ATOM 267 CA THR A 23 -1.127 -8.368 -5.624 1.00 0.00 C ATOM 268 C THR A 23 -1.815 -8.511 -4.265 1.00 0.00 C ATOM 269 O THR A 23 -1.173 -8.384 -3.223 1.00 0.00 O ATOM 270 CB THR A 23 -0.637 -9.699 -6.199 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.818 -10.315 -6.704 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.149 -10.661 -5.115 1.00 0.00 C ATOM 0 H THR A 23 0.508 -7.514 -4.630 1.00 0.00 H new ATOM 0 HA THR A 23 -1.884 -7.966 -6.297 1.00 0.00 H new ATOM 0 HB THR A 23 0.169 -9.513 -6.908 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.591 -11.184 -7.097 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.187 -11.589 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.678 -10.206 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.964 -10.874 -4.424 1.00 0.00 H new ATOM 280 N LEU A 24 -3.113 -8.772 -4.319 1.00 0.00 N ATOM 281 CA LEU A 24 -3.895 -8.933 -3.105 1.00 0.00 C ATOM 282 C LEU A 24 -4.175 -10.420 -2.877 1.00 0.00 C ATOM 283 O LEU A 24 -4.006 -11.233 -3.785 1.00 0.00 O ATOM 284 CB LEU A 24 -5.159 -8.072 -3.164 1.00 0.00 C ATOM 285 CG LEU A 24 -4.973 -6.642 -3.676 1.00 0.00 C ATOM 286 CD1 LEU A 24 -3.746 -5.987 -3.038 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.909 -6.612 -5.205 1.00 0.00 C ATOM 0 H LEU A 24 -3.643 -8.876 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.334 -8.577 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.887 -8.573 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.590 -8.026 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.842 -6.056 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.636 -4.972 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.871 -5.957 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.855 -6.565 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.777 -5.584 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.069 -7.217 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.836 -7.013 -5.616 1.00 0.00 H new ATOM 299 N GLN A 25 -4.597 -10.730 -1.660 1.00 0.00 N ATOM 300 CA GLN A 25 -4.901 -12.105 -1.301 1.00 0.00 C ATOM 301 C GLN A 25 -5.789 -12.145 -0.057 1.00 0.00 C ATOM 302 O GLN A 25 -5.370 -11.732 1.023 1.00 0.00 O ATOM 303 CB GLN A 25 -3.619 -12.912 -1.086 1.00 0.00 C ATOM 304 CG GLN A 25 -3.855 -14.399 -1.359 1.00 0.00 C ATOM 305 CD GLN A 25 -2.697 -15.000 -2.159 1.00 0.00 C ATOM 306 OE1 GLN A 25 -2.559 -14.790 -3.352 1.00 0.00 O ATOM 307 NE2 GLN A 25 -1.877 -15.759 -1.437 1.00 0.00 N ATOM 0 H GLN A 25 -4.736 -10.053 -0.910 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.445 -12.563 -2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.835 -12.538 -1.744 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.268 -12.778 -0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.965 -14.933 -0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.787 -14.528 -1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.051 -15.893 -0.441 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.074 -16.207 -1.879 1.00 0.00 H new ATOM 316 N PRO A 26 -7.033 -12.658 -0.254 1.00 0.00 N ATOM 317 CA PRO A 26 -7.984 -12.757 0.840 1.00 0.00 C ATOM 318 C PRO A 26 -7.621 -13.908 1.780 1.00 0.00 C ATOM 319 O PRO A 26 -7.800 -15.075 1.436 1.00 0.00 O ATOM 320 CB PRO A 26 -9.336 -12.942 0.170 1.00 0.00 C ATOM 321 CG PRO A 26 -9.039 -13.404 -1.248 1.00 0.00 C ATOM 322 CD PRO A 26 -7.565 -13.157 -1.519 1.00 0.00 C ATOM 0 HA PRO A 26 -7.987 -11.872 1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.938 -13.678 0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.901 -12.010 0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.276 -14.462 -1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.655 -12.860 -1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.060 -14.073 -1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.426 -12.432 -2.321 1.00 0.00 H new ATOM 330 N VAL A 27 -7.117 -13.538 2.949 1.00 0.00 N ATOM 331 CA VAL A 27 -6.727 -14.525 3.941 1.00 0.00 C ATOM 332 C VAL A 27 -7.934 -14.865 4.818 1.00 0.00 C ATOM 333 O VAL A 27 -8.101 -16.011 5.234 1.00 0.00 O ATOM 334 CB VAL A 27 -5.530 -14.014 4.745 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.247 -14.073 3.913 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.782 -12.597 5.264 1.00 0.00 C ATOM 0 H VAL A 27 -6.970 -12.569 3.231 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.407 -15.447 3.456 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.402 -14.668 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.411 -13.704 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.054 -15.103 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.361 -13.453 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.916 -12.258 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.949 -11.925 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.661 -12.597 5.908 1.00 0.00 H new ATOM 346 N THR A 28 -8.745 -13.849 5.073 1.00 0.00 N ATOM 347 CA THR A 28 -9.932 -14.025 5.892 1.00 0.00 C ATOM 348 C THR A 28 -11.187 -13.654 5.101 1.00 0.00 C ATOM 349 O THR A 28 -11.228 -13.818 3.882 1.00 0.00 O ATOM 350 CB THR A 28 -9.752 -13.201 7.169 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.845 -11.850 6.725 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.337 -13.309 7.741 1.00 0.00 C ATOM 0 H THR A 28 -8.603 -12.900 4.726 1.00 0.00 H new ATOM 0 HA THR A 28 -10.064 -15.069 6.177 1.00 0.00 H new ATOM 0 HB THR A 28 -10.472 -13.530 7.918 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.371 -11.330 7.368 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.263 -12.706 8.646 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.120 -14.350 7.980 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.619 -12.948 7.005 1.00 0.00 H new ATOM 360 N SER A 29 -12.180 -13.160 5.825 1.00 0.00 N ATOM 361 CA SER A 29 -13.434 -12.764 5.206 1.00 0.00 C ATOM 362 C SER A 29 -13.591 -11.243 5.269 1.00 0.00 C ATOM 363 O SER A 29 -14.320 -10.657 4.470 1.00 0.00 O ATOM 364 CB SER A 29 -14.623 -13.449 5.882 1.00 0.00 C ATOM 365 OG SER A 29 -15.510 -14.037 4.934 1.00 0.00 O ATOM 0 H SER A 29 -12.142 -13.025 6.835 1.00 0.00 H new ATOM 0 HA SER A 29 -13.414 -13.078 4.162 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.259 -14.218 6.563 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.167 -12.721 6.484 1.00 0.00 H new ATOM 0 HG SER A 29 -16.255 -14.466 5.405 1.00 0.00 H new ATOM 371 N GLN A 30 -12.895 -10.648 6.227 1.00 0.00 N ATOM 372 CA GLN A 30 -12.948 -9.207 6.405 1.00 0.00 C ATOM 373 C GLN A 30 -11.536 -8.619 6.406 1.00 0.00 C ATOM 374 O GLN A 30 -11.232 -7.725 7.193 1.00 0.00 O ATOM 375 CB GLN A 30 -13.695 -8.840 7.689 1.00 0.00 C ATOM 376 CG GLN A 30 -15.200 -9.066 7.531 1.00 0.00 C ATOM 377 CD GLN A 30 -15.901 -9.059 8.891 1.00 0.00 C ATOM 378 OE1 GLN A 30 -15.742 -9.954 9.705 1.00 0.00 O ATOM 379 NE2 GLN A 30 -16.684 -8.003 9.091 1.00 0.00 N ATOM 0 H GLN A 30 -12.292 -11.138 6.888 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.498 -8.778 5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.318 -9.440 8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.505 -7.796 7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.623 -8.288 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.378 -10.018 7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.773 -7.289 8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.196 -7.907 9.968 1.00 0.00 H new ATOM 388 N SER A 31 -10.709 -9.147 5.514 1.00 0.00 N ATOM 389 CA SER A 31 -9.336 -8.686 5.402 1.00 0.00 C ATOM 390 C SER A 31 -8.726 -9.174 4.087 1.00 0.00 C ATOM 391 O SER A 31 -9.303 -10.021 3.407 1.00 0.00 O ATOM 392 CB SER A 31 -8.496 -9.166 6.587 1.00 0.00 C ATOM 393 OG SER A 31 -7.309 -9.833 6.165 1.00 0.00 O ATOM 0 H SER A 31 -10.964 -9.889 4.863 1.00 0.00 H new ATOM 0 HA SER A 31 -9.339 -7.596 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.230 -8.313 7.212 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.091 -9.840 7.204 1.00 0.00 H new ATOM 0 HG SER A 31 -6.882 -10.260 6.937 1.00 0.00 H new ATOM 399 N ILE A 32 -7.567 -8.618 3.767 1.00 0.00 N ATOM 400 CA ILE A 32 -6.872 -8.986 2.545 1.00 0.00 C ATOM 401 C ILE A 32 -5.371 -8.755 2.727 1.00 0.00 C ATOM 402 O ILE A 32 -4.958 -7.740 3.288 1.00 0.00 O ATOM 403 CB ILE A 32 -7.467 -8.244 1.346 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.920 -8.661 1.109 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.604 -8.437 0.098 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.473 -8.020 -0.165 1.00 0.00 C ATOM 0 H ILE A 32 -7.091 -7.915 4.333 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.008 -10.047 2.334 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.471 -7.178 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.983 -9.746 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.530 -8.367 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.049 -7.899 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.602 -8.051 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.545 -9.498 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.507 -8.333 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.431 -6.935 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.875 -8.335 -1.020 1.00 0.00 H new ATOM 418 N GLN A 33 -4.594 -9.713 2.244 1.00 0.00 N ATOM 419 CA GLN A 33 -3.147 -9.627 2.346 1.00 0.00 C ATOM 420 C GLN A 33 -2.562 -8.993 1.083 1.00 0.00 C ATOM 421 O GLN A 33 -2.871 -9.417 -0.029 1.00 0.00 O ATOM 422 CB GLN A 33 -2.533 -11.005 2.603 1.00 0.00 C ATOM 423 CG GLN A 33 -1.005 -10.925 2.641 1.00 0.00 C ATOM 424 CD GLN A 33 -0.387 -12.319 2.769 1.00 0.00 C ATOM 425 OE1 GLN A 33 -1.072 -13.321 2.895 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.943 -12.327 2.731 1.00 0.00 N ATOM 0 H GLN A 33 -4.939 -10.553 1.781 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.899 -8.991 3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.904 -11.402 3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.845 -11.698 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.640 -10.443 1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.690 -10.305 3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.455 -11.452 2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.450 -13.209 2.809 1.00 0.00 H new ATOM 435 N VAL A 34 -1.727 -7.986 1.297 1.00 0.00 N ATOM 436 CA VAL A 34 -1.096 -7.289 0.189 1.00 0.00 C ATOM 437 C VAL A 34 0.419 -7.494 0.260 1.00 0.00 C ATOM 438 O VAL A 34 1.070 -7.019 1.189 1.00 0.00 O ATOM 439 CB VAL A 34 -1.501 -5.814 0.201 1.00 0.00 C ATOM 440 CG1 VAL A 34 -0.931 -5.080 -1.015 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.022 -5.663 0.269 1.00 0.00 C ATOM 0 H VAL A 34 -1.473 -7.636 2.221 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.435 -7.698 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.079 -5.358 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.233 -4.033 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.157 -5.144 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.310 -5.539 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.283 -4.605 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.474 -6.142 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.394 -6.135 1.179 1.00 0.00 H new ATOM 451 N THR A 35 0.935 -8.202 -0.734 1.00 0.00 N ATOM 452 CA THR A 35 2.361 -8.475 -0.796 1.00 0.00 C ATOM 453 C THR A 35 2.987 -7.769 -2.000 1.00 0.00 C ATOM 454 O THR A 35 2.444 -7.815 -3.103 1.00 0.00 O ATOM 455 CB THR A 35 2.550 -9.993 -0.816 1.00 0.00 C ATOM 456 OG1 THR A 35 1.425 -10.474 -1.546 1.00 0.00 O ATOM 457 CG2 THR A 35 2.392 -10.621 0.570 1.00 0.00 C ATOM 0 H THR A 35 0.391 -8.595 -1.503 1.00 0.00 H new ATOM 0 HA THR A 35 2.878 -8.079 0.078 1.00 0.00 H new ATOM 0 HB THR A 35 3.538 -10.230 -1.211 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.469 -11.451 -1.608 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.536 -11.699 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.135 -10.199 1.247 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.393 -10.412 0.952 1.00 0.00 H new ATOM 465 N TRP A 36 4.121 -7.131 -1.748 1.00 0.00 N ATOM 466 CA TRP A 36 4.827 -6.416 -2.798 1.00 0.00 C ATOM 467 C TRP A 36 6.327 -6.521 -2.514 1.00 0.00 C ATOM 468 O TRP A 36 6.733 -7.088 -1.501 1.00 0.00 O ATOM 469 CB TRP A 36 4.338 -4.971 -2.901 1.00 0.00 C ATOM 470 CG TRP A 36 4.699 -4.104 -1.693 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.852 -3.466 -1.450 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.849 -3.802 -0.566 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.808 -2.780 -0.254 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.551 -2.990 0.301 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.530 -4.203 -0.288 1.00 0.00 C ATOM 476 CZ2 TRP A 36 4.018 -2.509 1.503 1.00 0.00 C ATOM 477 CZ3 TRP A 36 2.012 -3.714 0.917 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.706 -2.896 1.800 1.00 0.00 C ATOM 0 H TRP A 36 4.568 -7.094 -0.832 1.00 0.00 H new ATOM 0 HA TRP A 36 4.625 -6.861 -3.772 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.760 -4.519 -3.799 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.255 -4.973 -3.023 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.708 -3.486 -2.108 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.560 -2.221 0.149 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.962 -4.838 -0.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.588 -1.874 2.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.002 -3.992 1.179 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.235 -2.560 2.712 1.00 0.00 H new ATOM 489 N LYS A 37 7.109 -5.966 -3.428 1.00 0.00 N ATOM 490 CA LYS A 37 8.555 -5.990 -3.289 1.00 0.00 C ATOM 491 C LYS A 37 9.118 -4.605 -3.616 1.00 0.00 C ATOM 492 O LYS A 37 8.442 -3.788 -4.238 1.00 0.00 O ATOM 493 CB LYS A 37 9.157 -7.113 -4.137 1.00 0.00 C ATOM 494 CG LYS A 37 8.953 -8.474 -3.468 1.00 0.00 C ATOM 495 CD LYS A 37 9.726 -9.569 -4.206 1.00 0.00 C ATOM 496 CE LYS A 37 10.891 -10.084 -3.358 1.00 0.00 C ATOM 497 NZ LYS A 37 11.516 -11.264 -3.998 1.00 0.00 N ATOM 0 H LYS A 37 6.769 -5.497 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 37 8.834 -6.214 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.695 -7.116 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.222 -6.932 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.284 -8.427 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.891 -8.720 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.055 -10.393 -4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.104 -9.179 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.633 -9.296 -3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.535 -10.349 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.305 -11.601 -3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.809 -12.021 -4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.874 -11.000 -4.938 1.00 0.00 H new ATOM 511 N ALA A 38 10.350 -4.384 -3.180 1.00 0.00 N ATOM 512 CA ALA A 38 11.010 -3.112 -3.418 1.00 0.00 C ATOM 513 C ALA A 38 10.765 -2.678 -4.865 1.00 0.00 C ATOM 514 O ALA A 38 10.786 -3.503 -5.777 1.00 0.00 O ATOM 515 CB ALA A 38 12.500 -3.242 -3.093 1.00 0.00 C ATOM 0 H ALA A 38 10.908 -5.064 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 38 10.600 -2.339 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.996 -2.288 -3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.621 -3.524 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.946 -4.007 -3.729 1.00 0.00 H new ATOM 521 N PRO A 39 10.532 -1.348 -5.034 1.00 0.00 N ATOM 522 CA PRO A 39 10.283 -0.794 -6.353 1.00 0.00 C ATOM 523 C PRO A 39 11.577 -0.706 -7.164 1.00 0.00 C ATOM 524 O PRO A 39 12.663 -0.933 -6.633 1.00 0.00 O ATOM 525 CB PRO A 39 9.649 0.563 -6.097 1.00 0.00 C ATOM 526 CG PRO A 39 9.990 0.917 -4.659 1.00 0.00 C ATOM 527 CD PRO A 39 10.500 -0.342 -3.977 1.00 0.00 C ATOM 0 HA PRO A 39 9.623 -1.420 -6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.038 1.312 -6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.570 0.524 -6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.747 1.701 -4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.111 1.302 -4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.490 -0.187 -3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.843 -0.645 -3.162 1.00 0.00 H new ATOM 535 N LYS A 40 11.419 -0.375 -8.438 1.00 0.00 N ATOM 536 CA LYS A 40 12.562 -0.254 -9.327 1.00 0.00 C ATOM 537 C LYS A 40 13.716 0.415 -8.578 1.00 0.00 C ATOM 538 O LYS A 40 13.499 1.108 -7.586 1.00 0.00 O ATOM 539 CB LYS A 40 12.163 0.470 -10.615 1.00 0.00 C ATOM 540 CG LYS A 40 12.237 -0.473 -11.818 1.00 0.00 C ATOM 541 CD LYS A 40 10.837 -0.887 -12.276 1.00 0.00 C ATOM 542 CE LYS A 40 10.905 -1.743 -13.542 1.00 0.00 C ATOM 543 NZ LYS A 40 9.857 -1.331 -14.503 1.00 0.00 N ATOM 0 H LYS A 40 10.517 -0.187 -8.875 1.00 0.00 H new ATOM 0 HA LYS A 40 12.911 -1.239 -9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.151 0.862 -10.517 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.822 1.323 -10.776 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.762 0.018 -12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.815 -1.359 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.341 -1.445 -11.482 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.235 0.002 -12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.888 -1.644 -14.002 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.778 -2.794 -13.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.917 -1.922 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.920 -1.448 -14.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.996 -0.333 -14.762 1.00 0.00 H new ATOM 557 N LYS A 41 14.919 0.183 -9.082 1.00 0.00 N ATOM 558 CA LYS A 41 16.109 0.754 -8.474 1.00 0.00 C ATOM 559 C LYS A 41 16.308 2.179 -8.993 1.00 0.00 C ATOM 560 O LYS A 41 16.478 3.111 -8.209 1.00 0.00 O ATOM 561 CB LYS A 41 17.317 -0.158 -8.699 1.00 0.00 C ATOM 562 CG LYS A 41 18.625 0.587 -8.427 1.00 0.00 C ATOM 563 CD LYS A 41 19.387 -0.049 -7.264 1.00 0.00 C ATOM 564 CE LYS A 41 20.730 0.649 -7.040 1.00 0.00 C ATOM 565 NZ LYS A 41 21.819 -0.346 -6.925 1.00 0.00 N ATOM 0 H LYS A 41 15.095 -0.393 -9.905 1.00 0.00 H new ATOM 0 HA LYS A 41 15.989 0.822 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.247 -1.028 -8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.312 -0.528 -9.724 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.246 0.577 -9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.412 1.631 -8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.787 0.010 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.553 -1.107 -7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.936 1.328 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.685 1.254 -6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.723 0.145 -6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.629 -0.978 -6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.872 -0.906 -7.800 1.00 0.00 H new ATOM 579 N GLU A 42 16.282 2.303 -10.312 1.00 0.00 N ATOM 580 CA GLU A 42 16.458 3.598 -10.946 1.00 0.00 C ATOM 581 C GLU A 42 15.294 4.526 -10.589 1.00 0.00 C ATOM 582 O GLU A 42 15.349 5.726 -10.853 1.00 0.00 O ATOM 583 CB GLU A 42 16.598 3.453 -12.462 1.00 0.00 C ATOM 584 CG GLU A 42 15.308 2.913 -13.083 1.00 0.00 C ATOM 585 CD GLU A 42 15.370 2.966 -14.611 1.00 0.00 C ATOM 586 OE1 GLU A 42 15.259 4.090 -15.145 1.00 0.00 O ATOM 587 OE2 GLU A 42 15.528 1.880 -15.210 1.00 0.00 O ATOM 0 H GLU A 42 16.142 1.527 -10.959 1.00 0.00 H new ATOM 0 HA GLU A 42 17.380 4.042 -10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 42 16.841 4.420 -12.902 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.425 2.781 -12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.146 1.885 -12.758 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.458 3.497 -12.730 1.00 0.00 H new ATOM 594 N LEU A 43 14.268 3.935 -9.995 1.00 0.00 N ATOM 595 CA LEU A 43 13.094 4.693 -9.600 1.00 0.00 C ATOM 596 C LEU A 43 13.093 4.869 -8.080 1.00 0.00 C ATOM 597 O LEU A 43 12.432 5.763 -7.555 1.00 0.00 O ATOM 598 CB LEU A 43 11.824 4.035 -10.143 1.00 0.00 C ATOM 599 CG LEU A 43 11.737 3.900 -11.664 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.400 3.286 -12.085 1.00 0.00 C ATOM 601 CD2 LEU A 43 11.991 5.244 -12.350 1.00 0.00 C ATOM 0 H LEU A 43 14.226 2.939 -9.778 1.00 0.00 H new ATOM 0 HA LEU A 43 13.121 5.691 -10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.738 3.041 -9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.965 4.611 -9.799 1.00 0.00 H new ATOM 0 HG LEU A 43 12.522 3.218 -11.991 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.364 3.201 -13.171 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.298 2.296 -11.640 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.584 3.923 -11.744 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.923 5.119 -13.431 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.245 5.967 -12.021 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.986 5.604 -12.088 1.00 0.00 H new ATOM 613 N GLN A 44 13.842 4.001 -7.416 1.00 0.00 N ATOM 614 CA GLN A 44 13.937 4.049 -5.966 1.00 0.00 C ATOM 615 C GLN A 44 14.271 5.468 -5.503 1.00 0.00 C ATOM 616 O GLN A 44 13.642 5.989 -4.583 1.00 0.00 O ATOM 617 CB GLN A 44 14.971 3.046 -5.451 1.00 0.00 C ATOM 618 CG GLN A 44 14.297 1.921 -4.662 1.00 0.00 C ATOM 619 CD GLN A 44 15.218 0.704 -4.548 1.00 0.00 C ATOM 620 OE1 GLN A 44 16.087 0.628 -3.695 1.00 0.00 O ATOM 621 NE2 GLN A 44 14.981 -0.241 -5.454 1.00 0.00 N ATOM 0 H GLN A 44 14.389 3.260 -7.855 1.00 0.00 H new ATOM 0 HA GLN A 44 12.970 3.770 -5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.525 2.625 -6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.695 3.557 -4.816 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.034 2.277 -3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.367 1.634 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.238 -0.114 -6.141 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.543 -1.092 -5.462 1.00 0.00 H new ATOM 630 N ASN A 45 15.261 6.054 -6.161 1.00 0.00 N ATOM 631 CA ASN A 45 15.686 7.403 -5.829 1.00 0.00 C ATOM 632 C ASN A 45 16.149 7.442 -4.371 1.00 0.00 C ATOM 633 O ASN A 45 15.828 8.377 -3.639 1.00 0.00 O ATOM 634 CB ASN A 45 14.535 8.398 -5.986 1.00 0.00 C ATOM 635 CG ASN A 45 14.436 8.898 -7.429 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.385 8.856 -8.194 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.237 9.373 -7.755 1.00 0.00 N ATOM 0 H ASN A 45 15.781 5.619 -6.923 1.00 0.00 H new ATOM 0 HA ASN A 45 16.495 7.678 -6.506 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.597 7.924 -5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.686 9.243 -5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.069 9.732 -8.695 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.486 9.379 -7.065 1.00 0.00 H new ATOM 644 N GLY A 46 16.895 6.415 -3.992 1.00 0.00 N ATOM 645 CA GLY A 46 17.405 6.320 -2.635 1.00 0.00 C ATOM 646 C GLY A 46 16.847 5.085 -1.925 1.00 0.00 C ATOM 647 O GLY A 46 16.406 4.138 -2.573 1.00 0.00 O ATOM 0 H GLY A 46 17.159 5.641 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.494 6.272 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.135 7.217 -2.078 1.00 0.00 H new ATOM 651 N VAL A 47 16.885 5.136 -0.601 1.00 0.00 N ATOM 652 CA VAL A 47 16.388 4.033 0.204 1.00 0.00 C ATOM 653 C VAL A 47 14.906 4.258 0.511 1.00 0.00 C ATOM 654 O VAL A 47 14.372 5.336 0.253 1.00 0.00 O ATOM 655 CB VAL A 47 17.243 3.879 1.464 1.00 0.00 C ATOM 656 CG1 VAL A 47 16.957 5.004 2.461 1.00 0.00 C ATOM 657 CG2 VAL A 47 17.028 2.508 2.108 1.00 0.00 C ATOM 0 H VAL A 47 17.252 5.923 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 47 16.467 3.094 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 47 18.290 3.950 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.577 4.871 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.184 5.965 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.905 4.978 2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 47 17.647 2.424 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.979 2.395 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 47 17.305 1.726 1.401 1.00 0.00 H new ATOM 667 N ILE A 48 14.284 3.223 1.056 1.00 0.00 N ATOM 668 CA ILE A 48 12.874 3.294 1.401 1.00 0.00 C ATOM 669 C ILE A 48 12.720 3.215 2.921 1.00 0.00 C ATOM 670 O ILE A 48 13.536 2.592 3.599 1.00 0.00 O ATOM 671 CB ILE A 48 12.084 2.224 0.646 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.621 2.046 -0.776 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.586 2.538 0.658 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.313 3.273 -1.636 1.00 0.00 C ATOM 0 H ILE A 48 14.730 2.331 1.267 1.00 0.00 H new ATOM 0 HA ILE A 48 12.453 4.249 1.088 1.00 0.00 H new ATOM 0 HB ILE A 48 12.218 1.273 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.698 1.881 -0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.176 1.160 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.047 1.762 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.230 2.574 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.413 3.502 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.705 3.120 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.234 3.421 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.780 4.153 -1.194 1.00 0.00 H new ATOM 686 N ARG A 49 11.669 3.855 3.412 1.00 0.00 N ATOM 687 CA ARG A 49 11.398 3.865 4.839 1.00 0.00 C ATOM 688 C ARG A 49 10.085 3.137 5.135 1.00 0.00 C ATOM 689 O ARG A 49 9.951 2.487 6.170 1.00 0.00 O ATOM 690 CB ARG A 49 11.312 5.296 5.374 1.00 0.00 C ATOM 691 CG ARG A 49 12.665 6.003 5.269 1.00 0.00 C ATOM 692 CD ARG A 49 13.294 6.189 6.651 1.00 0.00 C ATOM 693 NE ARG A 49 14.769 6.216 6.536 1.00 0.00 N ATOM 694 CZ ARG A 49 15.604 6.262 7.584 1.00 0.00 C ATOM 695 NH1 ARG A 49 15.113 6.287 8.831 1.00 0.00 N ATOM 696 NH2 ARG A 49 16.929 6.284 7.385 1.00 0.00 N ATOM 0 H ARG A 49 10.995 4.371 2.846 1.00 0.00 H new ATOM 0 HA ARG A 49 12.222 3.353 5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.562 5.853 4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.986 5.280 6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.335 5.422 4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.536 6.974 4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.939 7.117 7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.987 5.378 7.311 1.00 0.00 H new ATOM 0 HE ARG A 49 15.176 6.199 5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.104 6.271 8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.748 6.322 9.629 1.00 0.00 H new ATOM 0 HH21 ARG A 49 17.303 6.266 6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.564 6.319 8.182 1.00 0.00 H new ATOM 710 N GLY A 50 9.149 3.271 4.206 1.00 0.00 N ATOM 711 CA GLY A 50 7.852 2.634 4.354 1.00 0.00 C ATOM 712 C GLY A 50 6.999 2.828 3.099 1.00 0.00 C ATOM 713 O GLY A 50 7.376 3.575 2.197 1.00 0.00 O ATOM 0 H GLY A 50 9.264 3.811 3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.986 1.569 4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.334 3.051 5.218 1.00 0.00 H new ATOM 717 N TYR A 51 5.866 2.142 3.080 1.00 0.00 N ATOM 718 CA TYR A 51 4.957 2.230 1.950 1.00 0.00 C ATOM 719 C TYR A 51 3.521 2.478 2.419 1.00 0.00 C ATOM 720 O TYR A 51 3.147 2.082 3.522 1.00 0.00 O ATOM 721 CB TYR A 51 5.024 0.871 1.249 1.00 0.00 C ATOM 722 CG TYR A 51 6.389 0.555 0.636 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.498 0.428 1.447 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.512 0.395 -0.730 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.783 0.130 0.870 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.797 0.097 -1.307 1.00 0.00 C ATOM 727 CZ TYR A 51 8.869 -0.021 -0.479 1.00 0.00 C ATOM 728 OH TYR A 51 10.082 -0.303 -1.024 1.00 0.00 O ATOM 0 H TYR A 51 5.557 1.523 3.829 1.00 0.00 H new ATOM 0 HA TYR A 51 5.238 3.054 1.294 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.770 0.091 1.966 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.269 0.841 0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.402 0.552 2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.644 0.493 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.659 0.029 1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.907 -0.030 -2.374 1.00 0.00 H new ATOM 0 HH TYR A 51 10.274 -1.258 -0.919 1.00 0.00 H new ATOM 738 N GLN A 52 2.756 3.132 1.557 1.00 0.00 N ATOM 739 CA GLN A 52 1.371 3.438 1.869 1.00 0.00 C ATOM 740 C GLN A 52 0.434 2.515 1.086 1.00 0.00 C ATOM 741 O GLN A 52 0.623 2.305 -0.111 1.00 0.00 O ATOM 742 CB GLN A 52 1.056 4.908 1.584 1.00 0.00 C ATOM 743 CG GLN A 52 1.306 5.772 2.822 1.00 0.00 C ATOM 744 CD GLN A 52 1.042 7.249 2.522 1.00 0.00 C ATOM 745 OE1 GLN A 52 1.367 7.762 1.464 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.436 7.902 3.511 1.00 0.00 N ATOM 0 H GLN A 52 3.070 3.458 0.643 1.00 0.00 H new ATOM 0 HA GLN A 52 1.213 3.267 2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.673 5.262 0.758 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.017 5.007 1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.661 5.442 3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.335 5.644 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.191 7.412 4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.216 8.893 3.409 1.00 0.00 H new ATOM 755 N ILE A 53 -0.555 1.990 1.794 1.00 0.00 N ATOM 756 CA ILE A 53 -1.521 1.095 1.180 1.00 0.00 C ATOM 757 C ILE A 53 -2.887 1.783 1.129 1.00 0.00 C ATOM 758 O ILE A 53 -3.558 1.917 2.151 1.00 0.00 O ATOM 759 CB ILE A 53 -1.539 -0.252 1.905 1.00 0.00 C ATOM 760 CG1 ILE A 53 -0.161 -0.917 1.861 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.633 -1.163 1.343 1.00 0.00 C ATOM 762 CD1 ILE A 53 0.760 -0.342 2.939 1.00 0.00 C ATOM 0 H ILE A 53 -0.708 2.167 2.787 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.236 0.874 0.151 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.777 -0.072 2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.267 -1.992 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.287 -0.769 0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.624 -2.114 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.605 -0.685 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.451 -1.339 0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.732 -0.832 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.884 0.729 2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.321 -0.513 3.922 1.00 0.00 H new ATOM 774 N GLY A 54 -3.257 2.203 -0.073 1.00 0.00 N ATOM 775 CA GLY A 54 -4.530 2.874 -0.271 1.00 0.00 C ATOM 776 C GLY A 54 -5.597 1.893 -0.762 1.00 0.00 C ATOM 777 O GLY A 54 -5.563 1.459 -1.913 1.00 0.00 O ATOM 0 H GLY A 54 -2.697 2.091 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.854 3.331 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.411 3.680 -0.995 1.00 0.00 H new ATOM 781 N TYR A 55 -6.518 1.572 0.134 1.00 0.00 N ATOM 782 CA TYR A 55 -7.592 0.650 -0.194 1.00 0.00 C ATOM 783 C TYR A 55 -8.959 1.282 0.077 1.00 0.00 C ATOM 784 O TYR A 55 -9.124 2.021 1.047 1.00 0.00 O ATOM 785 CB TYR A 55 -7.409 -0.556 0.730 1.00 0.00 C ATOM 786 CG TYR A 55 -7.824 -0.298 2.180 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.943 0.306 3.053 1.00 0.00 C ATOM 788 CD2 TYR A 55 -9.080 -0.670 2.615 1.00 0.00 C ATOM 789 CE1 TYR A 55 -7.333 0.549 4.417 1.00 0.00 C ATOM 790 CE2 TYR A 55 -9.471 -0.427 3.979 1.00 0.00 C ATOM 791 CZ TYR A 55 -8.578 0.170 4.813 1.00 0.00 C ATOM 792 OH TYR A 55 -8.947 0.399 6.102 1.00 0.00 O ATOM 0 H TYR A 55 -6.543 1.934 1.087 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.556 0.378 -1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.990 -1.391 0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.362 -0.860 0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.960 0.597 2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.770 -1.144 1.932 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.653 1.021 5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.451 -0.712 4.332 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.862 0.078 6.242 1.00 0.00 H new ATOM 802 N ARG A 56 -9.904 0.969 -0.797 1.00 0.00 N ATOM 803 CA ARG A 56 -11.251 1.498 -0.665 1.00 0.00 C ATOM 804 C ARG A 56 -12.251 0.585 -1.376 1.00 0.00 C ATOM 805 O ARG A 56 -11.934 -0.005 -2.408 1.00 0.00 O ATOM 806 CB ARG A 56 -11.350 2.907 -1.252 1.00 0.00 C ATOM 807 CG ARG A 56 -10.684 2.976 -2.627 1.00 0.00 C ATOM 808 CD ARG A 56 -11.395 3.985 -3.531 1.00 0.00 C ATOM 809 NE ARG A 56 -11.733 3.353 -4.827 1.00 0.00 N ATOM 810 CZ ARG A 56 -12.203 4.022 -5.889 1.00 0.00 C ATOM 811 NH1 ARG A 56 -12.393 5.347 -5.816 1.00 0.00 N ATOM 812 NH2 ARG A 56 -12.482 3.367 -7.024 1.00 0.00 N ATOM 0 H ARG A 56 -9.764 0.355 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.487 1.543 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.397 3.197 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.875 3.620 -0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.637 3.258 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.700 1.991 -3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.302 4.345 -3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.755 4.852 -3.696 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.600 2.346 -4.917 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.180 5.846 -4.952 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.751 5.856 -6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.337 2.359 -7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.840 3.876 -7.832 1.00 0.00 H new ATOM 826 N GLU A 57 -13.439 0.496 -0.796 1.00 0.00 N ATOM 827 CA GLU A 57 -14.488 -0.335 -1.362 1.00 0.00 C ATOM 828 C GLU A 57 -14.842 0.143 -2.771 1.00 0.00 C ATOM 829 O GLU A 57 -14.925 1.345 -3.021 1.00 0.00 O ATOM 830 CB GLU A 57 -15.724 -0.347 -0.460 1.00 0.00 C ATOM 831 CG GLU A 57 -16.363 -1.737 -0.424 1.00 0.00 C ATOM 832 CD GLU A 57 -17.890 -1.638 -0.399 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.382 -0.535 -0.075 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.531 -2.666 -0.705 1.00 0.00 O ATOM 0 H GLU A 57 -13.698 0.986 0.060 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.118 -1.358 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.445 -0.045 0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.450 0.382 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.046 -2.309 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.016 -2.278 0.456 1.00 0.00 H new ATOM 936 N TYR A 66 -9.414 6.945 -0.701 1.00 0.00 N ATOM 937 CA TYR A 66 -8.678 5.704 -0.532 1.00 0.00 C ATOM 938 C TYR A 66 -8.087 5.604 0.876 1.00 0.00 C ATOM 939 O TYR A 66 -7.277 6.439 1.274 1.00 0.00 O ATOM 940 CB TYR A 66 -7.537 5.749 -1.549 1.00 0.00 C ATOM 941 CG TYR A 66 -7.853 5.046 -2.871 1.00 0.00 C ATOM 942 CD1 TYR A 66 -8.572 5.705 -3.848 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.420 3.754 -3.087 1.00 0.00 C ATOM 944 CE1 TYR A 66 -8.870 5.045 -5.092 1.00 0.00 C ATOM 945 CE2 TYR A 66 -7.718 3.093 -4.331 1.00 0.00 C ATOM 946 CZ TYR A 66 -8.428 3.771 -5.273 1.00 0.00 C ATOM 947 OH TYR A 66 -8.709 3.147 -6.448 1.00 0.00 O ATOM 0 HA TYR A 66 -9.334 4.846 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.287 6.790 -1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.652 5.290 -1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.911 6.716 -3.679 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.857 3.238 -2.323 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.432 5.550 -5.864 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.385 2.082 -4.512 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.895 2.200 -6.279 1.00 0.00 H new ATOM 957 N SER A 67 -8.516 4.574 1.591 1.00 0.00 N ATOM 958 CA SER A 67 -8.039 4.354 2.946 1.00 0.00 C ATOM 959 C SER A 67 -6.531 4.097 2.935 1.00 0.00 C ATOM 960 O SER A 67 -6.082 3.030 2.516 1.00 0.00 O ATOM 961 CB SER A 67 -8.772 3.183 3.604 1.00 0.00 C ATOM 962 OG SER A 67 -10.187 3.312 3.498 1.00 0.00 O ATOM 0 H SER A 67 -9.188 3.883 1.258 1.00 0.00 H new ATOM 0 HA SER A 67 -8.244 5.251 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.457 2.250 3.137 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.491 3.124 4.656 1.00 0.00 H new ATOM 0 HG SER A 67 -10.485 2.946 2.639 1.00 0.00 H new ATOM 968 N ILE A 68 -5.790 5.092 3.400 1.00 0.00 N ATOM 969 CA ILE A 68 -4.341 4.986 3.449 1.00 0.00 C ATOM 970 C ILE A 68 -3.923 4.383 4.792 1.00 0.00 C ATOM 971 O ILE A 68 -4.591 4.589 5.803 1.00 0.00 O ATOM 972 CB ILE A 68 -3.696 6.342 3.156 1.00 0.00 C ATOM 973 CG1 ILE A 68 -3.957 6.773 1.711 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.202 6.321 3.486 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.412 5.739 0.724 1.00 0.00 C ATOM 0 H ILE A 68 -6.165 5.975 3.746 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.981 4.312 2.671 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.159 7.087 3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.028 6.902 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.489 7.740 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.768 7.297 3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.066 6.090 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.707 5.561 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.610 6.069 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.337 5.630 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.900 4.779 0.896 1.00 0.00 H new ATOM 987 N VAL A 69 -2.820 3.651 4.757 1.00 0.00 N ATOM 988 CA VAL A 69 -2.304 3.017 5.958 1.00 0.00 C ATOM 989 C VAL A 69 -0.775 3.034 5.923 1.00 0.00 C ATOM 990 O VAL A 69 -0.162 2.371 5.088 1.00 0.00 O ATOM 991 CB VAL A 69 -2.883 1.607 6.096 1.00 0.00 C ATOM 992 CG1 VAL A 69 -4.219 1.634 6.841 1.00 0.00 C ATOM 993 CG2 VAL A 69 -3.032 0.940 4.727 1.00 0.00 C ATOM 0 H VAL A 69 -2.269 3.483 3.915 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.615 3.570 6.844 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.183 1.013 6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.609 0.620 6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.072 2.050 7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.930 2.251 6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.445 -0.061 4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.701 1.533 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.056 0.872 4.247 1.00 0.00 H new ATOM 1003 N GLU A 70 -0.202 3.800 6.840 1.00 0.00 N ATOM 1004 CA GLU A 70 1.244 3.912 6.924 1.00 0.00 C ATOM 1005 C GLU A 70 1.826 2.719 7.685 1.00 0.00 C ATOM 1006 O GLU A 70 1.291 2.315 8.717 1.00 0.00 O ATOM 1007 CB GLU A 70 1.655 5.232 7.579 1.00 0.00 C ATOM 1008 CG GLU A 70 3.055 5.131 8.186 1.00 0.00 C ATOM 1009 CD GLU A 70 3.769 6.484 8.146 1.00 0.00 C ATOM 1010 OE1 GLU A 70 3.455 7.264 7.222 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.613 6.707 9.041 1.00 0.00 O ATOM 0 H GLU A 70 -0.713 4.349 7.531 1.00 0.00 H new ATOM 0 HA GLU A 70 1.648 3.905 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.633 6.032 6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.937 5.496 8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.984 4.784 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.640 4.391 7.640 1.00 0.00 H new ATOM 1018 N MET A 71 2.913 2.187 7.147 1.00 0.00 N ATOM 1019 CA MET A 71 3.573 1.048 7.762 1.00 0.00 C ATOM 1020 C MET A 71 5.063 1.024 7.415 1.00 0.00 C ATOM 1021 O MET A 71 5.468 1.526 6.368 1.00 0.00 O ATOM 1022 CB MET A 71 2.915 -0.246 7.279 1.00 0.00 C ATOM 1023 CG MET A 71 2.756 -0.245 5.757 1.00 0.00 C ATOM 1024 SD MET A 71 2.842 -1.915 5.133 1.00 0.00 S ATOM 1025 CE MET A 71 4.574 -2.256 5.398 1.00 0.00 C ATOM 0 H MET A 71 3.354 2.524 6.291 1.00 0.00 H new ATOM 0 HA MET A 71 3.473 1.135 8.844 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.518 -1.101 7.585 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.939 -0.360 7.750 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.802 0.206 5.483 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.538 0.363 5.302 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.689 -3.261 5.805 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.108 -2.185 4.450 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.984 -1.531 6.101 1.00 0.00 H new ATOM 1035 N LYS A 72 5.838 0.435 8.313 1.00 0.00 N ATOM 1036 CA LYS A 72 7.274 0.339 8.115 1.00 0.00 C ATOM 1037 C LYS A 72 7.584 -0.880 7.243 1.00 0.00 C ATOM 1038 O LYS A 72 6.858 -1.872 7.277 1.00 0.00 O ATOM 1039 CB LYS A 72 8.002 0.333 9.461 1.00 0.00 C ATOM 1040 CG LYS A 72 7.663 -0.926 10.262 1.00 0.00 C ATOM 1041 CD LYS A 72 8.935 -1.639 10.726 1.00 0.00 C ATOM 1042 CE LYS A 72 9.072 -1.581 12.248 1.00 0.00 C ATOM 1043 NZ LYS A 72 9.618 -2.855 12.769 1.00 0.00 N ATOM 0 H LYS A 72 5.498 0.019 9.180 1.00 0.00 H new ATOM 0 HA LYS A 72 7.644 1.215 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.078 0.385 9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.724 1.218 10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.055 -0.659 11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.066 -1.601 9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.913 -2.678 10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.806 -1.176 10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.727 -0.756 12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.100 -1.384 12.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.704 -2.798 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.978 -3.636 12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.555 -3.027 12.352 1.00 0.00 H new ATOM 1057 N ALA A 73 8.663 -0.765 6.483 1.00 0.00 N ATOM 1058 CA ALA A 73 9.077 -1.845 5.604 1.00 0.00 C ATOM 1059 C ALA A 73 9.892 -2.863 6.403 1.00 0.00 C ATOM 1060 O ALA A 73 10.738 -2.488 7.214 1.00 0.00 O ATOM 1061 CB ALA A 73 9.861 -1.269 4.422 1.00 0.00 C ATOM 0 H ALA A 73 9.263 0.059 6.458 1.00 0.00 H new ATOM 0 HA ALA A 73 8.209 -2.364 5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.172 -2.079 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.228 -0.574 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.742 -0.743 4.791 1.00 0.00 H new ATOM 1067 N THR A 74 9.609 -4.132 6.147 1.00 0.00 N ATOM 1068 CA THR A 74 10.305 -5.207 6.833 1.00 0.00 C ATOM 1069 C THR A 74 11.534 -5.643 6.033 1.00 0.00 C ATOM 1070 O THR A 74 11.956 -6.796 6.114 1.00 0.00 O ATOM 1071 CB THR A 74 9.305 -6.339 7.075 1.00 0.00 C ATOM 1072 OG1 THR A 74 8.919 -6.748 5.766 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.004 -5.845 7.710 1.00 0.00 C ATOM 0 H THR A 74 8.907 -4.440 5.474 1.00 0.00 H new ATOM 0 HA THR A 74 10.686 -4.878 7.800 1.00 0.00 H new ATOM 0 HB THR A 74 9.759 -7.093 7.718 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.449 -6.261 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.329 -6.688 7.860 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.222 -5.379 8.671 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.532 -5.116 7.052 1.00 0.00 H new ATOM 1081 N GLY A 75 12.074 -4.698 5.277 1.00 0.00 N ATOM 1082 CA GLY A 75 13.246 -4.970 4.463 1.00 0.00 C ATOM 1083 C GLY A 75 12.989 -4.615 2.997 1.00 0.00 C ATOM 1084 O GLY A 75 12.351 -3.606 2.701 1.00 0.00 O ATOM 0 H GLY A 75 11.721 -3.743 5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.094 -4.396 4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.513 -6.024 4.544 1.00 0.00 H new ATOM 1088 N ASP A 76 13.500 -5.465 2.117 1.00 0.00 N ATOM 1089 CA ASP A 76 13.333 -5.254 0.689 1.00 0.00 C ATOM 1090 C ASP A 76 11.886 -5.559 0.298 1.00 0.00 C ATOM 1091 O ASP A 76 11.401 -5.077 -0.724 1.00 0.00 O ATOM 1092 CB ASP A 76 14.247 -6.181 -0.115 1.00 0.00 C ATOM 1093 CG ASP A 76 15.692 -6.255 0.381 1.00 0.00 C ATOM 1094 OD1 ASP A 76 16.110 -5.289 1.056 1.00 0.00 O ATOM 1095 OD2 ASP A 76 16.347 -7.274 0.073 1.00 0.00 O ATOM 0 H ASP A 76 14.029 -6.301 2.366 1.00 0.00 H new ATOM 0 HA ASP A 76 13.588 -4.217 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.823 -7.185 -0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.252 -5.850 -1.154 1.00 0.00 H new ATOM 1100 N SER A 77 11.238 -6.359 1.132 1.00 0.00 N ATOM 1101 CA SER A 77 9.856 -6.735 0.886 1.00 0.00 C ATOM 1102 C SER A 77 8.971 -6.262 2.042 1.00 0.00 C ATOM 1103 O SER A 77 9.442 -6.116 3.169 1.00 0.00 O ATOM 1104 CB SER A 77 9.721 -8.247 0.698 1.00 0.00 C ATOM 1105 OG SER A 77 9.928 -8.957 1.916 1.00 0.00 O ATOM 0 H SER A 77 11.644 -6.757 1.979 1.00 0.00 H new ATOM 0 HA SER A 77 9.529 -6.252 -0.035 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.729 -8.477 0.309 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.442 -8.586 -0.046 1.00 0.00 H new ATOM 0 HG SER A 77 9.832 -9.919 1.754 1.00 0.00 H new ATOM 1111 N GLU A 78 7.706 -6.037 1.722 1.00 0.00 N ATOM 1112 CA GLU A 78 6.751 -5.584 2.720 1.00 0.00 C ATOM 1113 C GLU A 78 5.361 -6.147 2.418 1.00 0.00 C ATOM 1114 O GLU A 78 5.061 -6.491 1.276 1.00 0.00 O ATOM 1115 CB GLU A 78 6.720 -4.056 2.795 1.00 0.00 C ATOM 1116 CG GLU A 78 8.137 -3.479 2.823 1.00 0.00 C ATOM 1117 CD GLU A 78 8.782 -3.543 1.438 1.00 0.00 C ATOM 1118 OE1 GLU A 78 8.017 -3.706 0.462 1.00 0.00 O ATOM 1119 OE2 GLU A 78 10.025 -3.426 1.385 1.00 0.00 O ATOM 0 H GLU A 78 7.319 -6.160 0.786 1.00 0.00 H new ATOM 0 HA GLU A 78 7.068 -5.956 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.178 -3.657 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.178 -3.743 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.106 -2.445 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.745 -4.034 3.537 1.00 0.00 H new ATOM 1126 N VAL A 79 4.549 -6.223 3.463 1.00 0.00 N ATOM 1127 CA VAL A 79 3.197 -6.738 3.324 1.00 0.00 C ATOM 1128 C VAL A 79 2.298 -6.088 4.377 1.00 0.00 C ATOM 1129 O VAL A 79 2.756 -5.751 5.468 1.00 0.00 O ATOM 1130 CB VAL A 79 3.208 -8.266 3.408 1.00 0.00 C ATOM 1131 CG1 VAL A 79 3.760 -8.737 4.754 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.812 -8.839 3.156 1.00 0.00 C ATOM 0 H VAL A 79 4.801 -5.937 4.409 1.00 0.00 H new ATOM 0 HA VAL A 79 2.789 -6.482 2.346 1.00 0.00 H new ATOM 0 HB VAL A 79 3.869 -8.640 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.757 -9.826 4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.780 -8.373 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.137 -8.348 5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.848 -9.926 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.120 -8.453 3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.472 -8.546 2.162 1.00 0.00 H new ATOM 1142 N TYR A 80 1.033 -5.931 4.014 1.00 0.00 N ATOM 1143 CA TYR A 80 0.065 -5.328 4.913 1.00 0.00 C ATOM 1144 C TYR A 80 -1.322 -5.944 4.721 1.00 0.00 C ATOM 1145 O TYR A 80 -1.781 -6.108 3.592 1.00 0.00 O ATOM 1146 CB TYR A 80 0.008 -3.845 4.538 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.569 -2.948 5.635 1.00 0.00 C ATOM 1148 CD1 TYR A 80 0.206 -2.603 6.723 1.00 0.00 C ATOM 1149 CD2 TYR A 80 -1.865 -2.483 5.536 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -0.337 -1.759 7.755 1.00 0.00 C ATOM 1151 CE2 TYR A 80 -2.408 -1.638 6.568 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.617 -1.318 7.627 1.00 0.00 C ATOM 1153 OH TYR A 80 -2.130 -0.520 8.602 1.00 0.00 O ATOM 0 H TYR A 80 0.657 -6.212 3.108 1.00 0.00 H new ATOM 0 HA TYR A 80 0.356 -5.486 5.951 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.014 -3.503 4.295 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.594 -3.732 3.636 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.220 -2.966 6.800 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.472 -2.753 4.684 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.259 -1.482 8.612 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.420 -1.267 6.502 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.053 -0.281 8.377 1.00 0.00 H new ATOM 1163 N THR A 81 -1.950 -6.270 5.841 1.00 0.00 N ATOM 1164 CA THR A 81 -3.275 -6.865 5.810 1.00 0.00 C ATOM 1165 C THR A 81 -4.337 -5.822 6.163 1.00 0.00 C ATOM 1166 O THR A 81 -4.434 -5.394 7.312 1.00 0.00 O ATOM 1167 CB THR A 81 -3.273 -8.072 6.750 1.00 0.00 C ATOM 1168 OG1 THR A 81 -2.650 -9.104 5.989 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.681 -8.607 7.019 1.00 0.00 C ATOM 0 H THR A 81 -1.566 -6.133 6.776 1.00 0.00 H new ATOM 0 HA THR A 81 -3.528 -7.214 4.809 1.00 0.00 H new ATOM 0 HB THR A 81 -2.803 -7.796 7.694 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.606 -9.924 6.524 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.623 -9.463 7.691 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.286 -7.825 7.478 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.139 -8.915 6.079 1.00 0.00 H new ATOM 1177 N LEU A 82 -5.106 -5.442 5.153 1.00 0.00 N ATOM 1178 CA LEU A 82 -6.157 -4.457 5.343 1.00 0.00 C ATOM 1179 C LEU A 82 -7.370 -5.129 5.990 1.00 0.00 C ATOM 1180 O LEU A 82 -8.086 -5.886 5.337 1.00 0.00 O ATOM 1181 CB LEU A 82 -6.476 -3.753 4.022 1.00 0.00 C ATOM 1182 CG LEU A 82 -5.341 -2.929 3.410 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.736 -1.977 4.443 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.284 -3.837 2.778 1.00 0.00 C ATOM 0 H LEU A 82 -5.022 -5.798 4.201 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.826 -3.673 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.783 -4.506 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.331 -3.096 4.181 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.757 -2.315 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.932 -1.403 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.506 -1.296 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.338 -2.552 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.489 -3.227 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.867 -4.495 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.743 -4.437 1.992 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.562 -4.827 7.266 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.676 -5.393 8.008 1.00 0.00 C ATOM 1198 C ASP A 83 -9.861 -4.427 7.957 1.00 0.00 C ATOM 1199 O ASP A 83 -9.687 -3.240 7.684 1.00 0.00 O ATOM 1200 CB ASP A 83 -8.305 -5.609 9.477 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.329 -4.583 10.055 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -6.171 -4.574 9.585 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -7.763 -3.830 10.954 1.00 0.00 O ATOM 0 H ASP A 83 -6.966 -4.198 7.804 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.931 -6.351 7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.218 -5.595 10.072 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.870 -6.603 9.584 1.00 0.00 H new ATOM 1208 N ASN A 84 -11.039 -4.971 8.223 1.00 0.00 N ATOM 1209 CA ASN A 84 -12.253 -4.172 8.210 1.00 0.00 C ATOM 1210 C ASN A 84 -12.732 -4.004 6.767 1.00 0.00 C ATOM 1211 O ASN A 84 -12.917 -2.882 6.297 1.00 0.00 O ATOM 1212 CB ASN A 84 -12.001 -2.779 8.790 1.00 0.00 C ATOM 1213 CG ASN A 84 -11.073 -2.850 10.005 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -11.129 -3.766 10.808 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.220 -1.834 10.094 1.00 0.00 N ATOM 0 H ASN A 84 -11.179 -5.956 8.449 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.001 -4.685 8.815 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.559 -2.138 8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.949 -2.324 9.078 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.559 -1.789 10.870 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.226 -1.099 9.386 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.921 -5.135 6.104 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.375 -5.128 4.724 1.00 0.00 C ATOM 1224 C LEU A 85 -14.719 -5.853 4.630 1.00 0.00 C ATOM 1225 O LEU A 85 -15.177 -6.447 5.605 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.300 -5.705 3.802 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.880 -5.177 4.016 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -9.878 -5.924 3.133 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.819 -3.664 3.796 1.00 0.00 C ATOM 0 H LEU A 85 -12.768 -6.064 6.497 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.539 -4.106 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.286 -6.788 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.589 -5.506 2.770 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.599 -5.364 5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.877 -5.529 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.897 -6.986 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.146 -5.790 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.799 -3.314 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.128 -3.432 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.486 -3.167 4.500 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.314 -5.780 3.448 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.596 -6.422 3.215 1.00 0.00 C ATOM 1243 C LYS A 86 -16.364 -7.873 2.788 1.00 0.00 C ATOM 1244 O LYS A 86 -15.289 -8.217 2.301 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.426 -5.613 2.216 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.715 -6.351 1.850 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.711 -5.411 1.168 1.00 0.00 C ATOM 1248 CE LYS A 86 -21.149 -5.885 1.385 1.00 0.00 C ATOM 1249 NZ LYS A 86 -21.671 -6.535 0.162 1.00 0.00 N ATOM 0 H LYS A 86 -14.932 -5.286 2.642 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.182 -6.449 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.669 -4.640 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.840 -5.429 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.485 -7.185 1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.165 -6.773 2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.593 -4.402 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.498 -5.362 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.185 -6.585 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.781 -5.038 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.648 -6.851 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.655 -5.856 -0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.078 -7.355 -0.075 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.392 -8.686 2.987 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.314 -10.092 2.630 1.00 0.00 C ATOM 1265 C LYS A 87 -17.801 -10.276 1.191 1.00 0.00 C ATOM 1266 O LYS A 87 -18.892 -9.830 0.840 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.070 -10.947 3.649 1.00 0.00 C ATOM 1268 CG LYS A 87 -17.413 -10.864 5.028 1.00 0.00 C ATOM 1269 CD LYS A 87 -18.467 -10.871 6.138 1.00 0.00 C ATOM 1270 CE LYS A 87 -18.776 -9.448 6.608 1.00 0.00 C ATOM 1271 NZ LYS A 87 -20.111 -9.023 6.131 1.00 0.00 N ATOM 0 H LYS A 87 -18.283 -8.397 3.391 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.280 -10.437 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.105 -10.611 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.092 -11.984 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.733 -11.705 5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.814 -9.956 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.379 -11.344 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.111 -11.467 6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.741 -9.403 7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.015 -8.762 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.305 -8.055 6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.132 -9.047 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -20.835 -9.667 6.507 1.00 0.00 H new ATOM 1285 N PHE A 88 -16.968 -10.933 0.397 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.300 -11.180 -0.995 1.00 0.00 C ATOM 1287 C PHE A 88 -17.564 -9.869 -1.738 1.00 0.00 C ATOM 1288 O PHE A 88 -18.525 -9.765 -2.499 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.576 -12.025 -1.007 1.00 0.00 C ATOM 1290 CG PHE A 88 -18.998 -12.494 -2.401 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -18.055 -12.770 -3.341 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -20.318 -12.635 -2.700 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -18.448 -13.205 -4.635 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -20.710 -13.070 -3.993 1.00 0.00 C ATOM 1295 CZ PHE A 88 -19.767 -13.346 -4.933 1.00 0.00 C ATOM 0 H PHE A 88 -16.064 -11.302 0.692 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.471 -11.686 -1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.428 -12.897 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.388 -11.445 -0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.007 -12.659 -3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -21.067 -12.416 -1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -17.699 -13.424 -5.382 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -21.758 -13.182 -4.230 1.00 0.00 H new ATOM 0 HZ PHE A 88 -20.066 -13.677 -5.917 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.694 -8.901 -1.491 1.00 0.00 N ATOM 1306 CA ALA A 89 -16.821 -7.600 -2.127 1.00 0.00 C ATOM 1307 C ALA A 89 -15.510 -7.253 -2.834 1.00 0.00 C ATOM 1308 O ALA A 89 -14.429 -7.561 -2.332 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.214 -6.556 -1.080 1.00 0.00 C ATOM 0 H ALA A 89 -15.898 -8.991 -0.859 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.608 -7.616 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.309 -5.580 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.167 -6.834 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.447 -6.509 -0.307 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.647 -6.615 -3.987 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.486 -6.222 -4.768 1.00 0.00 C ATOM 1317 C GLN A 90 -13.801 -5.014 -4.128 1.00 0.00 C ATOM 1318 O GLN A 90 -14.462 -4.047 -3.752 1.00 0.00 O ATOM 1319 CB GLN A 90 -14.875 -5.928 -6.218 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.666 -5.449 -7.024 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.063 -4.342 -8.002 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -15.120 -4.365 -8.611 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -13.158 -3.374 -8.119 1.00 0.00 N ATOM 0 H GLN A 90 -16.544 -6.360 -4.399 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.780 -7.052 -4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.289 -6.826 -6.676 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.656 -5.168 -6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.895 -5.081 -6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.235 -6.287 -7.573 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -12.293 -3.416 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.329 -2.589 -8.748 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.483 -5.108 -4.023 1.00 0.00 N ATOM 1333 CA TYR A 91 -11.701 -4.034 -3.435 1.00 0.00 C ATOM 1334 C TYR A 91 -10.446 -3.752 -4.265 1.00 0.00 C ATOM 1335 O TYR A 91 -9.679 -4.665 -4.567 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.281 -4.528 -2.050 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.314 -4.260 -0.954 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.370 -3.023 -0.345 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.191 -5.256 -0.574 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -13.343 -2.771 0.686 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.164 -5.004 0.457 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.192 -3.774 1.036 1.00 0.00 C ATOM 1343 OH TYR A 91 -15.110 -3.536 2.011 1.00 0.00 O ATOM 0 H TYR A 91 -11.938 -5.911 -4.335 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.284 -3.114 -3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.090 -5.600 -2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.341 -4.049 -1.774 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.684 -2.244 -0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.147 -6.224 -1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.397 -1.807 1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -14.856 -5.775 0.764 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.044 -2.602 2.301 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.276 -2.484 -4.610 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.128 -2.070 -5.398 1.00 0.00 C ATOM 1355 C GLY A 92 -8.196 -1.173 -4.581 1.00 0.00 C ATOM 1356 O GLY A 92 -8.457 0.018 -4.423 1.00 0.00 O ATOM 0 H GLY A 92 -10.915 -1.730 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.583 -2.949 -5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.466 -1.536 -6.286 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.129 -1.781 -4.084 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.157 -1.052 -3.287 1.00 0.00 C ATOM 1362 C VAL A 93 -4.946 -0.707 -4.157 1.00 0.00 C ATOM 1363 O VAL A 93 -4.759 -1.288 -5.225 1.00 0.00 O ATOM 1364 CB VAL A 93 -5.788 -1.862 -2.042 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -6.970 -2.710 -1.569 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.557 -2.733 -2.300 1.00 0.00 C ATOM 0 H VAL A 93 -6.916 -2.770 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.581 -0.112 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.541 -1.159 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.681 -3.275 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.810 -2.060 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.262 -3.400 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.316 -3.298 -1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.765 -3.424 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.712 -2.099 -2.567 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.155 0.236 -3.667 1.00 0.00 N ATOM 1377 CA VAL A 94 -2.967 0.664 -4.386 1.00 0.00 C ATOM 1378 C VAL A 94 -1.808 0.823 -3.400 1.00 0.00 C ATOM 1379 O VAL A 94 -1.943 1.499 -2.381 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.264 1.944 -5.171 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -3.812 1.620 -6.562 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -4.227 2.849 -4.399 1.00 0.00 C ATOM 0 H VAL A 94 -4.313 0.716 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.671 -0.089 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.326 2.484 -5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.014 2.547 -7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.078 1.034 -7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.735 1.048 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.422 3.751 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.164 2.320 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.782 3.121 -3.442 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.695 0.188 -3.737 1.00 0.00 N ATOM 1393 CA VAL A 95 0.487 0.250 -2.894 1.00 0.00 C ATOM 1394 C VAL A 95 1.447 1.305 -3.447 1.00 0.00 C ATOM 1395 O VAL A 95 1.508 1.521 -4.656 1.00 0.00 O ATOM 1396 CB VAL A 95 1.122 -1.137 -2.781 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.182 -1.166 -1.678 1.00 0.00 C ATOM 1398 CG2 VAL A 95 0.057 -2.210 -2.548 1.00 0.00 C ATOM 0 H VAL A 95 -0.587 -0.372 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 95 0.220 0.553 -1.882 1.00 0.00 H new ATOM 0 HB VAL A 95 1.617 -1.357 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.618 -2.163 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.964 -0.441 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.721 -0.914 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.535 -3.187 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.480 -1.995 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.644 -2.214 -3.382 1.00 0.00 H new ATOM 1408 N GLN A 96 2.174 1.933 -2.535 1.00 0.00 N ATOM 1409 CA GLN A 96 3.129 2.960 -2.916 1.00 0.00 C ATOM 1410 C GLN A 96 4.251 3.052 -1.880 1.00 0.00 C ATOM 1411 O GLN A 96 4.001 2.961 -0.679 1.00 0.00 O ATOM 1412 CB GLN A 96 2.437 4.313 -3.096 1.00 0.00 C ATOM 1413 CG GLN A 96 1.263 4.462 -2.126 1.00 0.00 C ATOM 1414 CD GLN A 96 0.463 5.731 -2.425 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.738 5.702 -2.640 1.00 0.00 O ATOM 1416 NE2 GLN A 96 1.192 6.843 -2.426 1.00 0.00 N ATOM 0 H GLN A 96 2.121 1.751 -1.533 1.00 0.00 H new ATOM 0 HA GLN A 96 3.568 2.683 -3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.154 5.117 -2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.081 4.410 -4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.612 3.591 -2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.635 4.495 -1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.193 6.796 -2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.750 7.743 -2.615 1.00 0.00 H new ATOM 1425 N ALA A 97 5.464 3.231 -2.383 1.00 0.00 N ATOM 1426 CA ALA A 97 6.625 3.336 -1.516 1.00 0.00 C ATOM 1427 C ALA A 97 6.865 4.807 -1.168 1.00 0.00 C ATOM 1428 O ALA A 97 6.838 5.669 -2.045 1.00 0.00 O ATOM 1429 CB ALA A 97 7.834 2.695 -2.202 1.00 0.00 C ATOM 0 H ALA A 97 5.668 3.306 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 97 6.457 2.799 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.705 2.774 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.624 1.644 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 97 8.035 3.210 -3.141 1.00 0.00 H new ATOM 1435 N PHE A 98 7.094 5.048 0.115 1.00 0.00 N ATOM 1436 CA PHE A 98 7.338 6.399 0.590 1.00 0.00 C ATOM 1437 C PHE A 98 8.607 6.460 1.443 1.00 0.00 C ATOM 1438 O PHE A 98 8.843 5.584 2.274 1.00 0.00 O ATOM 1439 CB PHE A 98 6.138 6.794 1.453 1.00 0.00 C ATOM 1440 CG PHE A 98 6.158 6.190 2.859 1.00 0.00 C ATOM 1441 CD1 PHE A 98 7.072 6.619 3.771 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.262 5.224 3.197 1.00 0.00 C ATOM 1443 CE1 PHE A 98 7.090 6.058 5.075 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.281 4.663 4.501 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.194 5.092 5.413 1.00 0.00 C ATOM 0 H PHE A 98 7.116 4.330 0.840 1.00 0.00 H new ATOM 0 HA PHE A 98 7.469 7.073 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.105 7.880 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.223 6.484 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.784 7.386 3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.536 4.884 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.815 6.398 5.799 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.570 3.895 4.769 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.208 4.666 6.405 1.00 0.00 H new ATOM 1455 N ASN A 99 9.391 7.502 1.207 1.00 0.00 N ATOM 1456 CA ASN A 99 10.629 7.688 1.944 1.00 0.00 C ATOM 1457 C ASN A 99 10.618 9.064 2.613 1.00 0.00 C ATOM 1458 O ASN A 99 9.668 9.829 2.452 1.00 0.00 O ATOM 1459 CB ASN A 99 11.840 7.626 1.010 1.00 0.00 C ATOM 1460 CG ASN A 99 11.592 8.437 -0.264 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.993 9.500 -0.247 1.00 0.00 O ATOM 1462 ND2 ASN A 99 12.085 7.878 -1.365 1.00 0.00 N ATOM 0 H ASN A 99 9.193 8.226 0.516 1.00 0.00 H new ATOM 0 HA ASN A 99 10.703 6.892 2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.721 8.011 1.525 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.050 6.589 0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.972 8.341 -2.267 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.576 6.986 -1.308 1.00 0.00 H new ATOM 1469 N ARG A 100 11.686 9.338 3.348 1.00 0.00 N ATOM 1470 CA ARG A 100 11.811 10.608 4.042 1.00 0.00 C ATOM 1471 C ARG A 100 11.887 11.758 3.035 1.00 0.00 C ATOM 1472 O ARG A 100 11.754 12.923 3.407 1.00 0.00 O ATOM 1473 CB ARG A 100 13.058 10.632 4.928 1.00 0.00 C ATOM 1474 CG ARG A 100 12.784 9.966 6.278 1.00 0.00 C ATOM 1475 CD ARG A 100 13.779 10.444 7.337 1.00 0.00 C ATOM 1476 NE ARG A 100 13.428 9.873 8.657 1.00 0.00 N ATOM 1477 CZ ARG A 100 12.414 10.308 9.418 1.00 0.00 C ATOM 1478 NH1 ARG A 100 11.646 11.322 8.996 1.00 0.00 N ATOM 1479 NH2 ARG A 100 12.169 9.730 10.601 1.00 0.00 N ATOM 0 H ARG A 100 12.473 8.702 3.478 1.00 0.00 H new ATOM 0 HA ARG A 100 10.930 10.729 4.672 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.876 10.118 4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.377 11.662 5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.768 10.193 6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.851 8.883 6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.790 10.145 7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.772 11.533 7.389 1.00 0.00 H new ATOM 0 HE ARG A 100 13.993 9.100 9.009 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.833 11.763 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.874 11.653 9.575 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.754 8.959 10.923 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.397 10.061 11.180 1.00 0.00 H new ATOM 1493 N ALA A 101 12.101 11.390 1.781 1.00 0.00 N ATOM 1494 CA ALA A 101 12.196 12.376 0.718 1.00 0.00 C ATOM 1495 C ALA A 101 10.794 12.692 0.194 1.00 0.00 C ATOM 1496 O ALA A 101 10.585 13.719 -0.451 1.00 0.00 O ATOM 1497 CB ALA A 101 13.124 11.854 -0.381 1.00 0.00 C ATOM 0 H ALA A 101 12.211 10.423 1.477 1.00 0.00 H new ATOM 0 HA ALA A 101 12.625 13.305 1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.195 12.594 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.115 11.672 0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.724 10.924 -0.784 1.00 0.00 H new ATOM 1503 N GLY A 102 9.869 11.792 0.491 1.00 0.00 N ATOM 1504 CA GLY A 102 8.492 11.963 0.059 1.00 0.00 C ATOM 1505 C GLY A 102 7.881 10.626 -0.366 1.00 0.00 C ATOM 1506 O GLY A 102 8.469 9.570 -0.138 1.00 0.00 O ATOM 0 H GLY A 102 10.046 10.942 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.904 12.395 0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.453 12.666 -0.773 1.00 0.00 H new ATOM 1510 N THR A 103 6.708 10.715 -0.975 1.00 0.00 N ATOM 1511 CA THR A 103 6.010 9.525 -1.434 1.00 0.00 C ATOM 1512 C THR A 103 6.055 9.436 -2.960 1.00 0.00 C ATOM 1513 O THR A 103 6.168 10.454 -3.642 1.00 0.00 O ATOM 1514 CB THR A 103 4.589 9.563 -0.868 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.778 9.611 0.543 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.833 8.253 -1.099 1.00 0.00 C ATOM 0 H THR A 103 6.223 11.593 -1.162 1.00 0.00 H new ATOM 0 HA THR A 103 6.494 8.618 -1.073 1.00 0.00 H new ATOM 0 HB THR A 103 4.038 10.386 -1.324 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.906 9.640 0.989 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.830 8.332 -0.679 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.763 8.057 -2.169 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.366 7.435 -0.614 1.00 0.00 H new ATOM 1524 N GLY A 104 5.964 8.210 -3.453 1.00 0.00 N ATOM 1525 CA GLY A 104 5.992 7.975 -4.886 1.00 0.00 C ATOM 1526 C GLY A 104 4.585 7.716 -5.427 1.00 0.00 C ATOM 1527 O GLY A 104 3.606 7.800 -4.687 1.00 0.00 O ATOM 0 H GLY A 104 5.871 7.368 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.426 8.838 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.633 7.121 -5.106 1.00 0.00 H new ATOM 1531 N PRO A 105 4.526 7.398 -6.748 1.00 0.00 N ATOM 1532 CA PRO A 105 3.255 7.127 -7.397 1.00 0.00 C ATOM 1533 C PRO A 105 2.723 5.746 -7.006 1.00 0.00 C ATOM 1534 O PRO A 105 3.490 4.874 -6.600 1.00 0.00 O ATOM 1535 CB PRO A 105 3.537 7.254 -8.885 1.00 0.00 C ATOM 1536 CG PRO A 105 5.045 7.134 -9.035 1.00 0.00 C ATOM 1537 CD PRO A 105 5.664 7.289 -7.656 1.00 0.00 C ATOM 0 HA PRO A 105 2.472 7.821 -7.093 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.025 6.473 -9.448 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.181 8.210 -9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.310 6.169 -9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.424 7.900 -9.712 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.290 6.433 -7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.298 8.174 -7.604 1.00 0.00 H new ATOM 1545 N SER A 106 1.414 5.591 -7.142 1.00 0.00 N ATOM 1546 CA SER A 106 0.772 4.331 -6.808 1.00 0.00 C ATOM 1547 C SER A 106 0.904 3.350 -7.975 1.00 0.00 C ATOM 1548 O SER A 106 1.150 3.759 -9.108 1.00 0.00 O ATOM 1549 CB SER A 106 -0.703 4.542 -6.456 1.00 0.00 C ATOM 1550 OG SER A 106 -1.315 5.523 -7.288 1.00 0.00 O ATOM 0 H SER A 106 0.781 6.317 -7.479 1.00 0.00 H new ATOM 0 HA SER A 106 1.271 3.914 -5.933 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.238 3.598 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.787 4.848 -5.413 1.00 0.00 H new ATOM 0 HG SER A 106 -2.256 5.627 -7.033 1.00 0.00 H new ATOM 1556 N SER A 107 0.735 2.075 -7.656 1.00 0.00 N ATOM 1557 CA SER A 107 0.833 1.033 -8.664 1.00 0.00 C ATOM 1558 C SER A 107 -0.543 0.771 -9.281 1.00 0.00 C ATOM 1559 O SER A 107 -1.537 1.365 -8.865 1.00 0.00 O ATOM 1560 CB SER A 107 1.402 -0.256 -8.069 1.00 0.00 C ATOM 1561 OG SER A 107 0.385 -1.223 -7.819 1.00 0.00 O ATOM 0 H SER A 107 0.531 1.740 -6.714 1.00 0.00 H new ATOM 0 HA SER A 107 1.515 1.373 -9.443 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.141 -0.675 -8.752 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.922 -0.027 -7.138 1.00 0.00 H new ATOM 0 HG SER A 107 0.649 -2.083 -8.207 1.00 0.00 H new ATOM 1567 N SER A 108 -0.556 -0.118 -10.263 1.00 0.00 N ATOM 1568 CA SER A 108 -1.793 -0.465 -10.942 1.00 0.00 C ATOM 1569 C SER A 108 -2.788 -1.059 -9.943 1.00 0.00 C ATOM 1570 O SER A 108 -2.523 -2.097 -9.340 1.00 0.00 O ATOM 1571 CB SER A 108 -1.536 -1.450 -12.084 1.00 0.00 C ATOM 1572 OG SER A 108 -0.214 -1.980 -12.046 1.00 0.00 O ATOM 0 H SER A 108 0.270 -0.609 -10.605 1.00 0.00 H new ATOM 0 HA SER A 108 -2.216 0.444 -11.370 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.256 -2.267 -12.027 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.698 -0.949 -13.038 1.00 0.00 H new ATOM 0 HG SER A 108 -0.091 -2.606 -12.790 1.00 0.00 H new ATOM 1578 N GLU A 109 -3.913 -0.373 -9.799 1.00 0.00 N ATOM 1579 CA GLU A 109 -4.949 -0.819 -8.884 1.00 0.00 C ATOM 1580 C GLU A 109 -5.533 -2.153 -9.353 1.00 0.00 C ATOM 1581 O GLU A 109 -6.068 -2.247 -10.457 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.045 0.239 -8.739 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.116 -0.214 -7.745 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.499 0.294 -8.159 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -8.717 0.410 -9.384 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -9.306 0.554 -7.241 1.00 0.00 O ATOM 0 H GLU A 109 -4.129 0.488 -10.301 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.500 -0.967 -7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.606 1.179 -8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.502 0.430 -9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.127 -1.302 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -6.872 0.155 -6.749 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.412 -3.152 -8.491 1.00 0.00 N ATOM 1594 CA ILE A 110 -5.921 -4.476 -8.803 1.00 0.00 C ATOM 1595 C ILE A 110 -7.274 -4.673 -8.117 1.00 0.00 C ATOM 1596 O ILE A 110 -7.905 -3.706 -7.693 1.00 0.00 O ATOM 1597 CB ILE A 110 -4.888 -5.546 -8.443 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.499 -4.929 -8.265 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -4.885 -6.675 -9.475 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -3.277 -4.488 -6.817 1.00 0.00 C ATOM 0 H ILE A 110 -4.968 -3.071 -7.576 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.089 -4.576 -9.875 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.171 -5.985 -7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.736 -5.654 -8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.389 -4.073 -8.931 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.142 -7.422 -9.195 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.871 -7.139 -9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.640 -6.270 -10.457 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.283 -4.053 -6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.027 -3.746 -6.544 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.363 -5.351 -6.157 1.00 0.00 H new ATOM 1612 N ASN A 111 -7.680 -5.931 -8.029 1.00 0.00 N ATOM 1613 CA ASN A 111 -8.947 -6.266 -7.401 1.00 0.00 C ATOM 1614 C ASN A 111 -8.861 -7.675 -6.811 1.00 0.00 C ATOM 1615 O ASN A 111 -8.315 -8.582 -7.436 1.00 0.00 O ATOM 1616 CB ASN A 111 -10.088 -6.250 -8.420 1.00 0.00 C ATOM 1617 CG ASN A 111 -9.748 -7.112 -9.638 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -8.681 -7.016 -10.220 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.714 -7.957 -9.989 1.00 0.00 N ATOM 0 H ASN A 111 -7.154 -6.731 -8.382 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.145 -5.526 -6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -11.002 -6.618 -7.954 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.282 -5.226 -8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.584 -8.576 -10.790 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.584 -7.986 -9.457 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.410 -7.814 -5.612 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.402 -9.097 -4.930 1.00 0.00 C ATOM 1628 C ALA A 112 -10.611 -9.180 -3.996 1.00 0.00 C ATOM 1629 O ALA A 112 -10.587 -8.631 -2.895 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.077 -9.272 -4.186 1.00 0.00 C ATOM 0 H ALA A 112 -9.863 -7.059 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.483 -9.914 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.071 -10.235 -3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.252 -9.234 -4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.962 -8.472 -3.455 1.00 0.00 H new ATOM 1636 N THR A 113 -11.638 -9.870 -4.469 1.00 0.00 N ATOM 1637 CA THR A 113 -12.853 -10.032 -3.689 1.00 0.00 C ATOM 1638 C THR A 113 -12.592 -10.922 -2.472 1.00 0.00 C ATOM 1639 O THR A 113 -12.063 -12.024 -2.608 1.00 0.00 O ATOM 1640 CB THR A 113 -13.942 -10.575 -4.617 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.181 -9.509 -5.532 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.282 -10.760 -3.902 1.00 0.00 C ATOM 0 H THR A 113 -11.654 -10.323 -5.383 1.00 0.00 H new ATOM 0 HA THR A 113 -13.194 -9.078 -3.287 1.00 0.00 H new ATOM 0 HB THR A 113 -13.620 -11.528 -5.036 1.00 0.00 H new ATOM 0 HG1 THR A 113 -14.874 -9.776 -6.172 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.019 -11.147 -4.605 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.161 -11.464 -3.079 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.622 -9.801 -3.512 1.00 0.00 H new ATOM 1650 N THR A 114 -12.976 -10.411 -1.312 1.00 0.00 N ATOM 1651 CA THR A 114 -12.790 -11.146 -0.072 1.00 0.00 C ATOM 1652 C THR A 114 -13.344 -12.566 -0.206 1.00 0.00 C ATOM 1653 O THR A 114 -14.095 -12.859 -1.136 1.00 0.00 O ATOM 1654 CB THR A 114 -13.441 -10.344 1.056 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.561 -9.719 0.435 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.571 -9.174 1.520 1.00 0.00 C ATOM 0 H THR A 114 -13.415 -9.497 -1.204 1.00 0.00 H new ATOM 0 HA THR A 114 -11.732 -11.264 0.163 1.00 0.00 H new ATOM 0 HB THR A 114 -13.643 -11.003 1.900 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.831 -8.936 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 114 -13.079 -8.638 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.616 -9.553 1.885 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.396 -8.496 0.684 1.00 0.00 H new ATOM 1664 N LEU A 115 -12.952 -13.411 0.736 1.00 0.00 N ATOM 1665 CA LEU A 115 -13.400 -14.793 0.735 1.00 0.00 C ATOM 1666 C LEU A 115 -14.929 -14.829 0.761 1.00 0.00 C ATOM 1667 O LEU A 115 -15.562 -14.005 1.418 1.00 0.00 O ATOM 1668 CB LEU A 115 -12.748 -15.569 1.881 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.308 -16.029 1.646 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -10.896 -17.089 2.670 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.116 -16.516 0.208 1.00 0.00 C ATOM 0 H LEU A 115 -12.329 -13.165 1.505 1.00 0.00 H new ATOM 0 HA LEU A 115 -13.084 -15.295 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -12.768 -14.944 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.359 -16.447 2.093 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.649 -15.172 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.868 -17.398 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.970 -16.672 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.556 -17.952 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.084 -16.837 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.786 -17.354 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.341 -15.704 -0.484 1.00 0.00 H new