USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 488 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 77 ASN : amide:sc= -1.64 K(o=-1.6,f=-4.4!) USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.51! C(o=-2.5!,f=-3.5!) USER MOD Single : A 17 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.029) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.98 K(o=-2,f=-4.2!) USER MOD Single : A 48 ASN : amide:sc= -0.216 K(o=-0.22,f=-0.93) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.329) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.05 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0316 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 62:sc= -0.372 USER MOD Single : A 95 GLN : amide:sc= -0.0194 K(o=-0.019,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.313 18.594 10.878 1.00 0.00 N ATOM 145 CA LEU A 13 -3.749 18.234 9.588 1.00 0.00 C ATOM 146 C LEU A 13 -4.752 17.368 8.822 1.00 0.00 C ATOM 147 O LEU A 13 -5.554 16.658 9.428 1.00 0.00 O ATOM 148 CB LEU A 13 -2.380 17.576 9.767 1.00 0.00 C ATOM 149 CG LEU A 13 -1.225 18.515 10.121 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.041 17.736 10.697 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.820 19.366 8.916 1.00 0.00 C ATOM 0 HA LEU A 13 -3.572 19.126 8.987 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.461 16.821 10.549 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.127 17.053 8.845 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.568 19.199 10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.766 18.427 10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.355 17.213 11.600 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.311 17.012 9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.003 20.024 9.195 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.503 18.715 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.670 19.966 8.592 1.00 0.00 H new ATOM 163 N PRO A 14 -4.673 17.458 7.468 1.00 0.00 N ATOM 164 CA PRO A 14 -5.564 16.692 6.613 1.00 0.00 C ATOM 165 C PRO A 14 -5.153 15.218 6.574 1.00 0.00 C ATOM 166 O PRO A 14 -3.986 14.890 6.783 1.00 0.00 O ATOM 167 CB PRO A 14 -5.482 17.367 5.254 1.00 0.00 C ATOM 168 CG PRO A 14 -4.206 18.193 5.274 1.00 0.00 C ATOM 169 CD PRO A 14 -3.736 18.289 6.716 1.00 0.00 C ATOM 0 HA PRO A 14 -6.591 16.683 6.977 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.457 16.629 4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.353 17.998 5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.440 17.728 4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.388 19.187 4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.713 17.929 6.824 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.750 19.320 7.069 1.00 0.00 H new ATOM 177 N ASN A 15 -6.135 14.371 6.304 1.00 0.00 N ATOM 178 CA ASN A 15 -5.890 12.940 6.235 1.00 0.00 C ATOM 179 C ASN A 15 -6.982 12.280 5.390 1.00 0.00 C ATOM 180 O ASN A 15 -8.116 12.756 5.355 1.00 0.00 O ATOM 181 CB ASN A 15 -5.922 12.308 7.627 1.00 0.00 C ATOM 182 CG ASN A 15 -5.232 13.207 8.655 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.018 13.314 8.708 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.071 13.846 9.464 1.00 0.00 N ATOM 0 H ASN A 15 -7.101 14.648 6.130 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.906 12.787 5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.955 12.133 7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.429 11.336 7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.709 14.471 10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.077 13.711 9.365 1.00 0.00 H new ATOM 191 N ARG A 16 -6.602 11.196 4.731 1.00 0.00 N ATOM 192 CA ARG A 16 -7.535 10.467 3.889 1.00 0.00 C ATOM 193 C ARG A 16 -7.174 8.980 3.860 1.00 0.00 C ATOM 194 O ARG A 16 -6.047 8.618 3.524 1.00 0.00 O ATOM 195 CB ARG A 16 -7.531 11.013 2.460 1.00 0.00 C ATOM 196 CG ARG A 16 -8.932 10.955 1.847 1.00 0.00 C ATOM 197 CD ARG A 16 -9.399 9.508 1.682 1.00 0.00 C ATOM 198 NE ARG A 16 -10.015 9.324 0.349 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.218 9.802 0.005 1.00 0.00 C ATOM 200 NH1 ARG A 16 -11.942 10.496 0.894 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.698 9.587 -1.227 1.00 0.00 N ATOM 0 H ARG A 16 -5.661 10.805 4.763 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.532 10.595 4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.173 12.043 2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.838 10.435 1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.633 11.497 2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.929 11.453 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.554 8.829 1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.118 9.258 2.462 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.491 8.800 -0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.577 10.660 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.858 10.860 0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.147 9.059 -1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.614 9.951 -1.488 1.00 0.00 H new ATOM 215 N GLN A 17 -8.150 8.159 4.218 1.00 0.00 N ATOM 216 CA GLN A 17 -7.949 6.720 4.237 1.00 0.00 C ATOM 217 C GLN A 17 -9.005 6.025 3.376 1.00 0.00 C ATOM 218 O GLN A 17 -10.136 6.497 3.273 1.00 0.00 O ATOM 219 CB GLN A 17 -7.968 6.183 5.669 1.00 0.00 C ATOM 220 CG GLN A 17 -9.386 6.207 6.245 1.00 0.00 C ATOM 221 CD GLN A 17 -9.890 4.789 6.521 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.296 4.025 7.264 1.00 0.00 O ATOM 223 NE2 GLN A 17 -11.016 4.482 5.882 1.00 0.00 N ATOM 0 H GLN A 17 -9.083 8.463 4.497 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.967 6.504 3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.583 5.163 5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.307 6.783 6.295 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.398 6.787 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.058 6.706 5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.461 5.170 5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.434 3.559 6.000 1.00 0.00 H new ATOM 232 N LEU A 18 -8.599 4.914 2.780 1.00 0.00 N ATOM 233 CA LEU A 18 -9.497 4.149 1.931 1.00 0.00 C ATOM 234 C LEU A 18 -9.293 2.656 2.196 1.00 0.00 C ATOM 235 O LEU A 18 -8.323 2.263 2.841 1.00 0.00 O ATOM 236 CB LEU A 18 -9.314 4.544 0.464 1.00 0.00 C ATOM 237 CG LEU A 18 -9.420 6.038 0.154 1.00 0.00 C ATOM 238 CD1 LEU A 18 -8.172 6.536 -0.578 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.702 6.348 -0.622 1.00 0.00 C ATOM 0 H LEU A 18 -7.660 4.525 2.868 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.535 4.377 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.337 4.193 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.060 4.016 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.477 6.579 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.273 7.601 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.294 6.370 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.059 5.992 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.752 7.417 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.701 5.796 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.567 6.052 -0.028 1.00 0.00 H new ATOM 251 N LYS A 19 -10.224 1.864 1.683 1.00 0.00 N ATOM 252 CA LYS A 19 -10.158 0.423 1.856 1.00 0.00 C ATOM 253 C LYS A 19 -10.045 -0.246 0.485 1.00 0.00 C ATOM 254 O LYS A 19 -11.009 -0.274 -0.278 1.00 0.00 O ATOM 255 CB LYS A 19 -11.345 -0.072 2.685 1.00 0.00 C ATOM 256 CG LYS A 19 -12.568 -0.319 1.799 1.00 0.00 C ATOM 257 CD LYS A 19 -13.826 -0.523 2.646 1.00 0.00 C ATOM 258 CE LYS A 19 -14.971 -1.084 1.800 1.00 0.00 C ATOM 259 NZ LYS A 19 -16.271 -0.844 2.464 1.00 0.00 N ATOM 0 H LYS A 19 -11.028 2.193 1.148 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.267 0.148 2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.074 -0.993 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.589 0.663 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.711 0.527 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.399 -1.197 1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.609 -1.205 3.468 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.128 0.426 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.967 -0.616 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.827 -2.153 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.037 -1.231 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.278 -1.311 3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.413 0.179 2.589 1.00 0.00 H new ATOM 273 N VAL A 20 -8.858 -0.770 0.213 1.00 0.00 N ATOM 274 CA VAL A 20 -8.606 -1.437 -1.053 1.00 0.00 C ATOM 275 C VAL A 20 -9.058 -2.895 -0.954 1.00 0.00 C ATOM 276 O VAL A 20 -8.504 -3.669 -0.175 1.00 0.00 O ATOM 277 CB VAL A 20 -7.132 -1.292 -1.436 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.852 -1.944 -2.792 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.707 0.178 -1.436 1.00 0.00 C ATOM 0 H VAL A 20 -8.060 -0.746 0.848 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.183 -0.971 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.538 -1.812 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.797 -1.827 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.098 -3.005 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.461 -1.465 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.655 0.253 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.311 0.731 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.852 0.599 -0.441 1.00 0.00 H new ATOM 289 N LYS A 21 -10.059 -3.227 -1.756 1.00 0.00 N ATOM 290 CA LYS A 21 -10.591 -4.579 -1.769 1.00 0.00 C ATOM 291 C LYS A 21 -9.783 -5.431 -2.750 1.00 0.00 C ATOM 292 O LYS A 21 -10.020 -5.389 -3.956 1.00 0.00 O ATOM 293 CB LYS A 21 -12.093 -4.561 -2.063 1.00 0.00 C ATOM 294 CG LYS A 21 -12.901 -4.916 -0.813 1.00 0.00 C ATOM 295 CD LYS A 21 -14.367 -5.177 -1.164 1.00 0.00 C ATOM 296 CE LYS A 21 -15.060 -5.980 -0.062 1.00 0.00 C ATOM 297 NZ LYS A 21 -16.121 -6.839 -0.634 1.00 0.00 N ATOM 0 H LYS A 21 -10.516 -2.583 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.487 -5.039 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.385 -3.574 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.320 -5.269 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.474 -5.800 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.836 -4.103 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.885 -4.229 -1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.428 -5.720 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.329 -6.596 0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.491 -5.301 0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.581 -7.377 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.827 -6.245 -1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.701 -7.499 -1.319 1.00 0.00 H new ATOM 311 N VAL A 22 -8.845 -6.185 -2.195 1.00 0.00 N ATOM 312 CA VAL A 22 -8.001 -7.046 -3.006 1.00 0.00 C ATOM 313 C VAL A 22 -8.623 -8.441 -3.079 1.00 0.00 C ATOM 314 O VAL A 22 -9.795 -8.620 -2.751 1.00 0.00 O ATOM 315 CB VAL A 22 -6.576 -7.055 -2.448 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.003 -5.638 -2.383 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.528 -7.730 -1.076 1.00 0.00 C ATOM 0 H VAL A 22 -8.651 -6.217 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.935 -6.667 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.954 -7.636 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.990 -5.673 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.983 -5.207 -3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.627 -5.022 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.504 -7.723 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.171 -7.189 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.875 -8.760 -1.165 1.00 0.00 H new ATOM 643 N GLN A 44 7.137 0.229 -0.260 1.00 0.00 N ATOM 644 CA GLN A 44 7.515 1.301 0.644 1.00 0.00 C ATOM 645 C GLN A 44 8.369 2.338 -0.088 1.00 0.00 C ATOM 646 O GLN A 44 8.098 3.536 -0.013 1.00 0.00 O ATOM 647 CB GLN A 44 8.250 0.753 1.869 1.00 0.00 C ATOM 648 CG GLN A 44 9.425 -0.134 1.451 1.00 0.00 C ATOM 649 CD GLN A 44 10.734 0.657 1.445 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.798 1.805 1.854 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.772 -0.018 0.961 1.00 0.00 N ATOM 0 HA GLN A 44 6.606 1.790 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.613 1.580 2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.558 0.180 2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.509 -0.978 2.135 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.240 -0.545 0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.650 -0.977 0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.691 0.423 0.916 1.00 0.00 H new ATOM 660 N GLU A 45 9.383 1.840 -0.781 1.00 0.00 N ATOM 661 CA GLU A 45 10.278 2.709 -1.526 1.00 0.00 C ATOM 662 C GLU A 45 9.484 3.567 -2.513 1.00 0.00 C ATOM 663 O GLU A 45 9.589 4.793 -2.499 1.00 0.00 O ATOM 664 CB GLU A 45 11.354 1.896 -2.249 1.00 0.00 C ATOM 665 CG GLU A 45 12.738 2.170 -1.658 1.00 0.00 C ATOM 666 CD GLU A 45 13.807 1.318 -2.345 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.178 1.681 -3.481 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.228 0.322 -1.717 1.00 0.00 O ATOM 0 H GLU A 45 9.604 0.846 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 45 10.781 3.371 -0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.125 0.833 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.352 2.146 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.982 3.226 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.730 1.957 -0.589 1.00 0.00 H new ATOM 675 N ALA A 46 8.708 2.891 -3.346 1.00 0.00 N ATOM 676 CA ALA A 46 7.897 3.576 -4.338 1.00 0.00 C ATOM 677 C ALA A 46 7.179 4.755 -3.676 1.00 0.00 C ATOM 678 O ALA A 46 7.525 5.910 -3.915 1.00 0.00 O ATOM 679 CB ALA A 46 6.923 2.584 -4.976 1.00 0.00 C ATOM 0 H ALA A 46 8.623 1.875 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 46 8.523 3.976 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.315 3.099 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.483 1.782 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.276 2.163 -4.206 1.00 0.00 H new ATOM 685 N ILE A 47 6.191 4.421 -2.858 1.00 0.00 N ATOM 686 CA ILE A 47 5.422 5.437 -2.161 1.00 0.00 C ATOM 687 C ILE A 47 6.377 6.388 -1.438 1.00 0.00 C ATOM 688 O ILE A 47 6.240 7.606 -1.538 1.00 0.00 O ATOM 689 CB ILE A 47 4.387 4.787 -1.240 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.394 3.942 -2.040 1.00 0.00 C ATOM 691 CG2 ILE A 47 3.683 5.838 -0.379 1.00 0.00 C ATOM 692 CD1 ILE A 47 2.847 2.791 -1.194 1.00 0.00 C ATOM 0 H ILE A 47 5.906 3.461 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 47 4.852 6.037 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 47 4.909 4.112 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.571 4.569 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.883 3.544 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.953 5.350 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.419 6.358 0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.175 6.556 -1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.144 2.206 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.670 2.152 -0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.337 3.193 -0.319 1.00 0.00 H new ATOM 704 N ASN A 48 7.325 5.796 -0.726 1.00 0.00 N ATOM 705 CA ASN A 48 8.303 6.575 0.013 1.00 0.00 C ATOM 706 C ASN A 48 8.894 7.647 -0.905 1.00 0.00 C ATOM 707 O ASN A 48 9.069 8.794 -0.494 1.00 0.00 O ATOM 708 CB ASN A 48 9.451 5.692 0.508 1.00 0.00 C ATOM 709 CG ASN A 48 10.661 6.539 0.907 1.00 0.00 C ATOM 710 OD1 ASN A 48 10.540 7.618 1.462 1.00 0.00 O ATOM 711 ND2 ASN A 48 11.832 5.990 0.594 1.00 0.00 N ATOM 0 H ASN A 48 7.436 4.785 -0.646 1.00 0.00 H new ATOM 0 HA ASN A 48 7.799 7.024 0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.118 5.102 1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.737 4.989 -0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.700 6.477 0.819 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.862 5.083 0.129 1.00 0.00 H new ATOM 718 N ASP A 49 9.185 7.237 -2.131 1.00 0.00 N ATOM 719 CA ASP A 49 9.752 8.148 -3.110 1.00 0.00 C ATOM 720 C ASP A 49 8.737 9.249 -3.423 1.00 0.00 C ATOM 721 O ASP A 49 9.116 10.369 -3.764 1.00 0.00 O ATOM 722 CB ASP A 49 10.078 7.420 -4.416 1.00 0.00 C ATOM 723 CG ASP A 49 11.291 7.963 -5.174 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.243 9.156 -5.541 1.00 0.00 O ATOM 725 OD2 ASP A 49 12.239 7.171 -5.368 1.00 0.00 O ATOM 0 H ASP A 49 9.039 6.286 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 49 10.668 8.565 -2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.249 6.367 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.207 7.471 -5.070 1.00 0.00 H new ATOM 730 N LEU A 50 7.467 8.893 -3.297 1.00 0.00 N ATOM 731 CA LEU A 50 6.395 9.838 -3.562 1.00 0.00 C ATOM 732 C LEU A 50 6.199 10.736 -2.340 1.00 0.00 C ATOM 733 O LEU A 50 6.018 11.945 -2.476 1.00 0.00 O ATOM 734 CB LEU A 50 5.126 9.100 -3.994 1.00 0.00 C ATOM 735 CG LEU A 50 4.931 8.927 -5.501 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.287 7.576 -5.820 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.135 10.094 -6.088 1.00 0.00 C ATOM 0 H LEU A 50 7.156 7.963 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 50 6.657 10.489 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.129 8.113 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.264 9.636 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 50 5.912 8.935 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.160 7.479 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.928 6.773 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.314 7.513 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.010 9.946 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.156 10.142 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.671 11.026 -5.910 1.00 0.00 H new ATOM 749 N VAL A 51 6.240 10.110 -1.172 1.00 0.00 N ATOM 750 CA VAL A 51 6.069 10.838 0.073 1.00 0.00 C ATOM 751 C VAL A 51 6.968 12.076 0.063 1.00 0.00 C ATOM 752 O VAL A 51 6.684 13.059 0.747 1.00 0.00 O ATOM 753 CB VAL A 51 6.340 9.913 1.262 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.356 10.698 2.575 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.318 8.776 1.315 1.00 0.00 C ATOM 0 H VAL A 51 6.389 9.107 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 51 5.040 11.184 0.174 1.00 0.00 H new ATOM 0 HB VAL A 51 7.327 9.471 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.551 10.017 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.139 11.456 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.390 11.181 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.533 8.133 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.316 9.192 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.376 8.191 0.397 1.00 0.00 H new ATOM 765 N LYS A 52 8.032 11.989 -0.720 1.00 0.00 N ATOM 766 CA LYS A 52 8.974 13.090 -0.828 1.00 0.00 C ATOM 767 C LYS A 52 8.504 14.053 -1.921 1.00 0.00 C ATOM 768 O LYS A 52 8.656 15.266 -1.792 1.00 0.00 O ATOM 769 CB LYS A 52 10.394 12.562 -1.043 1.00 0.00 C ATOM 770 CG LYS A 52 10.835 11.683 0.128 1.00 0.00 C ATOM 771 CD LYS A 52 12.353 11.487 0.126 1.00 0.00 C ATOM 772 CE LYS A 52 12.971 11.979 1.436 1.00 0.00 C ATOM 773 NZ LYS A 52 14.331 11.421 1.609 1.00 0.00 N ATOM 0 H LYS A 52 8.263 11.173 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 52 9.007 13.655 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.436 11.988 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.084 13.399 -1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.525 12.141 1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.340 10.714 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.587 10.432 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.792 12.027 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.015 13.068 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.341 11.684 2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.736 11.765 2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.280 10.382 1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.934 11.723 0.817 1.00 0.00 H new ATOM 787 N LYS A 53 7.942 13.474 -2.972 1.00 0.00 N ATOM 788 CA LYS A 53 7.448 14.265 -4.087 1.00 0.00 C ATOM 789 C LYS A 53 6.573 15.401 -3.552 1.00 0.00 C ATOM 790 O LYS A 53 6.530 16.483 -4.135 1.00 0.00 O ATOM 791 CB LYS A 53 6.740 13.371 -5.107 1.00 0.00 C ATOM 792 CG LYS A 53 7.752 12.656 -6.004 1.00 0.00 C ATOM 793 CD LYS A 53 7.044 11.799 -7.055 1.00 0.00 C ATOM 794 CE LYS A 53 5.842 12.539 -7.647 1.00 0.00 C ATOM 795 NZ LYS A 53 5.327 11.824 -8.836 1.00 0.00 N ATOM 0 H LYS A 53 7.818 12.467 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 53 8.277 14.726 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.126 12.636 -4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.068 13.973 -5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.389 13.390 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.403 12.028 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.744 11.540 -7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.713 10.863 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.055 12.624 -6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.131 13.553 -7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.354 12.133 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.930 12.036 -9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.335 10.800 -8.656 1.00 0.00 H new ATOM 809 N TYR A 54 5.896 15.115 -2.450 1.00 0.00 N ATOM 810 CA TYR A 54 5.025 16.099 -1.830 1.00 0.00 C ATOM 811 C TYR A 54 5.690 16.726 -0.604 1.00 0.00 C ATOM 812 O TYR A 54 6.806 16.356 -0.241 1.00 0.00 O ATOM 813 CB TYR A 54 3.777 15.334 -1.384 1.00 0.00 C ATOM 814 CG TYR A 54 3.070 14.583 -2.513 1.00 0.00 C ATOM 815 CD1 TYR A 54 2.196 15.251 -3.346 1.00 0.00 C ATOM 816 CD2 TYR A 54 3.305 13.235 -2.699 1.00 0.00 C ATOM 817 CE1 TYR A 54 1.531 14.544 -4.410 1.00 0.00 C ATOM 818 CE2 TYR A 54 2.640 12.528 -3.762 1.00 0.00 C ATOM 819 CZ TYR A 54 1.786 13.217 -4.565 1.00 0.00 C ATOM 820 OH TYR A 54 1.157 12.549 -5.569 1.00 0.00 O ATOM 0 H TYR A 54 5.933 14.216 -1.970 1.00 0.00 H new ATOM 0 HA TYR A 54 4.796 16.903 -2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.058 14.622 -0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.075 16.036 -0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.010 16.305 -3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.988 12.711 -2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.846 15.056 -5.070 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.815 11.474 -3.918 1.00 0.00 H new ATOM 0 HH TYR A 54 1.435 11.609 -5.561 1.00 0.00 H new ATOM 830 N THR A 55 4.977 17.665 0.001 1.00 0.00 N ATOM 831 CA THR A 55 5.485 18.347 1.179 1.00 0.00 C ATOM 832 C THR A 55 4.861 17.759 2.447 1.00 0.00 C ATOM 833 O THR A 55 3.645 17.588 2.522 1.00 0.00 O ATOM 834 CB THR A 55 5.219 19.844 1.010 1.00 0.00 C ATOM 835 OG1 THR A 55 6.402 20.338 0.387 1.00 0.00 O ATOM 836 CG2 THR A 55 5.165 20.585 2.347 1.00 0.00 C ATOM 0 H THR A 55 4.052 17.969 -0.303 1.00 0.00 H new ATOM 0 HA THR A 55 6.560 18.203 1.286 1.00 0.00 H new ATOM 0 HB THR A 55 4.278 19.987 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.315 21.303 0.238 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.974 21.643 2.169 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.366 20.170 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.117 20.470 2.865 1.00 0.00 H new ATOM 844 N LEU A 56 5.721 17.466 3.410 1.00 0.00 N ATOM 845 CA LEU A 56 5.269 16.901 4.670 1.00 0.00 C ATOM 846 C LEU A 56 4.166 15.877 4.399 1.00 0.00 C ATOM 847 O LEU A 56 3.029 16.054 4.834 1.00 0.00 O ATOM 848 CB LEU A 56 4.854 18.011 5.637 1.00 0.00 C ATOM 849 CG LEU A 56 5.984 18.893 6.172 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.301 18.118 6.236 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.114 20.177 5.349 1.00 0.00 C ATOM 0 H LEU A 56 6.729 17.609 3.344 1.00 0.00 H new ATOM 0 HA LEU A 56 6.083 16.369 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.128 18.650 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.344 17.554 6.485 1.00 0.00 H new ATOM 0 HG LEU A 56 5.734 19.188 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.087 18.768 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.186 17.259 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.570 17.774 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.924 20.786 5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.330 19.924 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.180 20.737 5.399 1.00 0.00 H new ATOM 863 N ALA A 57 4.539 14.828 3.680 1.00 0.00 N ATOM 864 CA ALA A 57 3.595 13.776 3.345 1.00 0.00 C ATOM 865 C ALA A 57 3.945 12.512 4.135 1.00 0.00 C ATOM 866 O ALA A 57 5.087 12.336 4.556 1.00 0.00 O ATOM 867 CB ALA A 57 3.608 13.541 1.834 1.00 0.00 C ATOM 0 H ALA A 57 5.483 14.685 3.320 1.00 0.00 H new ATOM 0 HA ALA A 57 2.582 14.067 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.900 12.752 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.325 14.460 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.609 13.244 1.521 1.00 0.00 H new ATOM 873 N ARG A 58 2.941 11.666 4.311 1.00 0.00 N ATOM 874 CA ARG A 58 3.128 10.425 5.042 1.00 0.00 C ATOM 875 C ARG A 58 2.076 9.397 4.621 1.00 0.00 C ATOM 876 O ARG A 58 0.881 9.690 4.624 1.00 0.00 O ATOM 877 CB ARG A 58 3.031 10.654 6.551 1.00 0.00 C ATOM 878 CG ARG A 58 4.400 10.503 7.218 1.00 0.00 C ATOM 879 CD ARG A 58 4.538 11.453 8.409 1.00 0.00 C ATOM 880 NE ARG A 58 5.924 11.417 8.927 1.00 0.00 N ATOM 881 CZ ARG A 58 6.332 12.063 10.028 1.00 0.00 C ATOM 882 NH1 ARG A 58 5.462 12.799 10.734 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.609 11.974 10.423 1.00 0.00 N ATOM 0 H ARG A 58 1.995 11.816 3.960 1.00 0.00 H new ATOM 0 HA ARG A 58 4.124 10.049 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.635 11.651 6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.330 9.942 6.986 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.534 9.474 7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.187 10.708 6.492 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.280 12.468 8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.839 11.167 9.195 1.00 0.00 H new ATOM 0 HE ARG A 58 6.612 10.866 8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.490 12.867 10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.772 13.291 11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.271 11.414 9.886 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.919 12.466 11.261 1.00 0.00 H new ATOM 897 N ALA A 59 2.558 8.214 4.268 1.00 0.00 N ATOM 898 CA ALA A 59 1.673 7.142 3.846 1.00 0.00 C ATOM 899 C ALA A 59 2.013 5.869 4.624 1.00 0.00 C ATOM 900 O ALA A 59 3.130 5.720 5.119 1.00 0.00 O ATOM 901 CB ALA A 59 1.792 6.948 2.333 1.00 0.00 C ATOM 0 H ALA A 59 3.550 7.975 4.266 1.00 0.00 H new ATOM 0 HA ALA A 59 0.635 7.394 4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.128 6.144 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.512 7.871 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.820 6.691 2.079 1.00 0.00 H new ATOM 907 N PHE A 60 1.030 4.985 4.709 1.00 0.00 N ATOM 908 CA PHE A 60 1.211 3.730 5.420 1.00 0.00 C ATOM 909 C PHE A 60 0.248 2.662 4.899 1.00 0.00 C ATOM 910 O PHE A 60 -0.491 2.899 3.945 1.00 0.00 O ATOM 911 CB PHE A 60 0.905 4.003 6.894 1.00 0.00 C ATOM 912 CG PHE A 60 2.150 4.176 7.766 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.136 3.240 7.737 1.00 0.00 C ATOM 914 CD2 PHE A 60 2.270 5.266 8.571 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.292 3.401 8.547 1.00 0.00 C ATOM 916 CE2 PHE A 60 3.425 5.427 9.381 1.00 0.00 C ATOM 917 CZ PHE A 60 4.411 4.491 9.352 1.00 0.00 C ATOM 0 H PHE A 60 0.105 5.113 4.297 1.00 0.00 H new ATOM 0 HA PHE A 60 2.228 3.364 5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.295 4.903 6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.309 3.181 7.289 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.040 2.374 7.098 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.487 6.009 8.594 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.076 2.658 8.524 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.520 6.293 10.020 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.289 4.613 9.969 1.00 0.00 H new ATOM 927 N VAL A 61 0.287 1.508 5.550 1.00 0.00 N ATOM 928 CA VAL A 61 -0.573 0.402 5.165 1.00 0.00 C ATOM 929 C VAL A 61 -0.859 -0.467 6.391 1.00 0.00 C ATOM 930 O VAL A 61 -0.009 -0.606 7.269 1.00 0.00 O ATOM 931 CB VAL A 61 0.063 -0.379 4.013 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.082 0.378 2.691 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.531 -0.693 4.308 1.00 0.00 C ATOM 0 H VAL A 61 0.901 1.315 6.342 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.531 0.772 4.799 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.469 -1.326 3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.378 -0.199 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.139 0.526 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.411 1.347 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.959 -1.248 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.082 0.238 4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.600 -1.292 5.216 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.328 -3.458 2.729 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.045 -2.926 3.154 1.00 0.00 C ATOM 1061 C VAL A 70 -6.223 -1.474 3.602 1.00 0.00 C ATOM 1062 O VAL A 70 -6.276 -0.567 2.773 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.016 -3.084 2.032 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -3.832 -2.135 2.237 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -4.543 -4.535 1.923 1.00 0.00 C ATOM 0 HA VAL A 70 -5.663 -3.485 4.008 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.500 -2.818 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.115 -2.267 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.188 -1.105 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.349 -2.357 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.813 -4.620 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.084 -4.840 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.395 -5.180 1.709 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.310 -1.299 4.912 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.481 0.027 5.480 1.00 0.00 C ATOM 1077 C ARG A 71 -5.404 0.975 4.949 1.00 0.00 C ATOM 1078 O ARG A 71 -4.312 1.056 5.508 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.405 -0.014 7.008 1.00 0.00 C ATOM 1080 CG ARG A 71 -7.759 0.329 7.633 1.00 0.00 C ATOM 1081 CD ARG A 71 -8.407 -0.911 8.251 1.00 0.00 C ATOM 1082 NE ARG A 71 -9.186 -0.531 9.451 1.00 0.00 N ATOM 1083 CZ ARG A 71 -8.639 -0.111 10.600 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -7.307 -0.015 10.712 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -9.423 0.213 11.637 1.00 0.00 N ATOM 0 H ARG A 71 -6.265 -2.054 5.597 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.466 0.389 5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.091 -1.006 7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.650 0.690 7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.627 1.094 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.419 0.748 6.873 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.059 -1.392 7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.639 -1.636 8.520 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.203 -0.593 9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.710 -0.262 9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.890 0.305 11.586 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.437 0.140 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.006 0.533 12.511 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.750 1.670 3.874 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.827 2.609 3.261 1.00 0.00 C ATOM 1101 C VAL A 72 -4.875 3.935 4.021 1.00 0.00 C ATOM 1102 O VAL A 72 -5.862 4.235 4.692 1.00 0.00 O ATOM 1103 CB VAL A 72 -5.147 2.761 1.772 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.388 3.943 1.166 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.846 1.468 1.012 1.00 0.00 C ATOM 0 H VAL A 72 -6.657 1.601 3.413 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.805 2.236 3.324 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.214 2.964 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.633 4.029 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.673 4.861 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.316 3.783 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.082 1.603 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.790 1.221 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.451 0.658 1.418 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.797 4.695 3.891 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.705 5.983 4.558 1.00 0.00 C ATOM 1117 C TYR A 73 -2.645 6.867 3.898 1.00 0.00 C ATOM 1118 O TYR A 73 -1.640 6.367 3.394 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.277 5.683 5.996 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.944 6.579 7.043 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.267 6.378 7.380 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -3.222 7.587 7.649 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.894 7.221 8.365 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.849 8.429 8.634 1.00 0.00 C ATOM 1125 CZ TYR A 73 -5.154 8.205 8.943 1.00 0.00 C ATOM 1126 OH TYR A 73 -5.746 9.001 9.873 1.00 0.00 O ATOM 0 H TYR A 73 -2.980 4.444 3.334 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.657 6.511 4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.507 4.642 6.223 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.195 5.794 6.073 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.832 5.589 6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.187 7.744 7.384 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.929 7.075 8.639 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.295 9.221 9.117 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.098 9.659 10.201 1.00 0.00 H new ATOM 1136 N ALA A 74 -2.905 8.166 3.921 1.00 0.00 N ATOM 1137 CA ALA A 74 -1.987 9.124 3.331 1.00 0.00 C ATOM 1138 C ALA A 74 -2.350 10.532 3.806 1.00 0.00 C ATOM 1139 O ALA A 74 -3.515 10.816 4.084 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.024 8.996 1.807 1.00 0.00 C ATOM 0 H ALA A 74 -3.739 8.577 4.340 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.965 8.921 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.335 9.715 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.729 7.987 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.034 9.195 1.450 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.333 11.377 3.886 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.531 12.748 4.323 1.00 0.00 C ATOM 1148 C GLU A 75 -0.529 13.675 3.632 1.00 0.00 C ATOM 1149 O GLU A 75 0.344 13.215 2.898 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.422 12.860 5.845 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.053 12.381 6.334 1.00 0.00 C ATOM 1152 CD GLU A 75 0.286 12.988 7.697 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.404 12.616 8.671 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.227 13.810 7.734 1.00 0.00 O ATOM 0 H GLU A 75 -0.369 11.138 3.655 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.537 13.057 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.579 13.895 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.207 12.267 6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.049 11.293 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.713 12.656 5.609 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.688 14.965 3.893 1.00 0.00 N ATOM 1162 CA ALA A 76 0.192 15.961 3.305 1.00 0.00 C ATOM 1163 C ALA A 76 -0.054 17.313 3.978 1.00 0.00 C ATOM 1164 O ALA A 76 -1.091 17.518 4.606 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.033 16.013 1.792 1.00 0.00 C ATOM 0 H ALA A 76 -1.413 15.343 4.503 1.00 0.00 H new ATOM 0 HA ALA A 76 1.236 15.695 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.627 16.760 1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.183 15.037 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.070 16.279 1.587 1.00 0.00 H new ATOM 1171 N ASN A 77 0.918 18.200 3.823 1.00 0.00 N ATOM 1172 CA ASN A 77 0.820 19.527 4.407 1.00 0.00 C ATOM 1173 C ASN A 77 -0.479 20.189 3.944 1.00 0.00 C ATOM 1174 O ASN A 77 -0.987 21.096 4.602 1.00 0.00 O ATOM 1175 CB ASN A 77 1.987 20.412 3.964 1.00 0.00 C ATOM 1176 CG ASN A 77 1.723 21.879 4.306 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.831 22.517 3.771 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.546 22.377 5.224 1.00 0.00 N ATOM 0 H ASN A 77 1.777 18.026 3.302 1.00 0.00 H new ATOM 0 HA ASN A 77 0.841 19.420 5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.904 20.081 4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.140 20.307 2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.452 23.348 5.520 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.272 21.788 5.632 1.00 0.00 H new ATOM 1185 N SER A 78 -0.979 19.711 2.814 1.00 0.00 N ATOM 1186 CA SER A 78 -2.208 20.246 2.254 1.00 0.00 C ATOM 1187 C SER A 78 -3.245 19.130 2.109 1.00 0.00 C ATOM 1188 O SER A 78 -2.891 17.955 2.034 1.00 0.00 O ATOM 1189 CB SER A 78 -1.953 20.913 0.901 1.00 0.00 C ATOM 1190 OG SER A 78 -1.024 21.989 1.003 1.00 0.00 O ATOM 0 H SER A 78 -0.555 18.959 2.271 1.00 0.00 H new ATOM 0 HA SER A 78 -2.592 21.005 2.935 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.574 20.172 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.895 21.284 0.496 1.00 0.00 H new ATOM 0 HG SER A 78 -0.887 22.388 0.118 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.505 19.538 2.073 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.596 18.588 1.938 1.00 0.00 C ATOM 1198 C GLN A 79 -5.737 18.145 0.480 1.00 0.00 C ATOM 1199 O GLN A 79 -6.343 17.113 0.197 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.907 19.180 2.460 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.416 20.286 1.535 1.00 0.00 C ATOM 1202 CD GLN A 79 -8.790 20.788 1.984 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.386 20.287 2.924 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -9.257 21.803 1.263 1.00 0.00 N ATOM 0 H GLN A 79 -4.795 20.514 2.135 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.365 17.711 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.658 18.394 2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.756 19.580 3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.707 21.114 1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.478 19.911 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.706 22.175 0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.166 22.210 1.484 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.167 18.948 -0.406 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.221 18.652 -1.828 1.00 0.00 C ATOM 1215 C GLU A 80 -4.379 17.414 -2.145 1.00 0.00 C ATOM 1216 O GLU A 80 -4.851 16.490 -2.804 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.763 19.854 -2.656 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.870 20.319 -3.605 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.317 20.570 -5.010 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.546 19.705 -5.480 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.678 21.621 -5.582 1.00 0.00 O ATOM 0 H GLU A 80 -4.665 19.803 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.256 18.441 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.481 20.671 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.875 19.588 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.657 19.566 -3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.324 21.232 -3.220 1.00 0.00 H new ATOM 1228 N SER A 81 -3.146 17.437 -1.661 1.00 0.00 N ATOM 1229 CA SER A 81 -2.233 16.329 -1.884 1.00 0.00 C ATOM 1230 C SER A 81 -2.672 15.116 -1.061 1.00 0.00 C ATOM 1231 O SER A 81 -2.699 13.995 -1.567 1.00 0.00 O ATOM 1232 CB SER A 81 -0.797 16.719 -1.531 1.00 0.00 C ATOM 1233 OG SER A 81 -0.614 18.132 -1.518 1.00 0.00 O ATOM 0 H SER A 81 -2.758 18.206 -1.115 1.00 0.00 H new ATOM 0 HA SER A 81 -2.260 16.071 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.541 16.312 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.113 16.272 -2.252 1.00 0.00 H new ATOM 0 HG SER A 81 0.315 18.339 -1.287 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.004 15.381 0.194 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.440 14.326 1.092 1.00 0.00 C ATOM 1241 C ALA A 82 -4.395 13.391 0.347 1.00 0.00 C ATOM 1242 O ALA A 82 -4.370 12.179 0.553 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.081 14.945 2.335 1.00 0.00 C ATOM 0 H ALA A 82 -2.980 16.312 0.610 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.590 13.731 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.408 14.153 3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.353 15.576 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.940 15.548 2.040 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.216 13.991 -0.503 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.179 13.227 -1.279 1.00 0.00 C ATOM 1251 C ASP A 83 -5.460 12.543 -2.443 1.00 0.00 C ATOM 1252 O ASP A 83 -5.660 11.354 -2.688 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.262 14.137 -1.862 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.691 13.604 -1.735 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.993 13.039 -0.661 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.448 13.773 -2.715 1.00 0.00 O ATOM 0 H ASP A 83 -5.234 14.997 -0.671 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.641 12.495 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.206 15.106 -1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.045 14.305 -2.917 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.638 13.322 -3.130 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.888 12.806 -4.263 1.00 0.00 C ATOM 1263 C ARG A 84 -3.094 11.564 -3.852 1.00 0.00 C ATOM 1264 O ARG A 84 -3.271 10.491 -4.427 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.925 13.860 -4.812 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.072 13.999 -6.329 1.00 0.00 C ATOM 1267 CD ARG A 84 -1.903 13.332 -7.056 1.00 0.00 C ATOM 1268 NE ARG A 84 -1.238 14.308 -7.948 1.00 0.00 N ATOM 1269 CZ ARG A 84 -1.748 14.728 -9.114 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -2.930 14.260 -9.536 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -1.075 15.617 -9.858 1.00 0.00 N ATOM 0 H ARG A 84 -4.475 14.308 -2.924 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.603 12.543 -5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.120 14.820 -4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.900 13.584 -4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.010 13.547 -6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.118 15.054 -6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.188 12.943 -6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.262 12.482 -7.637 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.336 14.684 -7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.442 13.584 -8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.318 14.580 -10.423 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.175 15.974 -9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.463 15.937 -10.745 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.235 11.751 -2.861 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.413 10.660 -2.366 1.00 0.00 C ATOM 1287 C LEU A 85 -2.313 9.483 -1.982 1.00 0.00 C ATOM 1288 O LEU A 85 -2.012 8.336 -2.307 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.511 11.141 -1.228 1.00 0.00 C ATOM 1290 CG LEU A 85 0.657 10.223 -0.864 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.710 10.208 -1.974 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.257 10.609 0.489 1.00 0.00 C ATOM 0 H LEU A 85 -2.090 12.643 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.740 10.306 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.109 12.118 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.126 11.284 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 85 0.275 9.207 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.529 9.548 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.259 9.849 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.093 11.217 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.085 9.941 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.620 11.636 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.494 10.526 1.263 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.399 9.809 -1.297 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.344 8.793 -0.865 1.00 0.00 C ATOM 1306 C ALA A 86 -4.789 7.970 -2.076 1.00 0.00 C ATOM 1307 O ALA A 86 -4.411 6.808 -2.213 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.520 9.461 -0.150 1.00 0.00 C ATOM 0 H ALA A 86 -3.646 10.762 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.877 8.110 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.229 8.699 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.154 10.009 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.016 10.151 -0.832 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.587 8.605 -2.922 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.088 7.946 -4.116 1.00 0.00 C ATOM 1316 C TYR A 87 -4.977 7.160 -4.815 1.00 0.00 C ATOM 1317 O TYR A 87 -5.113 5.960 -5.050 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.568 9.063 -5.044 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.420 8.742 -6.533 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -6.785 7.500 -7.010 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.920 9.694 -7.398 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -6.645 7.198 -8.412 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.781 9.392 -8.799 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.150 8.159 -9.237 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.018 7.873 -10.560 1.00 0.00 O ATOM 0 H TYR A 87 -5.899 9.569 -2.804 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.882 7.243 -3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.616 9.273 -4.831 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.009 9.972 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.175 6.755 -6.333 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.633 10.666 -7.024 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -6.927 6.230 -8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.392 10.129 -9.487 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.653 8.653 -11.028 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.902 7.868 -5.129 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.768 7.252 -5.797 1.00 0.00 C ATOM 1337 C GLU A 88 -2.330 5.993 -5.047 1.00 0.00 C ATOM 1338 O GLU A 88 -2.340 4.898 -5.607 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.608 8.241 -5.932 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.866 9.237 -7.065 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.551 9.715 -7.684 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.251 8.834 -8.062 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.378 10.950 -7.765 1.00 0.00 O ATOM 0 H GLU A 88 -3.792 8.863 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.076 6.964 -6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.473 8.779 -4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.683 7.698 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.484 8.769 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.424 10.092 -6.683 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.957 6.190 -3.791 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.517 5.084 -2.958 1.00 0.00 C ATOM 1352 C VAL A 89 -2.491 3.914 -3.115 1.00 0.00 C ATOM 1353 O VAL A 89 -2.079 2.796 -3.418 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.368 5.547 -1.508 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.158 4.357 -0.570 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.230 6.561 -1.370 1.00 0.00 C ATOM 0 H VAL A 89 -1.950 7.100 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.535 4.734 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.295 6.042 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.055 4.715 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.015 3.686 -0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.254 3.821 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.146 6.874 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.706 6.103 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.439 7.430 -1.994 1.00 0.00 H new ATOM 1366 N SER A 90 -3.764 4.213 -2.901 1.00 0.00 N ATOM 1367 CA SER A 90 -4.799 3.200 -3.015 1.00 0.00 C ATOM 1368 C SER A 90 -4.806 2.615 -4.428 1.00 0.00 C ATOM 1369 O SER A 90 -4.960 1.407 -4.603 1.00 0.00 O ATOM 1370 CB SER A 90 -6.174 3.778 -2.672 1.00 0.00 C ATOM 1371 OG SER A 90 -6.251 5.173 -2.949 1.00 0.00 O ATOM 0 H SER A 90 -4.102 5.142 -2.649 1.00 0.00 H new ATOM 0 HA SER A 90 -4.580 2.405 -2.302 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.940 3.253 -3.242 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.387 3.606 -1.617 1.00 0.00 H new ATOM 0 HG SER A 90 -6.120 5.324 -3.908 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.638 3.499 -5.401 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.623 3.085 -6.794 1.00 0.00 C ATOM 1379 C LEU A 91 -3.419 2.174 -7.037 1.00 0.00 C ATOM 1380 O LEU A 91 -3.491 1.247 -7.843 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.667 4.306 -7.716 1.00 0.00 C ATOM 1382 CG LEU A 91 -3.434 4.528 -8.593 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -3.438 3.581 -9.795 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -3.321 5.993 -9.019 1.00 0.00 C ATOM 0 H LEU A 91 -4.511 4.500 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.515 2.505 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.538 4.216 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.817 5.195 -7.103 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.548 4.295 -8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.551 3.760 -10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.436 2.549 -9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.330 3.759 -10.395 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.436 6.124 -9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.208 6.277 -9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.238 6.624 -8.134 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.341 2.468 -6.326 1.00 0.00 N ATOM 1397 CA LEU A 92 -1.123 1.687 -6.455 1.00 0.00 C ATOM 1398 C LEU A 92 -1.397 0.246 -6.018 1.00 0.00 C ATOM 1399 O LEU A 92 -1.391 -0.668 -6.841 1.00 0.00 O ATOM 1400 CB LEU A 92 0.025 2.352 -5.693 1.00 0.00 C ATOM 1401 CG LEU A 92 0.774 3.458 -6.439 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.725 4.205 -5.502 1.00 0.00 C ATOM 1403 CD2 LEU A 92 1.499 2.898 -7.665 1.00 0.00 C ATOM 0 H LEU A 92 -2.286 3.237 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.804 1.650 -7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.373 2.770 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.742 1.581 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 92 0.043 4.182 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.245 4.986 -6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.155 4.656 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.453 3.506 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.023 3.705 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.217 2.141 -7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.773 2.449 -8.343 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.632 0.089 -4.724 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.908 -1.225 -4.167 1.00 0.00 C ATOM 1417 C VAL A 93 -2.818 -1.998 -5.124 1.00 0.00 C ATOM 1418 O VAL A 93 -2.666 -3.207 -5.290 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.499 -1.084 -2.763 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.467 -2.421 -2.019 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.772 0.003 -1.969 1.00 0.00 C ATOM 0 H VAL A 93 -1.637 0.850 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.986 -1.797 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.541 -0.782 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.893 -2.294 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.049 -3.159 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.436 -2.764 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.212 0.083 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.717 -0.256 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.869 0.958 -2.486 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.744 -1.268 -5.729 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.679 -1.870 -6.664 1.00 0.00 C ATOM 1433 C PHE A 94 -3.948 -2.426 -7.888 1.00 0.00 C ATOM 1434 O PHE A 94 -4.178 -3.566 -8.288 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.635 -0.764 -7.116 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.066 -1.243 -7.367 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.387 -1.834 -8.550 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.017 -1.078 -6.409 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -8.715 -2.278 -8.783 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.345 -1.523 -6.642 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.666 -2.114 -7.825 1.00 0.00 C ATOM 0 H PHE A 94 -3.867 -0.265 -5.590 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.207 -2.693 -6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.653 0.019 -6.358 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.248 -0.314 -8.030 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.632 -1.965 -9.311 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.762 -0.608 -5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.970 -2.746 -9.722 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.100 -1.393 -5.881 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.676 -2.453 -8.003 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.081 -1.595 -8.448 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.314 -1.989 -9.618 1.00 0.00 C ATOM 1453 C GLN A 95 -1.203 -2.963 -9.221 1.00 0.00 C ATOM 1454 O GLN A 95 -1.007 -3.986 -9.875 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.741 -0.766 -10.336 1.00 0.00 C ATOM 1456 CG GLN A 95 -0.354 -0.413 -9.794 1.00 0.00 C ATOM 1457 CD GLN A 95 0.248 0.770 -10.556 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.449 1.582 -11.143 1.00 0.00 O ATOM 1459 NE2 GLN A 95 1.576 0.821 -10.514 1.00 0.00 N ATOM 0 H GLN A 95 -2.893 -0.650 -8.113 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.983 -2.496 -10.313 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.678 -0.964 -11.406 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.412 0.083 -10.208 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.425 -0.169 -8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.304 -1.278 -9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.098 0.108 -10.004 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.073 1.573 -10.992 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.505 -2.611 -8.151 1.00 0.00 N ATOM 1469 CA LEU A 96 0.581 -3.441 -7.660 1.00 0.00 C ATOM 1470 C LEU A 96 0.051 -4.847 -7.370 1.00 0.00 C ATOM 1471 O LEU A 96 0.187 -5.748 -8.197 1.00 0.00 O ATOM 1472 CB LEU A 96 1.259 -2.780 -6.458 1.00 0.00 C ATOM 1473 CG LEU A 96 2.354 -1.762 -6.782 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.326 -2.316 -7.826 1.00 0.00 C ATOM 1475 CD2 LEU A 96 1.750 -0.425 -7.214 1.00 0.00 C ATOM 0 H LEU A 96 -0.671 -1.762 -7.611 1.00 0.00 H new ATOM 0 HA LEU A 96 1.357 -3.542 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.493 -2.283 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.691 -3.562 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 96 2.928 -1.577 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.094 -1.573 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.794 -3.222 -7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.783 -2.548 -8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.550 0.280 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.137 -0.573 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.132 -0.028 -6.409 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.540 -4.992 -6.193 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.090 -6.273 -5.785 1.00 0.00 C ATOM 1489 C ALA A 97 -2.035 -6.788 -6.872 1.00 0.00 C ATOM 1490 O ALA A 97 -1.871 -7.902 -7.366 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.787 -6.121 -4.431 1.00 0.00 C ATOM 0 H ALA A 97 -0.650 -4.243 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.296 -7.010 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.200 -7.082 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.066 -5.782 -3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.592 -5.391 -4.516 1.00 0.00 H new ATOM 1497 N GLY A 98 -3.004 -5.951 -7.214 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.975 -6.307 -8.234 1.00 0.00 C ATOM 1499 C GLY A 98 -5.395 -6.310 -7.663 1.00 0.00 C ATOM 1500 O GLY A 98 -6.042 -7.355 -7.605 1.00 0.00 O ATOM 0 H GLY A 98 -3.137 -5.027 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.914 -5.600 -9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.739 -7.292 -8.637 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.837 -5.130 -7.255 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.167 -4.983 -6.690 1.00 0.00 C ATOM 1506 C GLY A 99 -8.224 -5.595 -7.611 1.00 0.00 C ATOM 1507 O GLY A 99 -8.021 -5.688 -8.821 1.00 0.00 O ATOM 0 H GLY A 99 -5.297 -4.266 -7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.207 -5.466 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.384 -3.927 -6.532 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.331 -5.998 -7.004 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.421 -6.598 -7.754 1.00 0.00 C ATOM 1513 C ILE A 100 -11.557 -5.583 -7.897 1.00 0.00 C ATOM 1514 O ILE A 100 -11.816 -4.804 -6.982 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.852 -7.917 -7.109 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -11.440 -7.680 -5.717 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.694 -8.917 -7.080 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -12.130 -8.941 -5.191 1.00 0.00 C ATOM 0 H ILE A 100 -9.496 -5.921 -6.000 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.094 -6.854 -8.762 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.640 -8.355 -7.721 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.648 -7.381 -5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.156 -6.859 -5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.027 -9.846 -6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.361 -9.118 -8.098 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.868 -8.500 -6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.539 -8.745 -4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.937 -9.223 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.406 -9.754 -5.131 1.00 0.00 H new