USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 886 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 26 THR OG1 : rot -88:sc= 0.46 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.311 F(o=-0.84,f=-0.31) USER MOD Single : A 11 SER OG : rot 118:sc= 0.064 USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= -0.134 (180deg=-0.257) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.0099) USER MOD Single : A 22 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.0068) USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= 0.176 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.781 K(o=-0.78,f=-5.2!) USER MOD Single : A 45 TYR OH : rot -77:sc= 0.783 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 124:sc= 0.134 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.659 K(o=-0.66,f=-1.2) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -2.08! X(o=-2.1!,f=-1.8) USER MOD Single : A 91 MET CE :methyl -173:sc= -6.81! (180deg=-7.05!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 99 GLN : amide:sc= -0.212 K(o=-0.21,f=-0.96!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS :FLIP no HD1:sc= -0.414 F(o=-1.2,f=-0.41) USER MOD Single : A 129 TYR OH : rot 180:sc= -0.867 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc= -0.808 K(o=-0.81,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 1.391 -12.635 -1.379 1.00 0.00 N ATOM 67 CA GLY A 8 0.348 -13.105 -0.483 1.00 0.00 C ATOM 68 C GLY A 8 -0.891 -12.211 -0.567 1.00 0.00 C ATOM 69 O GLY A 8 -1.460 -12.033 -1.642 1.00 0.00 O ATOM 0 HA2 GLY A 8 0.079 -14.130 -0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.722 -13.119 0.541 1.00 0.00 H new ATOM 73 N GLN A 9 -1.271 -11.672 0.582 1.00 0.00 N ATOM 74 CA GLN A 9 -2.432 -10.801 0.652 1.00 0.00 C ATOM 75 C GLN A 9 -2.176 -9.653 1.631 1.00 0.00 C ATOM 76 O GLN A 9 -1.481 -9.828 2.630 1.00 0.00 O ATOM 77 CB GLN A 9 -3.684 -11.587 1.045 1.00 0.00 C ATOM 78 CG GLN A 9 -4.166 -12.465 -0.112 1.00 0.00 C ATOM 79 CD GLN A 9 -5.433 -13.232 0.272 1.00 0.00 C ATOM 80 OE1 GLN A 9 -6.537 -12.492 0.262 1.00 0.00 O flip ATOM 81 NE2 GLN A 9 -5.409 -14.418 0.559 1.00 0.00 N flip ATOM 0 H GLN A 9 -0.796 -11.822 1.472 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.604 -10.378 -0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.469 -12.210 1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.475 -10.896 1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.363 -11.845 -0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.381 -13.168 -0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.526 -14.928 0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.272 -14.899 0.811 1.00 0.00 H new ATOM 90 N LEU A 10 -2.750 -8.504 1.308 1.00 0.00 N ATOM 91 CA LEU A 10 -2.593 -7.327 2.146 1.00 0.00 C ATOM 92 C LEU A 10 -3.968 -6.718 2.426 1.00 0.00 C ATOM 93 O LEU A 10 -4.822 -6.672 1.542 1.00 0.00 O ATOM 94 CB LEU A 10 -1.603 -6.347 1.513 1.00 0.00 C ATOM 95 CG LEU A 10 -1.377 -5.038 2.272 1.00 0.00 C ATOM 96 CD1 LEU A 10 -0.938 -5.309 3.713 1.00 0.00 C ATOM 97 CD2 LEU A 10 -0.387 -4.138 1.531 1.00 0.00 C ATOM 0 H LEU A 10 -3.325 -8.362 0.477 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.163 -7.600 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.643 -6.851 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.952 -6.106 0.509 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.325 -4.502 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.784 -4.362 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.710 -5.882 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.007 -5.876 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.245 -3.214 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.568 -4.653 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.778 -3.904 0.541 1.00 0.00 H new ATOM 109 N SER A 11 -4.140 -6.265 3.659 1.00 0.00 N ATOM 110 CA SER A 11 -5.397 -5.661 4.067 1.00 0.00 C ATOM 111 C SER A 11 -5.251 -4.139 4.126 1.00 0.00 C ATOM 112 O SER A 11 -4.440 -3.619 4.891 1.00 0.00 O ATOM 113 CB SER A 11 -5.855 -6.204 5.422 1.00 0.00 C ATOM 114 OG SER A 11 -7.268 -6.115 5.582 1.00 0.00 O ATOM 0 H SER A 11 -3.429 -6.304 4.389 1.00 0.00 H new ATOM 0 HA SER A 11 -6.156 -5.918 3.328 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.544 -7.244 5.520 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.364 -5.648 6.220 1.00 0.00 H new ATOM 0 HG SER A 11 -7.642 -7.014 5.690 1.00 0.00 H new ATOM 120 N ILE A 12 -6.049 -3.468 3.309 1.00 0.00 N ATOM 121 CA ILE A 12 -6.019 -2.016 3.259 1.00 0.00 C ATOM 122 C ILE A 12 -7.439 -1.474 3.432 1.00 0.00 C ATOM 123 O ILE A 12 -8.358 -1.895 2.730 1.00 0.00 O ATOM 124 CB ILE A 12 -5.330 -1.538 1.979 1.00 0.00 C ATOM 125 CG1 ILE A 12 -3.861 -1.963 1.955 1.00 0.00 C ATOM 126 CG2 ILE A 12 -5.493 -0.028 1.800 1.00 0.00 C ATOM 127 CD1 ILE A 12 -3.505 -2.634 0.626 1.00 0.00 C ATOM 0 H ILE A 12 -6.720 -3.903 2.676 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.424 -1.619 4.081 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.817 -2.017 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.224 -1.092 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.664 -2.650 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.994 0.286 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.553 0.219 1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.048 0.489 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.455 -2.926 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.127 -3.519 0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.680 -1.936 -0.192 1.00 0.00 H new ATOM 139 N LYS A 13 -7.575 -0.550 4.371 1.00 0.00 N ATOM 140 CA LYS A 13 -8.868 0.054 4.646 1.00 0.00 C ATOM 141 C LYS A 13 -8.936 1.430 3.980 1.00 0.00 C ATOM 142 O LYS A 13 -8.200 2.341 4.354 1.00 0.00 O ATOM 143 CB LYS A 13 -9.135 0.086 6.152 1.00 0.00 C ATOM 144 CG LYS A 13 -10.535 -0.442 6.472 1.00 0.00 C ATOM 145 CD LYS A 13 -10.835 -0.329 7.968 1.00 0.00 C ATOM 146 CE LYS A 13 -9.735 -0.991 8.800 1.00 0.00 C ATOM 147 NZ LYS A 13 -10.071 -0.938 10.240 1.00 0.00 N ATOM 0 H LYS A 13 -6.811 -0.204 4.952 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.669 -0.548 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.388 -0.516 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.034 1.107 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.278 0.119 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.615 -1.483 6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.924 0.721 8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.794 -0.799 8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.609 -2.028 8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.785 -0.487 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.199 -0.830 10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.699 -0.129 10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.551 -1.818 10.517 1.00 0.00 H new ATOM 161 N LEU A 14 -9.825 1.536 3.003 1.00 0.00 N ATOM 162 CA LEU A 14 -9.998 2.785 2.281 1.00 0.00 C ATOM 163 C LEU A 14 -11.307 3.445 2.719 1.00 0.00 C ATOM 164 O LEU A 14 -12.250 2.760 3.113 1.00 0.00 O ATOM 165 CB LEU A 14 -9.903 2.549 0.773 1.00 0.00 C ATOM 166 CG LEU A 14 -8.594 1.935 0.271 1.00 0.00 C ATOM 167 CD1 LEU A 14 -8.691 1.575 -1.213 1.00 0.00 C ATOM 168 CD2 LEU A 14 -7.409 2.859 0.561 1.00 0.00 C ATOM 0 H LEU A 14 -10.433 0.777 2.695 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.194 3.480 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.725 1.898 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.052 3.502 0.266 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.420 1.007 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.748 1.141 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.495 0.853 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.900 2.474 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.491 2.399 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.562 3.815 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.329 3.022 1.636 1.00 0.00 H new ATOM 180 N TRP A 15 -11.323 4.767 2.636 1.00 0.00 N ATOM 181 CA TRP A 15 -12.501 5.527 3.019 1.00 0.00 C ATOM 182 C TRP A 15 -12.426 6.892 2.333 1.00 0.00 C ATOM 183 O TRP A 15 -11.339 7.376 2.023 1.00 0.00 O ATOM 184 CB TRP A 15 -12.618 5.627 4.541 1.00 0.00 C ATOM 185 CG TRP A 15 -13.630 6.670 5.020 1.00 0.00 C ATOM 186 CD1 TRP A 15 -13.390 7.911 5.463 1.00 0.00 C ATOM 187 CD2 TRP A 15 -15.063 6.509 5.086 1.00 0.00 C ATOM 188 NE1 TRP A 15 -14.557 8.560 5.809 1.00 0.00 N ATOM 189 CE2 TRP A 15 -15.607 7.680 5.572 1.00 0.00 C ATOM 190 CE3 TRP A 15 -15.872 5.411 4.747 1.00 0.00 C ATOM 191 CZ2 TRP A 15 -16.982 7.866 5.762 1.00 0.00 C ATOM 192 CZ3 TRP A 15 -17.244 5.612 4.943 1.00 0.00 C ATOM 193 CH2 TRP A 15 -17.808 6.785 5.431 1.00 0.00 C ATOM 0 H TRP A 15 -10.539 5.332 2.309 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.410 5.022 2.691 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -12.901 4.652 4.938 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -11.639 5.868 4.955 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.406 8.349 5.540 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.635 9.510 6.172 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.468 4.485 4.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.384 8.793 6.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.911 4.798 4.698 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.878 6.862 5.554 1.00 0.00 H new ATOM 204 N PHE A 16 -13.596 7.475 2.117 1.00 0.00 N ATOM 205 CA PHE A 16 -13.677 8.775 1.473 1.00 0.00 C ATOM 206 C PHE A 16 -14.461 9.766 2.336 1.00 0.00 C ATOM 207 O PHE A 16 -15.672 9.629 2.500 1.00 0.00 O ATOM 208 CB PHE A 16 -14.416 8.574 0.149 1.00 0.00 C ATOM 209 CG PHE A 16 -14.620 9.862 -0.651 1.00 0.00 C ATOM 210 CD1 PHE A 16 -13.556 10.657 -0.944 1.00 0.00 C ATOM 211 CD2 PHE A 16 -15.866 10.212 -1.070 1.00 0.00 C ATOM 212 CE1 PHE A 16 -13.746 11.852 -1.687 1.00 0.00 C ATOM 213 CE2 PHE A 16 -16.056 11.407 -1.812 1.00 0.00 C ATOM 214 CZ PHE A 16 -14.992 12.202 -2.106 1.00 0.00 C ATOM 0 H PHE A 16 -14.496 7.071 2.377 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.676 9.178 1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -13.859 7.863 -0.462 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -15.389 8.126 0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.567 10.379 -0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -16.711 9.580 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -12.901 12.483 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.046 11.685 -2.143 1.00 0.00 H new ATOM 0 HZ PHE A 16 -15.136 13.111 -2.672 1.00 0.00 H new ATOM 224 N ASP A 17 -13.738 10.743 2.865 1.00 0.00 N ATOM 225 CA ASP A 17 -14.351 11.756 3.707 1.00 0.00 C ATOM 226 C ASP A 17 -14.887 12.887 2.827 1.00 0.00 C ATOM 227 O ASP A 17 -14.199 13.881 2.599 1.00 0.00 O ATOM 228 CB ASP A 17 -13.332 12.355 4.678 1.00 0.00 C ATOM 229 CG ASP A 17 -13.555 12.001 6.150 1.00 0.00 C ATOM 230 OD1 ASP A 17 -14.665 11.511 6.453 1.00 0.00 O ATOM 231 OD2 ASP A 17 -12.612 12.228 6.938 1.00 0.00 O ATOM 0 H ASP A 17 -12.734 10.854 2.727 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.154 11.284 4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.336 12.022 4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.348 13.440 4.574 1.00 0.00 H new ATOM 236 N LYS A 18 -16.112 12.698 2.357 1.00 0.00 N ATOM 237 CA LYS A 18 -16.748 13.690 1.508 1.00 0.00 C ATOM 238 C LYS A 18 -16.944 14.984 2.301 1.00 0.00 C ATOM 239 O LYS A 18 -17.111 16.054 1.718 1.00 0.00 O ATOM 240 CB LYS A 18 -18.042 13.133 0.911 1.00 0.00 C ATOM 241 CG LYS A 18 -19.088 12.888 2.000 1.00 0.00 C ATOM 242 CD LYS A 18 -19.410 11.398 2.126 1.00 0.00 C ATOM 243 CE LYS A 18 -20.477 11.156 3.196 1.00 0.00 C ATOM 244 NZ LYS A 18 -20.738 9.708 3.349 1.00 0.00 N ATOM 0 H LYS A 18 -16.680 11.873 2.548 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.109 13.930 0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.437 13.832 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.833 12.201 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.720 13.266 2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.997 13.442 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.758 11.015 1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.504 10.847 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.148 11.575 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.398 11.671 2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.464 9.561 4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.072 9.318 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.861 9.225 3.631 1.00 0.00 H new ATOM 258 N VAL A 19 -16.917 14.843 3.618 1.00 0.00 N ATOM 259 CA VAL A 19 -17.090 15.987 4.496 1.00 0.00 C ATOM 260 C VAL A 19 -16.058 17.059 4.140 1.00 0.00 C ATOM 261 O VAL A 19 -16.402 18.089 3.561 1.00 0.00 O ATOM 262 CB VAL A 19 -17.008 15.542 5.958 1.00 0.00 C ATOM 263 CG1 VAL A 19 -17.118 16.740 6.903 1.00 0.00 C ATOM 264 CG2 VAL A 19 -18.079 14.495 6.273 1.00 0.00 C ATOM 0 H VAL A 19 -16.778 13.954 4.098 1.00 0.00 H new ATOM 0 HA VAL A 19 -18.078 16.427 4.358 1.00 0.00 H new ATOM 0 HB VAL A 19 -16.033 15.081 6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -17.057 16.396 7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.304 17.437 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -18.072 17.242 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -17.999 14.196 7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -19.067 14.919 6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -17.935 13.624 5.634 1.00 0.00 H new ATOM 274 N GLY A 20 -14.814 16.780 4.499 1.00 0.00 N ATOM 275 CA GLY A 20 -13.729 17.707 4.224 1.00 0.00 C ATOM 276 C GLY A 20 -13.085 17.411 2.868 1.00 0.00 C ATOM 277 O GLY A 20 -12.100 18.045 2.493 1.00 0.00 O ATOM 0 H GLY A 20 -14.533 15.925 4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.108 18.729 4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.978 17.637 5.011 1.00 0.00 H new ATOM 281 N HIS A 21 -13.669 16.448 2.170 1.00 0.00 N ATOM 282 CA HIS A 21 -13.164 16.060 0.863 1.00 0.00 C ATOM 283 C HIS A 21 -11.742 15.513 1.004 1.00 0.00 C ATOM 284 O HIS A 21 -10.806 16.049 0.413 1.00 0.00 O ATOM 285 CB HIS A 21 -13.256 17.227 -0.123 1.00 0.00 C ATOM 286 CG HIS A 21 -14.649 17.479 -0.648 1.00 0.00 C ATOM 287 ND1 HIS A 21 -15.096 18.736 -1.015 1.00 0.00 N ATOM 288 CD2 HIS A 21 -15.688 16.622 -0.866 1.00 0.00 C ATOM 289 CE1 HIS A 21 -16.349 18.630 -1.432 1.00 0.00 C ATOM 290 NE2 HIS A 21 -16.714 17.319 -1.338 1.00 0.00 N ATOM 0 H HIS A 21 -14.486 15.925 2.484 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.783 15.263 0.451 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.894 18.132 0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.591 17.031 -0.965 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.677 15.557 -0.685 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -16.972 19.439 -1.784 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.626 16.937 -1.589 1.00 0.00 H new ATOM 298 N GLN A 22 -11.626 14.453 1.789 1.00 0.00 N ATOM 299 CA GLN A 22 -10.334 13.827 2.015 1.00 0.00 C ATOM 300 C GLN A 22 -10.432 12.315 1.800 1.00 0.00 C ATOM 301 O GLN A 22 -11.435 11.698 2.154 1.00 0.00 O ATOM 302 CB GLN A 22 -9.806 14.149 3.414 1.00 0.00 C ATOM 303 CG GLN A 22 -10.470 15.408 3.975 1.00 0.00 C ATOM 304 CD GLN A 22 -10.072 15.634 5.435 1.00 0.00 C ATOM 305 OE1 GLN A 22 -9.596 16.690 5.819 1.00 0.00 O ATOM 306 NE2 GLN A 22 -10.292 14.587 6.224 1.00 0.00 N ATOM 0 H GLN A 22 -12.405 14.011 2.277 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.625 14.232 1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.994 13.307 4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.726 14.290 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.181 16.273 3.378 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.554 15.316 3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.693 13.733 5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.059 14.638 7.216 1.00 0.00 H new ATOM 315 N LEU A 23 -9.375 11.762 1.222 1.00 0.00 N ATOM 316 CA LEU A 23 -9.330 10.334 0.956 1.00 0.00 C ATOM 317 C LEU A 23 -8.626 9.626 2.116 1.00 0.00 C ATOM 318 O LEU A 23 -7.472 9.925 2.422 1.00 0.00 O ATOM 319 CB LEU A 23 -8.692 10.063 -0.408 1.00 0.00 C ATOM 320 CG LEU A 23 -8.275 8.616 -0.678 1.00 0.00 C ATOM 321 CD1 LEU A 23 -9.432 7.816 -1.279 1.00 0.00 C ATOM 322 CD2 LEU A 23 -7.023 8.561 -1.555 1.00 0.00 C ATOM 0 H LEU A 23 -8.544 12.277 0.931 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.339 9.925 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.395 10.368 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.812 10.698 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.021 8.150 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.109 6.791 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.272 7.814 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.740 8.272 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.748 7.521 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.225 9.050 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.203 9.073 -1.051 1.00 0.00 H new ATOM 334 N ILE A 24 -9.349 8.702 2.730 1.00 0.00 N ATOM 335 CA ILE A 24 -8.809 7.949 3.848 1.00 0.00 C ATOM 336 C ILE A 24 -8.312 6.590 3.351 1.00 0.00 C ATOM 337 O ILE A 24 -8.922 5.987 2.470 1.00 0.00 O ATOM 338 CB ILE A 24 -9.838 7.852 4.976 1.00 0.00 C ATOM 339 CG1 ILE A 24 -9.926 9.168 5.753 1.00 0.00 C ATOM 340 CG2 ILE A 24 -9.537 6.665 5.893 1.00 0.00 C ATOM 341 CD1 ILE A 24 -10.189 10.344 4.811 1.00 0.00 C ATOM 0 H ILE A 24 -10.306 8.458 2.474 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.950 8.466 4.275 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.817 7.675 4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.724 9.105 6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.997 9.335 6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.283 6.619 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.565 5.742 5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.547 6.787 6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.247 11.267 5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.377 10.419 4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.130 10.185 4.285 1.00 0.00 H new ATOM 353 N VAL A 25 -7.209 6.148 3.937 1.00 0.00 N ATOM 354 CA VAL A 25 -6.623 4.872 3.564 1.00 0.00 C ATOM 355 C VAL A 25 -5.733 4.371 4.704 1.00 0.00 C ATOM 356 O VAL A 25 -4.602 4.829 4.860 1.00 0.00 O ATOM 357 CB VAL A 25 -5.875 5.007 2.237 1.00 0.00 C ATOM 358 CG1 VAL A 25 -5.183 6.368 2.134 1.00 0.00 C ATOM 359 CG2 VAL A 25 -4.871 3.867 2.054 1.00 0.00 C ATOM 0 H VAL A 25 -6.706 6.651 4.668 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.402 4.126 3.408 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.607 4.941 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.658 6.438 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.928 7.161 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.469 6.476 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.353 3.988 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.145 3.887 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.398 2.913 2.062 1.00 0.00 H new ATOM 369 N THR A 26 -6.278 3.439 5.471 1.00 0.00 N ATOM 370 CA THR A 26 -5.547 2.871 6.592 1.00 0.00 C ATOM 371 C THR A 26 -4.878 1.558 6.182 1.00 0.00 C ATOM 372 O THR A 26 -5.540 0.649 5.684 1.00 0.00 O ATOM 373 CB THR A 26 -6.521 2.718 7.762 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.390 3.938 8.486 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.076 1.644 8.757 1.00 0.00 C ATOM 0 H THR A 26 -7.217 3.063 5.339 1.00 0.00 H new ATOM 0 HA THR A 26 -4.736 3.527 6.909 1.00 0.00 H new ATOM 0 HB THR A 26 -7.511 2.471 7.379 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.666 3.853 9.141 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.802 1.576 9.567 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.009 0.682 8.248 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.100 1.908 9.165 1.00 0.00 H new ATOM 383 N ILE A 27 -3.574 1.500 6.408 1.00 0.00 N ATOM 384 CA ILE A 27 -2.807 0.313 6.068 1.00 0.00 C ATOM 385 C ILE A 27 -2.827 -0.657 7.251 1.00 0.00 C ATOM 386 O ILE A 27 -1.976 -0.581 8.136 1.00 0.00 O ATOM 387 CB ILE A 27 -1.398 0.698 5.612 1.00 0.00 C ATOM 388 CG1 ILE A 27 -1.448 1.574 4.358 1.00 0.00 C ATOM 389 CG2 ILE A 27 -0.530 -0.545 5.409 1.00 0.00 C ATOM 390 CD1 ILE A 27 -2.101 0.827 3.193 1.00 0.00 C ATOM 0 H ILE A 27 -3.029 2.256 6.822 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.260 -0.205 5.223 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.933 1.291 6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.007 2.486 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.438 1.876 4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.466 -0.244 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.456 -1.094 6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.981 -1.184 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.124 1.472 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.526 -0.071 2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.119 0.548 3.465 1.00 0.00 H new ATOM 402 N LEU A 28 -3.809 -1.547 7.229 1.00 0.00 N ATOM 403 CA LEU A 28 -3.951 -2.531 8.288 1.00 0.00 C ATOM 404 C LEU A 28 -2.645 -3.317 8.427 1.00 0.00 C ATOM 405 O LEU A 28 -1.693 -2.841 9.043 1.00 0.00 O ATOM 406 CB LEU A 28 -5.176 -3.413 8.039 1.00 0.00 C ATOM 407 CG LEU A 28 -6.530 -2.701 8.060 1.00 0.00 C ATOM 408 CD1 LEU A 28 -7.555 -3.447 7.202 1.00 0.00 C ATOM 409 CD2 LEU A 28 -7.022 -2.499 9.494 1.00 0.00 C ATOM 0 H LEU A 28 -4.514 -1.607 6.494 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.130 -2.039 9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.058 -3.899 7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.191 -4.201 8.792 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.402 -1.711 7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.509 -2.920 7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.201 -3.495 6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.686 -4.458 7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.986 -1.991 9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.130 -3.468 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.301 -1.894 10.044 1.00 0.00 H new ATOM 421 N GLY A 29 -2.643 -4.507 7.844 1.00 0.00 N ATOM 422 CA GLY A 29 -1.470 -5.363 7.895 1.00 0.00 C ATOM 423 C GLY A 29 -1.521 -6.428 6.798 1.00 0.00 C ATOM 424 O GLY A 29 -2.562 -6.635 6.177 1.00 0.00 O ATOM 0 H GLY A 29 -3.435 -4.898 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.570 -4.760 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.408 -5.844 8.871 1.00 0.00 H new ATOM 428 N ALA A 30 -0.383 -7.075 6.592 1.00 0.00 N ATOM 429 CA ALA A 30 -0.284 -8.113 5.581 1.00 0.00 C ATOM 430 C ALA A 30 -0.265 -9.483 6.262 1.00 0.00 C ATOM 431 O ALA A 30 -0.049 -9.576 7.470 1.00 0.00 O ATOM 432 CB ALA A 30 0.958 -7.872 4.721 1.00 0.00 C ATOM 0 H ALA A 30 0.479 -6.900 7.109 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.149 -8.086 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.032 -8.651 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.881 -6.899 4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.847 -7.894 5.351 1.00 0.00 H new ATOM 438 N LYS A 31 -0.494 -10.511 5.459 1.00 0.00 N ATOM 439 CA LYS A 31 -0.505 -11.871 5.969 1.00 0.00 C ATOM 440 C LYS A 31 -0.201 -12.843 4.827 1.00 0.00 C ATOM 441 O LYS A 31 -0.218 -12.458 3.659 1.00 0.00 O ATOM 442 CB LYS A 31 -1.824 -12.162 6.689 1.00 0.00 C ATOM 443 CG LYS A 31 -3.004 -12.104 5.717 1.00 0.00 C ATOM 444 CD LYS A 31 -3.481 -13.510 5.348 1.00 0.00 C ATOM 445 CE LYS A 31 -4.728 -13.893 6.147 1.00 0.00 C ATOM 446 NZ LYS A 31 -4.885 -15.364 6.189 1.00 0.00 N ATOM 0 H LYS A 31 -0.673 -10.429 4.458 1.00 0.00 H new ATOM 0 HA LYS A 31 0.277 -12.003 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.779 -13.147 7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.972 -11.438 7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.824 -11.545 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.710 -11.567 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.700 -13.555 4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.686 -14.230 5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.652 -13.500 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.610 -13.440 5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.893 -15.608 6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.367 -15.791 5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.505 -15.728 7.086 1.00 0.00 H new ATOM 460 N ASP A 32 0.070 -14.084 5.204 1.00 0.00 N ATOM 461 CA ASP A 32 0.377 -15.113 4.226 1.00 0.00 C ATOM 462 C ASP A 32 1.476 -14.608 3.289 1.00 0.00 C ATOM 463 O ASP A 32 1.386 -14.777 2.074 1.00 0.00 O ATOM 464 CB ASP A 32 -0.850 -15.450 3.377 1.00 0.00 C ATOM 465 CG ASP A 32 -2.016 -16.074 4.146 1.00 0.00 C ATOM 466 OD1 ASP A 32 -1.753 -16.599 5.250 1.00 0.00 O ATOM 467 OD2 ASP A 32 -3.145 -16.013 3.613 1.00 0.00 O ATOM 0 H ASP A 32 0.083 -14.400 6.174 1.00 0.00 H new ATOM 0 HA ASP A 32 0.699 -16.005 4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.200 -14.538 2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.548 -16.136 2.585 1.00 0.00 H new ATOM 472 N LEU A 33 2.488 -13.998 3.889 1.00 0.00 N ATOM 473 CA LEU A 33 3.602 -13.467 3.123 1.00 0.00 C ATOM 474 C LEU A 33 4.607 -14.588 2.849 1.00 0.00 C ATOM 475 O LEU A 33 4.689 -15.552 3.609 1.00 0.00 O ATOM 476 CB LEU A 33 4.210 -12.255 3.831 1.00 0.00 C ATOM 477 CG LEU A 33 3.256 -11.091 4.108 1.00 0.00 C ATOM 478 CD1 LEU A 33 4.030 -9.827 4.490 1.00 0.00 C ATOM 479 CD2 LEU A 33 2.322 -10.854 2.920 1.00 0.00 C ATOM 0 H LEU A 33 2.559 -13.860 4.897 1.00 0.00 H new ATOM 0 HA LEU A 33 3.259 -13.102 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.631 -12.587 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.038 -11.884 3.227 1.00 0.00 H new ATOM 0 HG LEU A 33 2.631 -11.356 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.329 -9.015 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.618 -10.018 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.695 -9.547 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.654 -10.022 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.912 -10.619 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.733 -11.752 2.735 1.00 0.00 H new ATOM 612 N ARG A 42 11.770 -11.572 7.116 1.00 0.00 N ATOM 613 CA ARG A 42 12.132 -10.355 6.410 1.00 0.00 C ATOM 614 C ARG A 42 11.439 -9.147 7.044 1.00 0.00 C ATOM 615 O ARG A 42 10.713 -9.289 8.027 1.00 0.00 O ATOM 616 CB ARG A 42 11.743 -10.440 4.932 1.00 0.00 C ATOM 617 CG ARG A 42 10.334 -11.015 4.768 1.00 0.00 C ATOM 618 CD ARG A 42 9.894 -10.978 3.303 1.00 0.00 C ATOM 619 NE ARG A 42 10.707 -11.925 2.507 1.00 0.00 N ATOM 620 CZ ARG A 42 10.326 -12.434 1.327 1.00 0.00 C ATOM 621 NH1 ARG A 42 9.143 -12.090 0.800 1.00 0.00 N ATOM 622 NH2 ARG A 42 11.128 -13.287 0.675 1.00 0.00 N ATOM 0 HA ARG A 42 13.213 -10.238 6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.789 -9.448 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.459 -11.065 4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.312 -12.042 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.632 -10.446 5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.838 -11.237 3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.004 -9.969 2.907 1.00 0.00 H new ATOM 0 HE ARG A 42 11.613 -12.208 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.533 -11.441 1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.853 -12.477 -0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.028 -13.549 1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.838 -13.674 -0.223 1.00 0.00 H new ATOM 636 N ASN A 43 11.688 -7.986 6.456 1.00 0.00 N ATOM 637 CA ASN A 43 11.097 -6.755 6.952 1.00 0.00 C ATOM 638 C ASN A 43 10.131 -6.200 5.903 1.00 0.00 C ATOM 639 O ASN A 43 10.535 -5.449 5.017 1.00 0.00 O ATOM 640 CB ASN A 43 12.170 -5.696 7.214 1.00 0.00 C ATOM 641 CG ASN A 43 13.288 -6.255 8.095 1.00 0.00 C ATOM 642 OD1 ASN A 43 13.113 -7.210 8.833 1.00 0.00 O ATOM 643 ND2 ASN A 43 14.444 -5.608 7.977 1.00 0.00 N ATOM 0 H ASN A 43 12.291 -7.872 5.641 1.00 0.00 H new ATOM 0 HA ASN A 43 10.578 -6.981 7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.586 -5.352 6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.720 -4.829 7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.252 -5.904 8.524 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.522 -4.815 7.340 1.00 0.00 H new ATOM 650 N PRO A 44 8.839 -6.601 6.043 1.00 0.00 N ATOM 651 CA PRO A 44 7.811 -6.152 5.119 1.00 0.00 C ATOM 652 C PRO A 44 7.426 -4.697 5.392 1.00 0.00 C ATOM 653 O PRO A 44 7.498 -4.235 6.530 1.00 0.00 O ATOM 654 CB PRO A 44 6.656 -7.119 5.314 1.00 0.00 C ATOM 655 CG PRO A 44 6.893 -7.786 6.660 1.00 0.00 C ATOM 656 CD PRO A 44 8.323 -7.489 7.081 1.00 0.00 C ATOM 0 HA PRO A 44 8.146 -6.158 4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.701 -6.594 5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.625 -7.857 4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.190 -7.408 7.402 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.732 -8.862 6.587 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.356 -7.013 8.061 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.913 -8.403 7.150 1.00 0.00 H new ATOM 664 N TYR A 45 7.025 -4.014 4.330 1.00 0.00 N ATOM 665 CA TYR A 45 6.628 -2.621 4.441 1.00 0.00 C ATOM 666 C TYR A 45 5.817 -2.183 3.220 1.00 0.00 C ATOM 667 O TYR A 45 6.199 -2.459 2.084 1.00 0.00 O ATOM 668 CB TYR A 45 7.927 -1.815 4.491 1.00 0.00 C ATOM 669 CG TYR A 45 8.523 -1.508 3.115 1.00 0.00 C ATOM 670 CD1 TYR A 45 7.908 -0.592 2.286 1.00 0.00 C ATOM 671 CD2 TYR A 45 9.674 -2.148 2.704 1.00 0.00 C ATOM 672 CE1 TYR A 45 8.469 -0.303 0.992 1.00 0.00 C ATOM 673 CE2 TYR A 45 10.235 -1.859 1.409 1.00 0.00 C ATOM 674 CZ TYR A 45 9.604 -0.951 0.617 1.00 0.00 C ATOM 675 OH TYR A 45 10.134 -0.679 -0.606 1.00 0.00 O ATOM 0 H TYR A 45 6.967 -4.400 3.388 1.00 0.00 H new ATOM 0 HA TYR A 45 6.007 -2.468 5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.740 -0.876 5.012 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.661 -2.365 5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.006 -0.092 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.154 -2.865 3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.999 0.413 0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.136 -2.352 1.075 1.00 0.00 H new ATOM 0 HH TYR A 45 9.614 -1.140 -1.298 1.00 0.00 H new ATOM 685 N VAL A 46 4.711 -1.507 3.495 1.00 0.00 N ATOM 686 CA VAL A 46 3.842 -1.028 2.433 1.00 0.00 C ATOM 687 C VAL A 46 4.312 0.356 1.982 1.00 0.00 C ATOM 688 O VAL A 46 5.063 1.023 2.692 1.00 0.00 O ATOM 689 CB VAL A 46 2.386 -1.042 2.902 1.00 0.00 C ATOM 690 CG1 VAL A 46 1.427 -0.945 1.714 1.00 0.00 C ATOM 691 CG2 VAL A 46 2.093 -2.285 3.744 1.00 0.00 C ATOM 0 H VAL A 46 4.397 -1.280 4.438 1.00 0.00 H new ATOM 0 HA VAL A 46 3.896 -1.688 1.567 1.00 0.00 H new ATOM 0 HB VAL A 46 2.228 -0.167 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.398 -0.957 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.611 -0.017 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.587 -1.792 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.051 -2.270 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.277 -3.179 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.742 -2.293 4.620 1.00 0.00 H new ATOM 701 N LYS A 47 3.850 0.747 0.803 1.00 0.00 N ATOM 702 CA LYS A 47 4.214 2.040 0.249 1.00 0.00 C ATOM 703 C LYS A 47 3.068 2.556 -0.624 1.00 0.00 C ATOM 704 O LYS A 47 2.832 2.038 -1.715 1.00 0.00 O ATOM 705 CB LYS A 47 5.554 1.951 -0.485 1.00 0.00 C ATOM 706 CG LYS A 47 6.207 3.330 -0.602 1.00 0.00 C ATOM 707 CD LYS A 47 6.808 3.535 -1.994 1.00 0.00 C ATOM 708 CE LYS A 47 8.047 2.658 -2.191 1.00 0.00 C ATOM 709 NZ LYS A 47 9.060 3.367 -3.003 1.00 0.00 N ATOM 0 H LYS A 47 3.227 0.191 0.217 1.00 0.00 H new ATOM 0 HA LYS A 47 4.362 2.768 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.221 1.273 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.401 1.531 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.467 4.105 -0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.986 3.433 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.064 3.296 -2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.075 4.583 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.470 2.393 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.766 1.726 -2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.894 2.758 -3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.659 3.598 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.341 4.244 -2.520 1.00 0.00 H new ATOM 723 N ILE A 48 2.386 3.570 -0.112 1.00 0.00 N ATOM 724 CA ILE A 48 1.271 4.162 -0.832 1.00 0.00 C ATOM 725 C ILE A 48 1.781 5.320 -1.691 1.00 0.00 C ATOM 726 O ILE A 48 2.789 5.945 -1.363 1.00 0.00 O ATOM 727 CB ILE A 48 0.158 4.561 0.140 1.00 0.00 C ATOM 728 CG1 ILE A 48 -0.229 3.387 1.041 1.00 0.00 C ATOM 729 CG2 ILE A 48 -1.048 5.128 -0.612 1.00 0.00 C ATOM 730 CD1 ILE A 48 -0.216 3.799 2.515 1.00 0.00 C ATOM 0 H ILE A 48 2.584 3.997 0.793 1.00 0.00 H new ATOM 0 HA ILE A 48 0.826 3.434 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 48 0.536 5.353 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.221 3.027 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.464 2.560 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.825 5.404 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.743 6.010 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.436 4.375 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.495 2.946 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.784 4.135 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.928 4.609 2.673 1.00 0.00 H new ATOM 742 N TYR A 49 1.062 5.572 -2.775 1.00 0.00 N ATOM 743 CA TYR A 49 1.429 6.644 -3.684 1.00 0.00 C ATOM 744 C TYR A 49 0.204 7.171 -4.434 1.00 0.00 C ATOM 745 O TYR A 49 -0.219 6.585 -5.429 1.00 0.00 O ATOM 746 CB TYR A 49 2.403 6.029 -4.691 1.00 0.00 C ATOM 747 CG TYR A 49 3.868 6.393 -4.443 1.00 0.00 C ATOM 748 CD1 TYR A 49 4.229 7.711 -4.254 1.00 0.00 C ATOM 749 CD2 TYR A 49 4.829 5.403 -4.409 1.00 0.00 C ATOM 750 CE1 TYR A 49 5.608 8.054 -4.020 1.00 0.00 C ATOM 751 CE2 TYR A 49 6.208 5.745 -4.175 1.00 0.00 C ATOM 752 CZ TYR A 49 6.529 7.054 -3.992 1.00 0.00 C ATOM 753 OH TYR A 49 7.831 7.378 -3.772 1.00 0.00 O ATOM 0 H TYR A 49 0.227 5.052 -3.044 1.00 0.00 H new ATOM 0 HA TYR A 49 1.866 7.479 -3.136 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.300 4.944 -4.665 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.124 6.352 -5.694 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.477 8.486 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.547 4.371 -4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.904 9.082 -3.870 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.970 4.980 -4.145 1.00 0.00 H new ATOM 0 HH TYR A 49 8.376 6.564 -3.777 1.00 0.00 H new ATOM 763 N PHE A 50 -0.332 8.272 -3.928 1.00 0.00 N ATOM 764 CA PHE A 50 -1.500 8.885 -4.537 1.00 0.00 C ATOM 765 C PHE A 50 -1.144 9.530 -5.878 1.00 0.00 C ATOM 766 O PHE A 50 -0.638 10.650 -5.917 1.00 0.00 O ATOM 767 CB PHE A 50 -1.988 9.970 -3.576 1.00 0.00 C ATOM 768 CG PHE A 50 -3.353 10.557 -3.942 1.00 0.00 C ATOM 769 CD1 PHE A 50 -4.482 9.824 -3.750 1.00 0.00 C ATOM 770 CD2 PHE A 50 -3.437 11.812 -4.459 1.00 0.00 C ATOM 771 CE1 PHE A 50 -5.749 10.369 -4.089 1.00 0.00 C ATOM 772 CE2 PHE A 50 -4.703 12.357 -4.799 1.00 0.00 C ATOM 773 CZ PHE A 50 -5.833 11.624 -4.607 1.00 0.00 C ATOM 0 H PHE A 50 0.021 8.756 -3.102 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.264 8.130 -4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.041 9.553 -2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.253 10.775 -3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.415 8.827 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.540 12.394 -4.611 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.646 9.787 -3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.769 13.354 -5.210 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.796 12.038 -4.866 1.00 0.00 H new ATOM 783 N LEU A 51 -1.423 8.794 -6.944 1.00 0.00 N ATOM 784 CA LEU A 51 -1.138 9.281 -8.284 1.00 0.00 C ATOM 785 C LEU A 51 -2.098 10.424 -8.621 1.00 0.00 C ATOM 786 O LEU A 51 -3.181 10.519 -8.047 1.00 0.00 O ATOM 787 CB LEU A 51 -1.175 8.129 -9.291 1.00 0.00 C ATOM 788 CG LEU A 51 0.085 7.265 -9.368 1.00 0.00 C ATOM 789 CD1 LEU A 51 1.032 7.571 -8.206 1.00 0.00 C ATOM 790 CD2 LEU A 51 -0.273 5.779 -9.440 1.00 0.00 C ATOM 0 H LEU A 51 -1.843 7.865 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.128 9.687 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.019 7.485 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.368 8.544 -10.280 1.00 0.00 H new ATOM 0 HG LEU A 51 0.614 7.514 -10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.919 6.943 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.325 8.620 -8.242 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.527 7.368 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.641 5.187 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.836 5.497 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.879 5.593 -10.327 1.00 0.00 H new ATOM 933 N ARG A 60 2.511 8.425 1.074 1.00 0.00 N ATOM 934 CA ARG A 60 2.353 7.935 2.432 1.00 0.00 C ATOM 935 C ARG A 60 2.953 6.534 2.564 1.00 0.00 C ATOM 936 O ARG A 60 2.723 5.673 1.716 1.00 0.00 O ATOM 937 CB ARG A 60 0.877 7.889 2.832 1.00 0.00 C ATOM 938 CG ARG A 60 0.370 9.280 3.218 1.00 0.00 C ATOM 939 CD ARG A 60 0.869 9.679 4.609 1.00 0.00 C ATOM 940 NE ARG A 60 0.510 11.087 4.890 1.00 0.00 N ATOM 941 CZ ARG A 60 1.032 11.810 5.890 1.00 0.00 C ATOM 942 NH1 ARG A 60 1.939 11.262 6.711 1.00 0.00 N ATOM 943 NH2 ARG A 60 0.648 13.081 6.071 1.00 0.00 N ATOM 0 HA ARG A 60 2.877 8.623 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.284 7.499 2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.745 7.204 3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.707 10.011 2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.720 9.291 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.430 9.026 5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.950 9.552 4.667 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.178 11.535 4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.232 10.295 6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.336 11.813 7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.042 13.499 5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.046 13.630 6.833 1.00 0.00 H new ATOM 957 N ARG A 61 3.712 6.348 3.634 1.00 0.00 N ATOM 958 CA ARG A 61 4.348 5.066 3.888 1.00 0.00 C ATOM 959 C ARG A 61 4.195 4.680 5.361 1.00 0.00 C ATOM 960 O ARG A 61 4.079 5.548 6.225 1.00 0.00 O ATOM 961 CB ARG A 61 5.835 5.108 3.531 1.00 0.00 C ATOM 962 CG ARG A 61 6.292 3.778 2.929 1.00 0.00 C ATOM 963 CD ARG A 61 7.804 3.599 3.080 1.00 0.00 C ATOM 964 NE ARG A 61 8.517 4.545 2.193 1.00 0.00 N ATOM 965 CZ ARG A 61 9.837 4.770 2.241 1.00 0.00 C ATOM 966 NH1 ARG A 61 10.596 4.118 3.132 1.00 0.00 N ATOM 967 NH2 ARG A 61 10.398 5.647 1.397 1.00 0.00 N ATOM 0 H ARG A 61 3.901 7.064 4.335 1.00 0.00 H new ATOM 0 HA ARG A 61 3.856 4.322 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.020 5.915 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.421 5.328 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.774 2.955 3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.021 3.740 1.874 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.097 3.768 4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.084 2.575 2.833 1.00 0.00 H new ATOM 0 HE ARG A 61 7.969 5.058 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.169 3.450 3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.601 4.289 3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.820 6.143 0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.403 5.819 1.433 1.00 0.00 H new ATOM 981 N THR A 62 4.199 3.378 5.601 1.00 0.00 N ATOM 982 CA THR A 62 4.062 2.866 6.954 1.00 0.00 C ATOM 983 C THR A 62 5.432 2.495 7.525 1.00 0.00 C ATOM 984 O THR A 62 6.407 2.379 6.784 1.00 0.00 O ATOM 985 CB THR A 62 3.080 1.693 6.920 1.00 0.00 C ATOM 986 OG1 THR A 62 3.680 0.766 6.019 1.00 0.00 O ATOM 987 CG2 THR A 62 1.754 2.059 6.250 1.00 0.00 C ATOM 0 H THR A 62 4.295 2.661 4.881 1.00 0.00 H new ATOM 0 HA THR A 62 3.660 3.625 7.625 1.00 0.00 H new ATOM 0 HB THR A 62 2.890 1.348 7.936 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.787 -0.100 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.094 1.192 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.283 2.875 6.798 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.940 2.371 5.222 1.00 0.00 H new ATOM 995 N LYS A 63 5.463 2.320 8.838 1.00 0.00 N ATOM 996 CA LYS A 63 6.697 1.964 9.517 1.00 0.00 C ATOM 997 C LYS A 63 7.186 0.609 9.001 1.00 0.00 C ATOM 998 O LYS A 63 6.382 -0.279 8.720 1.00 0.00 O ATOM 999 CB LYS A 63 6.507 2.012 11.035 1.00 0.00 C ATOM 1000 CG LYS A 63 5.198 1.335 11.445 1.00 0.00 C ATOM 1001 CD LYS A 63 5.298 0.759 12.859 1.00 0.00 C ATOM 1002 CE LYS A 63 4.283 -0.367 13.066 1.00 0.00 C ATOM 1003 NZ LYS A 63 2.981 0.183 13.505 1.00 0.00 N ATOM 0 H LYS A 63 4.653 2.418 9.450 1.00 0.00 H new ATOM 0 HA LYS A 63 7.478 2.691 9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.345 1.518 11.526 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.506 3.048 11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.382 2.056 11.399 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.960 0.538 10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.306 0.381 13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.125 1.549 13.590 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.155 -0.924 12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.657 -1.070 13.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.304 -0.594 13.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.105 0.695 14.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.618 0.836 12.781 1.00 0.00 H new ATOM 1017 N THR A 64 8.501 0.493 8.892 1.00 0.00 N ATOM 1018 CA THR A 64 9.107 -0.739 8.415 1.00 0.00 C ATOM 1019 C THR A 64 9.179 -1.770 9.543 1.00 0.00 C ATOM 1020 O THR A 64 9.916 -1.586 10.510 1.00 0.00 O ATOM 1021 CB THR A 64 10.473 -0.394 7.819 1.00 0.00 C ATOM 1022 OG1 THR A 64 10.163 0.208 6.565 1.00 0.00 O ATOM 1023 CG2 THR A 64 11.280 -1.639 7.446 1.00 0.00 C ATOM 0 H THR A 64 9.164 1.232 9.126 1.00 0.00 H new ATOM 0 HA THR A 64 8.503 -1.200 7.634 1.00 0.00 H new ATOM 0 HB THR A 64 11.039 0.205 8.532 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.993 0.464 6.111 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.241 -1.338 7.028 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.446 -2.245 8.336 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.729 -2.222 6.708 1.00 0.00 H new ATOM 1031 N VAL A 65 8.402 -2.831 9.382 1.00 0.00 N ATOM 1032 CA VAL A 65 8.368 -3.891 10.375 1.00 0.00 C ATOM 1033 C VAL A 65 9.590 -4.794 10.192 1.00 0.00 C ATOM 1034 O VAL A 65 10.012 -5.053 9.066 1.00 0.00 O ATOM 1035 CB VAL A 65 7.044 -4.652 10.283 1.00 0.00 C ATOM 1036 CG1 VAL A 65 6.644 -5.221 11.646 1.00 0.00 C ATOM 1037 CG2 VAL A 65 5.938 -3.761 9.715 1.00 0.00 C ATOM 0 H VAL A 65 7.791 -2.979 8.579 1.00 0.00 H new ATOM 0 HA VAL A 65 8.419 -3.474 11.381 1.00 0.00 H new ATOM 0 HB VAL A 65 7.185 -5.488 9.598 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.700 -5.757 11.553 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.417 -5.905 11.996 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.530 -4.406 12.361 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.008 -4.326 9.660 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.799 -2.896 10.363 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.218 -3.425 8.716 1.00 0.00 H new ATOM 1047 N LYS A 66 10.124 -5.249 11.316 1.00 0.00 N ATOM 1048 CA LYS A 66 11.288 -6.117 11.295 1.00 0.00 C ATOM 1049 C LYS A 66 10.874 -7.530 11.710 1.00 0.00 C ATOM 1050 O LYS A 66 10.124 -7.703 12.670 1.00 0.00 O ATOM 1051 CB LYS A 66 12.411 -5.529 12.151 1.00 0.00 C ATOM 1052 CG LYS A 66 12.678 -4.069 11.778 1.00 0.00 C ATOM 1053 CD LYS A 66 14.025 -3.922 11.067 1.00 0.00 C ATOM 1054 CE LYS A 66 14.600 -2.518 11.265 1.00 0.00 C ATOM 1055 NZ LYS A 66 16.075 -2.571 11.364 1.00 0.00 N ATOM 0 H LYS A 66 9.771 -5.032 12.248 1.00 0.00 H new ATOM 0 HA LYS A 66 11.692 -6.187 10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.142 -5.595 13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.320 -6.115 12.016 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.880 -3.703 11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.668 -3.453 12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.726 -4.663 11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.902 -4.122 10.003 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.308 -1.878 10.432 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.185 -2.073 12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.449 -1.610 11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.348 -3.164 12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.467 -2.976 10.490 1.00 0.00 H new ATOM 1069 N LYS A 67 11.380 -8.503 10.968 1.00 0.00 N ATOM 1070 CA LYS A 67 11.072 -9.895 11.248 1.00 0.00 C ATOM 1071 C LYS A 67 9.590 -10.023 11.606 1.00 0.00 C ATOM 1072 O LYS A 67 9.220 -9.933 12.775 1.00 0.00 O ATOM 1073 CB LYS A 67 12.013 -10.448 12.320 1.00 0.00 C ATOM 1074 CG LYS A 67 13.472 -10.362 11.866 1.00 0.00 C ATOM 1075 CD LYS A 67 14.423 -10.726 13.007 1.00 0.00 C ATOM 1076 CE LYS A 67 15.790 -11.152 12.466 1.00 0.00 C ATOM 1077 NZ LYS A 67 16.852 -10.860 13.455 1.00 0.00 N ATOM 0 H LYS A 67 12.001 -8.355 10.173 1.00 0.00 H new ATOM 0 HA LYS A 67 11.241 -10.507 10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.883 -9.889 13.247 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.756 -11.485 12.535 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.635 -11.034 11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.689 -9.353 11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.542 -9.871 13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.994 -11.534 13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.781 -12.218 12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.999 -10.627 11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.773 -11.155 13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.870 -9.839 13.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.660 -11.380 14.335 1.00 0.00 H new ATOM 1091 N THR A 68 8.781 -10.231 10.577 1.00 0.00 N ATOM 1092 CA THR A 68 7.348 -10.372 10.768 1.00 0.00 C ATOM 1093 C THR A 68 6.656 -10.650 9.432 1.00 0.00 C ATOM 1094 O THR A 68 6.599 -9.778 8.566 1.00 0.00 O ATOM 1095 CB THR A 68 6.837 -9.109 11.466 1.00 0.00 C ATOM 1096 OG1 THR A 68 5.812 -9.583 12.334 1.00 0.00 O ATOM 1097 CG2 THR A 68 6.108 -8.165 10.508 1.00 0.00 C ATOM 0 H THR A 68 9.091 -10.305 9.608 1.00 0.00 H new ATOM 0 HA THR A 68 7.116 -11.228 11.402 1.00 0.00 H new ATOM 0 HB THR A 68 7.675 -8.584 11.925 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.427 -8.829 12.828 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.766 -7.286 11.054 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.787 -7.857 9.713 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.250 -8.679 10.074 1.00 0.00 H new ATOM 1105 N LEU A 69 6.148 -11.867 9.307 1.00 0.00 N ATOM 1106 CA LEU A 69 5.462 -12.270 8.091 1.00 0.00 C ATOM 1107 C LEU A 69 4.065 -11.648 8.068 1.00 0.00 C ATOM 1108 O LEU A 69 3.429 -11.580 7.018 1.00 0.00 O ATOM 1109 CB LEU A 69 5.459 -13.794 7.959 1.00 0.00 C ATOM 1110 CG LEU A 69 6.814 -14.485 8.122 1.00 0.00 C ATOM 1111 CD1 LEU A 69 6.703 -15.985 7.843 1.00 0.00 C ATOM 1112 CD2 LEU A 69 7.879 -13.817 7.249 1.00 0.00 C ATOM 0 H LEU A 69 6.198 -12.587 10.028 1.00 0.00 H new ATOM 0 HA LEU A 69 5.991 -11.898 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.774 -14.202 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.057 -14.053 6.979 1.00 0.00 H new ATOM 0 HG LEU A 69 7.131 -14.374 9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.681 -16.451 7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.996 -16.434 8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.353 -16.140 6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.833 -14.328 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.581 -13.876 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.983 -12.771 7.538 1.00 0.00 H new ATOM 1124 N GLU A 70 3.628 -11.210 9.240 1.00 0.00 N ATOM 1125 CA GLU A 70 2.317 -10.595 9.368 1.00 0.00 C ATOM 1126 C GLU A 70 2.430 -9.246 10.080 1.00 0.00 C ATOM 1127 O GLU A 70 2.269 -9.168 11.297 1.00 0.00 O ATOM 1128 CB GLU A 70 1.346 -11.523 10.100 1.00 0.00 C ATOM 1129 CG GLU A 70 0.581 -12.407 9.113 1.00 0.00 C ATOM 1130 CD GLU A 70 0.040 -13.660 9.804 1.00 0.00 C ATOM 1131 OE1 GLU A 70 0.836 -14.612 9.957 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -1.156 -13.638 10.164 1.00 0.00 O ATOM 0 H GLU A 70 4.158 -11.269 10.109 1.00 0.00 H new ATOM 0 HA GLU A 70 1.919 -10.422 8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.896 -12.149 10.803 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.642 -10.930 10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.244 -11.843 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.238 -12.695 8.292 1.00 0.00 H new ATOM 1139 N PRO A 71 2.715 -8.191 9.271 1.00 0.00 N ATOM 1140 CA PRO A 71 2.852 -6.849 9.812 1.00 0.00 C ATOM 1141 C PRO A 71 1.486 -6.257 10.162 1.00 0.00 C ATOM 1142 O PRO A 71 0.460 -6.714 9.659 1.00 0.00 O ATOM 1143 CB PRO A 71 3.582 -6.064 8.735 1.00 0.00 C ATOM 1144 CG PRO A 71 3.415 -6.861 7.452 1.00 0.00 C ATOM 1145 CD PRO A 71 2.914 -8.247 7.826 1.00 0.00 C ATOM 0 HA PRO A 71 3.409 -6.827 10.749 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.164 -5.063 8.630 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.636 -5.944 8.986 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.709 -6.367 6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.363 -6.929 6.919 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.986 -8.486 7.307 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.637 -9.016 7.555 1.00 0.00 H new ATOM 1153 N LYS A 72 1.516 -5.248 11.020 1.00 0.00 N ATOM 1154 CA LYS A 72 0.292 -4.588 11.443 1.00 0.00 C ATOM 1155 C LYS A 72 0.569 -3.099 11.661 1.00 0.00 C ATOM 1156 O LYS A 72 0.983 -2.694 12.746 1.00 0.00 O ATOM 1157 CB LYS A 72 -0.299 -5.289 12.668 1.00 0.00 C ATOM 1158 CG LYS A 72 -0.866 -6.660 12.294 1.00 0.00 C ATOM 1159 CD LYS A 72 -1.961 -7.086 13.274 1.00 0.00 C ATOM 1160 CE LYS A 72 -1.443 -8.145 14.249 1.00 0.00 C ATOM 1161 NZ LYS A 72 -2.562 -8.963 14.768 1.00 0.00 N ATOM 0 H LYS A 72 2.369 -4.871 11.434 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.468 -4.661 10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.470 -5.405 13.431 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.086 -4.671 13.100 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.271 -6.626 11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.066 -7.400 12.293 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.315 -6.217 13.829 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.814 -7.481 12.722 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.718 -8.786 13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.923 -7.663 15.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.193 -9.677 15.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.239 -8.350 15.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.041 -9.438 13.977 1.00 0.00 H new ATOM 1175 N TRP A 73 0.331 -2.326 10.612 1.00 0.00 N ATOM 1176 CA TRP A 73 0.550 -0.891 10.675 1.00 0.00 C ATOM 1177 C TRP A 73 -0.732 -0.240 11.197 1.00 0.00 C ATOM 1178 O TRP A 73 -0.679 0.661 12.034 1.00 0.00 O ATOM 1179 CB TRP A 73 0.987 -0.343 9.315 1.00 0.00 C ATOM 1180 CG TRP A 73 2.001 -1.227 8.585 1.00 0.00 C ATOM 1181 CD1 TRP A 73 3.333 -1.244 8.726 1.00 0.00 C ATOM 1182 CD2 TRP A 73 1.707 -2.227 7.587 1.00 0.00 C ATOM 1183 NE1 TRP A 73 3.918 -2.179 7.896 1.00 0.00 N ATOM 1184 CE2 TRP A 73 2.897 -2.795 7.181 1.00 0.00 C ATOM 1185 CE3 TRP A 73 0.477 -2.638 7.045 1.00 0.00 C ATOM 1186 CZ2 TRP A 73 2.974 -3.807 6.216 1.00 0.00 C ATOM 1187 CZ3 TRP A 73 0.570 -3.650 6.081 1.00 0.00 C ATOM 1188 CH2 TRP A 73 1.761 -4.232 5.662 1.00 0.00 C ATOM 0 H TRP A 73 -0.011 -2.666 9.713 1.00 0.00 H new ATOM 0 HA TRP A 73 1.365 -0.655 11.360 1.00 0.00 H new ATOM 0 HB2 TRP A 73 0.107 -0.220 8.684 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.419 0.648 9.456 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.881 -0.606 9.404 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.915 -2.381 7.821 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.466 -2.207 7.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.918 -4.236 5.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.347 -4.003 5.632 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.750 -5.009 4.912 1.00 0.00 H new ATOM 1199 N ASN A 74 -1.855 -0.720 10.683 1.00 0.00 N ATOM 1200 CA ASN A 74 -3.148 -0.196 11.087 1.00 0.00 C ATOM 1201 C ASN A 74 -3.044 1.319 11.270 1.00 0.00 C ATOM 1202 O ASN A 74 -3.666 1.884 12.169 1.00 0.00 O ATOM 1203 CB ASN A 74 -3.597 -0.803 12.418 1.00 0.00 C ATOM 1204 CG ASN A 74 -4.849 -1.662 12.234 1.00 0.00 C ATOM 1205 OD1 ASN A 74 -5.973 -1.192 12.307 1.00 0.00 O ATOM 1206 ND2 ASN A 74 -4.595 -2.945 11.991 1.00 0.00 N ATOM 0 H ASN A 74 -1.896 -1.467 9.990 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.872 -0.450 10.313 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -2.793 -1.410 12.835 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.800 -0.007 13.135 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.365 -3.600 11.853 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.631 -3.274 11.943 1.00 0.00 H new ATOM 1213 N GLN A 75 -2.254 1.935 10.403 1.00 0.00 N ATOM 1214 CA GLN A 75 -2.061 3.375 10.458 1.00 0.00 C ATOM 1215 C GLN A 75 -3.205 4.091 9.736 1.00 0.00 C ATOM 1216 O GLN A 75 -4.161 3.455 9.296 1.00 0.00 O ATOM 1217 CB GLN A 75 -0.707 3.769 9.866 1.00 0.00 C ATOM 1218 CG GLN A 75 0.425 3.498 10.859 1.00 0.00 C ATOM 1219 CD GLN A 75 1.132 4.796 11.254 1.00 0.00 C ATOM 1220 OE1 GLN A 75 0.535 5.723 11.776 1.00 0.00 O ATOM 1221 NE2 GLN A 75 2.432 4.811 10.976 1.00 0.00 N ATOM 0 H GLN A 75 -1.740 1.464 9.659 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.067 3.684 11.503 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.531 3.210 8.947 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.716 4.826 9.599 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.024 3.013 11.749 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.144 2.808 10.417 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.869 4.000 10.538 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.992 5.633 11.201 1.00 0.00 H new ATOM 1230 N THR A 76 -3.068 5.405 9.637 1.00 0.00 N ATOM 1231 CA THR A 76 -4.077 6.215 8.977 1.00 0.00 C ATOM 1232 C THR A 76 -3.422 7.186 7.992 1.00 0.00 C ATOM 1233 O THR A 76 -2.338 7.704 8.255 1.00 0.00 O ATOM 1234 CB THR A 76 -4.906 6.913 10.058 1.00 0.00 C ATOM 1235 OG1 THR A 76 -5.691 5.866 10.623 1.00 0.00 O ATOM 1236 CG2 THR A 76 -5.938 7.878 9.472 1.00 0.00 C ATOM 0 H THR A 76 -2.273 5.929 10.003 1.00 0.00 H new ATOM 0 HA THR A 76 -4.749 5.599 8.379 1.00 0.00 H new ATOM 0 HB THR A 76 -4.242 7.456 10.731 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.258 6.230 11.334 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.499 8.346 10.281 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.429 8.647 8.891 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.623 7.329 8.826 1.00 0.00 H new ATOM 1244 N PHE A 77 -4.108 7.402 6.879 1.00 0.00 N ATOM 1245 CA PHE A 77 -3.606 8.302 5.854 1.00 0.00 C ATOM 1246 C PHE A 77 -4.750 9.074 5.195 1.00 0.00 C ATOM 1247 O PHE A 77 -5.625 8.480 4.567 1.00 0.00 O ATOM 1248 CB PHE A 77 -2.916 7.436 4.798 1.00 0.00 C ATOM 1249 CG PHE A 77 -1.713 6.651 5.326 1.00 0.00 C ATOM 1250 CD1 PHE A 77 -0.846 7.238 6.193 1.00 0.00 C ATOM 1251 CD2 PHE A 77 -1.512 5.366 4.928 1.00 0.00 C ATOM 1252 CE1 PHE A 77 0.271 6.510 6.683 1.00 0.00 C ATOM 1253 CE2 PHE A 77 -0.395 4.638 5.418 1.00 0.00 C ATOM 1254 CZ PHE A 77 0.472 5.225 6.285 1.00 0.00 C ATOM 0 H PHE A 77 -5.007 6.970 6.665 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.922 9.026 6.297 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.642 6.735 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.589 8.074 3.977 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.006 8.258 6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.201 4.899 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.960 6.977 7.371 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.235 3.618 5.102 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.321 4.671 6.658 1.00 0.00 H new ATOM 1264 N ILE A 78 -4.707 10.388 5.360 1.00 0.00 N ATOM 1265 CA ILE A 78 -5.729 11.248 4.789 1.00 0.00 C ATOM 1266 C ILE A 78 -5.139 12.018 3.605 1.00 0.00 C ATOM 1267 O ILE A 78 -4.064 12.606 3.717 1.00 0.00 O ATOM 1268 CB ILE A 78 -6.335 12.149 5.867 1.00 0.00 C ATOM 1269 CG1 ILE A 78 -7.281 11.359 6.773 1.00 0.00 C ATOM 1270 CG2 ILE A 78 -7.022 13.365 5.243 1.00 0.00 C ATOM 1271 CD1 ILE A 78 -7.313 11.952 8.183 1.00 0.00 C ATOM 0 H ILE A 78 -3.980 10.878 5.881 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.556 10.652 4.402 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.526 12.523 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.285 11.365 6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.961 10.318 6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.444 13.989 6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.293 13.943 4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.819 13.031 4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.993 11.372 8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.312 11.922 8.613 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.657 12.985 8.135 1.00 0.00 H new ATOM 1283 N TYR A 79 -5.867 11.988 2.499 1.00 0.00 N ATOM 1284 CA TYR A 79 -5.429 12.675 1.296 1.00 0.00 C ATOM 1285 C TYR A 79 -6.473 13.696 0.837 1.00 0.00 C ATOM 1286 O TYR A 79 -7.564 13.323 0.409 1.00 0.00 O ATOM 1287 CB TYR A 79 -5.283 11.595 0.223 1.00 0.00 C ATOM 1288 CG TYR A 79 -3.887 10.973 0.152 1.00 0.00 C ATOM 1289 CD1 TYR A 79 -2.804 11.747 -0.216 1.00 0.00 C ATOM 1290 CD2 TYR A 79 -3.709 9.639 0.456 1.00 0.00 C ATOM 1291 CE1 TYR A 79 -1.490 11.162 -0.282 1.00 0.00 C ATOM 1292 CE2 TYR A 79 -2.395 9.054 0.389 1.00 0.00 C ATOM 1293 CZ TYR A 79 -1.351 9.844 0.024 1.00 0.00 C ATOM 1294 OH TYR A 79 -0.110 9.292 -0.039 1.00 0.00 O ATOM 0 H TYR A 79 -6.758 11.499 2.410 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.498 13.212 1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.011 10.807 0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.527 12.026 -0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.943 12.791 -0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.555 9.033 0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.635 11.756 -0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.242 8.011 0.624 1.00 0.00 H new ATOM 0 HH TYR A 79 0.563 9.975 0.163 1.00 0.00 H new ATOM 1304 N SER A 80 -6.101 14.963 0.941 1.00 0.00 N ATOM 1305 CA SER A 80 -6.991 16.040 0.541 1.00 0.00 C ATOM 1306 C SER A 80 -6.180 17.202 -0.035 1.00 0.00 C ATOM 1307 O SER A 80 -4.978 17.305 0.205 1.00 0.00 O ATOM 1308 CB SER A 80 -7.840 16.518 1.721 1.00 0.00 C ATOM 1309 OG SER A 80 -7.461 17.821 2.157 1.00 0.00 O ATOM 0 H SER A 80 -5.195 15.268 1.297 1.00 0.00 H new ATOM 0 HA SER A 80 -7.665 15.661 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.891 16.523 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.740 15.815 2.548 1.00 0.00 H new ATOM 0 HG SER A 80 -8.027 18.091 2.910 1.00 0.00 H new ATOM 1315 N PRO A 81 -6.889 18.071 -0.805 1.00 0.00 N ATOM 1316 CA PRO A 81 -8.310 17.876 -1.039 1.00 0.00 C ATOM 1317 C PRO A 81 -8.550 16.742 -2.037 1.00 0.00 C ATOM 1318 O PRO A 81 -7.810 16.598 -3.009 1.00 0.00 O ATOM 1319 CB PRO A 81 -8.815 19.221 -1.536 1.00 0.00 C ATOM 1320 CG PRO A 81 -7.584 19.982 -2.002 1.00 0.00 C ATOM 1321 CD PRO A 81 -6.359 19.257 -1.470 1.00 0.00 C ATOM 0 HA PRO A 81 -8.847 17.571 -0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.527 19.094 -2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.331 19.762 -0.743 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.555 20.032 -3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.609 21.009 -1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.677 18.987 -2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.799 19.883 -0.776 1.00 0.00 H new ATOM 1329 N VAL A 82 -9.588 15.965 -1.763 1.00 0.00 N ATOM 1330 CA VAL A 82 -9.936 14.848 -2.625 1.00 0.00 C ATOM 1331 C VAL A 82 -11.444 14.858 -2.883 1.00 0.00 C ATOM 1332 O VAL A 82 -12.238 14.781 -1.946 1.00 0.00 O ATOM 1333 CB VAL A 82 -9.443 13.538 -2.007 1.00 0.00 C ATOM 1334 CG1 VAL A 82 -10.159 12.336 -2.628 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -7.926 13.403 -2.144 1.00 0.00 C ATOM 0 H VAL A 82 -10.199 16.087 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.441 14.943 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.682 13.559 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.791 11.417 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.232 12.422 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.965 12.311 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.602 12.463 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.653 13.415 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.439 14.234 -1.634 1.00 0.00 H new ATOM 1345 N HIS A 83 -11.794 14.954 -4.157 1.00 0.00 N ATOM 1346 CA HIS A 83 -13.192 14.975 -4.550 1.00 0.00 C ATOM 1347 C HIS A 83 -13.596 13.600 -5.085 1.00 0.00 C ATOM 1348 O HIS A 83 -12.740 12.801 -5.462 1.00 0.00 O ATOM 1349 CB HIS A 83 -13.459 16.102 -5.549 1.00 0.00 C ATOM 1350 CG HIS A 83 -12.730 17.387 -5.235 1.00 0.00 C ATOM 1351 ND1 HIS A 83 -12.648 18.440 -6.129 1.00 0.00 N ATOM 1352 CD2 HIS A 83 -12.053 17.777 -4.117 1.00 0.00 C ATOM 1353 CE1 HIS A 83 -11.949 19.414 -5.565 1.00 0.00 C ATOM 1354 NE2 HIS A 83 -11.581 19.001 -4.318 1.00 0.00 N ATOM 0 H HIS A 83 -11.133 15.018 -4.931 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.814 15.185 -3.680 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.170 15.767 -6.545 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.530 16.302 -5.578 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -13.056 18.463 -7.063 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.923 17.189 -3.220 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.712 20.367 -6.014 1.00 0.00 H new ATOM 1362 N ARG A 84 -14.900 13.366 -5.103 1.00 0.00 N ATOM 1363 CA ARG A 84 -15.427 12.101 -5.586 1.00 0.00 C ATOM 1364 C ARG A 84 -15.211 11.978 -7.095 1.00 0.00 C ATOM 1365 O ARG A 84 -14.958 10.887 -7.603 1.00 0.00 O ATOM 1366 CB ARG A 84 -16.921 11.975 -5.280 1.00 0.00 C ATOM 1367 CG ARG A 84 -17.489 10.674 -5.852 1.00 0.00 C ATOM 1368 CD ARG A 84 -16.662 9.469 -5.400 1.00 0.00 C ATOM 1369 NE ARG A 84 -17.176 8.235 -6.035 1.00 0.00 N ATOM 1370 CZ ARG A 84 -16.804 7.804 -7.248 1.00 0.00 C ATOM 1371 NH1 ARG A 84 -15.912 8.503 -7.963 1.00 0.00 N ATOM 1372 NH2 ARG A 84 -17.323 6.673 -7.745 1.00 0.00 N ATOM 0 H ARG A 84 -15.607 14.031 -4.791 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.893 11.301 -5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.079 12.002 -4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.456 12.826 -5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.523 10.552 -5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.499 10.725 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -15.615 9.616 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -16.705 9.374 -4.315 1.00 0.00 H new ATOM 0 HE ARG A 84 -17.856 7.678 -5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.516 9.363 -7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -15.629 8.175 -8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.001 6.140 -7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -17.040 6.345 -8.668 1.00 0.00 H new ATOM 1386 N ARG A 85 -15.318 13.113 -7.771 1.00 0.00 N ATOM 1387 CA ARG A 85 -15.137 13.146 -9.212 1.00 0.00 C ATOM 1388 C ARG A 85 -13.653 13.030 -9.564 1.00 0.00 C ATOM 1389 O ARG A 85 -13.303 12.667 -10.686 1.00 0.00 O ATOM 1390 CB ARG A 85 -15.696 14.440 -9.808 1.00 0.00 C ATOM 1391 CG ARG A 85 -15.131 15.664 -9.086 1.00 0.00 C ATOM 1392 CD ARG A 85 -16.253 16.509 -8.480 1.00 0.00 C ATOM 1393 NE ARG A 85 -15.728 17.318 -7.357 1.00 0.00 N ATOM 1394 CZ ARG A 85 -16.498 17.932 -6.449 1.00 0.00 C ATOM 1395 NH1 ARG A 85 -17.833 17.834 -6.525 1.00 0.00 N ATOM 1396 NH2 ARG A 85 -15.935 18.645 -5.464 1.00 0.00 N ATOM 0 H ARG A 85 -15.528 14.017 -7.347 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.681 12.301 -9.633 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.449 14.493 -10.868 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.783 14.439 -9.733 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.447 15.344 -8.300 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.553 16.268 -9.785 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.679 17.162 -9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.057 15.862 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 85 -14.716 17.414 -7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.263 17.292 -7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.419 18.302 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -14.919 18.720 -5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.522 19.112 -4.773 1.00 0.00 H new ATOM 1410 N GLU A 86 -12.819 13.345 -8.583 1.00 0.00 N ATOM 1411 CA GLU A 86 -11.380 13.281 -8.775 1.00 0.00 C ATOM 1412 C GLU A 86 -10.919 11.824 -8.853 1.00 0.00 C ATOM 1413 O GLU A 86 -9.973 11.505 -9.571 1.00 0.00 O ATOM 1414 CB GLU A 86 -10.645 14.030 -7.662 1.00 0.00 C ATOM 1415 CG GLU A 86 -10.702 15.542 -7.888 1.00 0.00 C ATOM 1416 CD GLU A 86 -9.312 16.102 -8.201 1.00 0.00 C ATOM 1417 OE1 GLU A 86 -8.472 16.085 -7.276 1.00 0.00 O ATOM 1418 OE2 GLU A 86 -9.122 16.534 -9.359 1.00 0.00 O ATOM 0 H GLU A 86 -13.112 13.645 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.137 13.769 -9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.092 13.786 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.606 13.703 -7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.382 15.765 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.104 16.031 -7.001 1.00 0.00 H new ATOM 1425 N PHE A 87 -11.610 10.977 -8.102 1.00 0.00 N ATOM 1426 CA PHE A 87 -11.283 9.562 -8.077 1.00 0.00 C ATOM 1427 C PHE A 87 -10.999 9.040 -9.487 1.00 0.00 C ATOM 1428 O PHE A 87 -10.150 8.169 -9.670 1.00 0.00 O ATOM 1429 CB PHE A 87 -12.503 8.831 -7.512 1.00 0.00 C ATOM 1430 CG PHE A 87 -12.571 8.822 -5.984 1.00 0.00 C ATOM 1431 CD1 PHE A 87 -11.738 9.619 -5.262 1.00 0.00 C ATOM 1432 CD2 PHE A 87 -13.463 8.017 -5.347 1.00 0.00 C ATOM 1433 CE1 PHE A 87 -11.800 9.611 -3.843 1.00 0.00 C ATOM 1434 CE2 PHE A 87 -13.525 8.009 -3.928 1.00 0.00 C ATOM 1435 CZ PHE A 87 -12.692 8.805 -3.206 1.00 0.00 C ATOM 0 H PHE A 87 -12.394 11.244 -7.507 1.00 0.00 H new ATOM 0 HA PHE A 87 -10.392 9.397 -7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.407 9.298 -7.903 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -12.495 7.802 -7.871 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -11.029 10.258 -5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.124 7.384 -5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.139 10.245 -3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -14.234 7.370 -3.422 1.00 0.00 H new ATOM 0 HZ PHE A 87 -12.738 8.797 -2.127 1.00 0.00 H new ATOM 1445 N ARG A 88 -11.725 9.594 -10.446 1.00 0.00 N ATOM 1446 CA ARG A 88 -11.561 9.195 -11.834 1.00 0.00 C ATOM 1447 C ARG A 88 -10.146 9.521 -12.316 1.00 0.00 C ATOM 1448 O ARG A 88 -9.511 8.706 -12.985 1.00 0.00 O ATOM 1449 CB ARG A 88 -12.575 9.903 -12.734 1.00 0.00 C ATOM 1450 CG ARG A 88 -12.128 9.867 -14.197 1.00 0.00 C ATOM 1451 CD ARG A 88 -13.245 10.352 -15.123 1.00 0.00 C ATOM 1452 NE ARG A 88 -12.672 11.128 -16.246 1.00 0.00 N ATOM 1453 CZ ARG A 88 -11.914 10.598 -17.215 1.00 0.00 C ATOM 1454 NH1 ARG A 88 -11.634 9.288 -17.206 1.00 0.00 N ATOM 1455 NH2 ARG A 88 -11.436 11.378 -18.194 1.00 0.00 N ATOM 0 H ARG A 88 -12.428 10.316 -10.290 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.730 8.120 -11.892 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -13.550 9.425 -12.636 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.693 10.937 -12.411 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.245 10.493 -14.327 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.841 8.851 -14.468 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.805 9.500 -15.508 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.948 10.970 -14.565 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.866 12.129 -16.284 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.998 8.694 -16.461 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.057 8.885 -17.944 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.649 12.375 -18.201 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -10.859 10.974 -18.932 1.00 0.00 H new ATOM 1469 N GLU A 89 -9.693 10.713 -11.958 1.00 0.00 N ATOM 1470 CA GLU A 89 -8.364 11.157 -12.346 1.00 0.00 C ATOM 1471 C GLU A 89 -7.377 10.944 -11.197 1.00 0.00 C ATOM 1472 O GLU A 89 -6.226 11.371 -11.275 1.00 0.00 O ATOM 1473 CB GLU A 89 -8.383 12.621 -12.789 1.00 0.00 C ATOM 1474 CG GLU A 89 -9.420 12.847 -13.891 1.00 0.00 C ATOM 1475 CD GLU A 89 -9.815 14.323 -13.978 1.00 0.00 C ATOM 1476 OE1 GLU A 89 -9.845 14.966 -12.906 1.00 0.00 O ATOM 1477 OE2 GLU A 89 -10.077 14.774 -15.113 1.00 0.00 O ATOM 0 H GLU A 89 -10.222 11.386 -11.403 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.036 10.559 -13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.609 13.260 -11.935 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.395 12.908 -13.150 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.016 12.518 -14.848 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.304 12.241 -13.693 1.00 0.00 H new ATOM 1484 N ARG A 90 -7.863 10.284 -10.156 1.00 0.00 N ATOM 1485 CA ARG A 90 -7.038 10.010 -8.992 1.00 0.00 C ATOM 1486 C ARG A 90 -7.121 8.528 -8.619 1.00 0.00 C ATOM 1487 O ARG A 90 -8.194 8.029 -8.283 1.00 0.00 O ATOM 1488 CB ARG A 90 -7.476 10.855 -7.794 1.00 0.00 C ATOM 1489 CG ARG A 90 -6.702 12.174 -7.742 1.00 0.00 C ATOM 1490 CD ARG A 90 -7.183 13.135 -8.831 1.00 0.00 C ATOM 1491 NE ARG A 90 -6.022 13.710 -9.547 1.00 0.00 N ATOM 1492 CZ ARG A 90 -6.120 14.566 -10.573 1.00 0.00 C ATOM 1493 NH1 ARG A 90 -7.327 14.952 -11.010 1.00 0.00 N ATOM 1494 NH2 ARG A 90 -5.013 15.037 -11.162 1.00 0.00 N ATOM 0 H ARG A 90 -8.818 9.931 -10.095 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.010 10.267 -9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.545 11.059 -7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.313 10.297 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.829 12.636 -6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.637 11.980 -7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.829 12.608 -9.533 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.778 13.933 -8.387 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.088 13.437 -9.240 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.170 14.594 -10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.402 15.604 -11.791 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.094 14.744 -10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.089 15.689 -11.943 1.00 0.00 H new ATOM 1508 N MET A 91 -5.975 7.867 -8.691 1.00 0.00 N ATOM 1509 CA MET A 91 -5.906 6.453 -8.365 1.00 0.00 C ATOM 1510 C MET A 91 -4.784 6.176 -7.362 1.00 0.00 C ATOM 1511 O MET A 91 -3.745 6.833 -7.391 1.00 0.00 O ATOM 1512 CB MET A 91 -5.660 5.646 -9.642 1.00 0.00 C ATOM 1513 CG MET A 91 -4.977 4.314 -9.326 1.00 0.00 C ATOM 1514 SD MET A 91 -4.719 3.388 -10.830 1.00 0.00 S ATOM 1515 CE MET A 91 -4.913 1.726 -10.208 1.00 0.00 C ATOM 0 H MET A 91 -5.087 8.284 -8.970 1.00 0.00 H new ATOM 0 HA MET A 91 -6.853 6.156 -7.914 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.608 5.462 -10.148 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.039 6.223 -10.327 1.00 0.00 H new ATOM 0 HG2 MET A 91 -4.022 4.494 -8.832 1.00 0.00 H new ATOM 0 HG3 MET A 91 -5.590 3.736 -8.634 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.660 1.012 -10.992 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.251 1.577 -9.355 1.00 0.00 H new ATOM 0 HE3 MET A 91 -5.946 1.572 -9.897 1.00 0.00 H new ATOM 1525 N LEU A 92 -5.033 5.202 -6.499 1.00 0.00 N ATOM 1526 CA LEU A 92 -4.057 4.830 -5.489 1.00 0.00 C ATOM 1527 C LEU A 92 -3.182 3.695 -6.025 1.00 0.00 C ATOM 1528 O LEU A 92 -3.623 2.908 -6.861 1.00 0.00 O ATOM 1529 CB LEU A 92 -4.753 4.498 -4.168 1.00 0.00 C ATOM 1530 CG LEU A 92 -4.940 5.666 -3.197 1.00 0.00 C ATOM 1531 CD1 LEU A 92 -5.996 5.336 -2.140 1.00 0.00 C ATOM 1532 CD2 LEU A 92 -3.607 6.075 -2.567 1.00 0.00 C ATOM 0 H LEU A 92 -5.896 4.659 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.395 5.668 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.733 4.077 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.180 3.720 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.306 6.524 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.110 6.182 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.949 5.132 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.683 4.458 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.769 6.907 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.189 5.230 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.913 6.380 -3.350 1.00 0.00 H new ATOM 1544 N GLU A 93 -1.957 3.646 -5.521 1.00 0.00 N ATOM 1545 CA GLU A 93 -1.017 2.621 -5.939 1.00 0.00 C ATOM 1546 C GLU A 93 -0.210 2.120 -4.739 1.00 0.00 C ATOM 1547 O GLU A 93 0.761 2.756 -4.331 1.00 0.00 O ATOM 1548 CB GLU A 93 -0.093 3.140 -7.042 1.00 0.00 C ATOM 1549 CG GLU A 93 1.095 2.199 -7.252 1.00 0.00 C ATOM 1550 CD GLU A 93 1.802 2.495 -8.576 1.00 0.00 C ATOM 1551 OE1 GLU A 93 1.209 2.161 -9.624 1.00 0.00 O ATOM 1552 OE2 GLU A 93 2.921 3.049 -8.510 1.00 0.00 O ATOM 0 H GLU A 93 -1.595 4.300 -4.827 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.582 1.783 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.652 3.239 -7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.268 4.134 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.799 2.307 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.750 1.165 -7.243 1.00 0.00 H new ATOM 1559 N ILE A 94 -0.641 0.986 -4.208 1.00 0.00 N ATOM 1560 CA ILE A 94 0.029 0.393 -3.063 1.00 0.00 C ATOM 1561 C ILE A 94 0.931 -0.747 -3.539 1.00 0.00 C ATOM 1562 O ILE A 94 0.593 -1.457 -4.486 1.00 0.00 O ATOM 1563 CB ILE A 94 -0.992 -0.032 -2.005 1.00 0.00 C ATOM 1564 CG1 ILE A 94 -2.078 1.032 -1.834 1.00 0.00 C ATOM 1565 CG2 ILE A 94 -0.302 -0.365 -0.681 1.00 0.00 C ATOM 1566 CD1 ILE A 94 -3.116 0.942 -2.955 1.00 0.00 C ATOM 0 H ILE A 94 -1.446 0.461 -4.549 1.00 0.00 H new ATOM 0 HA ILE A 94 0.672 1.127 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.484 -0.942 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.568 0.905 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.624 2.023 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.050 -0.664 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.404 -1.182 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.232 0.513 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.876 1.709 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.627 1.094 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.585 -0.042 -2.938 1.00 0.00 H new ATOM 1578 N THR A 95 2.061 -0.887 -2.862 1.00 0.00 N ATOM 1579 CA THR A 95 3.014 -1.929 -3.205 1.00 0.00 C ATOM 1580 C THR A 95 3.716 -2.445 -1.947 1.00 0.00 C ATOM 1581 O THR A 95 4.113 -1.660 -1.087 1.00 0.00 O ATOM 1582 CB THR A 95 3.978 -1.363 -4.249 1.00 0.00 C ATOM 1583 OG1 THR A 95 4.025 0.031 -3.959 1.00 0.00 O ATOM 1584 CG2 THR A 95 3.410 -1.429 -5.668 1.00 0.00 C ATOM 0 H THR A 95 2.338 -0.296 -2.078 1.00 0.00 H new ATOM 0 HA THR A 95 2.514 -2.795 -3.639 1.00 0.00 H new ATOM 0 HB THR A 95 4.919 -1.912 -4.209 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.630 0.476 -4.589 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.134 -1.015 -6.369 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.204 -2.467 -5.930 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.486 -0.852 -5.717 1.00 0.00 H new ATOM 1592 N LEU A 96 3.847 -3.762 -1.878 1.00 0.00 N ATOM 1593 CA LEU A 96 4.493 -4.391 -0.740 1.00 0.00 C ATOM 1594 C LEU A 96 5.894 -4.855 -1.146 1.00 0.00 C ATOM 1595 O LEU A 96 6.059 -5.525 -2.164 1.00 0.00 O ATOM 1596 CB LEU A 96 3.615 -5.510 -0.176 1.00 0.00 C ATOM 1597 CG LEU A 96 4.012 -6.045 1.201 1.00 0.00 C ATOM 1598 CD1 LEU A 96 3.813 -4.980 2.281 1.00 0.00 C ATOM 1599 CD2 LEU A 96 3.259 -7.337 1.526 1.00 0.00 C ATOM 0 H LEU A 96 3.516 -4.410 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 96 4.616 -3.674 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.589 -5.147 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.621 -6.340 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 96 5.074 -6.288 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.103 -5.386 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.430 -4.111 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.765 -4.683 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.560 -7.696 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.186 -7.144 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.494 -8.093 0.777 1.00 0.00 H new ATOM 1611 N TRP A 97 6.867 -4.479 -0.329 1.00 0.00 N ATOM 1612 CA TRP A 97 8.247 -4.848 -0.590 1.00 0.00 C ATOM 1613 C TRP A 97 8.863 -5.337 0.722 1.00 0.00 C ATOM 1614 O TRP A 97 8.185 -5.393 1.747 1.00 0.00 O ATOM 1615 CB TRP A 97 9.017 -3.682 -1.214 1.00 0.00 C ATOM 1616 CG TRP A 97 8.147 -2.732 -2.039 1.00 0.00 C ATOM 1617 CD1 TRP A 97 7.135 -1.963 -1.616 1.00 0.00 C ATOM 1618 CD2 TRP A 97 8.255 -2.480 -3.456 1.00 0.00 C ATOM 1619 NE1 TRP A 97 6.584 -1.237 -2.653 1.00 0.00 N ATOM 1620 CE2 TRP A 97 7.287 -1.561 -3.807 1.00 0.00 C ATOM 1621 CE3 TRP A 97 9.141 -3.011 -4.410 1.00 0.00 C ATOM 1622 CZ2 TRP A 97 7.112 -1.093 -5.115 1.00 0.00 C ATOM 1623 CZ3 TRP A 97 8.954 -2.533 -5.713 1.00 0.00 C ATOM 1624 CH2 TRP A 97 7.984 -1.608 -6.082 1.00 0.00 C ATOM 0 H TRP A 97 6.726 -3.922 0.514 1.00 0.00 H new ATOM 0 HA TRP A 97 8.299 -5.656 -1.320 1.00 0.00 H new ATOM 0 HB2 TRP A 97 9.504 -3.115 -0.420 1.00 0.00 H new ATOM 0 HB3 TRP A 97 9.806 -4.081 -1.851 1.00 0.00 H new ATOM 0 HD1 TRP A 97 6.793 -1.917 -0.593 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.804 -0.583 -2.585 1.00 0.00 H new ATOM 0 HE3 TRP A 97 9.906 -3.731 -4.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.346 -0.374 -5.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 9.609 -2.909 -6.485 1.00 0.00 H new ATOM 0 HH2 TRP A 97 7.903 -1.288 -7.110 1.00 0.00 H new ATOM 1635 N ASP A 98 10.141 -5.677 0.649 1.00 0.00 N ATOM 1636 CA ASP A 98 10.856 -6.159 1.819 1.00 0.00 C ATOM 1637 C ASP A 98 12.194 -5.426 1.931 1.00 0.00 C ATOM 1638 O ASP A 98 12.981 -5.413 0.986 1.00 0.00 O ATOM 1639 CB ASP A 98 11.145 -7.657 1.709 1.00 0.00 C ATOM 1640 CG ASP A 98 12.325 -8.152 2.549 1.00 0.00 C ATOM 1641 OD1 ASP A 98 12.682 -7.430 3.505 1.00 0.00 O ATOM 1642 OD2 ASP A 98 12.842 -9.239 2.215 1.00 0.00 O ATOM 0 H ASP A 98 10.701 -5.628 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 98 10.233 -5.975 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.252 -8.207 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.336 -7.899 0.664 1.00 0.00 H new ATOM 1647 N GLN A 99 12.412 -4.834 3.096 1.00 0.00 N ATOM 1648 CA GLN A 99 13.641 -4.100 3.345 1.00 0.00 C ATOM 1649 C GLN A 99 14.803 -5.071 3.565 1.00 0.00 C ATOM 1650 O GLN A 99 15.213 -5.306 4.701 1.00 0.00 O ATOM 1651 CB GLN A 99 13.484 -3.154 4.537 1.00 0.00 C ATOM 1652 CG GLN A 99 14.145 -1.803 4.255 1.00 0.00 C ATOM 1653 CD GLN A 99 15.336 -1.570 5.186 1.00 0.00 C ATOM 1654 OE1 GLN A 99 15.941 -2.494 5.706 1.00 0.00 O ATOM 1655 NE2 GLN A 99 15.638 -0.288 5.368 1.00 0.00 N ATOM 0 H GLN A 99 11.758 -4.848 3.878 1.00 0.00 H new ATOM 0 HA GLN A 99 13.862 -3.492 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.426 -3.007 4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.931 -3.603 5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.477 -1.766 3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.416 -1.003 4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.091 0.436 4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.417 -0.028 5.973 1.00 0.00 H new ATOM 1809 N PHE A 109 10.546 -6.343 -3.939 1.00 0.00 N ATOM 1810 CA PHE A 109 9.168 -6.246 -4.391 1.00 0.00 C ATOM 1811 C PHE A 109 8.413 -7.552 -4.132 1.00 0.00 C ATOM 1812 O PHE A 109 8.689 -8.569 -4.766 1.00 0.00 O ATOM 1813 CB PHE A 109 9.209 -5.985 -5.898 1.00 0.00 C ATOM 1814 CG PHE A 109 7.829 -5.900 -6.553 1.00 0.00 C ATOM 1815 CD1 PHE A 109 6.942 -4.952 -6.148 1.00 0.00 C ATOM 1816 CD2 PHE A 109 7.489 -6.772 -7.540 1.00 0.00 C ATOM 1817 CE1 PHE A 109 5.661 -4.873 -6.756 1.00 0.00 C ATOM 1818 CE2 PHE A 109 6.208 -6.693 -8.147 1.00 0.00 C ATOM 1819 CZ PHE A 109 5.321 -5.745 -7.743 1.00 0.00 C ATOM 0 HA PHE A 109 8.655 -5.448 -3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 109 9.744 -5.053 -6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 109 9.780 -6.780 -6.379 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.212 -4.260 -5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 109 8.194 -7.525 -7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.956 -4.120 -6.435 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.938 -7.386 -8.930 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.347 -5.684 -8.206 1.00 0.00 H new ATOM 1829 N LEU A 110 7.475 -7.480 -3.200 1.00 0.00 N ATOM 1830 CA LEU A 110 6.678 -8.643 -2.849 1.00 0.00 C ATOM 1831 C LEU A 110 5.446 -8.704 -3.754 1.00 0.00 C ATOM 1832 O LEU A 110 4.912 -9.782 -4.010 1.00 0.00 O ATOM 1833 CB LEU A 110 6.344 -8.634 -1.356 1.00 0.00 C ATOM 1834 CG LEU A 110 7.538 -8.688 -0.401 1.00 0.00 C ATOM 1835 CD1 LEU A 110 7.074 -8.780 1.053 1.00 0.00 C ATOM 1836 CD2 LEU A 110 8.486 -9.830 -0.773 1.00 0.00 C ATOM 0 H LEU A 110 7.249 -6.634 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 110 7.245 -9.558 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.770 -7.733 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.696 -9.484 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 110 8.098 -7.758 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.943 -8.817 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.470 -7.906 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.478 -9.682 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.326 -9.846 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.952 -10.779 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.856 -9.680 -1.787 1.00 0.00 H new ATOM 1848 N GLY A 111 5.031 -7.533 -4.214 1.00 0.00 N ATOM 1849 CA GLY A 111 3.872 -7.439 -5.086 1.00 0.00 C ATOM 1850 C GLY A 111 3.398 -5.990 -5.213 1.00 0.00 C ATOM 1851 O GLY A 111 3.996 -5.084 -4.635 1.00 0.00 O ATOM 0 H GLY A 111 5.477 -6.641 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.121 -7.832 -6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.065 -8.056 -4.692 1.00 0.00 H new ATOM 1855 N GLU A 112 2.327 -5.816 -5.975 1.00 0.00 N ATOM 1856 CA GLU A 112 1.766 -4.493 -6.186 1.00 0.00 C ATOM 1857 C GLU A 112 0.238 -4.549 -6.127 1.00 0.00 C ATOM 1858 O GLU A 112 -0.374 -5.467 -6.670 1.00 0.00 O ATOM 1859 CB GLU A 112 2.242 -3.901 -7.514 1.00 0.00 C ATOM 1860 CG GLU A 112 1.601 -4.626 -8.699 1.00 0.00 C ATOM 1861 CD GLU A 112 2.628 -4.885 -9.804 1.00 0.00 C ATOM 1862 OE1 GLU A 112 3.509 -4.015 -9.975 1.00 0.00 O ATOM 1863 OE2 GLU A 112 2.508 -5.947 -10.452 1.00 0.00 O ATOM 0 H GLU A 112 1.834 -6.570 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 112 2.117 -3.839 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 112 1.992 -2.841 -7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.327 -3.976 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.175 -5.572 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.779 -4.029 -9.094 1.00 0.00 H new ATOM 1870 N ILE A 113 -0.333 -3.555 -5.463 1.00 0.00 N ATOM 1871 CA ILE A 113 -1.778 -3.479 -5.326 1.00 0.00 C ATOM 1872 C ILE A 113 -2.268 -2.135 -5.867 1.00 0.00 C ATOM 1873 O ILE A 113 -2.004 -1.089 -5.275 1.00 0.00 O ATOM 1874 CB ILE A 113 -2.194 -3.747 -3.878 1.00 0.00 C ATOM 1875 CG1 ILE A 113 -1.532 -5.020 -3.345 1.00 0.00 C ATOM 1876 CG2 ILE A 113 -3.717 -3.794 -3.745 1.00 0.00 C ATOM 1877 CD1 ILE A 113 -1.976 -5.307 -1.909 1.00 0.00 C ATOM 0 H ILE A 113 0.179 -2.795 -5.014 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.258 -4.256 -5.921 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.843 -2.919 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.790 -5.864 -3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.448 -4.913 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -3.986 -3.986 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.139 -2.839 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.113 -4.590 -4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.492 -6.216 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.695 -4.472 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.058 -5.438 -1.882 1.00 0.00 H new ATOM 1889 N LEU A 114 -2.972 -2.205 -6.987 1.00 0.00 N ATOM 1890 CA LEU A 114 -3.501 -1.006 -7.615 1.00 0.00 C ATOM 1891 C LEU A 114 -5.004 -0.914 -7.344 1.00 0.00 C ATOM 1892 O LEU A 114 -5.730 -1.892 -7.513 1.00 0.00 O ATOM 1893 CB LEU A 114 -3.142 -0.977 -9.102 1.00 0.00 C ATOM 1894 CG LEU A 114 -1.771 -0.395 -9.450 1.00 0.00 C ATOM 1895 CD1 LEU A 114 -1.906 1.006 -10.051 1.00 0.00 C ATOM 1896 CD2 LEU A 114 -0.844 -0.409 -8.233 1.00 0.00 C ATOM 0 H LEU A 114 -3.189 -3.074 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.043 -0.116 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.190 -1.996 -9.487 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.903 -0.401 -9.628 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.314 -1.029 -10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.917 1.397 -10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.505 0.956 -10.960 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.393 1.665 -9.332 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.124 0.010 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.284 0.188 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.711 -1.435 -7.889 1.00 0.00 H new ATOM 1908 N ILE A 115 -5.426 0.271 -6.927 1.00 0.00 N ATOM 1909 CA ILE A 115 -6.829 0.504 -6.630 1.00 0.00 C ATOM 1910 C ILE A 115 -7.253 1.852 -7.215 1.00 0.00 C ATOM 1911 O ILE A 115 -6.645 2.880 -6.918 1.00 0.00 O ATOM 1912 CB ILE A 115 -7.087 0.376 -5.127 1.00 0.00 C ATOM 1913 CG1 ILE A 115 -6.924 -1.073 -4.663 1.00 0.00 C ATOM 1914 CG2 ILE A 115 -8.457 0.947 -4.756 1.00 0.00 C ATOM 1915 CD1 ILE A 115 -6.034 -1.154 -3.421 1.00 0.00 C ATOM 0 H ILE A 115 -4.821 1.080 -6.788 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.450 -0.257 -7.102 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.338 0.968 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.902 -1.500 -4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.490 -1.669 -5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.616 0.844 -3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.498 2.001 -5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.235 0.403 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.934 -2.195 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.049 -0.748 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.484 -0.577 -2.613 1.00 0.00 H new ATOM 1927 N GLU A 116 -8.292 1.806 -8.034 1.00 0.00 N ATOM 1928 CA GLU A 116 -8.804 3.011 -8.663 1.00 0.00 C ATOM 1929 C GLU A 116 -9.914 3.626 -7.808 1.00 0.00 C ATOM 1930 O GLU A 116 -10.970 3.021 -7.627 1.00 0.00 O ATOM 1931 CB GLU A 116 -9.301 2.721 -10.081 1.00 0.00 C ATOM 1932 CG GLU A 116 -8.138 2.362 -11.007 1.00 0.00 C ATOM 1933 CD GLU A 116 -8.470 2.700 -12.462 1.00 0.00 C ATOM 1934 OE1 GLU A 116 -9.195 1.892 -13.081 1.00 0.00 O ATOM 1935 OE2 GLU A 116 -7.992 3.760 -12.922 1.00 0.00 O ATOM 0 H GLU A 116 -8.794 0.952 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.990 3.731 -8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.019 1.901 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.826 3.593 -10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.243 2.903 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.913 1.299 -10.919 1.00 0.00 H new ATOM 1942 N LEU A 117 -9.638 4.820 -7.305 1.00 0.00 N ATOM 1943 CA LEU A 117 -10.600 5.523 -6.473 1.00 0.00 C ATOM 1944 C LEU A 117 -11.962 5.529 -7.170 1.00 0.00 C ATOM 1945 O LEU A 117 -13.000 5.538 -6.511 1.00 0.00 O ATOM 1946 CB LEU A 117 -10.083 6.919 -6.120 1.00 0.00 C ATOM 1947 CG LEU A 117 -8.664 6.986 -5.553 1.00 0.00 C ATOM 1948 CD1 LEU A 117 -8.328 8.401 -5.080 1.00 0.00 C ATOM 1949 CD2 LEU A 117 -8.467 5.950 -4.444 1.00 0.00 C ATOM 0 H LEU A 117 -8.761 5.319 -7.458 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.731 5.007 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.124 7.537 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.764 7.364 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.966 6.739 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.314 8.420 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -8.401 9.092 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.029 8.700 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.450 6.019 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.175 6.141 -3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.636 4.951 -4.845 1.00 0.00 H new ATOM 1961 N GLU A 118 -11.913 5.523 -8.494 1.00 0.00 N ATOM 1962 CA GLU A 118 -13.130 5.528 -9.288 1.00 0.00 C ATOM 1963 C GLU A 118 -14.016 4.340 -8.908 1.00 0.00 C ATOM 1964 O GLU A 118 -15.199 4.511 -8.614 1.00 0.00 O ATOM 1965 CB GLU A 118 -12.810 5.516 -10.784 1.00 0.00 C ATOM 1966 CG GLU A 118 -13.986 6.056 -11.601 1.00 0.00 C ATOM 1967 CD GLU A 118 -14.029 5.415 -12.989 1.00 0.00 C ATOM 1968 OE1 GLU A 118 -14.540 4.277 -13.074 1.00 0.00 O ATOM 1969 OE2 GLU A 118 -13.548 6.076 -13.935 1.00 0.00 O ATOM 0 H GLU A 118 -11.050 5.515 -9.037 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.676 6.447 -9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.923 6.120 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.578 4.499 -11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.920 5.857 -11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -13.899 7.138 -11.699 1.00 0.00 H new ATOM 1976 N THR A 119 -13.411 3.161 -8.925 1.00 0.00 N ATOM 1977 CA THR A 119 -14.130 1.945 -8.586 1.00 0.00 C ATOM 1978 C THR A 119 -13.622 1.377 -7.260 1.00 0.00 C ATOM 1979 O THR A 119 -13.720 0.176 -7.016 1.00 0.00 O ATOM 1980 CB THR A 119 -13.990 0.971 -9.758 1.00 0.00 C ATOM 1981 OG1 THR A 119 -12.589 0.725 -9.839 1.00 0.00 O ATOM 1982 CG2 THR A 119 -14.334 1.618 -11.101 1.00 0.00 C ATOM 0 H THR A 119 -12.430 3.022 -9.168 1.00 0.00 H new ATOM 0 HA THR A 119 -15.191 2.142 -8.433 1.00 0.00 H new ATOM 0 HB THR A 119 -14.638 0.110 -9.594 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.408 0.101 -10.573 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.218 0.884 -11.899 1.00 0.00 H new ATOM 0 HG22 THR A 119 -15.365 1.973 -11.081 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.664 2.459 -11.282 1.00 0.00 H new ATOM 1990 N ALA A 120 -13.089 2.269 -6.437 1.00 0.00 N ATOM 1991 CA ALA A 120 -12.565 1.871 -5.141 1.00 0.00 C ATOM 1992 C ALA A 120 -13.728 1.645 -4.173 1.00 0.00 C ATOM 1993 O ALA A 120 -14.467 2.576 -3.855 1.00 0.00 O ATOM 1994 CB ALA A 120 -11.587 2.935 -4.638 1.00 0.00 C ATOM 0 H ALA A 120 -13.009 3.265 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.015 0.933 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.194 2.637 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.765 3.037 -5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.105 3.889 -4.543 1.00 0.00 H new ATOM 2000 N LEU A 121 -13.855 0.402 -3.731 1.00 0.00 N ATOM 2001 CA LEU A 121 -14.916 0.041 -2.806 1.00 0.00 C ATOM 2002 C LEU A 121 -14.620 0.652 -1.434 1.00 0.00 C ATOM 2003 O LEU A 121 -13.964 0.028 -0.602 1.00 0.00 O ATOM 2004 CB LEU A 121 -15.106 -1.476 -2.775 1.00 0.00 C ATOM 2005 CG LEU A 121 -13.833 -2.315 -2.899 1.00 0.00 C ATOM 2006 CD1 LEU A 121 -12.726 -1.768 -1.995 1.00 0.00 C ATOM 2007 CD2 LEU A 121 -14.120 -3.792 -2.622 1.00 0.00 C ATOM 0 H LEU A 121 -13.241 -0.368 -3.996 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.869 0.452 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.602 -1.741 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -15.781 -1.754 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.476 -2.243 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -11.832 -2.382 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -12.497 -0.741 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -13.059 -1.790 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -13.198 -4.366 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -14.514 -3.903 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -14.853 -4.161 -3.340 1.00 0.00 H new ATOM 2019 N LEU A 122 -15.118 1.864 -1.242 1.00 0.00 N ATOM 2020 CA LEU A 122 -14.915 2.566 0.014 1.00 0.00 C ATOM 2021 C LEU A 122 -16.138 2.362 0.910 1.00 0.00 C ATOM 2022 O LEU A 122 -17.241 2.784 0.567 1.00 0.00 O ATOM 2023 CB LEU A 122 -14.578 4.036 -0.242 1.00 0.00 C ATOM 2024 CG LEU A 122 -13.382 4.301 -1.158 1.00 0.00 C ATOM 2025 CD1 LEU A 122 -13.712 5.378 -2.193 1.00 0.00 C ATOM 2026 CD2 LEU A 122 -12.134 4.651 -0.344 1.00 0.00 C ATOM 0 H LEU A 122 -15.662 2.378 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.057 2.155 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -15.455 4.519 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -14.389 4.517 0.718 1.00 0.00 H new ATOM 0 HG LEU A 122 -13.162 3.385 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.845 5.547 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -14.554 5.050 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.973 6.305 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.299 4.835 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.325 5.546 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -11.888 3.822 0.320 1.00 0.00 H new ATOM 2038 N ASP A 123 -15.901 1.715 2.042 1.00 0.00 N ATOM 2039 CA ASP A 123 -16.970 1.450 2.990 1.00 0.00 C ATOM 2040 C ASP A 123 -16.384 1.361 4.401 1.00 0.00 C ATOM 2041 O ASP A 123 -16.972 0.738 5.283 1.00 0.00 O ATOM 2042 CB ASP A 123 -17.663 0.121 2.682 1.00 0.00 C ATOM 2043 CG ASP A 123 -19.192 0.163 2.730 1.00 0.00 C ATOM 2044 OD1 ASP A 123 -19.781 0.547 1.697 1.00 0.00 O ATOM 2045 OD2 ASP A 123 -19.736 -0.190 3.798 1.00 0.00 O ATOM 0 H ASP A 123 -14.985 1.367 2.324 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.695 2.261 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.355 -0.211 1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.313 -0.628 3.393 1.00 0.00 H new ATOM 2050 N ASP A 124 -15.232 1.994 4.569 1.00 0.00 N ATOM 2051 CA ASP A 124 -14.560 1.995 5.858 1.00 0.00 C ATOM 2052 C ASP A 124 -14.509 0.565 6.402 1.00 0.00 C ATOM 2053 O ASP A 124 -14.802 0.333 7.574 1.00 0.00 O ATOM 2054 CB ASP A 124 -15.312 2.860 6.871 1.00 0.00 C ATOM 2055 CG ASP A 124 -14.728 2.855 8.285 1.00 0.00 C ATOM 2056 OD1 ASP A 124 -13.697 3.535 8.475 1.00 0.00 O ATOM 2057 OD2 ASP A 124 -15.326 2.171 9.144 1.00 0.00 O ATOM 0 H ASP A 124 -14.747 2.509 3.835 1.00 0.00 H new ATOM 0 HA ASP A 124 -13.557 2.397 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -15.331 3.887 6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -16.346 2.519 6.920 1.00 0.00 H new ATOM 2062 N GLU A 125 -14.135 -0.355 5.525 1.00 0.00 N ATOM 2063 CA GLU A 125 -14.042 -1.755 5.903 1.00 0.00 C ATOM 2064 C GLU A 125 -12.718 -2.349 5.417 1.00 0.00 C ATOM 2065 O GLU A 125 -12.172 -1.911 4.405 1.00 0.00 O ATOM 2066 CB GLU A 125 -15.232 -2.549 5.360 1.00 0.00 C ATOM 2067 CG GLU A 125 -14.975 -3.008 3.923 1.00 0.00 C ATOM 2068 CD GLU A 125 -16.199 -2.756 3.041 1.00 0.00 C ATOM 2069 OE1 GLU A 125 -17.278 -3.270 3.407 1.00 0.00 O ATOM 2070 OE2 GLU A 125 -16.029 -2.055 2.020 1.00 0.00 O ATOM 0 H GLU A 125 -13.893 -0.158 4.554 1.00 0.00 H new ATOM 0 HA GLU A 125 -14.069 -1.821 6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.416 -3.416 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.131 -1.933 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -14.114 -2.478 3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -14.729 -4.070 3.915 1.00 0.00 H new ATOM 2077 N PRO A 126 -12.229 -3.362 6.180 1.00 0.00 N ATOM 2078 CA PRO A 126 -10.980 -4.021 5.837 1.00 0.00 C ATOM 2079 C PRO A 126 -11.164 -4.961 4.645 1.00 0.00 C ATOM 2080 O PRO A 126 -12.016 -5.849 4.676 1.00 0.00 O ATOM 2081 CB PRO A 126 -10.556 -4.745 7.105 1.00 0.00 C ATOM 2082 CG PRO A 126 -11.807 -4.849 7.963 1.00 0.00 C ATOM 2083 CD PRO A 126 -12.849 -3.906 7.384 1.00 0.00 C ATOM 0 HA PRO A 126 -10.209 -3.320 5.517 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.156 -5.733 6.876 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.771 -4.196 7.624 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -12.181 -5.873 7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -11.584 -4.584 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -13.774 -4.434 7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -13.103 -3.116 8.090 1.00 0.00 H new ATOM 2091 N HIS A 127 -10.353 -4.735 3.622 1.00 0.00 N ATOM 2092 CA HIS A 127 -10.417 -5.551 2.422 1.00 0.00 C ATOM 2093 C HIS A 127 -9.030 -6.119 2.113 1.00 0.00 C ATOM 2094 O HIS A 127 -8.033 -5.400 2.175 1.00 0.00 O ATOM 2095 CB HIS A 127 -11.005 -4.756 1.255 1.00 0.00 C ATOM 2096 CG HIS A 127 -12.240 -5.379 0.648 1.00 0.00 C ATOM 2097 ND1 HIS A 127 -12.384 -6.466 -0.162 1.00 0.00 N flip ATOM 2098 CD2 HIS A 127 -13.513 -4.876 0.857 1.00 0.00 C flip ATOM 2099 CE1 HIS A 127 -13.674 -6.620 -0.433 1.00 0.00 C flip ATOM 2100 NE2 HIS A 127 -14.376 -5.635 0.197 1.00 0.00 N flip ATOM 0 H HIS A 127 -9.648 -3.998 3.600 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.088 -6.394 2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -11.249 -3.751 1.600 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -10.245 -4.651 0.481 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -13.761 -4.012 1.456 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -14.098 -7.398 -1.051 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -15.387 -5.505 0.166 1.00 0.00 H new ATOM 2108 N TRP A 128 -9.010 -7.403 1.787 1.00 0.00 N ATOM 2109 CA TRP A 128 -7.762 -8.075 1.469 1.00 0.00 C ATOM 2110 C TRP A 128 -7.594 -8.065 -0.052 1.00 0.00 C ATOM 2111 O TRP A 128 -8.367 -8.699 -0.769 1.00 0.00 O ATOM 2112 CB TRP A 128 -7.730 -9.484 2.065 1.00 0.00 C ATOM 2113 CG TRP A 128 -7.631 -9.511 3.591 1.00 0.00 C ATOM 2114 CD1 TRP A 128 -8.628 -9.619 4.481 1.00 0.00 C ATOM 2115 CD2 TRP A 128 -6.423 -9.425 4.377 1.00 0.00 C ATOM 2116 NE1 TRP A 128 -8.153 -9.608 5.776 1.00 0.00 N ATOM 2117 CE2 TRP A 128 -6.770 -9.487 5.711 1.00 0.00 C ATOM 2118 CE3 TRP A 128 -5.083 -9.299 3.973 1.00 0.00 C ATOM 2119 CZ2 TRP A 128 -5.833 -9.430 6.750 1.00 0.00 C ATOM 2120 CZ3 TRP A 128 -4.158 -9.244 5.023 1.00 0.00 C ATOM 2121 CH2 TRP A 128 -4.491 -9.305 6.371 1.00 0.00 C ATOM 0 H TRP A 128 -9.839 -7.996 1.736 1.00 0.00 H new ATOM 0 HA TRP A 128 -6.917 -7.551 1.916 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -8.630 -10.017 1.760 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -6.882 -10.025 1.646 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -9.672 -9.704 4.217 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -8.714 -9.676 6.625 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -4.790 -9.249 2.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -6.129 -9.480 7.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -3.113 -9.147 4.767 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -3.718 -9.256 7.123 1.00 0.00 H new ATOM 2132 N TYR A 129 -6.580 -7.339 -0.499 1.00 0.00 N ATOM 2133 CA TYR A 129 -6.302 -7.239 -1.922 1.00 0.00 C ATOM 2134 C TYR A 129 -5.078 -8.076 -2.301 1.00 0.00 C ATOM 2135 O TYR A 129 -3.957 -7.754 -1.912 1.00 0.00 O ATOM 2136 CB TYR A 129 -5.999 -5.764 -2.189 1.00 0.00 C ATOM 2137 CG TYR A 129 -7.116 -4.811 -1.760 1.00 0.00 C ATOM 2138 CD1 TYR A 129 -8.271 -4.719 -2.511 1.00 0.00 C ATOM 2139 CD2 TYR A 129 -6.970 -4.043 -0.623 1.00 0.00 C ATOM 2140 CE1 TYR A 129 -9.323 -3.823 -2.107 1.00 0.00 C ATOM 2141 CE2 TYR A 129 -8.022 -3.147 -0.219 1.00 0.00 C ATOM 2142 CZ TYR A 129 -9.146 -3.080 -0.981 1.00 0.00 C ATOM 2143 OH TYR A 129 -10.140 -2.234 -0.600 1.00 0.00 O ATOM 0 H TYR A 129 -5.941 -6.815 0.099 1.00 0.00 H new ATOM 0 HA TYR A 129 -7.147 -7.604 -2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.082 -5.492 -1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -5.810 -5.630 -3.254 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.385 -5.319 -3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -6.066 -4.114 -0.036 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.232 -3.742 -2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.921 -2.542 0.670 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.877 -1.769 0.222 1.00 0.00 H new ATOM 2153 N LYS A 130 -5.336 -9.134 -3.056 1.00 0.00 N ATOM 2154 CA LYS A 130 -4.270 -10.019 -3.493 1.00 0.00 C ATOM 2155 C LYS A 130 -3.129 -9.186 -4.081 1.00 0.00 C ATOM 2156 O LYS A 130 -3.365 -8.129 -4.665 1.00 0.00 O ATOM 2157 CB LYS A 130 -4.813 -11.081 -4.451 1.00 0.00 C ATOM 2158 CG LYS A 130 -4.989 -12.424 -3.739 1.00 0.00 C ATOM 2159 CD LYS A 130 -6.432 -12.609 -3.266 1.00 0.00 C ATOM 2160 CE LYS A 130 -6.995 -13.952 -3.736 1.00 0.00 C ATOM 2161 NZ LYS A 130 -8.089 -13.742 -4.710 1.00 0.00 N ATOM 0 H LYS A 130 -6.268 -9.398 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 130 -3.860 -10.568 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.769 -10.753 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.131 -11.199 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.717 -13.236 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -4.313 -12.479 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.472 -12.555 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -7.051 -11.797 -3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.203 -14.546 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.365 -14.517 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.460 -14.663 -5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.851 -13.194 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.725 -13.221 -5.534 1.00 0.00 H new ATOM 2175 N LEU A 131 -1.918 -9.693 -3.908 1.00 0.00 N ATOM 2176 CA LEU A 131 -0.740 -9.009 -4.415 1.00 0.00 C ATOM 2177 C LEU A 131 -0.407 -9.542 -5.809 1.00 0.00 C ATOM 2178 O LEU A 131 -0.545 -10.736 -6.071 1.00 0.00 O ATOM 2179 CB LEU A 131 0.416 -9.124 -3.419 1.00 0.00 C ATOM 2180 CG LEU A 131 0.320 -8.239 -2.175 1.00 0.00 C ATOM 2181 CD1 LEU A 131 0.486 -9.068 -0.899 1.00 0.00 C ATOM 2182 CD2 LEU A 131 1.323 -7.086 -2.243 1.00 0.00 C ATOM 0 H LEU A 131 -1.726 -10.570 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 131 -0.934 -7.942 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 131 0.490 -10.163 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.343 -8.885 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.676 -7.798 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.414 -8.415 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.298 -9.824 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.461 -9.556 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.234 -6.473 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.334 -7.487 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 131 1.117 -6.476 -3.122 1.00 0.00 H new ATOM 2194 N GLN A 132 0.026 -8.631 -6.668 1.00 0.00 N ATOM 2195 CA GLN A 132 0.381 -8.994 -8.030 1.00 0.00 C ATOM 2196 C GLN A 132 1.889 -8.854 -8.241 1.00 0.00 C ATOM 2197 O GLN A 132 2.469 -7.813 -7.935 1.00 0.00 O ATOM 2198 CB GLN A 132 -0.395 -8.150 -9.042 1.00 0.00 C ATOM 2199 CG GLN A 132 -1.903 -8.360 -8.891 1.00 0.00 C ATOM 2200 CD GLN A 132 -2.334 -9.697 -9.497 1.00 0.00 C ATOM 2201 OE1 GLN A 132 -1.809 -10.751 -9.177 1.00 0.00 O ATOM 2202 NE2 GLN A 132 -3.317 -9.596 -10.386 1.00 0.00 N ATOM 0 H GLN A 132 0.139 -7.642 -6.447 1.00 0.00 H new ATOM 0 HA GLN A 132 0.107 -10.037 -8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.155 -7.096 -8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -0.087 -8.415 -10.054 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -2.174 -8.331 -7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.438 -7.546 -9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -3.712 -8.682 -10.608 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -3.676 -10.432 -10.846 1.00 0.00 H new