USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 676 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 7 SER OG : rot 70:sc= 1.34 USER MOD Set 1.2: A 56 GLN : amide:sc= 0.882 K(o=2.2,f=0.18) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc=-0.00287 (180deg=-0.158) USER MOD Single : A 6 SER OG : rot 155:sc= -1.33 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 100:sc= 0.00727 USER MOD Single : A 21 MET CE :methyl -149:sc= -2.04 (180deg=-7.04!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -67:sc= 1.16 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 75:sc= 0.341 USER MOD Single : A 41 SER OG : rot -90:sc= -3.5! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.95 K(o=-0.95,f=-3.1) USER MOD Single : A 57 CYS SG : rot -15:sc= 0.44 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 130:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 75:sc= 1.08 USER MOD Single : A 83 MET CE :methyl 137:sc= -2.67 (180deg=-10.2!) USER MOD Single : A 89 ASN : amide:sc= -2.14 X(o=-2.1,f=-2.6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 7.938 -0.142 0.459 1.00 0.00 N ATOM 66 CA LYS A 5 6.702 -0.858 0.721 1.00 0.00 C ATOM 67 C LYS A 5 6.005 -1.167 -0.605 1.00 0.00 C ATOM 68 O LYS A 5 6.435 -0.700 -1.660 1.00 0.00 O ATOM 69 CB LYS A 5 5.830 -0.078 1.706 1.00 0.00 C ATOM 70 CG LYS A 5 6.409 -0.140 3.121 1.00 0.00 C ATOM 71 CD LYS A 5 5.582 -1.070 4.011 1.00 0.00 C ATOM 72 CE LYS A 5 4.200 -0.476 4.289 1.00 0.00 C ATOM 73 NZ LYS A 5 4.308 0.681 5.206 1.00 0.00 N ATOM 0 HA LYS A 5 6.910 -1.814 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.754 0.961 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.819 -0.487 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.440 -0.491 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.429 0.860 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.474 -2.041 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.105 -1.239 4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.737 -0.164 3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.553 -1.236 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.365 0.924 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.935 0.438 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.700 1.496 4.692 1.00 0.00 H new ATOM 87 N SER A 6 4.942 -1.952 -0.510 1.00 0.00 N ATOM 88 CA SER A 6 4.182 -2.328 -1.690 1.00 0.00 C ATOM 89 C SER A 6 2.745 -2.680 -1.297 1.00 0.00 C ATOM 90 O SER A 6 2.429 -2.776 -0.111 1.00 0.00 O ATOM 91 CB SER A 6 4.837 -3.505 -2.415 1.00 0.00 C ATOM 92 OG SER A 6 5.550 -3.087 -3.576 1.00 0.00 O ATOM 0 H SER A 6 4.589 -2.338 0.366 1.00 0.00 H new ATOM 0 HA SER A 6 4.168 -1.478 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.519 -4.015 -1.735 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.071 -4.227 -2.700 1.00 0.00 H new ATOM 0 HG SER A 6 6.259 -3.733 -3.775 1.00 0.00 H new ATOM 98 N SER A 7 1.916 -2.863 -2.313 1.00 0.00 N ATOM 99 CA SER A 7 0.521 -3.203 -2.089 1.00 0.00 C ATOM 100 C SER A 7 0.148 -4.446 -2.898 1.00 0.00 C ATOM 101 O SER A 7 0.648 -4.645 -4.004 1.00 0.00 O ATOM 102 CB SER A 7 -0.397 -2.035 -2.457 1.00 0.00 C ATOM 103 OG SER A 7 -1.726 -2.468 -2.731 1.00 0.00 O ATOM 0 H SER A 7 2.183 -2.782 -3.294 1.00 0.00 H new ATOM 0 HA SER A 7 0.387 -3.415 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.412 -1.314 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.004 -1.520 -3.330 1.00 0.00 H new ATOM 0 HG SER A 7 -2.152 -2.762 -1.899 1.00 0.00 H new ATOM 109 N ILE A 8 -0.726 -5.253 -2.314 1.00 0.00 N ATOM 110 CA ILE A 8 -1.172 -6.472 -2.967 1.00 0.00 C ATOM 111 C ILE A 8 -2.696 -6.568 -2.874 1.00 0.00 C ATOM 112 O ILE A 8 -3.258 -6.535 -1.782 1.00 0.00 O ATOM 113 CB ILE A 8 -0.443 -7.687 -2.389 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.069 -7.562 -2.581 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.991 -8.987 -2.979 1.00 0.00 C ATOM 116 CD1 ILE A 8 1.682 -6.636 -1.529 1.00 0.00 C ATOM 0 H ILE A 8 -1.137 -5.086 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.918 -6.451 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.629 -7.718 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.530 -8.548 -2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.282 -7.176 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.456 -9.835 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.052 -9.073 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.856 -8.981 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.758 -6.565 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.237 -5.645 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.489 -7.037 -0.534 1.00 0.00 H new ATOM 128 N LEU A 9 -3.322 -6.684 -4.037 1.00 0.00 N ATOM 129 CA LEU A 9 -4.769 -6.784 -4.101 1.00 0.00 C ATOM 130 C LEU A 9 -5.175 -8.260 -4.103 1.00 0.00 C ATOM 131 O LEU A 9 -5.100 -8.926 -5.135 1.00 0.00 O ATOM 132 CB LEU A 9 -5.309 -5.997 -5.296 1.00 0.00 C ATOM 133 CG LEU A 9 -6.821 -5.768 -5.321 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.234 -4.709 -4.297 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.300 -5.419 -6.732 1.00 0.00 C ATOM 0 H LEU A 9 -2.852 -6.711 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.221 -6.329 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.814 -5.026 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.026 -6.521 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.311 -6.699 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.314 -4.566 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.948 -5.038 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.735 -3.767 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.378 -5.261 -6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.804 -4.509 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.060 -6.237 -7.411 1.00 0.00 H new ATOM 147 N LEU A 10 -5.594 -8.728 -2.937 1.00 0.00 N ATOM 148 CA LEU A 10 -6.011 -10.112 -2.791 1.00 0.00 C ATOM 149 C LEU A 10 -7.477 -10.245 -3.209 1.00 0.00 C ATOM 150 O LEU A 10 -8.260 -9.310 -3.046 1.00 0.00 O ATOM 151 CB LEU A 10 -5.728 -10.611 -1.373 1.00 0.00 C ATOM 152 CG LEU A 10 -4.287 -11.040 -1.088 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.376 -9.824 -0.915 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.223 -11.981 0.116 1.00 0.00 C ATOM 0 H LEU A 10 -5.654 -8.173 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.431 -10.756 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.997 -9.822 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.385 -11.456 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.920 -11.596 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.358 -10.158 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.388 -9.227 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.731 -9.219 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.188 -12.271 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.617 -11.473 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.819 -12.871 -0.086 1.00 0.00 H new ATOM 166 N ASP A 11 -7.803 -11.414 -3.739 1.00 0.00 N ATOM 167 CA ASP A 11 -9.162 -11.682 -4.182 1.00 0.00 C ATOM 168 C ASP A 11 -9.619 -13.031 -3.624 1.00 0.00 C ATOM 169 O ASP A 11 -9.237 -14.082 -4.138 1.00 0.00 O ATOM 170 CB ASP A 11 -9.240 -11.751 -5.709 1.00 0.00 C ATOM 171 CG ASP A 11 -10.557 -12.297 -6.264 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.525 -12.510 -5.518 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.565 -12.509 -7.536 1.00 0.00 O ATOM 0 H ASP A 11 -7.151 -12.187 -3.872 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.799 -10.873 -3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.080 -10.751 -6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.423 -12.375 -6.072 1.00 0.00 H new ATOM 178 N VAL A 12 -10.430 -12.958 -2.578 1.00 0.00 N ATOM 179 CA VAL A 12 -10.943 -14.160 -1.944 1.00 0.00 C ATOM 180 C VAL A 12 -12.384 -14.397 -2.401 1.00 0.00 C ATOM 181 O VAL A 12 -13.097 -13.452 -2.731 1.00 0.00 O ATOM 182 CB VAL A 12 -10.809 -14.049 -0.424 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.227 -15.352 0.261 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.385 -13.653 -0.027 1.00 0.00 C ATOM 0 H VAL A 12 -10.744 -12.085 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.359 -15.029 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.483 -13.262 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.122 -15.245 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.266 -15.574 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.591 -16.166 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.317 -13.581 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.684 -14.407 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.138 -12.688 -0.471 1.00 0.00 H new ATOM 194 N LYS A 13 -12.768 -15.665 -2.405 1.00 0.00 N ATOM 195 CA LYS A 13 -14.111 -16.039 -2.817 1.00 0.00 C ATOM 196 C LYS A 13 -14.869 -16.607 -1.615 1.00 0.00 C ATOM 197 O LYS A 13 -14.350 -17.460 -0.896 1.00 0.00 O ATOM 198 CB LYS A 13 -14.060 -16.988 -4.016 1.00 0.00 C ATOM 199 CG LYS A 13 -15.141 -16.636 -5.040 1.00 0.00 C ATOM 200 CD LYS A 13 -14.555 -16.557 -6.451 1.00 0.00 C ATOM 201 CE LYS A 13 -15.657 -16.639 -7.508 1.00 0.00 C ATOM 202 NZ LYS A 13 -15.200 -16.038 -8.781 1.00 0.00 N ATOM 0 H LYS A 13 -12.173 -16.446 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.662 -15.163 -3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.078 -16.934 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.195 -18.015 -3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.931 -17.386 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.598 -15.682 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.003 -15.624 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.843 -17.369 -6.599 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.937 -17.680 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.548 -16.121 -7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.960 -16.102 -9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.955 -15.039 -8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.363 -16.550 -9.126 1.00 0.00 H new ATOM 216 N PRO A 14 -16.116 -16.098 -1.428 1.00 0.00 N ATOM 217 CA PRO A 14 -16.949 -16.546 -0.326 1.00 0.00 C ATOM 218 C PRO A 14 -17.521 -17.939 -0.601 1.00 0.00 C ATOM 219 O PRO A 14 -17.653 -18.343 -1.756 1.00 0.00 O ATOM 220 CB PRO A 14 -18.024 -15.480 -0.187 1.00 0.00 C ATOM 221 CG PRO A 14 -18.029 -14.720 -1.504 1.00 0.00 C ATOM 222 CD PRO A 14 -16.763 -15.087 -2.259 1.00 0.00 C ATOM 0 HA PRO A 14 -16.392 -16.655 0.604 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.997 -15.930 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.808 -14.814 0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.911 -14.978 -2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.068 -13.646 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.992 -15.477 -3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.120 -14.218 -2.399 1.00 0.00 H new ATOM 230 N TRP A 15 -17.845 -18.635 0.479 1.00 0.00 N ATOM 231 CA TRP A 15 -18.399 -19.974 0.369 1.00 0.00 C ATOM 232 C TRP A 15 -19.788 -19.859 -0.263 1.00 0.00 C ATOM 233 O TRP A 15 -20.293 -20.823 -0.836 1.00 0.00 O ATOM 234 CB TRP A 15 -18.417 -20.673 1.729 1.00 0.00 C ATOM 235 CG TRP A 15 -17.344 -21.754 1.887 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.518 -21.952 2.923 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.014 -22.783 0.930 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.683 -23.028 2.706 1.00 0.00 N ATOM 239 CE2 TRP A 15 -15.995 -23.550 1.456 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.559 -23.057 -0.337 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.431 -24.641 0.783 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.985 -24.151 -0.996 1.00 0.00 C ATOM 243 CH2 TRP A 15 -15.958 -24.933 -0.480 1.00 0.00 C ATOM 0 H TRP A 15 -17.734 -18.297 1.435 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.776 -20.599 -0.270 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.284 -19.926 2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.398 -21.124 1.882 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.507 -21.345 3.816 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.968 -23.376 3.345 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.357 -22.470 -0.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.632 -25.225 1.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.367 -24.405 -1.974 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.568 -25.762 -1.052 1.00 0.00 H new ATOM 254 N ASP A 16 -20.366 -18.673 -0.135 1.00 0.00 N ATOM 255 CA ASP A 16 -21.686 -18.421 -0.687 1.00 0.00 C ATOM 256 C ASP A 16 -22.224 -17.103 -0.126 1.00 0.00 C ATOM 257 O ASP A 16 -21.634 -16.524 0.784 1.00 0.00 O ATOM 258 CB ASP A 16 -22.664 -19.532 -0.302 1.00 0.00 C ATOM 259 CG ASP A 16 -22.999 -20.516 -1.424 1.00 0.00 C ATOM 260 OD1 ASP A 16 -23.578 -20.139 -2.453 1.00 0.00 O ATOM 261 OD2 ASP A 16 -22.634 -21.734 -1.207 1.00 0.00 O ATOM 0 H ASP A 16 -19.944 -17.877 0.343 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.596 -18.379 -1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.246 -20.089 0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.590 -19.075 0.049 1.00 0.00 H new ATOM 266 N ASP A 17 -23.339 -16.666 -0.695 1.00 0.00 N ATOM 267 CA ASP A 17 -23.962 -15.427 -0.265 1.00 0.00 C ATOM 268 C ASP A 17 -24.020 -15.394 1.265 1.00 0.00 C ATOM 269 O ASP A 17 -24.028 -14.321 1.866 1.00 0.00 O ATOM 270 CB ASP A 17 -25.394 -15.319 -0.793 1.00 0.00 C ATOM 271 CG ASP A 17 -26.069 -16.654 -1.112 1.00 0.00 C ATOM 272 OD1 ASP A 17 -25.927 -17.636 -0.367 1.00 0.00 O ATOM 273 OD2 ASP A 17 -26.775 -16.664 -2.192 1.00 0.00 O ATOM 0 H ASP A 17 -23.826 -17.149 -1.450 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.370 -14.599 -0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.998 -14.791 -0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.387 -14.708 -1.696 1.00 0.00 H new ATOM 278 N GLU A 18 -24.058 -16.583 1.849 1.00 0.00 N ATOM 279 CA GLU A 18 -24.114 -16.704 3.296 1.00 0.00 C ATOM 280 C GLU A 18 -22.897 -16.029 3.933 1.00 0.00 C ATOM 281 O GLU A 18 -23.038 -15.241 4.866 1.00 0.00 O ATOM 282 CB GLU A 18 -24.212 -18.170 3.720 1.00 0.00 C ATOM 283 CG GLU A 18 -22.911 -18.917 3.417 1.00 0.00 C ATOM 284 CD GLU A 18 -23.088 -20.425 3.610 1.00 0.00 C ATOM 285 OE1 GLU A 18 -24.219 -20.929 3.555 1.00 0.00 O ATOM 286 OE2 GLU A 18 -21.995 -21.079 3.821 1.00 0.00 O ATOM 0 H GLU A 18 -24.051 -17.471 1.347 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.012 -16.197 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.430 -18.230 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.040 -18.649 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.599 -18.712 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.118 -18.554 4.070 1.00 0.00 H new ATOM 293 N THR A 19 -21.731 -16.364 3.402 1.00 0.00 N ATOM 294 CA THR A 19 -20.489 -15.799 3.907 1.00 0.00 C ATOM 295 C THR A 19 -20.644 -14.296 4.143 1.00 0.00 C ATOM 296 O THR A 19 -20.616 -13.510 3.197 1.00 0.00 O ATOM 297 CB THR A 19 -19.374 -16.148 2.918 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.099 -17.523 3.176 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.060 -15.437 3.243 1.00 0.00 C ATOM 0 H THR A 19 -21.619 -17.019 2.628 1.00 0.00 H new ATOM 0 HA THR A 19 -20.227 -16.223 4.877 1.00 0.00 H new ATOM 0 HB THR A 19 -19.689 -15.884 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.548 -18.078 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.303 -15.719 2.511 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.212 -14.358 3.210 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.727 -15.726 4.240 1.00 0.00 H new ATOM 307 N ASP A 20 -20.804 -13.942 5.409 1.00 0.00 N ATOM 308 CA ASP A 20 -20.962 -12.546 5.781 1.00 0.00 C ATOM 309 C ASP A 20 -19.856 -11.719 5.125 1.00 0.00 C ATOM 310 O ASP A 20 -18.706 -11.762 5.557 1.00 0.00 O ATOM 311 CB ASP A 20 -20.855 -12.365 7.296 1.00 0.00 C ATOM 312 CG ASP A 20 -22.007 -11.589 7.939 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.273 -10.453 7.390 1.00 0.00 O ATOM 314 OD2 ASP A 20 -22.619 -12.049 8.914 1.00 0.00 O ATOM 0 H ASP A 20 -20.828 -14.597 6.190 1.00 0.00 H new ATOM 0 HA ASP A 20 -21.946 -12.217 5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.796 -13.349 7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.921 -11.850 7.520 1.00 0.00 H new ATOM 319 N MET A 21 -20.243 -10.984 4.092 1.00 0.00 N ATOM 320 CA MET A 21 -19.298 -10.148 3.373 1.00 0.00 C ATOM 321 C MET A 21 -18.812 -8.991 4.248 1.00 0.00 C ATOM 322 O MET A 21 -17.744 -8.431 4.006 1.00 0.00 O ATOM 323 CB MET A 21 -19.965 -9.591 2.113 1.00 0.00 C ATOM 324 CG MET A 21 -20.046 -10.657 1.018 1.00 0.00 C ATOM 325 SD MET A 21 -19.770 -9.913 -0.580 1.00 0.00 S ATOM 326 CE MET A 21 -18.672 -11.122 -1.300 1.00 0.00 C ATOM 0 H MET A 21 -21.198 -10.951 3.736 1.00 0.00 H new ATOM 0 HA MET A 21 -18.437 -10.758 3.100 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.967 -9.236 2.354 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.402 -8.732 1.748 1.00 0.00 H new ATOM 0 HG2 MET A 21 -19.303 -11.434 1.200 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.023 -11.139 1.040 1.00 0.00 H new ATOM 0 HE1 MET A 21 -17.989 -10.628 -1.991 1.00 0.00 H new ATOM 0 HE2 MET A 21 -18.100 -11.610 -0.511 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.256 -11.868 -1.839 1.00 0.00 H new ATOM 336 N ALA A 22 -19.620 -8.667 5.247 1.00 0.00 N ATOM 337 CA ALA A 22 -19.287 -7.587 6.159 1.00 0.00 C ATOM 338 C ALA A 22 -18.221 -8.069 7.146 1.00 0.00 C ATOM 339 O ALA A 22 -17.323 -7.313 7.513 1.00 0.00 O ATOM 340 CB ALA A 22 -20.555 -7.101 6.862 1.00 0.00 C ATOM 0 H ALA A 22 -20.505 -9.134 5.445 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.873 -6.739 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.304 -6.291 7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.268 -6.742 6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.999 -7.924 7.422 1.00 0.00 H new ATOM 346 N LYS A 23 -18.357 -9.325 7.547 1.00 0.00 N ATOM 347 CA LYS A 23 -17.419 -9.917 8.484 1.00 0.00 C ATOM 348 C LYS A 23 -16.117 -10.252 7.752 1.00 0.00 C ATOM 349 O LYS A 23 -15.029 -9.963 8.249 1.00 0.00 O ATOM 350 CB LYS A 23 -18.052 -11.116 9.192 1.00 0.00 C ATOM 351 CG LYS A 23 -17.572 -11.214 10.642 1.00 0.00 C ATOM 352 CD LYS A 23 -18.725 -10.970 11.618 1.00 0.00 C ATOM 353 CE LYS A 23 -18.202 -10.487 12.972 1.00 0.00 C ATOM 354 NZ LYS A 23 -18.707 -11.354 14.061 1.00 0.00 N ATOM 0 H LYS A 23 -19.103 -9.949 7.239 1.00 0.00 H new ATOM 0 HA LYS A 23 -17.169 -9.207 9.272 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.138 -11.024 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.799 -12.033 8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.142 -12.199 10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.781 -10.484 10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.408 -10.229 11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.295 -11.890 11.751 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.112 -10.492 12.971 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.516 -9.457 13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.343 -11.013 14.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.747 -11.328 14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.387 -12.331 13.904 1.00 0.00 H new ATOM 368 N LEU A 24 -16.272 -10.856 6.583 1.00 0.00 N ATOM 369 CA LEU A 24 -15.122 -11.233 5.778 1.00 0.00 C ATOM 370 C LEU A 24 -14.309 -9.982 5.441 1.00 0.00 C ATOM 371 O LEU A 24 -13.079 -10.010 5.468 1.00 0.00 O ATOM 372 CB LEU A 24 -15.566 -12.028 4.549 1.00 0.00 C ATOM 373 CG LEU A 24 -14.761 -13.292 4.241 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.438 -14.120 3.147 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.313 -12.947 3.886 1.00 0.00 C ATOM 0 H LEU A 24 -17.176 -11.094 6.174 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.466 -11.898 6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.611 -12.310 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.520 -11.371 3.680 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.734 -13.908 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.845 -15.013 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.435 -14.412 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.517 -13.525 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.763 -13.863 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.298 -12.301 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.846 -12.431 4.725 1.00 0.00 H new ATOM 387 N GLU A 25 -15.028 -8.914 5.129 1.00 0.00 N ATOM 388 CA GLU A 25 -14.389 -7.655 4.786 1.00 0.00 C ATOM 389 C GLU A 25 -13.849 -6.973 6.045 1.00 0.00 C ATOM 390 O GLU A 25 -12.841 -6.270 5.991 1.00 0.00 O ATOM 391 CB GLU A 25 -15.355 -6.735 4.036 1.00 0.00 C ATOM 392 CG GLU A 25 -14.604 -5.590 3.353 1.00 0.00 C ATOM 393 CD GLU A 25 -15.409 -4.291 3.418 1.00 0.00 C ATOM 394 OE1 GLU A 25 -16.520 -4.222 2.871 1.00 0.00 O ATOM 395 OE2 GLU A 25 -14.844 -3.330 4.066 1.00 0.00 O ATOM 0 H GLU A 25 -16.048 -8.895 5.107 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.551 -7.866 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.905 -7.309 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.090 -6.329 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.636 -5.447 3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.408 -5.849 2.313 1.00 0.00 H new ATOM 402 N GLU A 26 -14.544 -7.204 7.149 1.00 0.00 N ATOM 403 CA GLU A 26 -14.148 -6.621 8.419 1.00 0.00 C ATOM 404 C GLU A 26 -12.936 -7.362 8.987 1.00 0.00 C ATOM 405 O GLU A 26 -11.863 -6.780 9.136 1.00 0.00 O ATOM 406 CB GLU A 26 -15.311 -6.630 9.413 1.00 0.00 C ATOM 407 CG GLU A 26 -14.800 -6.630 10.855 1.00 0.00 C ATOM 408 CD GLU A 26 -15.706 -5.791 11.758 1.00 0.00 C ATOM 409 OE1 GLU A 26 -15.923 -4.601 11.484 1.00 0.00 O ATOM 410 OE2 GLU A 26 -16.192 -6.416 12.777 1.00 0.00 O ATOM 0 H GLU A 26 -15.380 -7.787 7.190 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.868 -5.582 8.248 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.942 -5.757 9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.932 -7.510 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.755 -7.653 11.229 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.785 -6.235 10.885 1.00 0.00 H new ATOM 417 N CYS A 27 -13.148 -8.635 9.291 1.00 0.00 N ATOM 418 CA CYS A 27 -12.086 -9.461 9.839 1.00 0.00 C ATOM 419 C CYS A 27 -10.794 -9.149 9.080 1.00 0.00 C ATOM 420 O CYS A 27 -9.799 -8.747 9.681 1.00 0.00 O ATOM 421 CB CYS A 27 -12.438 -10.948 9.779 1.00 0.00 C ATOM 422 SG CYS A 27 -12.625 -11.615 11.472 1.00 0.00 S ATOM 0 H CYS A 27 -14.040 -9.114 9.168 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.950 -9.229 10.895 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.363 -11.089 9.219 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -11.658 -11.494 9.248 1.00 0.00 H new ATOM 0 HG CYS A 27 -12.926 -12.878 11.410 1.00 0.00 H new ATOM 428 N VAL A 28 -10.853 -9.346 7.771 1.00 0.00 N ATOM 429 CA VAL A 28 -9.700 -9.091 6.924 1.00 0.00 C ATOM 430 C VAL A 28 -9.000 -7.814 7.394 1.00 0.00 C ATOM 431 O VAL A 28 -7.779 -7.792 7.546 1.00 0.00 O ATOM 432 CB VAL A 28 -10.132 -9.030 5.457 1.00 0.00 C ATOM 433 CG1 VAL A 28 -9.250 -8.061 4.667 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.119 -10.424 4.824 1.00 0.00 C ATOM 0 H VAL A 28 -11.681 -9.679 7.276 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.980 -9.905 7.004 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.155 -8.656 5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.577 -8.036 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.330 -7.063 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.213 -8.393 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.430 -10.353 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.112 -10.837 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.806 -11.075 5.364 1.00 0.00 H new ATOM 444 N ARG A 29 -9.801 -6.784 7.612 1.00 0.00 N ATOM 445 CA ARG A 29 -9.274 -5.507 8.062 1.00 0.00 C ATOM 446 C ARG A 29 -8.747 -5.624 9.493 1.00 0.00 C ATOM 447 O ARG A 29 -7.690 -5.084 9.816 1.00 0.00 O ATOM 448 CB ARG A 29 -10.347 -4.417 8.009 1.00 0.00 C ATOM 449 CG ARG A 29 -9.942 -3.294 7.052 1.00 0.00 C ATOM 450 CD ARG A 29 -10.700 -2.004 7.369 1.00 0.00 C ATOM 451 NE ARG A 29 -9.848 -1.102 8.177 1.00 0.00 N ATOM 452 CZ ARG A 29 -10.070 0.211 8.321 1.00 0.00 C ATOM 453 NH1 ARG A 29 -11.116 0.785 7.713 1.00 0.00 N ATOM 454 NH2 ARG A 29 -9.245 0.951 9.074 1.00 0.00 N ATOM 0 H ARG A 29 -10.813 -6.807 7.485 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.459 -5.232 7.392 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.294 -4.850 7.687 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.506 -4.009 9.007 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.869 -3.117 7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.145 -3.596 6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.994 -1.508 6.444 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.617 -2.235 7.912 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.042 -1.506 8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.744 0.222 7.140 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.284 1.785 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.448 0.514 9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.414 1.951 9.184 1.00 0.00 H new ATOM 468 N SER A 30 -9.508 -6.335 10.313 1.00 0.00 N ATOM 469 CA SER A 30 -9.131 -6.530 11.703 1.00 0.00 C ATOM 470 C SER A 30 -7.701 -7.067 11.786 1.00 0.00 C ATOM 471 O SER A 30 -6.956 -6.721 12.702 1.00 0.00 O ATOM 472 CB SER A 30 -10.098 -7.485 12.407 1.00 0.00 C ATOM 473 OG SER A 30 -9.648 -8.836 12.354 1.00 0.00 O ATOM 0 H SER A 30 -10.383 -6.783 10.041 1.00 0.00 H new ATOM 0 HA SER A 30 -9.181 -5.566 12.210 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.213 -7.182 13.448 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.082 -7.412 11.943 1.00 0.00 H new ATOM 0 HG SER A 30 -9.670 -9.152 11.427 1.00 0.00 H new ATOM 479 N ILE A 31 -7.359 -7.905 10.818 1.00 0.00 N ATOM 480 CA ILE A 31 -6.031 -8.493 10.770 1.00 0.00 C ATOM 481 C ILE A 31 -4.983 -7.387 10.907 1.00 0.00 C ATOM 482 O ILE A 31 -5.007 -6.407 10.163 1.00 0.00 O ATOM 483 CB ILE A 31 -5.866 -9.342 9.508 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.853 -10.512 9.502 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.419 -9.811 9.349 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.855 -11.221 8.146 1.00 0.00 C ATOM 0 H ILE A 31 -7.979 -8.191 10.060 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.887 -9.176 11.607 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.099 -8.720 8.644 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.587 -11.221 10.286 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.855 -10.148 9.728 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.329 -10.412 8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.762 -8.945 9.276 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.134 -10.411 10.213 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.565 -12.048 8.169 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.145 -10.516 7.367 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.857 -11.605 7.935 1.00 0.00 H new ATOM 498 N GLN A 32 -4.089 -7.579 11.865 1.00 0.00 N ATOM 499 CA GLN A 32 -3.033 -6.610 12.110 1.00 0.00 C ATOM 500 C GLN A 32 -1.669 -7.304 12.126 1.00 0.00 C ATOM 501 O GLN A 32 -1.573 -8.485 12.451 1.00 0.00 O ATOM 502 CB GLN A 32 -3.278 -5.851 13.416 1.00 0.00 C ATOM 503 CG GLN A 32 -3.042 -4.352 13.231 1.00 0.00 C ATOM 504 CD GLN A 32 -2.410 -3.738 14.483 1.00 0.00 C ATOM 505 OE1 GLN A 32 -1.220 -3.849 14.727 1.00 0.00 O ATOM 506 NE2 GLN A 32 -3.270 -3.087 15.259 1.00 0.00 N ATOM 0 H GLN A 32 -4.073 -8.391 12.482 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.039 -5.882 11.299 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.300 -6.023 13.754 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.616 -6.234 14.193 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.392 -4.186 12.372 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.988 -3.855 13.016 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.254 -3.032 14.996 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.946 -2.642 16.118 1.00 0.00 H new ATOM 515 N ALA A 33 -0.648 -6.537 11.769 1.00 0.00 N ATOM 516 CA ALA A 33 0.706 -7.063 11.740 1.00 0.00 C ATOM 517 C ALA A 33 1.687 -5.918 11.477 1.00 0.00 C ATOM 518 O ALA A 33 1.308 -4.885 10.929 1.00 0.00 O ATOM 519 CB ALA A 33 0.802 -8.166 10.684 1.00 0.00 C ATOM 0 H ALA A 33 -0.732 -5.557 11.498 1.00 0.00 H new ATOM 0 HA ALA A 33 0.966 -7.507 12.701 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.818 -8.561 10.662 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.106 -8.968 10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.551 -7.756 9.706 1.00 0.00 H new ATOM 525 N ASP A 34 2.929 -6.141 11.881 1.00 0.00 N ATOM 526 CA ASP A 34 3.967 -5.141 11.697 1.00 0.00 C ATOM 527 C ASP A 34 4.196 -4.920 10.200 1.00 0.00 C ATOM 528 O ASP A 34 4.355 -5.878 9.445 1.00 0.00 O ATOM 529 CB ASP A 34 5.289 -5.599 12.316 1.00 0.00 C ATOM 530 CG ASP A 34 6.159 -4.477 12.885 1.00 0.00 C ATOM 531 OD1 ASP A 34 6.427 -3.523 12.059 1.00 0.00 O ATOM 532 OD2 ASP A 34 6.562 -4.513 14.057 1.00 0.00 O ATOM 0 H ASP A 34 3.240 -7.000 12.335 1.00 0.00 H new ATOM 0 HA ASP A 34 3.641 -4.222 12.184 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.073 -6.310 13.113 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.862 -6.134 11.558 1.00 0.00 H new ATOM 537 N GLY A 35 4.207 -3.653 9.817 1.00 0.00 N ATOM 538 CA GLY A 35 4.414 -3.294 8.424 1.00 0.00 C ATOM 539 C GLY A 35 3.200 -3.671 7.574 1.00 0.00 C ATOM 540 O GLY A 35 3.250 -3.599 6.347 1.00 0.00 O ATOM 0 H GLY A 35 4.076 -2.861 10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.599 -2.223 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.301 -3.800 8.042 1.00 0.00 H new ATOM 544 N LEU A 36 2.137 -4.065 8.260 1.00 0.00 N ATOM 545 CA LEU A 36 0.911 -4.453 7.583 1.00 0.00 C ATOM 546 C LEU A 36 -0.095 -3.303 7.659 1.00 0.00 C ATOM 547 O LEU A 36 -0.416 -2.827 8.747 1.00 0.00 O ATOM 548 CB LEU A 36 0.382 -5.772 8.149 1.00 0.00 C ATOM 549 CG LEU A 36 -0.849 -6.355 7.452 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.442 -7.302 6.321 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.781 -7.032 8.459 1.00 0.00 C ATOM 0 H LEU A 36 2.099 -4.124 9.278 1.00 0.00 H new ATOM 0 HA LEU A 36 1.102 -4.640 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.183 -6.510 8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.142 -5.623 9.202 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.406 -5.534 7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.336 -7.702 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.150 -6.757 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.150 -8.122 6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.648 -7.438 7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.249 -7.840 8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.111 -6.301 9.197 1.00 0.00 H new ATOM 563 N VAL A 37 -0.564 -2.890 6.492 1.00 0.00 N ATOM 564 CA VAL A 37 -1.528 -1.805 6.412 1.00 0.00 C ATOM 565 C VAL A 37 -2.690 -2.227 5.511 1.00 0.00 C ATOM 566 O VAL A 37 -2.477 -2.774 4.430 1.00 0.00 O ATOM 567 CB VAL A 37 -0.836 -0.526 5.938 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.863 0.541 5.555 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.133 0.000 6.999 1.00 0.00 C ATOM 0 H VAL A 37 -0.294 -3.287 5.592 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.943 -1.588 7.396 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.256 -0.769 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.346 1.441 5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.495 0.166 4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.482 0.778 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.611 0.910 6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.415 0.219 7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.894 -0.753 7.202 1.00 0.00 H new ATOM 579 N TRP A 38 -3.896 -1.956 5.990 1.00 0.00 N ATOM 580 CA TRP A 38 -5.093 -2.299 5.241 1.00 0.00 C ATOM 581 C TRP A 38 -5.628 -1.021 4.592 1.00 0.00 C ATOM 582 O TRP A 38 -6.535 -0.383 5.123 1.00 0.00 O ATOM 583 CB TRP A 38 -6.122 -2.989 6.139 1.00 0.00 C ATOM 584 CG TRP A 38 -5.830 -4.468 6.397 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.397 -5.038 7.531 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.966 -5.550 5.452 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.246 -6.402 7.385 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.604 -6.723 6.082 1.00 0.00 C ATOM 589 CE3 TRP A 38 -6.385 -5.537 4.109 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.622 -7.971 5.446 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -6.397 -6.792 3.489 1.00 0.00 C ATOM 592 CH2 TRP A 38 -6.033 -7.982 4.109 1.00 0.00 C ATOM 0 H TRP A 38 -4.069 -1.503 6.887 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.863 -3.018 4.455 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.164 -2.466 7.094 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.107 -2.898 5.682 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.192 -4.498 8.443 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.930 -7.055 8.102 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.674 -4.631 3.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.334 -8.876 5.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.711 -6.839 2.457 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.067 -8.912 3.560 1.00 0.00 H new ATOM 603 N GLY A 39 -5.042 -0.684 3.452 1.00 0.00 N ATOM 604 CA GLY A 39 -5.447 0.506 2.724 1.00 0.00 C ATOM 605 C GLY A 39 -6.973 0.627 2.678 1.00 0.00 C ATOM 606 O GLY A 39 -7.529 1.655 3.061 1.00 0.00 O ATOM 0 H GLY A 39 -4.289 -1.215 3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.022 1.390 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.051 0.469 1.709 1.00 0.00 H new ATOM 610 N SER A 40 -7.605 -0.437 2.207 1.00 0.00 N ATOM 611 CA SER A 40 -9.054 -0.464 2.106 1.00 0.00 C ATOM 612 C SER A 40 -9.491 -1.557 1.129 1.00 0.00 C ATOM 613 O SER A 40 -8.915 -1.697 0.051 1.00 0.00 O ATOM 614 CB SER A 40 -9.600 0.895 1.662 1.00 0.00 C ATOM 615 OG SER A 40 -10.236 1.590 2.731 1.00 0.00 O ATOM 0 H SER A 40 -7.140 -1.288 1.891 1.00 0.00 H new ATOM 0 HA SER A 40 -9.462 -0.685 3.093 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.785 1.502 1.269 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.311 0.752 0.849 1.00 0.00 H new ATOM 0 HG SER A 40 -9.556 1.948 3.339 1.00 0.00 H new ATOM 621 N SER A 41 -10.505 -2.303 1.541 1.00 0.00 N ATOM 622 CA SER A 41 -11.027 -3.380 0.715 1.00 0.00 C ATOM 623 C SER A 41 -12.054 -2.828 -0.276 1.00 0.00 C ATOM 624 O SER A 41 -12.506 -1.693 -0.139 1.00 0.00 O ATOM 625 CB SER A 41 -11.653 -4.479 1.575 1.00 0.00 C ATOM 626 OG SER A 41 -12.870 -4.053 2.182 1.00 0.00 O ATOM 0 H SER A 41 -10.980 -2.184 2.436 1.00 0.00 H new ATOM 0 HA SER A 41 -10.198 -3.820 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.843 -5.358 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.947 -4.780 2.349 1.00 0.00 H new ATOM 0 HG SER A 41 -12.677 -3.652 3.055 1.00 0.00 H new ATOM 632 N LYS A 42 -12.394 -3.660 -1.250 1.00 0.00 N ATOM 633 CA LYS A 42 -13.360 -3.270 -2.263 1.00 0.00 C ATOM 634 C LYS A 42 -14.309 -4.439 -2.533 1.00 0.00 C ATOM 635 O LYS A 42 -14.030 -5.572 -2.144 1.00 0.00 O ATOM 636 CB LYS A 42 -12.646 -2.756 -3.514 1.00 0.00 C ATOM 637 CG LYS A 42 -11.397 -3.587 -3.814 1.00 0.00 C ATOM 638 CD LYS A 42 -10.538 -2.918 -4.890 1.00 0.00 C ATOM 639 CE LYS A 42 -10.646 -3.666 -6.220 1.00 0.00 C ATOM 640 NZ LYS A 42 -11.870 -3.259 -6.945 1.00 0.00 N ATOM 0 H LYS A 42 -12.018 -4.602 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.970 -2.439 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.325 -2.794 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.367 -1.712 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.812 -3.713 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.690 -4.583 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.856 -1.884 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.498 -2.893 -4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.768 -3.460 -6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.664 -4.741 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.928 -3.776 -7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.706 -3.478 -6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.838 -2.237 -7.134 1.00 0.00 H new ATOM 654 N LEU A 43 -15.411 -4.124 -3.197 1.00 0.00 N ATOM 655 CA LEU A 43 -16.403 -5.135 -3.523 1.00 0.00 C ATOM 656 C LEU A 43 -16.619 -5.160 -5.038 1.00 0.00 C ATOM 657 O LEU A 43 -16.432 -4.150 -5.713 1.00 0.00 O ATOM 658 CB LEU A 43 -17.687 -4.903 -2.724 1.00 0.00 C ATOM 659 CG LEU A 43 -17.813 -5.686 -1.415 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.441 -7.156 -1.620 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.987 -5.035 -0.305 1.00 0.00 C ATOM 0 H LEU A 43 -15.639 -3.183 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.048 -6.124 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.763 -3.840 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.537 -5.155 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.855 -5.658 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.539 -7.691 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.107 -7.600 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.412 -7.225 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.094 -5.611 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.937 -5.012 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.340 -4.017 -0.138 1.00 0.00 H new ATOM 673 N VAL A 44 -17.008 -6.329 -5.527 1.00 0.00 N ATOM 674 CA VAL A 44 -17.251 -6.500 -6.950 1.00 0.00 C ATOM 675 C VAL A 44 -18.250 -7.640 -7.159 1.00 0.00 C ATOM 676 O VAL A 44 -17.876 -8.812 -7.121 1.00 0.00 O ATOM 677 CB VAL A 44 -15.927 -6.723 -7.684 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.162 -6.968 -9.175 1.00 0.00 C ATOM 679 CG2 VAL A 44 -14.974 -5.547 -7.464 1.00 0.00 C ATOM 0 H VAL A 44 -17.161 -7.166 -4.964 1.00 0.00 H new ATOM 0 HA VAL A 44 -17.694 -5.598 -7.373 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.459 -7.615 -7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.205 -7.124 -9.673 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -16.786 -7.852 -9.304 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -16.662 -6.103 -9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.041 -5.731 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -15.432 -4.632 -7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -14.769 -5.439 -6.399 1.00 0.00 H new ATOM 689 N PRO A 45 -19.533 -7.248 -7.380 1.00 0.00 N ATOM 690 CA PRO A 45 -20.588 -8.223 -7.595 1.00 0.00 C ATOM 691 C PRO A 45 -20.496 -8.831 -8.996 1.00 0.00 C ATOM 692 O PRO A 45 -20.205 -8.129 -9.963 1.00 0.00 O ATOM 693 CB PRO A 45 -21.881 -7.461 -7.362 1.00 0.00 C ATOM 694 CG PRO A 45 -21.526 -5.988 -7.483 1.00 0.00 C ATOM 695 CD PRO A 45 -20.011 -5.869 -7.432 1.00 0.00 C ATOM 0 HA PRO A 45 -20.517 -9.076 -6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -22.637 -7.742 -8.095 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.293 -7.684 -6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -21.910 -5.578 -8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.981 -5.418 -6.673 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.625 -5.349 -8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.687 -5.304 -6.558 1.00 0.00 H new ATOM 703 N VAL A 46 -20.749 -10.130 -9.060 1.00 0.00 N ATOM 704 CA VAL A 46 -20.698 -10.840 -10.326 1.00 0.00 C ATOM 705 C VAL A 46 -22.123 -11.076 -10.832 1.00 0.00 C ATOM 706 O VAL A 46 -22.396 -10.930 -12.022 1.00 0.00 O ATOM 707 CB VAL A 46 -19.898 -12.134 -10.169 1.00 0.00 C ATOM 708 CG1 VAL A 46 -20.679 -13.166 -9.352 1.00 0.00 C ATOM 709 CG2 VAL A 46 -19.500 -12.703 -11.533 1.00 0.00 C ATOM 0 H VAL A 46 -20.990 -10.709 -8.255 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.181 -10.243 -11.077 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.984 -11.898 -9.625 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -20.088 -14.077 -9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -20.889 -12.763 -8.361 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -21.618 -13.395 -9.857 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -18.932 -13.623 -11.392 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.397 -12.916 -12.114 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -18.887 -11.976 -12.066 1.00 0.00 H new ATOM 719 N GLY A 47 -22.994 -11.438 -9.902 1.00 0.00 N ATOM 720 CA GLY A 47 -24.385 -11.695 -10.237 1.00 0.00 C ATOM 721 C GLY A 47 -25.325 -11.003 -9.248 1.00 0.00 C ATOM 722 O GLY A 47 -25.192 -9.807 -8.992 1.00 0.00 O ATOM 0 H GLY A 47 -22.764 -11.560 -8.916 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -24.591 -11.342 -11.247 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.572 -12.769 -10.231 1.00 0.00 H new ATOM 726 N TYR A 48 -26.255 -11.784 -8.719 1.00 0.00 N ATOM 727 CA TYR A 48 -27.217 -11.262 -7.764 1.00 0.00 C ATOM 728 C TYR A 48 -27.289 -12.148 -6.519 1.00 0.00 C ATOM 729 O TYR A 48 -28.108 -13.063 -6.450 1.00 0.00 O ATOM 730 CB TYR A 48 -28.572 -11.289 -8.473 1.00 0.00 C ATOM 731 CG TYR A 48 -29.604 -10.328 -7.880 1.00 0.00 C ATOM 732 CD1 TYR A 48 -29.335 -8.975 -7.825 1.00 0.00 C ATOM 733 CD2 TYR A 48 -30.804 -10.812 -7.402 1.00 0.00 C ATOM 734 CE1 TYR A 48 -30.306 -8.069 -7.267 1.00 0.00 C ATOM 735 CE2 TYR A 48 -31.775 -9.907 -6.844 1.00 0.00 C ATOM 736 CZ TYR A 48 -31.478 -8.580 -6.803 1.00 0.00 C ATOM 737 OH TYR A 48 -32.395 -7.726 -6.277 1.00 0.00 O ATOM 0 H TYR A 48 -26.363 -12.775 -8.934 1.00 0.00 H new ATOM 0 HA TYR A 48 -26.933 -10.260 -7.442 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -28.425 -11.044 -9.525 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -28.971 -12.303 -8.434 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -28.396 -8.596 -8.201 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -31.015 -11.870 -7.446 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -30.108 -7.008 -7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -32.718 -10.273 -6.466 1.00 0.00 H new ATOM 0 HH TYR A 48 -33.183 -8.231 -5.987 1.00 0.00 H new ATOM 747 N GLY A 49 -26.421 -11.845 -5.564 1.00 0.00 N ATOM 748 CA GLY A 49 -26.375 -12.601 -4.325 1.00 0.00 C ATOM 749 C GLY A 49 -24.944 -12.700 -3.795 1.00 0.00 C ATOM 750 O GLY A 49 -24.679 -12.354 -2.645 1.00 0.00 O ATOM 0 H GLY A 49 -25.743 -11.085 -5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.010 -12.123 -3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -26.775 -13.601 -4.490 1.00 0.00 H new ATOM 754 N ILE A 50 -24.059 -13.175 -4.659 1.00 0.00 N ATOM 755 CA ILE A 50 -22.661 -13.324 -4.292 1.00 0.00 C ATOM 756 C ILE A 50 -21.849 -12.188 -4.918 1.00 0.00 C ATOM 757 O ILE A 50 -22.286 -11.570 -5.888 1.00 0.00 O ATOM 758 CB ILE A 50 -22.154 -14.718 -4.665 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.860 -15.797 -3.840 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.633 -14.802 -4.536 1.00 0.00 C ATOM 761 CD1 ILE A 50 -23.870 -16.567 -4.693 1.00 0.00 C ATOM 0 H ILE A 50 -24.283 -13.462 -5.612 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.542 -13.245 -3.211 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.398 -14.901 -5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.123 -16.488 -3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.370 -15.337 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.300 -15.804 -4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.171 -14.073 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.343 -14.589 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.357 -17.327 -4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.620 -15.877 -5.080 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.353 -17.046 -5.525 1.00 0.00 H new ATOM 773 N LYS A 51 -20.683 -11.946 -4.338 1.00 0.00 N ATOM 774 CA LYS A 51 -19.808 -10.895 -4.827 1.00 0.00 C ATOM 775 C LYS A 51 -18.351 -11.311 -4.614 1.00 0.00 C ATOM 776 O LYS A 51 -18.076 -12.289 -3.919 1.00 0.00 O ATOM 777 CB LYS A 51 -20.165 -9.555 -4.180 1.00 0.00 C ATOM 778 CG LYS A 51 -21.680 -9.344 -4.160 1.00 0.00 C ATOM 779 CD LYS A 51 -22.033 -7.968 -3.591 1.00 0.00 C ATOM 780 CE LYS A 51 -23.531 -7.686 -3.729 1.00 0.00 C ATOM 781 NZ LYS A 51 -24.180 -7.675 -2.399 1.00 0.00 N ATOM 0 H LYS A 51 -20.324 -12.460 -3.534 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.947 -10.752 -5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.776 -9.523 -3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.688 -8.743 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.077 -9.437 -5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.152 -10.122 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.745 -7.920 -2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.465 -7.198 -4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.683 -6.726 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.994 -8.445 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.196 -7.482 -2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.051 -8.600 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.750 -6.935 -1.809 1.00 0.00 H new ATOM 795 N LYS A 52 -17.455 -10.549 -5.224 1.00 0.00 N ATOM 796 CA LYS A 52 -16.034 -10.825 -5.110 1.00 0.00 C ATOM 797 C LYS A 52 -15.494 -10.181 -3.832 1.00 0.00 C ATOM 798 O LYS A 52 -15.679 -8.986 -3.609 1.00 0.00 O ATOM 799 CB LYS A 52 -15.299 -10.386 -6.378 1.00 0.00 C ATOM 800 CG LYS A 52 -14.541 -11.558 -7.006 1.00 0.00 C ATOM 801 CD LYS A 52 -13.852 -11.132 -8.304 1.00 0.00 C ATOM 802 CE LYS A 52 -14.436 -11.878 -9.506 1.00 0.00 C ATOM 803 NZ LYS A 52 -13.716 -11.508 -10.745 1.00 0.00 N ATOM 0 H LYS A 52 -17.687 -9.739 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.861 -11.898 -5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.014 -9.984 -7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.601 -9.583 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.798 -11.934 -6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.232 -12.376 -7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.969 -10.058 -8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.782 -11.329 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.364 -12.953 -9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.495 -11.641 -9.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.125 -12.023 -11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.806 -10.485 -10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.711 -11.756 -10.650 1.00 0.00 H new ATOM 817 N LEU A 53 -14.836 -11.002 -3.026 1.00 0.00 N ATOM 818 CA LEU A 53 -14.268 -10.527 -1.775 1.00 0.00 C ATOM 819 C LEU A 53 -12.835 -10.050 -2.020 1.00 0.00 C ATOM 820 O LEU A 53 -11.880 -10.710 -1.614 1.00 0.00 O ATOM 821 CB LEU A 53 -14.382 -11.603 -0.692 1.00 0.00 C ATOM 822 CG LEU A 53 -14.551 -11.095 0.741 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.203 -10.697 1.345 1.00 0.00 C ATOM 824 CD2 LEU A 53 -15.566 -9.953 0.802 1.00 0.00 C ATOM 0 H LEU A 53 -14.684 -11.993 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.830 -9.671 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.230 -12.244 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.490 -12.227 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 53 -14.947 -11.910 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.352 -10.340 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.540 -11.562 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.755 -9.905 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -15.667 -9.611 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.223 -9.128 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.532 -10.305 0.440 1.00 0.00 H new ATOM 836 N GLN A 54 -12.731 -8.906 -2.681 1.00 0.00 N ATOM 837 CA GLN A 54 -11.432 -8.333 -2.984 1.00 0.00 C ATOM 838 C GLN A 54 -11.061 -7.277 -1.942 1.00 0.00 C ATOM 839 O GLN A 54 -11.899 -6.466 -1.549 1.00 0.00 O ATOM 840 CB GLN A 54 -11.409 -7.743 -4.396 1.00 0.00 C ATOM 841 CG GLN A 54 -10.659 -8.660 -5.363 1.00 0.00 C ATOM 842 CD GLN A 54 -11.172 -8.486 -6.794 1.00 0.00 C ATOM 843 OE1 GLN A 54 -11.914 -9.300 -7.318 1.00 0.00 O ATOM 844 NE2 GLN A 54 -10.736 -7.383 -7.394 1.00 0.00 N ATOM 0 H GLN A 54 -13.526 -8.361 -3.015 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.688 -9.129 -2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.430 -7.595 -4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.933 -6.763 -4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.592 -8.439 -5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.780 -9.698 -5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.116 -6.743 -6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.021 -7.176 -8.351 1.00 0.00 H new ATOM 853 N ILE A 55 -9.805 -7.320 -1.523 1.00 0.00 N ATOM 854 CA ILE A 55 -9.313 -6.377 -0.533 1.00 0.00 C ATOM 855 C ILE A 55 -7.929 -5.877 -0.954 1.00 0.00 C ATOM 856 O ILE A 55 -7.264 -6.502 -1.778 1.00 0.00 O ATOM 857 CB ILE A 55 -9.343 -7.001 0.864 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.284 -8.098 0.995 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.743 -7.511 1.206 1.00 0.00 C ATOM 860 CD1 ILE A 55 -8.738 -9.385 0.304 1.00 0.00 C ATOM 0 H ILE A 55 -9.113 -7.993 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.965 -5.505 -0.481 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.097 -6.227 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.346 -7.757 0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.089 -8.296 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.737 -7.950 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.449 -6.681 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.043 -8.266 0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.967 -10.148 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.663 -9.737 0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.908 -9.189 -0.755 1.00 0.00 H new ATOM 872 N GLN A 56 -7.538 -4.755 -0.370 1.00 0.00 N ATOM 873 CA GLN A 56 -6.245 -4.164 -0.673 1.00 0.00 C ATOM 874 C GLN A 56 -5.484 -3.859 0.618 1.00 0.00 C ATOM 875 O GLN A 56 -6.087 -3.493 1.627 1.00 0.00 O ATOM 876 CB GLN A 56 -6.406 -2.904 -1.526 1.00 0.00 C ATOM 877 CG GLN A 56 -5.049 -2.255 -1.807 1.00 0.00 C ATOM 878 CD GLN A 56 -5.173 -1.162 -2.871 1.00 0.00 C ATOM 879 OE1 GLN A 56 -6.226 -0.585 -3.084 1.00 0.00 O ATOM 880 NE2 GLN A 56 -4.041 -0.914 -3.525 1.00 0.00 N ATOM 0 H GLN A 56 -8.094 -4.239 0.312 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.665 -4.883 -1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.894 -3.158 -2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.054 -2.193 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.649 -1.828 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.341 -3.014 -2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.195 -1.435 -3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.020 -0.203 -4.256 1.00 0.00 H new ATOM 889 N CYS A 57 -4.171 -4.018 0.545 1.00 0.00 N ATOM 890 CA CYS A 57 -3.321 -3.764 1.695 1.00 0.00 C ATOM 891 C CYS A 57 -2.025 -3.118 1.202 1.00 0.00 C ATOM 892 O CYS A 57 -1.826 -2.958 -0.001 1.00 0.00 O ATOM 893 CB CYS A 57 -3.054 -5.042 2.494 1.00 0.00 C ATOM 894 SG CYS A 57 -2.680 -6.424 1.357 1.00 0.00 S ATOM 0 H CYS A 57 -3.675 -4.320 -0.293 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.826 -3.084 2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.219 -4.886 3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.923 -5.287 3.104 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.039 -6.102 0.150 1.00 0.00 H new ATOM 900 N VAL A 58 -1.177 -2.764 2.157 1.00 0.00 N ATOM 901 CA VAL A 58 0.094 -2.139 1.834 1.00 0.00 C ATOM 902 C VAL A 58 1.203 -2.788 2.666 1.00 0.00 C ATOM 903 O VAL A 58 1.690 -2.197 3.628 1.00 0.00 O ATOM 904 CB VAL A 58 0.001 -0.626 2.041 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.364 0.040 1.844 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.049 -0.010 1.114 1.00 0.00 C ATOM 0 H VAL A 58 -1.345 -2.898 3.154 1.00 0.00 H new ATOM 0 HA VAL A 58 0.340 -2.296 0.784 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.313 -0.447 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.269 1.115 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.075 -0.367 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.720 -0.152 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.095 1.066 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.778 -0.205 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.023 -0.452 1.323 1.00 0.00 H new ATOM 916 N VAL A 59 1.568 -3.997 2.265 1.00 0.00 N ATOM 917 CA VAL A 59 2.610 -4.733 2.961 1.00 0.00 C ATOM 918 C VAL A 59 3.977 -4.318 2.410 1.00 0.00 C ATOM 919 O VAL A 59 4.057 -3.545 1.456 1.00 0.00 O ATOM 920 CB VAL A 59 2.353 -6.236 2.849 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.004 -6.609 3.468 1.00 0.00 C ATOM 922 CG2 VAL A 59 2.434 -6.700 1.393 1.00 0.00 C ATOM 0 H VAL A 59 1.161 -4.485 1.467 1.00 0.00 H new ATOM 0 HA VAL A 59 2.601 -4.493 4.024 1.00 0.00 H new ATOM 0 HB VAL A 59 3.133 -6.751 3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.846 -7.683 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.998 -6.331 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.206 -6.078 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.247 -7.773 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.686 -6.173 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.427 -6.485 0.997 1.00 0.00 H new ATOM 932 N GLU A 60 5.017 -4.849 3.036 1.00 0.00 N ATOM 933 CA GLU A 60 6.376 -4.544 2.621 1.00 0.00 C ATOM 934 C GLU A 60 6.797 -5.459 1.471 1.00 0.00 C ATOM 935 O GLU A 60 6.083 -6.400 1.127 1.00 0.00 O ATOM 936 CB GLU A 60 7.347 -4.659 3.797 1.00 0.00 C ATOM 937 CG GLU A 60 8.097 -3.344 4.019 1.00 0.00 C ATOM 938 CD GLU A 60 9.423 -3.334 3.254 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.946 -4.403 2.906 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.910 -2.162 3.023 1.00 0.00 O ATOM 0 H GLU A 60 4.946 -5.489 3.827 1.00 0.00 H new ATOM 0 HA GLU A 60 6.405 -3.513 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.799 -4.927 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.060 -5.461 3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.478 -2.508 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.286 -3.204 5.083 1.00 0.00 H new ATOM 947 N ASP A 61 7.957 -5.152 0.906 1.00 0.00 N ATOM 948 CA ASP A 61 8.482 -5.935 -0.199 1.00 0.00 C ATOM 949 C ASP A 61 9.765 -6.639 0.246 1.00 0.00 C ATOM 950 O ASP A 61 10.428 -7.295 -0.556 1.00 0.00 O ATOM 951 CB ASP A 61 8.822 -5.043 -1.394 1.00 0.00 C ATOM 952 CG ASP A 61 8.352 -5.571 -2.751 1.00 0.00 C ATOM 953 OD1 ASP A 61 7.144 -5.671 -3.013 1.00 0.00 O ATOM 954 OD2 ASP A 61 9.297 -5.892 -3.568 1.00 0.00 O ATOM 0 H ASP A 61 8.547 -4.371 1.194 1.00 0.00 H new ATOM 0 HA ASP A 61 7.720 -6.656 -0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.381 -4.060 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.903 -4.905 -1.429 1.00 0.00 H new ATOM 959 N ASP A 62 10.078 -6.480 1.524 1.00 0.00 N ATOM 960 CA ASP A 62 11.270 -7.093 2.085 1.00 0.00 C ATOM 961 C ASP A 62 11.085 -7.269 3.593 1.00 0.00 C ATOM 962 O ASP A 62 12.062 -7.322 4.339 1.00 0.00 O ATOM 963 CB ASP A 62 12.500 -6.212 1.858 1.00 0.00 C ATOM 964 CG ASP A 62 13.841 -6.947 1.919 1.00 0.00 C ATOM 965 OD1 ASP A 62 13.928 -8.075 2.426 1.00 0.00 O ATOM 966 OD2 ASP A 62 14.838 -6.304 1.412 1.00 0.00 O ATOM 0 H ASP A 62 9.526 -5.935 2.187 1.00 0.00 H new ATOM 0 HA ASP A 62 11.420 -8.054 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.410 -5.732 0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.503 -5.419 2.605 1.00 0.00 H new ATOM 971 N LYS A 63 9.826 -7.355 3.997 1.00 0.00 N ATOM 972 CA LYS A 63 9.502 -7.523 5.404 1.00 0.00 C ATOM 973 C LYS A 63 8.605 -8.752 5.571 1.00 0.00 C ATOM 974 O LYS A 63 9.065 -9.806 6.006 1.00 0.00 O ATOM 975 CB LYS A 63 8.898 -6.238 5.972 1.00 0.00 C ATOM 976 CG LYS A 63 9.222 -6.091 7.460 1.00 0.00 C ATOM 977 CD LYS A 63 9.298 -4.616 7.862 1.00 0.00 C ATOM 978 CE LYS A 63 7.919 -4.085 8.256 1.00 0.00 C ATOM 979 NZ LYS A 63 7.863 -2.614 8.092 1.00 0.00 N ATOM 0 H LYS A 63 9.019 -7.312 3.375 1.00 0.00 H new ATOM 0 HA LYS A 63 10.406 -7.705 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.284 -5.378 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.817 -6.246 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.459 -6.594 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.171 -6.581 7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.989 -4.498 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.695 -4.029 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.152 -4.555 7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.703 -4.350 9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.920 -2.270 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.582 -2.169 8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.048 -2.368 7.099 1.00 0.00 H new ATOM 993 N VAL A 64 7.341 -8.574 5.218 1.00 0.00 N ATOM 994 CA VAL A 64 6.375 -9.655 5.323 1.00 0.00 C ATOM 995 C VAL A 64 5.814 -9.969 3.936 1.00 0.00 C ATOM 996 O VAL A 64 6.157 -9.305 2.958 1.00 0.00 O ATOM 997 CB VAL A 64 5.289 -9.288 6.338 1.00 0.00 C ATOM 998 CG1 VAL A 64 4.259 -8.340 5.721 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.615 -10.544 6.896 1.00 0.00 C ATOM 0 H VAL A 64 6.963 -7.697 4.859 1.00 0.00 H new ATOM 0 HA VAL A 64 6.855 -10.562 5.692 1.00 0.00 H new ATOM 0 HB VAL A 64 5.767 -8.767 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.499 -8.095 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.755 -7.426 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.788 -8.822 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.848 -10.256 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.157 -11.104 6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.360 -11.167 7.391 1.00 0.00 H new ATOM 1009 N GLY A 65 4.963 -10.984 3.893 1.00 0.00 N ATOM 1010 CA GLY A 65 4.351 -11.394 2.641 1.00 0.00 C ATOM 1011 C GLY A 65 2.846 -11.613 2.810 1.00 0.00 C ATOM 1012 O GLY A 65 2.313 -11.460 3.909 1.00 0.00 O ATOM 0 H GLY A 65 4.683 -11.534 4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.528 -10.634 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.818 -12.313 2.288 1.00 0.00 H new ATOM 1016 N THR A 66 2.203 -11.965 1.707 1.00 0.00 N ATOM 1017 CA THR A 66 0.770 -12.206 1.720 1.00 0.00 C ATOM 1018 C THR A 66 0.459 -13.541 2.399 1.00 0.00 C ATOM 1019 O THR A 66 -0.654 -13.754 2.878 1.00 0.00 O ATOM 1020 CB THR A 66 0.264 -12.124 0.279 1.00 0.00 C ATOM 1021 OG1 THR A 66 0.213 -10.726 0.006 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.189 -12.584 0.142 1.00 0.00 C ATOM 0 H THR A 66 2.648 -12.089 0.798 1.00 0.00 H new ATOM 0 HA THR A 66 0.247 -11.451 2.307 1.00 0.00 H new ATOM 0 HB THR A 66 0.900 -12.733 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.673 -10.541 -0.840 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.499 -12.506 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.275 -13.620 0.469 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.830 -11.954 0.759 1.00 0.00 H new ATOM 1030 N ASP A 67 1.463 -14.406 2.419 1.00 0.00 N ATOM 1031 CA ASP A 67 1.311 -15.716 3.031 1.00 0.00 C ATOM 1032 C ASP A 67 0.583 -15.566 4.368 1.00 0.00 C ATOM 1033 O ASP A 67 -0.584 -15.934 4.489 1.00 0.00 O ATOM 1034 CB ASP A 67 2.672 -16.357 3.302 1.00 0.00 C ATOM 1035 CG ASP A 67 3.811 -15.372 3.574 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.991 -14.388 2.843 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.540 -15.652 4.600 1.00 0.00 O ATOM 0 H ASP A 67 2.385 -14.225 2.021 1.00 0.00 H new ATOM 0 HA ASP A 67 0.746 -16.347 2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.578 -17.025 4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.943 -16.974 2.445 1.00 0.00 H new ATOM 1042 N MET A 68 1.303 -15.026 5.341 1.00 0.00 N ATOM 1043 CA MET A 68 0.741 -14.824 6.665 1.00 0.00 C ATOM 1044 C MET A 68 -0.723 -14.389 6.578 1.00 0.00 C ATOM 1045 O MET A 68 -1.602 -15.040 7.142 1.00 0.00 O ATOM 1046 CB MET A 68 1.548 -13.755 7.405 1.00 0.00 C ATOM 1047 CG MET A 68 1.712 -14.117 8.883 1.00 0.00 C ATOM 1048 SD MET A 68 1.326 -12.704 9.903 1.00 0.00 S ATOM 1049 CE MET A 68 -0.438 -12.919 10.076 1.00 0.00 C ATOM 0 H MET A 68 2.271 -14.722 5.238 1.00 0.00 H new ATOM 0 HA MET A 68 0.789 -15.768 7.207 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.529 -13.649 6.942 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.048 -12.791 7.316 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.056 -14.950 9.137 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.733 -14.446 9.074 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.844 -12.115 10.690 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.906 -12.896 9.092 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.643 -13.878 10.552 1.00 0.00 H new ATOM 1059 N LEU A 69 -0.941 -13.292 5.869 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.284 -12.762 5.702 1.00 0.00 C ATOM 1061 C LEU A 69 -3.234 -13.902 5.328 1.00 0.00 C ATOM 1062 O LEU A 69 -4.136 -14.238 6.093 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.283 -11.609 4.697 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.938 -10.228 5.262 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -2.205 -9.132 4.229 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.681 -9.972 6.574 1.00 0.00 C ATOM 0 H LEU A 69 -0.210 -12.755 5.403 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.646 -12.338 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.572 -11.844 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.269 -11.555 4.235 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.872 -10.207 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.952 -8.161 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.595 -9.310 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.259 -9.143 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.418 -8.985 6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.756 -10.019 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.399 -10.729 7.306 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.996 -14.467 4.153 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.819 -15.561 3.669 1.00 0.00 C ATOM 1080 C GLU A 70 -4.054 -16.583 4.784 1.00 0.00 C ATOM 1081 O GLU A 70 -5.197 -16.870 5.138 1.00 0.00 O ATOM 1082 CB GLU A 70 -3.186 -16.224 2.444 1.00 0.00 C ATOM 1083 CG GLU A 70 -4.157 -17.209 1.790 1.00 0.00 C ATOM 1084 CD GLU A 70 -3.402 -18.359 1.118 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -2.789 -19.154 1.928 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -3.412 -18.469 -0.116 1.00 0.00 O ATOM 0 H GLU A 70 -2.245 -14.187 3.522 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.784 -15.155 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.896 -15.461 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.276 -16.746 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.838 -17.607 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.766 -16.688 1.051 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.953 -17.103 5.307 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.024 -18.086 6.375 1.00 0.00 C ATOM 1095 C GLU A 71 -3.989 -17.616 7.466 1.00 0.00 C ATOM 1096 O GLU A 71 -4.541 -18.430 8.205 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.636 -18.368 6.954 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.342 -19.869 6.965 1.00 0.00 C ATOM 1099 CD GLU A 71 -1.267 -20.403 8.398 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -1.974 -19.900 9.284 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -0.439 -21.376 8.575 1.00 0.00 O ATOM 0 H GLU A 71 -2.007 -16.862 5.011 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.404 -19.019 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.880 -17.850 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.574 -17.974 7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.120 -20.400 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.400 -20.063 6.451 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.161 -16.304 7.532 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.050 -15.715 8.521 1.00 0.00 C ATOM 1110 C GLN A 72 -6.434 -15.475 7.914 1.00 0.00 C ATOM 1111 O GLN A 72 -7.450 -15.703 8.569 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.463 -14.418 9.081 1.00 0.00 C ATOM 1113 CG GLN A 72 -5.425 -13.768 10.078 1.00 0.00 C ATOM 1114 CD GLN A 72 -4.665 -13.176 11.267 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.447 -13.196 11.331 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -5.450 -12.651 12.204 1.00 0.00 N ATOM 0 H GLN A 72 -3.701 -15.632 6.918 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.156 -16.415 9.350 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.512 -14.626 9.571 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.256 -13.726 8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.996 -12.984 9.580 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.142 -14.508 10.432 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.463 -12.667 12.088 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.039 -12.232 13.038 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.428 -15.018 6.671 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.671 -14.744 5.969 1.00 0.00 C ATOM 1127 C ILE A 73 -8.362 -16.066 5.630 1.00 0.00 C ATOM 1128 O ILE A 73 -9.423 -16.373 6.171 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.413 -13.854 4.752 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.634 -12.598 5.145 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.720 -13.516 4.033 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -5.964 -11.963 3.925 1.00 0.00 C ATOM 0 H ILE A 73 -5.583 -14.830 6.132 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.354 -14.182 6.607 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.793 -14.410 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.308 -11.878 5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.878 -12.852 5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.508 -12.882 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.199 -14.436 3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.385 -12.989 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.417 -11.072 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.272 -12.677 3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.725 -11.687 3.194 1.00 0.00 H new ATOM 1144 N THR A 74 -7.732 -16.813 4.734 1.00 0.00 N ATOM 1145 CA THR A 74 -8.274 -18.095 4.316 1.00 0.00 C ATOM 1146 C THR A 74 -8.435 -19.025 5.520 1.00 0.00 C ATOM 1147 O THR A 74 -9.245 -19.950 5.491 1.00 0.00 O ATOM 1148 CB THR A 74 -7.359 -18.663 3.228 1.00 0.00 C ATOM 1149 OG1 THR A 74 -8.178 -19.606 2.544 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.219 -19.506 3.803 1.00 0.00 C ATOM 0 H THR A 74 -6.852 -16.555 4.287 1.00 0.00 H new ATOM 0 HA THR A 74 -9.273 -17.983 3.896 1.00 0.00 H new ATOM 0 HB THR A 74 -6.944 -17.845 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.664 -20.021 1.820 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.600 -19.885 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.610 -18.891 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.633 -20.344 4.364 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.650 -18.746 6.551 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.696 -19.545 7.764 1.00 0.00 C ATOM 1160 C ALA A 75 -9.148 -19.910 8.075 1.00 0.00 C ATOM 1161 O ALA A 75 -9.417 -20.962 8.654 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.029 -18.777 8.907 1.00 0.00 C ATOM 0 H ALA A 75 -6.979 -17.978 6.571 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.144 -20.476 7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.064 -19.376 9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.991 -18.569 8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.557 -17.838 9.071 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.046 -19.022 7.677 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.465 -19.237 7.906 1.00 0.00 C ATOM 1170 C PHE A 76 -12.092 -20.033 6.760 1.00 0.00 C ATOM 1171 O PHE A 76 -12.877 -19.494 5.982 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.122 -17.857 7.972 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.487 -17.408 9.389 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.217 -18.225 10.194 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.080 -16.191 9.842 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.556 -17.808 11.509 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.419 -15.775 11.157 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.149 -16.592 11.963 1.00 0.00 C ATOM 0 H PHE A 76 -9.819 -18.151 7.197 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.611 -19.802 8.827 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.447 -17.123 7.532 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.025 -17.866 7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.539 -19.191 9.834 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.500 -15.542 9.202 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.137 -18.456 12.148 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.097 -14.809 11.517 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.405 -16.275 12.963 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.719 -21.303 6.691 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.234 -22.178 5.651 1.00 0.00 C ATOM 1190 C GLU A 77 -13.757 -22.285 5.756 1.00 0.00 C ATOM 1191 O GLU A 77 -14.413 -22.767 4.833 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.580 -23.559 5.724 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.188 -23.905 7.162 1.00 0.00 C ATOM 1194 CD GLU A 77 -12.288 -23.496 8.144 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -13.402 -24.131 8.011 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -12.069 -22.611 8.985 1.00 0.00 O ATOM 0 H GLU A 77 -11.067 -21.747 7.338 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.985 -21.746 4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.268 -24.312 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.696 -23.581 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.002 -24.976 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.258 -23.399 7.421 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.275 -21.830 6.886 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.708 -21.869 7.123 1.00 0.00 C ATOM 1205 C ASP A 78 -16.352 -20.612 6.536 1.00 0.00 C ATOM 1206 O ASP A 78 -17.499 -20.294 6.846 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.018 -21.904 8.621 1.00 0.00 C ATOM 1208 CG ASP A 78 -16.935 -23.045 9.064 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -18.038 -23.147 8.403 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -16.612 -23.799 9.995 1.00 0.00 O ATOM 0 H ASP A 78 -13.728 -21.432 7.649 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.103 -22.769 6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.079 -21.979 9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.478 -20.957 8.904 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.586 -19.931 5.696 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.068 -18.715 5.062 1.00 0.00 C ATOM 1217 C TYR A 79 -15.392 -18.499 3.707 1.00 0.00 C ATOM 1218 O TYR A 79 -16.044 -18.108 2.739 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.682 -17.569 6.000 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.368 -17.625 7.366 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -17.673 -17.197 7.500 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -15.682 -18.104 8.464 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -18.319 -17.250 8.787 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -16.327 -18.157 9.749 1.00 0.00 C ATOM 1225 CZ TYR A 79 -17.614 -17.727 9.848 1.00 0.00 C ATOM 1226 OH TYR A 79 -18.225 -17.778 11.062 1.00 0.00 O ATOM 0 H TYR A 79 -14.635 -20.198 5.440 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.143 -18.771 4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.602 -17.581 6.147 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.928 -16.622 5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -18.210 -16.823 6.641 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.661 -18.439 8.358 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -19.340 -16.918 8.906 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.801 -18.530 10.616 1.00 0.00 H new ATOM 0 HH TYR A 79 -17.603 -18.141 11.726 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.093 -18.761 3.680 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.322 -18.600 2.459 1.00 0.00 C ATOM 1238 C VAL A 80 -13.471 -19.855 1.597 1.00 0.00 C ATOM 1239 O VAL A 80 -13.261 -20.969 2.075 1.00 0.00 O ATOM 1240 CB VAL A 80 -11.865 -18.278 2.799 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.032 -18.100 1.528 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.772 -17.041 3.695 1.00 0.00 C ATOM 0 H VAL A 80 -13.555 -19.084 4.484 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.700 -17.759 1.877 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.455 -19.123 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.001 -17.872 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.059 -19.020 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.442 -17.281 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.726 -16.834 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.208 -16.185 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.315 -17.222 4.622 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.834 -19.633 0.342 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.014 -20.731 -0.591 1.00 0.00 C ATOM 1254 C GLN A 81 -12.681 -21.092 -1.250 1.00 0.00 C ATOM 1255 O GLN A 81 -12.447 -22.250 -1.594 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.071 -20.391 -1.642 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.438 -21.623 -2.472 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.615 -21.258 -3.948 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -16.639 -20.746 -4.368 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -14.563 -21.549 -4.706 1.00 0.00 N ATOM 0 H GLN A 81 -14.008 -18.708 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.369 -21.599 -0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.963 -20.000 -1.152 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.697 -19.605 -2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.659 -22.379 -2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.359 -22.062 -2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.737 -21.978 -4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.582 -21.344 -5.705 1.00 0.00 H new ATOM 1269 N SER A 82 -11.841 -20.079 -1.407 1.00 0.00 N ATOM 1270 CA SER A 82 -10.538 -20.275 -2.018 1.00 0.00 C ATOM 1271 C SER A 82 -9.888 -18.921 -2.309 1.00 0.00 C ATOM 1272 O SER A 82 -10.367 -18.167 -3.157 1.00 0.00 O ATOM 1273 CB SER A 82 -10.651 -21.096 -3.304 1.00 0.00 C ATOM 1274 OG SER A 82 -10.567 -22.496 -3.052 1.00 0.00 O ATOM 0 H SER A 82 -12.038 -19.120 -1.121 1.00 0.00 H new ATOM 0 HA SER A 82 -9.912 -20.829 -1.319 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.598 -20.872 -3.795 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.858 -20.803 -3.992 1.00 0.00 H new ATOM 0 HG SER A 82 -11.407 -22.808 -2.655 1.00 0.00 H new ATOM 1280 N MET A 83 -8.808 -18.652 -1.591 1.00 0.00 N ATOM 1281 CA MET A 83 -8.087 -17.401 -1.762 1.00 0.00 C ATOM 1282 C MET A 83 -7.207 -17.443 -3.013 1.00 0.00 C ATOM 1283 O MET A 83 -6.768 -18.512 -3.433 1.00 0.00 O ATOM 1284 CB MET A 83 -7.215 -17.143 -0.532 1.00 0.00 C ATOM 1285 CG MET A 83 -6.332 -15.910 -0.735 1.00 0.00 C ATOM 1286 SD MET A 83 -4.816 -16.373 -1.554 1.00 0.00 S ATOM 1287 CE MET A 83 -3.679 -15.245 -0.764 1.00 0.00 C ATOM 0 H MET A 83 -8.414 -19.279 -0.889 1.00 0.00 H new ATOM 0 HA MET A 83 -8.813 -16.597 -1.878 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.848 -17.001 0.344 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.590 -18.014 -0.336 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.863 -15.166 -1.329 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.109 -15.450 0.228 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.759 -15.773 -0.513 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.452 -14.423 -1.442 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.131 -14.850 0.146 1.00 0.00 H new ATOM 1297 N ASP A 84 -6.975 -16.264 -3.573 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.155 -16.151 -4.767 1.00 0.00 C ATOM 1299 C ASP A 84 -5.551 -14.747 -4.835 1.00 0.00 C ATOM 1300 O ASP A 84 -5.687 -13.963 -3.897 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.990 -16.369 -6.031 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.058 -17.817 -6.519 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -7.449 -18.726 -5.771 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -6.685 -17.998 -7.741 1.00 0.00 O ATOM 0 H ASP A 84 -7.341 -15.379 -3.222 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.376 -16.911 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.004 -16.017 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.580 -15.751 -6.830 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.896 -14.474 -5.953 1.00 0.00 N ATOM 1310 CA VAL A 85 -4.270 -13.179 -6.156 1.00 0.00 C ATOM 1311 C VAL A 85 -5.072 -12.386 -7.190 1.00 0.00 C ATOM 1312 O VAL A 85 -5.447 -12.920 -8.233 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.803 -13.361 -6.550 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -2.183 -12.033 -6.988 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -2.003 -13.989 -5.407 1.00 0.00 C ATOM 0 H VAL A 85 -4.785 -15.128 -6.728 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.274 -12.604 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.767 -14.043 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.140 -12.191 -7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.729 -11.642 -7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.238 -11.318 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.964 -14.108 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.052 -13.343 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.423 -14.965 -5.162 1.00 0.00 H new ATOM 1325 N ALA A 86 -5.313 -11.123 -6.866 1.00 0.00 N ATOM 1326 CA ALA A 86 -6.064 -10.252 -7.753 1.00 0.00 C ATOM 1327 C ALA A 86 -5.090 -9.486 -8.652 1.00 0.00 C ATOM 1328 O ALA A 86 -5.390 -9.225 -9.816 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.949 -9.319 -6.925 1.00 0.00 C ATOM 0 H ALA A 86 -5.001 -10.683 -6.001 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.721 -10.835 -8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.512 -8.666 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.641 -9.911 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.325 -8.715 -6.267 1.00 0.00 H new ATOM 1335 N ALA A 87 -3.946 -9.148 -8.077 1.00 0.00 N ATOM 1336 CA ALA A 87 -2.927 -8.417 -8.812 1.00 0.00 C ATOM 1337 C ALA A 87 -1.708 -8.207 -7.912 1.00 0.00 C ATOM 1338 O ALA A 87 -1.684 -8.673 -6.774 1.00 0.00 O ATOM 1339 CB ALA A 87 -3.511 -7.097 -9.319 1.00 0.00 C ATOM 0 H ALA A 87 -3.702 -9.366 -7.111 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.600 -8.985 -9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.747 -6.549 -9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.356 -7.302 -9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.847 -6.499 -8.472 1.00 0.00 H new ATOM 1345 N PHE A 88 -0.725 -7.505 -8.455 1.00 0.00 N ATOM 1346 CA PHE A 88 0.495 -7.227 -7.716 1.00 0.00 C ATOM 1347 C PHE A 88 1.173 -5.957 -8.235 1.00 0.00 C ATOM 1348 O PHE A 88 1.693 -5.937 -9.349 1.00 0.00 O ATOM 1349 CB PHE A 88 1.432 -8.416 -7.935 1.00 0.00 C ATOM 1350 CG PHE A 88 1.720 -9.223 -6.668 1.00 0.00 C ATOM 1351 CD1 PHE A 88 0.800 -10.109 -6.201 1.00 0.00 C ATOM 1352 CD2 PHE A 88 2.897 -9.053 -6.006 1.00 0.00 C ATOM 1353 CE1 PHE A 88 1.069 -10.858 -5.024 1.00 0.00 C ATOM 1354 CE2 PHE A 88 3.164 -9.801 -4.829 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.244 -10.687 -4.363 1.00 0.00 C ATOM 0 H PHE A 88 -0.748 -7.120 -9.399 1.00 0.00 H new ATOM 0 HA PHE A 88 0.265 -7.079 -6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.994 -9.077 -8.683 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.375 -8.052 -8.344 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.135 -10.243 -6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.628 -8.349 -6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.339 -11.563 -4.655 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.098 -9.666 -4.304 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.447 -11.255 -3.467 1.00 0.00 H new ATOM 1365 N ASN A 89 1.147 -4.928 -7.400 1.00 0.00 N ATOM 1366 CA ASN A 89 1.753 -3.657 -7.760 1.00 0.00 C ATOM 1367 C ASN A 89 2.507 -3.097 -6.552 1.00 0.00 C ATOM 1368 O ASN A 89 2.373 -3.606 -5.441 1.00 0.00 O ATOM 1369 CB ASN A 89 0.690 -2.637 -8.170 1.00 0.00 C ATOM 1370 CG ASN A 89 -0.298 -3.244 -9.168 1.00 0.00 C ATOM 1371 OD1 ASN A 89 0.012 -4.166 -9.904 1.00 0.00 O ATOM 1372 ND2 ASN A 89 -1.501 -2.676 -9.152 1.00 0.00 N ATOM 0 H ASN A 89 0.716 -4.949 -6.476 1.00 0.00 H new ATOM 0 HA ASN A 89 2.428 -3.830 -8.598 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.153 -2.291 -7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.170 -1.765 -8.613 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.231 -3.009 -9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -1.694 -1.907 -8.510 1.00 0.00 H new ATOM 1379 N LYS A 90 3.283 -2.054 -6.812 1.00 0.00 N ATOM 1380 CA LYS A 90 4.058 -1.419 -5.760 1.00 0.00 C ATOM 1381 C LYS A 90 3.317 -0.173 -5.269 1.00 0.00 C ATOM 1382 O LYS A 90 2.787 0.619 -6.044 1.00 0.00 O ATOM 1383 CB LYS A 90 5.483 -1.138 -6.239 1.00 0.00 C ATOM 1384 CG LYS A 90 5.499 -0.768 -7.724 1.00 0.00 C ATOM 1385 CD LYS A 90 6.838 -0.142 -8.119 1.00 0.00 C ATOM 1386 CE LYS A 90 6.635 1.241 -8.743 1.00 0.00 C ATOM 1387 NZ LYS A 90 7.792 1.601 -9.593 1.00 0.00 N ATOM 0 H LYS A 90 3.391 -1.634 -7.735 1.00 0.00 H new ATOM 0 HA LYS A 90 4.160 -2.088 -4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.914 -0.326 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.106 -2.017 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.318 -1.658 -8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.690 -0.069 -7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.477 -0.058 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.353 -0.792 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.722 1.247 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.508 1.986 -7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.638 2.542 -10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.656 1.615 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.896 0.899 -10.354 1.00 0.00 H new ATOM 1401 N ILE A 91 3.294 -0.018 -3.943 1.00 0.00 N ATOM 1402 CA ILE A 91 2.634 1.111 -3.315 1.00 0.00 C ATOM 1403 C ILE A 91 3.438 1.568 -2.106 1.00 0.00 C ATOM 1404 O ILE A 91 3.409 0.923 -1.060 1.00 0.00 O ATOM 1405 CB ILE A 91 1.221 0.710 -2.906 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.314 0.719 -4.134 1.00 0.00 C ATOM 1407 CG2 ILE A 91 0.689 1.702 -1.875 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -1.144 0.624 -3.691 1.00 0.00 C ATOM 1409 OXT ILE A 91 4.125 2.588 -2.164 1.00 0.00 O ATOM 0 H ILE A 91 3.729 -0.667 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 91 2.571 1.940 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 91 1.238 -0.290 -2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.472 1.631 -4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.562 -0.117 -4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.321 1.416 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.336 1.697 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.672 2.702 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.792 0.630 -4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.296 -0.301 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.387 1.475 -3.054 1.00 0.00 H new