USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 660 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 22 CYS SG : rot 3:sc= -5.34! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -7.56! C(o=-13!,f=-22!) USER MOD Single : A 1 GLY N :NH3+ 179:sc= -0.205 (180deg=-0.217) USER MOD Single : A 2 HIS : no HD1:sc= -0.233 K(o=-0.23,f=-0.9) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0988 USER MOD Single : A 7 SER OG : rot 150:sc= -0.415 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -26:sc= 0.935 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.668 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0653 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 110:sc= -1.24 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -1.84 X(o=-1.8,f=-2.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00157 USER MOD Single : A 73 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-3.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 59:sc= 0.407 USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.406 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.972 -20.336 -15.168 1.00 0.00 N ATOM 2 CA GLY A 1 0.487 -20.428 -15.086 1.00 0.00 C ATOM 3 C GLY A 1 -0.132 -19.821 -16.340 1.00 0.00 C ATOM 4 O GLY A 1 -1.350 -19.837 -16.512 1.00 0.00 O ATOM 0 H1 GLY A 1 2.393 -20.735 -14.305 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.308 -20.870 -15.995 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.253 -19.339 -15.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.182 -21.470 -14.985 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.128 -19.903 -14.200 1.00 0.00 H new ATOM 10 N HIS A 2 0.718 -19.288 -17.214 1.00 0.00 N ATOM 11 CA HIS A 2 0.246 -18.675 -18.451 1.00 0.00 C ATOM 12 C HIS A 2 -0.709 -17.524 -18.152 1.00 0.00 C ATOM 13 O HIS A 2 -0.343 -16.355 -18.270 1.00 0.00 O ATOM 14 CB HIS A 2 -0.462 -19.719 -19.316 1.00 0.00 C ATOM 15 CG HIS A 2 -0.695 -19.159 -20.692 1.00 0.00 C ATOM 16 ND1 HIS A 2 -1.724 -18.270 -20.965 1.00 0.00 N ATOM 17 CD2 HIS A 2 -0.042 -19.352 -21.884 1.00 0.00 C ATOM 18 CE1 HIS A 2 -1.660 -17.966 -22.274 1.00 0.00 C ATOM 19 NE2 HIS A 2 -0.653 -18.597 -22.882 1.00 0.00 N ATOM 0 H HIS A 2 1.730 -19.268 -17.090 1.00 0.00 H new ATOM 0 HA HIS A 2 1.108 -18.283 -18.990 1.00 0.00 H new ATOM 0 HB2 HIS A 2 0.142 -20.624 -19.378 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -1.412 -20.000 -18.861 1.00 0.00 H new ATOM 0 HD2 HIS A 2 0.816 -19.993 -22.026 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -2.341 -17.293 -22.773 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.388 -18.539 -23.865 1.00 0.00 H new ATOM 28 N MET A 3 -1.936 -17.860 -17.763 1.00 0.00 N ATOM 29 CA MET A 3 -2.928 -16.838 -17.452 1.00 0.00 C ATOM 30 C MET A 3 -2.465 -15.981 -16.278 1.00 0.00 C ATOM 31 O MET A 3 -2.564 -14.755 -16.313 1.00 0.00 O ATOM 32 CB MET A 3 -4.261 -17.502 -17.101 1.00 0.00 C ATOM 33 CG MET A 3 -4.823 -18.209 -18.335 1.00 0.00 C ATOM 34 SD MET A 3 -6.407 -18.980 -17.918 1.00 0.00 S ATOM 35 CE MET A 3 -6.605 -19.932 -19.444 1.00 0.00 C ATOM 0 H MET A 3 -2.263 -18.820 -17.657 1.00 0.00 H new ATOM 0 HA MET A 3 -3.054 -16.200 -18.327 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.120 -18.218 -16.292 1.00 0.00 H new ATOM 0 HB3 MET A 3 -4.969 -16.754 -16.744 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.957 -17.495 -19.147 1.00 0.00 H new ATOM 0 HG3 MET A 3 -4.120 -18.964 -18.687 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.537 -20.496 -19.403 1.00 0.00 H new ATOM 0 HE2 MET A 3 -6.630 -19.253 -20.296 1.00 0.00 H new ATOM 0 HE3 MET A 3 -5.768 -20.622 -19.554 1.00 0.00 H new ATOM 45 N SER A 4 -1.967 -16.638 -15.237 1.00 0.00 N ATOM 46 CA SER A 4 -1.501 -15.926 -14.055 1.00 0.00 C ATOM 47 C SER A 4 -2.604 -15.027 -13.507 1.00 0.00 C ATOM 48 O SER A 4 -3.602 -14.775 -14.183 1.00 0.00 O ATOM 49 CB SER A 4 -0.278 -15.076 -14.408 1.00 0.00 C ATOM 50 OG SER A 4 0.250 -14.494 -13.223 1.00 0.00 O ATOM 0 H SER A 4 -1.876 -17.653 -15.188 1.00 0.00 H new ATOM 0 HA SER A 4 -1.229 -16.657 -13.294 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.479 -15.692 -14.892 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.556 -14.296 -15.117 1.00 0.00 H new ATOM 0 HG SER A 4 1.034 -13.951 -13.447 1.00 0.00 H new ATOM 56 N ASP A 5 -2.414 -14.541 -12.282 1.00 0.00 N ATOM 57 CA ASP A 5 -3.396 -13.662 -11.643 1.00 0.00 C ATOM 58 C ASP A 5 -2.704 -12.438 -11.056 1.00 0.00 C ATOM 59 O ASP A 5 -2.775 -11.345 -11.617 1.00 0.00 O ATOM 60 CB ASP A 5 -4.130 -14.421 -10.537 1.00 0.00 C ATOM 61 CG ASP A 5 -5.087 -15.436 -11.153 1.00 0.00 C ATOM 62 OD1 ASP A 5 -5.352 -15.329 -12.338 1.00 0.00 O ATOM 63 OD2 ASP A 5 -5.541 -16.306 -10.428 1.00 0.00 O ATOM 0 H ASP A 5 -1.592 -14.739 -11.712 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.116 -13.335 -12.393 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.412 -14.929 -9.894 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.682 -13.722 -9.909 1.00 0.00 H new ATOM 68 N LEU A 6 -2.034 -12.622 -9.919 1.00 0.00 N ATOM 69 CA LEU A 6 -1.329 -11.521 -9.261 1.00 0.00 C ATOM 70 C LEU A 6 0.160 -11.561 -9.621 1.00 0.00 C ATOM 71 O LEU A 6 0.656 -10.689 -10.334 1.00 0.00 O ATOM 72 CB LEU A 6 -1.523 -11.630 -7.738 1.00 0.00 C ATOM 73 CG LEU A 6 -1.457 -10.247 -7.070 1.00 0.00 C ATOM 74 CD1 LEU A 6 -0.145 -9.548 -7.456 1.00 0.00 C ATOM 75 CD2 LEU A 6 -2.671 -9.389 -7.497 1.00 0.00 C ATOM 0 H LEU A 6 -1.964 -13.518 -9.436 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.737 -10.570 -9.603 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.485 -12.095 -7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.755 -12.278 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.487 -10.371 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.101 -8.568 -6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.700 -10.151 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.101 -9.429 -8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.613 -8.412 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.664 -9.263 -8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.593 -9.887 -7.195 1.00 0.00 H new ATOM 87 N SER A 7 0.863 -12.585 -9.138 1.00 0.00 N ATOM 88 CA SER A 7 2.290 -12.726 -9.432 1.00 0.00 C ATOM 89 C SER A 7 2.730 -14.175 -9.334 1.00 0.00 C ATOM 90 O SER A 7 3.866 -14.457 -8.960 1.00 0.00 O ATOM 91 CB SER A 7 3.122 -11.869 -8.485 1.00 0.00 C ATOM 92 OG SER A 7 3.177 -12.495 -7.213 1.00 0.00 O ATOM 0 H SER A 7 0.474 -13.321 -8.549 1.00 0.00 H new ATOM 0 HA SER A 7 2.450 -12.384 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.128 -11.739 -8.883 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.684 -10.875 -8.395 1.00 0.00 H new ATOM 0 HG SER A 7 4.023 -12.268 -6.773 1.00 0.00 H new ATOM 98 N THR A 8 1.825 -15.087 -9.678 1.00 0.00 N ATOM 99 CA THR A 8 2.117 -16.503 -9.638 1.00 0.00 C ATOM 100 C THR A 8 2.235 -16.969 -8.203 1.00 0.00 C ATOM 101 O THR A 8 2.185 -18.169 -7.935 1.00 0.00 O ATOM 102 CB THR A 8 3.423 -16.790 -10.389 1.00 0.00 C ATOM 103 OG1 THR A 8 3.472 -15.994 -11.564 1.00 0.00 O ATOM 104 CG2 THR A 8 3.493 -18.269 -10.774 1.00 0.00 C ATOM 0 H THR A 8 0.880 -14.861 -9.988 1.00 0.00 H new ATOM 0 HA THR A 8 1.303 -17.044 -10.120 1.00 0.00 H new ATOM 0 HB THR A 8 4.268 -16.550 -9.743 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.306 -16.173 -12.046 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.424 -18.463 -11.307 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.456 -18.882 -9.873 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.649 -18.518 -11.417 1.00 0.00 H new ATOM 112 N ALA A 9 2.404 -16.014 -7.282 1.00 0.00 N ATOM 113 CA ALA A 9 2.548 -16.335 -5.864 1.00 0.00 C ATOM 114 C ALA A 9 3.186 -15.165 -5.107 1.00 0.00 C ATOM 115 O ALA A 9 4.356 -15.224 -4.726 1.00 0.00 O ATOM 116 CB ALA A 9 3.425 -17.578 -5.726 1.00 0.00 C ATOM 0 H ALA A 9 2.444 -15.017 -7.495 1.00 0.00 H new ATOM 0 HA ALA A 9 1.563 -16.522 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.540 -17.827 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.957 -18.413 -6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.405 -17.382 -6.161 1.00 0.00 H new ATOM 122 N PRO A 10 2.441 -14.124 -4.883 1.00 0.00 N ATOM 123 CA PRO A 10 2.931 -12.917 -4.151 1.00 0.00 C ATOM 124 C PRO A 10 3.340 -13.262 -2.723 1.00 0.00 C ATOM 125 O PRO A 10 2.727 -14.115 -2.081 1.00 0.00 O ATOM 126 CB PRO A 10 1.731 -11.944 -4.189 1.00 0.00 C ATOM 127 CG PRO A 10 0.839 -12.472 -5.264 1.00 0.00 C ATOM 128 CD PRO A 10 1.050 -13.978 -5.305 1.00 0.00 C ATOM 0 HA PRO A 10 3.824 -12.485 -4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.217 -11.914 -3.229 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.055 -10.927 -4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.204 -12.233 -5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.083 -12.021 -6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.367 -14.500 -4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.886 -14.382 -6.304 1.00 0.00 H new ATOM 136 N THR A 11 4.379 -12.593 -2.235 1.00 0.00 N ATOM 137 CA THR A 11 4.877 -12.830 -0.876 1.00 0.00 C ATOM 138 C THR A 11 4.792 -11.552 -0.064 1.00 0.00 C ATOM 139 O THR A 11 4.848 -10.454 -0.607 1.00 0.00 O ATOM 140 CB THR A 11 6.331 -13.318 -0.922 1.00 0.00 C ATOM 141 OG1 THR A 11 6.447 -14.368 -1.872 1.00 0.00 O ATOM 142 CG2 THR A 11 6.741 -13.833 0.459 1.00 0.00 C ATOM 0 H THR A 11 4.895 -11.883 -2.755 1.00 0.00 H new ATOM 0 HA THR A 11 4.261 -13.596 -0.406 1.00 0.00 H new ATOM 0 HB THR A 11 6.982 -12.493 -1.210 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.376 -14.679 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.774 -14.180 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.651 -13.028 1.189 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.090 -14.659 0.747 1.00 0.00 H new ATOM 150 N LEU A 12 4.652 -11.706 1.241 1.00 0.00 N ATOM 151 CA LEU A 12 4.546 -10.555 2.125 1.00 0.00 C ATOM 152 C LEU A 12 5.626 -9.539 1.802 1.00 0.00 C ATOM 153 O LEU A 12 5.385 -8.332 1.830 1.00 0.00 O ATOM 154 CB LEU A 12 4.691 -11.000 3.595 1.00 0.00 C ATOM 155 CG LEU A 12 3.474 -11.861 4.029 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.803 -13.361 3.931 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.096 -11.537 5.482 1.00 0.00 C ATOM 0 H LEU A 12 4.609 -12.610 1.711 1.00 0.00 H new ATOM 0 HA LEU A 12 3.567 -10.098 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.610 -11.572 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.772 -10.124 4.239 1.00 0.00 H new ATOM 0 HG LEU A 12 2.643 -11.630 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.936 -13.945 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.060 -13.611 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.646 -13.592 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.241 -12.145 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.941 -11.755 6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.837 -10.481 5.564 1.00 0.00 H new ATOM 169 N ASP A 13 6.816 -10.022 1.496 1.00 0.00 N ATOM 170 CA ASP A 13 7.903 -9.119 1.177 1.00 0.00 C ATOM 171 C ASP A 13 7.649 -8.428 -0.147 1.00 0.00 C ATOM 172 O ASP A 13 7.942 -7.251 -0.292 1.00 0.00 O ATOM 173 CB ASP A 13 9.232 -9.865 1.099 1.00 0.00 C ATOM 174 CG ASP A 13 9.308 -10.902 2.212 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.815 -10.618 3.292 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.844 -11.969 1.969 1.00 0.00 O ATOM 0 H ASP A 13 7.051 -11.014 1.462 1.00 0.00 H new ATOM 0 HA ASP A 13 7.956 -8.377 1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.330 -10.352 0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.060 -9.162 1.188 1.00 0.00 H new ATOM 181 N SER A 14 7.095 -9.160 -1.116 1.00 0.00 N ATOM 182 CA SER A 14 6.822 -8.572 -2.419 1.00 0.00 C ATOM 183 C SER A 14 5.750 -7.508 -2.310 1.00 0.00 C ATOM 184 O SER A 14 5.815 -6.467 -2.981 1.00 0.00 O ATOM 185 CB SER A 14 6.383 -9.629 -3.413 1.00 0.00 C ATOM 186 OG SER A 14 5.205 -10.263 -2.937 1.00 0.00 O ATOM 0 H SER A 14 6.833 -10.141 -1.022 1.00 0.00 H new ATOM 0 HA SER A 14 7.746 -8.117 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.197 -9.174 -4.386 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.175 -10.365 -3.552 1.00 0.00 H new ATOM 0 HG SER A 14 5.175 -10.206 -1.959 1.00 0.00 H new ATOM 192 N LEU A 15 4.734 -7.758 -1.506 1.00 0.00 N ATOM 193 CA LEU A 15 3.671 -6.782 -1.374 1.00 0.00 C ATOM 194 C LEU A 15 4.172 -5.617 -0.516 1.00 0.00 C ATOM 195 O LEU A 15 4.279 -4.483 -0.981 1.00 0.00 O ATOM 196 CB LEU A 15 2.418 -7.411 -0.743 1.00 0.00 C ATOM 197 CG LEU A 15 2.155 -8.792 -1.383 1.00 0.00 C ATOM 198 CD1 LEU A 15 1.286 -9.657 -0.447 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.487 -8.599 -2.757 1.00 0.00 C ATOM 0 H LEU A 15 4.623 -8.605 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 15 3.394 -6.420 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.555 -7.517 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.557 -6.760 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 15 3.099 -9.316 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.108 -10.628 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.802 -9.797 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.333 -9.158 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.300 -9.572 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.542 -8.070 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.145 -8.018 -3.403 1.00 0.00 H new ATOM 211 N ARG A 16 4.471 -5.916 0.741 1.00 0.00 N ATOM 212 CA ARG A 16 4.944 -4.894 1.678 1.00 0.00 C ATOM 213 C ARG A 16 5.858 -3.893 0.970 1.00 0.00 C ATOM 214 O ARG A 16 5.643 -2.671 1.053 1.00 0.00 O ATOM 215 CB ARG A 16 5.704 -5.571 2.829 1.00 0.00 C ATOM 216 CG ARG A 16 6.290 -4.513 3.797 1.00 0.00 C ATOM 217 CD ARG A 16 7.760 -4.196 3.465 1.00 0.00 C ATOM 218 NE ARG A 16 8.361 -3.463 4.573 1.00 0.00 N ATOM 219 CZ ARG A 16 8.013 -2.206 4.834 1.00 0.00 C ATOM 220 NH1 ARG A 16 7.103 -1.618 4.104 1.00 0.00 N ATOM 221 NH2 ARG A 16 8.573 -1.563 5.824 1.00 0.00 N ATOM 0 H ARG A 16 4.396 -6.852 1.139 1.00 0.00 H new ATOM 0 HA ARG A 16 4.084 -4.353 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.033 -6.236 3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.508 -6.188 2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.698 -3.599 3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.218 -4.877 4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.311 -5.119 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.818 -3.606 2.550 1.00 0.00 H new ATOM 0 HE ARG A 16 9.060 -3.922 5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.661 -2.123 3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.835 -0.654 4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.278 -2.025 6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.305 -0.599 6.023 1.00 0.00 H new ATOM 235 N VAL A 17 6.858 -4.408 0.258 1.00 0.00 N ATOM 236 CA VAL A 17 7.777 -3.549 -0.472 1.00 0.00 C ATOM 237 C VAL A 17 6.996 -2.738 -1.517 1.00 0.00 C ATOM 238 O VAL A 17 7.249 -1.551 -1.698 1.00 0.00 O ATOM 239 CB VAL A 17 8.849 -4.404 -1.162 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.629 -5.244 -0.119 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.152 -5.314 -2.154 1.00 0.00 C ATOM 0 H VAL A 17 7.049 -5.406 0.173 1.00 0.00 H new ATOM 0 HA VAL A 17 8.265 -2.864 0.222 1.00 0.00 H new ATOM 0 HB VAL A 17 9.566 -3.763 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.385 -5.844 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.114 -4.578 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.938 -5.902 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.891 -5.935 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.443 -5.952 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.620 -4.711 -2.890 1.00 0.00 H new ATOM 251 N TRP A 18 6.033 -3.382 -2.203 1.00 0.00 N ATOM 252 CA TRP A 18 5.230 -2.671 -3.212 1.00 0.00 C ATOM 253 C TRP A 18 4.589 -1.408 -2.607 1.00 0.00 C ATOM 254 O TRP A 18 4.687 -0.321 -3.175 1.00 0.00 O ATOM 255 CB TRP A 18 4.125 -3.620 -3.792 1.00 0.00 C ATOM 256 CG TRP A 18 2.735 -3.185 -3.357 1.00 0.00 C ATOM 257 CD1 TRP A 18 1.974 -3.783 -2.399 1.00 0.00 C ATOM 258 CD2 TRP A 18 1.929 -2.064 -3.846 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.805 -3.091 -2.250 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.724 -2.031 -3.108 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.118 -1.072 -4.832 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.242 -1.073 -3.320 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.130 -0.100 -5.051 1.00 0.00 C ATOM 264 CH2 TRP A 18 -0.044 -0.105 -4.284 1.00 0.00 C ATOM 0 H TRP A 18 5.797 -4.367 -2.082 1.00 0.00 H new ATOM 0 HA TRP A 18 5.890 -2.364 -4.023 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.182 -3.625 -4.880 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.309 -4.641 -3.459 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.251 -4.667 -1.843 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.079 -3.337 -1.577 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.025 -1.061 -5.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.150 -1.079 -2.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.274 0.653 -5.811 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.797 0.652 -4.448 1.00 0.00 H new ATOM 275 N LEU A 19 3.928 -1.574 -1.460 1.00 0.00 N ATOM 276 CA LEU A 19 3.258 -0.457 -0.783 1.00 0.00 C ATOM 277 C LEU A 19 4.222 0.688 -0.520 1.00 0.00 C ATOM 278 O LEU A 19 4.022 1.805 -1.007 1.00 0.00 O ATOM 279 CB LEU A 19 2.666 -0.976 0.560 1.00 0.00 C ATOM 280 CG LEU A 19 1.142 -1.242 0.428 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.758 -2.511 1.193 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.355 -0.038 0.985 1.00 0.00 C ATOM 0 H LEU A 19 3.841 -2.469 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 19 2.464 -0.076 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.175 -1.893 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.845 -0.244 1.348 1.00 0.00 H new ATOM 0 HG LEU A 19 0.897 -1.379 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.313 -2.686 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.305 -3.361 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.009 -2.390 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.714 -0.227 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.607 0.107 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.615 0.859 0.423 1.00 0.00 H new ATOM 294 N VAL A 20 5.269 0.423 0.241 1.00 0.00 N ATOM 295 CA VAL A 20 6.231 1.474 0.543 1.00 0.00 C ATOM 296 C VAL A 20 6.852 2.017 -0.734 1.00 0.00 C ATOM 297 O VAL A 20 6.945 3.230 -0.920 1.00 0.00 O ATOM 298 CB VAL A 20 7.314 0.915 1.459 1.00 0.00 C ATOM 299 CG1 VAL A 20 7.904 -0.349 0.838 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.416 1.954 1.641 1.00 0.00 C ATOM 0 H VAL A 20 5.475 -0.487 0.654 1.00 0.00 H new ATOM 0 HA VAL A 20 5.717 2.294 1.044 1.00 0.00 H new ATOM 0 HB VAL A 20 6.879 0.675 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.678 -0.749 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.118 -1.093 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.338 -0.109 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.189 1.553 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.851 2.196 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.996 2.856 2.086 1.00 0.00 H new ATOM 310 N ASP A 21 7.300 1.121 -1.594 1.00 0.00 N ATOM 311 CA ASP A 21 7.933 1.540 -2.829 1.00 0.00 C ATOM 312 C ASP A 21 6.974 2.394 -3.652 1.00 0.00 C ATOM 313 O ASP A 21 7.390 3.334 -4.334 1.00 0.00 O ATOM 314 CB ASP A 21 8.355 0.308 -3.628 1.00 0.00 C ATOM 315 CG ASP A 21 9.564 -0.355 -2.976 1.00 0.00 C ATOM 316 OD1 ASP A 21 10.167 0.266 -2.118 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.869 -1.477 -3.349 1.00 0.00 O ATOM 0 H ASP A 21 7.238 0.111 -1.463 1.00 0.00 H new ATOM 0 HA ASP A 21 8.814 2.138 -2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.528 -0.400 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.596 0.595 -4.652 1.00 0.00 H new ATOM 322 N CYS A 22 5.688 2.073 -3.569 1.00 0.00 N ATOM 323 CA CYS A 22 4.683 2.831 -4.300 1.00 0.00 C ATOM 324 C CYS A 22 4.661 4.280 -3.831 1.00 0.00 C ATOM 325 O CYS A 22 4.680 5.203 -4.648 1.00 0.00 O ATOM 326 CB CYS A 22 3.300 2.217 -4.092 1.00 0.00 C ATOM 327 SG CYS A 22 2.104 3.087 -5.129 1.00 0.00 S ATOM 0 H CYS A 22 5.321 1.303 -3.010 1.00 0.00 H new ATOM 0 HA CYS A 22 4.940 2.799 -5.359 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.317 1.157 -4.346 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.011 2.289 -3.044 1.00 0.00 H new ATOM 0 HG CYS A 22 2.719 3.982 -5.843 1.00 0.00 H new ATOM 333 N VAL A 23 4.616 4.483 -2.517 1.00 0.00 N ATOM 334 CA VAL A 23 4.586 5.843 -1.985 1.00 0.00 C ATOM 335 C VAL A 23 5.863 6.587 -2.383 1.00 0.00 C ATOM 336 O VAL A 23 5.806 7.721 -2.859 1.00 0.00 O ATOM 337 CB VAL A 23 4.486 5.812 -0.462 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.295 7.228 0.099 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.314 4.938 -0.020 1.00 0.00 C ATOM 0 H VAL A 23 4.600 3.743 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 23 3.716 6.356 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 23 5.416 5.395 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.226 7.183 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.144 7.850 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.379 7.659 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.258 4.928 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.386 5.340 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.460 3.922 -0.386 1.00 0.00 H new ATOM 349 N ALA A 24 7.020 5.951 -2.178 1.00 0.00 N ATOM 350 CA ALA A 24 8.295 6.582 -2.514 1.00 0.00 C ATOM 351 C ALA A 24 8.247 7.135 -3.928 1.00 0.00 C ATOM 352 O ALA A 24 8.583 8.289 -4.161 1.00 0.00 O ATOM 353 CB ALA A 24 9.432 5.565 -2.406 1.00 0.00 C ATOM 0 H ALA A 24 7.098 5.012 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 24 8.473 7.397 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.376 6.047 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.482 5.181 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.250 4.741 -3.095 1.00 0.00 H new ATOM 359 N GLY A 25 7.848 6.295 -4.867 1.00 0.00 N ATOM 360 CA GLY A 25 7.775 6.724 -6.252 1.00 0.00 C ATOM 361 C GLY A 25 6.773 7.865 -6.408 1.00 0.00 C ATOM 362 O GLY A 25 7.033 8.831 -7.126 1.00 0.00 O ATOM 0 H GLY A 25 7.574 5.327 -4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.759 7.048 -6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.481 5.885 -6.883 1.00 0.00 H new ATOM 366 N HIS A 26 5.623 7.747 -5.744 1.00 0.00 N ATOM 367 CA HIS A 26 4.593 8.781 -5.841 1.00 0.00 C ATOM 368 C HIS A 26 5.118 10.143 -5.392 1.00 0.00 C ATOM 369 O HIS A 26 4.993 11.129 -6.121 1.00 0.00 O ATOM 370 CB HIS A 26 3.385 8.398 -4.972 1.00 0.00 C ATOM 371 CG HIS A 26 2.588 7.318 -5.650 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.124 7.449 -6.949 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.146 6.094 -5.217 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.437 6.332 -7.249 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.419 5.476 -6.229 1.00 0.00 N ATOM 0 H HIS A 26 5.383 6.959 -5.142 1.00 0.00 H new ATOM 0 HA HIS A 26 4.297 8.854 -6.888 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.724 8.053 -3.995 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.757 9.272 -4.801 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.334 5.674 -4.240 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.959 6.152 -8.200 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.968 4.562 -6.197 1.00 0.00 H new ATOM 384 N LEU A 27 5.700 10.212 -4.195 1.00 0.00 N ATOM 385 CA LEU A 27 6.220 11.486 -3.701 1.00 0.00 C ATOM 386 C LEU A 27 7.627 11.742 -4.232 1.00 0.00 C ATOM 387 O LEU A 27 8.004 12.883 -4.498 1.00 0.00 O ATOM 388 CB LEU A 27 6.231 11.456 -2.171 1.00 0.00 C ATOM 389 CG LEU A 27 4.828 11.098 -1.658 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.847 11.013 -0.130 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.814 12.168 -2.101 1.00 0.00 C ATOM 0 H LEU A 27 5.822 9.421 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 27 5.579 12.294 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.958 10.725 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.537 12.426 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 27 4.533 10.135 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.851 10.759 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.554 10.245 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.150 11.975 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.823 11.905 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.107 13.137 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.794 12.222 -3.189 1.00 0.00 H new ATOM 403 N GLY A 28 8.403 10.672 -4.370 1.00 0.00 N ATOM 404 CA GLY A 28 9.782 10.756 -4.855 1.00 0.00 C ATOM 405 C GLY A 28 10.779 10.714 -3.694 1.00 0.00 C ATOM 406 O GLY A 28 11.991 10.728 -3.907 1.00 0.00 O ATOM 0 H GLY A 28 8.098 9.724 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.981 9.931 -5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.916 11.678 -5.420 1.00 0.00 H new ATOM 410 N LEU A 29 10.266 10.673 -2.464 1.00 0.00 N ATOM 411 CA LEU A 29 11.128 10.645 -1.283 1.00 0.00 C ATOM 412 C LEU A 29 11.828 9.292 -1.166 1.00 0.00 C ATOM 413 O LEU A 29 11.666 8.422 -2.022 1.00 0.00 O ATOM 414 CB LEU A 29 10.312 10.915 -0.015 1.00 0.00 C ATOM 415 CG LEU A 29 9.457 12.171 -0.202 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.641 12.421 1.069 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.354 13.383 -0.491 1.00 0.00 C ATOM 0 H LEU A 29 9.267 10.659 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 29 11.880 11.427 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.673 10.060 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.980 11.043 0.837 1.00 0.00 H new ATOM 0 HG LEU A 29 8.783 12.025 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.031 13.315 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.994 11.565 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.316 12.562 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.735 14.271 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.037 13.537 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.927 13.203 -1.400 1.00 0.00 H new ATOM 429 N ASP A 30 12.605 9.121 -0.099 1.00 0.00 N ATOM 430 CA ASP A 30 13.325 7.866 0.117 1.00 0.00 C ATOM 431 C ASP A 30 12.412 6.823 0.763 1.00 0.00 C ATOM 432 O ASP A 30 11.741 7.101 1.755 1.00 0.00 O ATOM 433 CB ASP A 30 14.541 8.112 1.018 1.00 0.00 C ATOM 434 CG ASP A 30 15.687 8.732 0.220 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.553 8.847 -0.988 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.679 9.089 0.831 1.00 0.00 O ATOM 0 H ASP A 30 12.752 9.826 0.623 1.00 0.00 H new ATOM 0 HA ASP A 30 13.657 7.489 -0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.264 8.773 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.867 7.171 1.462 1.00 0.00 H new ATOM 441 N ALA A 31 12.403 5.619 0.191 1.00 0.00 N ATOM 442 CA ALA A 31 11.578 4.531 0.708 1.00 0.00 C ATOM 443 C ALA A 31 11.946 4.182 2.146 1.00 0.00 C ATOM 444 O ALA A 31 11.068 3.905 2.971 1.00 0.00 O ATOM 445 CB ALA A 31 11.741 3.290 -0.172 1.00 0.00 C ATOM 0 H ALA A 31 12.957 5.374 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 31 10.541 4.866 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.123 2.482 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.431 3.523 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.786 2.979 -0.173 1.00 0.00 H new ATOM 451 N ALA A 32 13.237 4.232 2.458 1.00 0.00 N ATOM 452 CA ALA A 32 13.700 3.921 3.802 1.00 0.00 C ATOM 453 C ALA A 32 13.169 4.921 4.816 1.00 0.00 C ATOM 454 O ALA A 32 13.250 4.691 6.023 1.00 0.00 O ATOM 455 CB ALA A 32 15.229 3.930 3.831 1.00 0.00 C ATOM 0 H ALA A 32 13.976 4.484 1.801 1.00 0.00 H new ATOM 0 HA ALA A 32 13.326 2.933 4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.575 3.697 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.611 3.184 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.593 4.916 3.541 1.00 0.00 H new ATOM 461 N THR A 33 12.626 6.034 4.333 1.00 0.00 N ATOM 462 CA THR A 33 12.086 7.059 5.227 1.00 0.00 C ATOM 463 C THR A 33 10.718 7.533 4.748 1.00 0.00 C ATOM 464 O THR A 33 10.377 8.707 4.894 1.00 0.00 O ATOM 465 CB THR A 33 13.064 8.244 5.303 1.00 0.00 C ATOM 466 OG1 THR A 33 13.656 8.447 4.030 1.00 0.00 O ATOM 467 CG2 THR A 33 14.161 7.948 6.335 1.00 0.00 C ATOM 0 H THR A 33 12.547 6.250 3.339 1.00 0.00 H new ATOM 0 HA THR A 33 11.964 6.627 6.220 1.00 0.00 H new ATOM 0 HB THR A 33 12.521 9.140 5.603 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.278 9.203 4.075 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.851 8.791 6.385 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.707 7.792 7.314 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.705 7.051 6.040 1.00 0.00 H new ATOM 475 N ILE A 34 9.931 6.626 4.172 1.00 0.00 N ATOM 476 CA ILE A 34 8.608 7.013 3.691 1.00 0.00 C ATOM 477 C ILE A 34 7.659 7.232 4.854 1.00 0.00 C ATOM 478 O ILE A 34 7.315 8.370 5.172 1.00 0.00 O ATOM 479 CB ILE A 34 8.089 5.925 2.712 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.492 6.314 1.279 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.566 5.717 2.786 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.664 7.496 0.761 1.00 0.00 C ATOM 0 H ILE A 34 10.177 5.646 4.030 1.00 0.00 H new ATOM 0 HA ILE A 34 8.670 7.960 3.154 1.00 0.00 H new ATOM 0 HB ILE A 34 8.544 4.979 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.551 6.573 1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.358 5.458 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.269 4.944 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.289 5.410 3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.059 6.650 2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.977 7.742 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.608 7.228 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.818 8.360 1.408 1.00 0.00 H new ATOM 494 N ALA A 35 7.223 6.144 5.468 1.00 0.00 N ATOM 495 CA ALA A 35 6.292 6.227 6.572 1.00 0.00 C ATOM 496 C ALA A 35 5.700 4.845 6.845 1.00 0.00 C ATOM 497 O ALA A 35 4.601 4.733 7.388 1.00 0.00 O ATOM 498 CB ALA A 35 5.167 7.211 6.204 1.00 0.00 C ATOM 0 H ALA A 35 7.501 5.195 5.218 1.00 0.00 H new ATOM 0 HA ALA A 35 6.807 6.577 7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.460 7.280 7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.594 8.195 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.650 6.856 5.313 1.00 0.00 H new ATOM 504 N THR A 36 6.398 3.787 6.424 1.00 0.00 N ATOM 505 CA THR A 36 5.887 2.425 6.600 1.00 0.00 C ATOM 506 C THR A 36 5.197 2.271 7.947 1.00 0.00 C ATOM 507 O THR A 36 4.202 1.556 8.067 1.00 0.00 O ATOM 508 CB THR A 36 7.046 1.427 6.516 1.00 0.00 C ATOM 509 OG1 THR A 36 7.833 1.539 7.691 1.00 0.00 O ATOM 510 CG2 THR A 36 7.910 1.742 5.292 1.00 0.00 C ATOM 0 H THR A 36 7.307 3.845 5.965 1.00 0.00 H new ATOM 0 HA THR A 36 5.162 2.228 5.810 1.00 0.00 H new ATOM 0 HB THR A 36 6.654 0.414 6.426 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.577 0.903 7.648 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.734 1.030 5.235 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.303 1.668 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.309 2.753 5.379 1.00 0.00 H new ATOM 518 N ASP A 37 5.728 2.951 8.959 1.00 0.00 N ATOM 519 CA ASP A 37 5.152 2.895 10.298 1.00 0.00 C ATOM 520 C ASP A 37 4.207 4.070 10.529 1.00 0.00 C ATOM 521 O ASP A 37 3.354 4.029 11.414 1.00 0.00 O ATOM 522 CB ASP A 37 6.274 2.950 11.334 1.00 0.00 C ATOM 523 CG ASP A 37 7.268 1.826 11.081 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.825 0.704 10.893 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.457 2.101 11.076 1.00 0.00 O ATOM 0 H ASP A 37 6.553 3.545 8.878 1.00 0.00 H new ATOM 0 HA ASP A 37 4.591 1.965 10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.781 3.914 11.283 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.859 2.861 12.338 1.00 0.00 H new ATOM 530 N LEU A 38 4.381 5.129 9.737 1.00 0.00 N ATOM 531 CA LEU A 38 3.559 6.336 9.869 1.00 0.00 C ATOM 532 C LEU A 38 2.407 6.326 8.860 1.00 0.00 C ATOM 533 O LEU A 38 2.515 5.731 7.789 1.00 0.00 O ATOM 534 CB LEU A 38 4.438 7.589 9.632 1.00 0.00 C ATOM 535 CG LEU A 38 5.243 7.959 10.915 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.742 8.029 10.593 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.793 9.330 11.444 1.00 0.00 C ATOM 0 H LEU A 38 5.082 5.177 8.998 1.00 0.00 H new ATOM 0 HA LEU A 38 3.140 6.359 10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.126 7.404 8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.808 8.429 9.339 1.00 0.00 H new ATOM 0 HG LEU A 38 5.060 7.193 11.668 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.296 8.288 11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.081 7.061 10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.915 8.788 9.830 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.361 9.579 12.340 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.967 10.089 10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.731 9.296 11.686 1.00 0.00 H new ATOM 549 N PRO A 39 1.318 6.986 9.174 1.00 0.00 N ATOM 550 CA PRO A 39 0.139 7.061 8.264 1.00 0.00 C ATOM 551 C PRO A 39 0.453 7.835 6.984 1.00 0.00 C ATOM 552 O PRO A 39 1.536 8.401 6.838 1.00 0.00 O ATOM 553 CB PRO A 39 -0.933 7.774 9.104 1.00 0.00 C ATOM 554 CG PRO A 39 -0.167 8.551 10.123 1.00 0.00 C ATOM 555 CD PRO A 39 1.081 7.726 10.426 1.00 0.00 C ATOM 0 HA PRO A 39 -0.181 6.077 7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.547 8.430 8.487 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.606 7.058 9.576 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.099 9.537 9.743 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.761 8.706 11.024 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.929 8.361 10.683 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.921 7.051 11.267 1.00 0.00 H new ATOM 563 N LEU A 40 -0.516 7.858 6.078 1.00 0.00 N ATOM 564 CA LEU A 40 -0.366 8.567 4.817 1.00 0.00 C ATOM 565 C LEU A 40 -0.458 10.067 5.036 1.00 0.00 C ATOM 566 O LEU A 40 0.070 10.853 4.251 1.00 0.00 O ATOM 567 CB LEU A 40 -1.439 8.109 3.811 1.00 0.00 C ATOM 568 CG LEU A 40 -2.834 8.634 4.206 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.851 8.277 3.110 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.265 8.003 5.531 1.00 0.00 C ATOM 0 H LEU A 40 -1.416 7.392 6.195 1.00 0.00 H new ATOM 0 HA LEU A 40 0.617 8.335 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.182 8.466 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.457 7.020 3.765 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.791 9.717 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.836 8.649 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.546 8.734 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.893 7.194 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.251 8.376 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.304 6.919 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.547 8.264 6.309 1.00 0.00 H new ATOM 582 N THR A 41 -1.145 10.456 6.103 1.00 0.00 N ATOM 583 CA THR A 41 -1.324 11.866 6.409 1.00 0.00 C ATOM 584 C THR A 41 0.016 12.585 6.431 1.00 0.00 C ATOM 585 O THR A 41 0.092 13.768 6.109 1.00 0.00 O ATOM 586 CB THR A 41 -2.012 12.035 7.762 1.00 0.00 C ATOM 587 OG1 THR A 41 -1.310 11.286 8.743 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.457 11.542 7.671 1.00 0.00 C ATOM 0 H THR A 41 -1.584 9.818 6.766 1.00 0.00 H new ATOM 0 HA THR A 41 -1.949 12.302 5.630 1.00 0.00 H new ATOM 0 HB THR A 41 -2.012 13.089 8.041 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.748 11.394 9.613 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.945 11.664 8.638 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.992 12.121 6.919 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.465 10.489 7.391 1.00 0.00 H new ATOM 596 N SER A 42 1.068 11.884 6.833 1.00 0.00 N ATOM 597 CA SER A 42 2.389 12.484 6.902 1.00 0.00 C ATOM 598 C SER A 42 2.718 13.234 5.612 1.00 0.00 C ATOM 599 O SER A 42 3.391 14.267 5.639 1.00 0.00 O ATOM 600 CB SER A 42 3.428 11.383 7.130 1.00 0.00 C ATOM 601 OG SER A 42 4.723 11.899 6.862 1.00 0.00 O ATOM 0 H SER A 42 1.031 10.904 7.114 1.00 0.00 H new ATOM 0 HA SER A 42 2.406 13.196 7.727 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.373 11.022 8.157 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.221 10.532 6.481 1.00 0.00 H new ATOM 0 HG SER A 42 5.391 11.197 7.008 1.00 0.00 H new ATOM 607 N TYR A 43 2.248 12.709 4.487 1.00 0.00 N ATOM 608 CA TYR A 43 2.506 13.335 3.194 1.00 0.00 C ATOM 609 C TYR A 43 1.743 14.652 3.071 1.00 0.00 C ATOM 610 O TYR A 43 1.963 15.423 2.136 1.00 0.00 O ATOM 611 CB TYR A 43 2.089 12.379 2.069 1.00 0.00 C ATOM 612 CG TYR A 43 2.489 10.955 2.410 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.694 10.685 3.086 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.655 9.897 2.031 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.049 9.366 3.381 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.016 8.579 2.328 1.00 0.00 C ATOM 617 CZ TYR A 43 3.209 8.312 3.004 1.00 0.00 C ATOM 618 OH TYR A 43 3.559 7.008 3.296 1.00 0.00 O ATOM 0 H TYR A 43 1.689 11.857 4.442 1.00 0.00 H new ATOM 0 HA TYR A 43 3.572 13.548 3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.011 12.434 1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.559 12.681 1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.344 11.497 3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.732 10.099 1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.973 9.160 3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.370 7.765 2.034 1.00 0.00 H new ATOM 0 HH TYR A 43 2.962 6.656 3.989 1.00 0.00 H new ATOM 628 N GLY A 44 0.873 14.914 4.038 1.00 0.00 N ATOM 629 CA GLY A 44 0.107 16.156 4.050 1.00 0.00 C ATOM 630 C GLY A 44 -0.813 16.238 2.844 1.00 0.00 C ATOM 631 O GLY A 44 -1.173 17.329 2.401 1.00 0.00 O ATOM 0 H GLY A 44 0.680 14.288 4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.481 16.216 4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.787 17.007 4.052 1.00 0.00 H new ATOM 635 N LEU A 45 -1.179 15.084 2.307 1.00 0.00 N ATOM 636 CA LEU A 45 -2.046 15.034 1.141 1.00 0.00 C ATOM 637 C LEU A 45 -3.492 15.372 1.485 1.00 0.00 C ATOM 638 O LEU A 45 -4.015 14.933 2.504 1.00 0.00 O ATOM 639 CB LEU A 45 -1.972 13.632 0.515 1.00 0.00 C ATOM 640 CG LEU A 45 -2.787 12.603 1.331 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.676 11.222 0.682 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.243 12.512 2.760 1.00 0.00 C ATOM 0 H LEU A 45 -0.890 14.172 2.660 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.698 15.784 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.349 13.668 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.932 13.312 0.459 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.828 12.926 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.252 10.500 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.066 11.265 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.630 10.915 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.825 11.784 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.199 12.200 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.317 13.488 3.240 1.00 0.00 H new ATOM 654 N ASP A 46 -4.132 16.152 0.625 1.00 0.00 N ATOM 655 CA ASP A 46 -5.522 16.524 0.851 1.00 0.00 C ATOM 656 C ASP A 46 -6.418 15.292 0.736 1.00 0.00 C ATOM 657 O ASP A 46 -5.978 14.235 0.287 1.00 0.00 O ATOM 658 CB ASP A 46 -5.961 17.575 -0.169 1.00 0.00 C ATOM 659 CG ASP A 46 -5.290 18.909 0.138 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.771 19.050 1.234 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.307 19.772 -0.725 1.00 0.00 O ATOM 0 H ASP A 46 -3.718 16.535 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.612 16.942 1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.699 17.249 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.045 17.689 -0.143 1.00 0.00 H new ATOM 666 N SER A 47 -7.674 15.438 1.147 1.00 0.00 N ATOM 667 CA SER A 47 -8.632 14.334 1.088 1.00 0.00 C ATOM 668 C SER A 47 -8.892 13.915 -0.355 1.00 0.00 C ATOM 669 O SER A 47 -9.071 12.731 -0.647 1.00 0.00 O ATOM 670 CB SER A 47 -9.948 14.750 1.743 1.00 0.00 C ATOM 671 OG SER A 47 -10.852 13.652 1.715 1.00 0.00 O ATOM 0 H SER A 47 -8.053 16.307 1.524 1.00 0.00 H new ATOM 0 HA SER A 47 -8.207 13.486 1.626 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.772 15.066 2.771 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.376 15.603 1.216 1.00 0.00 H new ATOM 0 HG SER A 47 -11.698 13.914 2.136 1.00 0.00 H new ATOM 677 N VAL A 48 -8.910 14.894 -1.252 1.00 0.00 N ATOM 678 CA VAL A 48 -9.144 14.628 -2.666 1.00 0.00 C ATOM 679 C VAL A 48 -7.992 13.826 -3.262 1.00 0.00 C ATOM 680 O VAL A 48 -8.164 13.123 -4.258 1.00 0.00 O ATOM 681 CB VAL A 48 -9.298 15.945 -3.430 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.594 16.632 -3.006 1.00 0.00 C ATOM 683 CG2 VAL A 48 -8.112 16.860 -3.118 1.00 0.00 C ATOM 0 H VAL A 48 -8.766 15.878 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.061 14.046 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.327 15.741 -4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.703 17.570 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.440 15.982 -3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.565 16.835 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.223 17.798 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.081 17.064 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.186 16.371 -3.421 1.00 0.00 H new ATOM 693 N TYR A 49 -6.819 13.941 -2.650 1.00 0.00 N ATOM 694 CA TYR A 49 -5.646 13.226 -3.140 1.00 0.00 C ATOM 695 C TYR A 49 -5.863 11.714 -3.044 1.00 0.00 C ATOM 696 O TYR A 49 -5.641 10.984 -4.005 1.00 0.00 O ATOM 697 CB TYR A 49 -4.402 13.633 -2.317 1.00 0.00 C ATOM 698 CG TYR A 49 -3.184 13.727 -3.217 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.169 14.653 -4.265 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.076 12.895 -3.005 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.052 14.747 -5.103 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.958 12.990 -3.841 1.00 0.00 C ATOM 703 CZ TYR A 49 -0.946 13.917 -4.892 1.00 0.00 C ATOM 704 OH TYR A 49 0.150 14.007 -5.725 1.00 0.00 O ATOM 0 H TYR A 49 -6.655 14.515 -1.823 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.487 13.489 -4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.578 14.592 -1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.224 12.902 -1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.021 15.297 -4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.085 12.180 -2.196 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.044 15.461 -5.913 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.104 12.349 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 49 0.831 13.362 -5.440 1.00 0.00 H new ATOM 714 N ALA A 50 -6.290 11.258 -1.871 1.00 0.00 N ATOM 715 CA ALA A 50 -6.520 9.835 -1.652 1.00 0.00 C ATOM 716 C ALA A 50 -7.393 9.258 -2.755 1.00 0.00 C ATOM 717 O ALA A 50 -7.164 8.145 -3.216 1.00 0.00 O ATOM 718 CB ALA A 50 -7.200 9.614 -0.299 1.00 0.00 C ATOM 0 H ALA A 50 -6.483 11.849 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.555 9.328 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.367 8.548 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.562 9.999 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.156 10.137 -0.283 1.00 0.00 H new ATOM 724 N LEU A 51 -8.396 10.012 -3.170 1.00 0.00 N ATOM 725 CA LEU A 51 -9.293 9.542 -4.209 1.00 0.00 C ATOM 726 C LEU A 51 -8.520 9.170 -5.471 1.00 0.00 C ATOM 727 O LEU A 51 -8.587 8.029 -5.941 1.00 0.00 O ATOM 728 CB LEU A 51 -10.310 10.647 -4.538 1.00 0.00 C ATOM 729 CG LEU A 51 -11.274 10.185 -5.661 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.708 10.614 -5.320 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.876 10.828 -6.998 1.00 0.00 C ATOM 0 H LEU A 51 -8.608 10.942 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.809 8.653 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.880 10.902 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.786 11.550 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.216 9.100 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.383 10.288 -6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.009 10.160 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.751 11.699 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.560 10.496 -7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.926 11.913 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.859 10.531 -7.256 1.00 0.00 H new ATOM 743 N SER A 52 -7.778 10.129 -6.008 1.00 0.00 N ATOM 744 CA SER A 52 -6.999 9.886 -7.214 1.00 0.00 C ATOM 745 C SER A 52 -5.924 8.836 -6.978 1.00 0.00 C ATOM 746 O SER A 52 -5.740 7.920 -7.785 1.00 0.00 O ATOM 747 CB SER A 52 -6.334 11.183 -7.658 1.00 0.00 C ATOM 748 OG SER A 52 -5.637 10.962 -8.878 1.00 0.00 O ATOM 0 H SER A 52 -7.699 11.074 -5.632 1.00 0.00 H new ATOM 0 HA SER A 52 -7.677 9.521 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.084 11.962 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.644 11.532 -6.890 1.00 0.00 H new ATOM 0 HG SER A 52 -5.210 11.796 -9.166 1.00 0.00 H new ATOM 754 N ILE A 53 -5.208 8.981 -5.870 1.00 0.00 N ATOM 755 CA ILE A 53 -4.143 8.048 -5.537 1.00 0.00 C ATOM 756 C ILE A 53 -4.715 6.656 -5.301 1.00 0.00 C ATOM 757 O ILE A 53 -4.349 5.700 -5.975 1.00 0.00 O ATOM 758 CB ILE A 53 -3.431 8.533 -4.270 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.933 9.987 -4.459 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.261 7.604 -3.947 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.556 10.030 -5.136 1.00 0.00 C ATOM 0 H ILE A 53 -5.345 9.731 -5.192 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.436 7.999 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.134 8.516 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.652 10.543 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.878 10.482 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.758 7.953 -3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.633 6.592 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.556 7.604 -4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.240 11.067 -5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.831 9.496 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.618 9.558 -6.117 1.00 0.00 H new ATOM 773 N ALA A 54 -5.637 6.549 -4.350 1.00 0.00 N ATOM 774 CA ALA A 54 -6.244 5.260 -4.050 1.00 0.00 C ATOM 775 C ALA A 54 -6.667 4.573 -5.338 1.00 0.00 C ATOM 776 O ALA A 54 -6.517 3.360 -5.482 1.00 0.00 O ATOM 777 CB ALA A 54 -7.457 5.442 -3.137 1.00 0.00 C ATOM 0 H ALA A 54 -5.975 7.326 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.509 4.640 -3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.900 4.469 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.144 5.912 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.194 6.074 -3.632 1.00 0.00 H new ATOM 783 N ALA A 55 -7.170 5.359 -6.286 1.00 0.00 N ATOM 784 CA ALA A 55 -7.581 4.803 -7.568 1.00 0.00 C ATOM 785 C ALA A 55 -6.371 4.263 -8.336 1.00 0.00 C ATOM 786 O ALA A 55 -6.431 3.189 -8.923 1.00 0.00 O ATOM 787 CB ALA A 55 -8.283 5.874 -8.405 1.00 0.00 C ATOM 0 H ALA A 55 -7.301 6.366 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.272 3.982 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.586 5.448 -9.361 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.164 6.233 -7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.600 6.706 -8.579 1.00 0.00 H new ATOM 793 N GLU A 56 -5.280 5.017 -8.339 1.00 0.00 N ATOM 794 CA GLU A 56 -4.078 4.592 -9.057 1.00 0.00 C ATOM 795 C GLU A 56 -3.454 3.345 -8.411 1.00 0.00 C ATOM 796 O GLU A 56 -3.186 2.343 -9.090 1.00 0.00 O ATOM 797 CB GLU A 56 -3.062 5.736 -9.073 1.00 0.00 C ATOM 798 CG GLU A 56 -1.864 5.349 -9.940 1.00 0.00 C ATOM 799 CD GLU A 56 -0.875 6.507 -10.007 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.251 7.605 -9.633 1.00 0.00 O ATOM 801 OE2 GLU A 56 0.247 6.277 -10.429 1.00 0.00 O ATOM 0 H GLU A 56 -5.198 5.914 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.360 4.335 -10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.527 6.642 -9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.732 5.957 -8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.376 4.466 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.200 5.088 -10.944 1.00 0.00 H new ATOM 808 N LEU A 57 -3.256 3.403 -7.095 1.00 0.00 N ATOM 809 CA LEU A 57 -2.687 2.277 -6.355 1.00 0.00 C ATOM 810 C LEU A 57 -3.525 1.029 -6.582 1.00 0.00 C ATOM 811 O LEU A 57 -3.058 0.069 -7.164 1.00 0.00 O ATOM 812 CB LEU A 57 -2.680 2.639 -4.853 1.00 0.00 C ATOM 813 CG LEU A 57 -1.400 3.419 -4.510 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.345 4.703 -5.328 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.394 3.763 -3.019 1.00 0.00 C ATOM 0 H LEU A 57 -3.480 4.215 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.672 2.078 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.558 3.238 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.736 1.732 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.531 2.804 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.436 5.253 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.344 4.458 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.215 5.318 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.486 4.316 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.265 4.374 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.426 2.844 -2.433 1.00 0.00 H new ATOM 827 N GLU A 58 -4.760 1.055 -6.135 1.00 0.00 N ATOM 828 CA GLU A 58 -5.621 -0.104 -6.302 1.00 0.00 C ATOM 829 C GLU A 58 -5.706 -0.524 -7.765 1.00 0.00 C ATOM 830 O GLU A 58 -5.740 -1.714 -8.069 1.00 0.00 O ATOM 831 CB GLU A 58 -7.010 0.204 -5.767 1.00 0.00 C ATOM 832 CG GLU A 58 -7.714 1.243 -6.666 1.00 0.00 C ATOM 833 CD GLU A 58 -8.592 0.569 -7.722 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.274 -0.539 -8.123 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.566 1.184 -8.122 1.00 0.00 O ATOM 0 H GLU A 58 -5.190 1.849 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.190 -0.932 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.602 -0.710 -5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.938 0.584 -4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.325 1.903 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.967 1.866 -7.157 1.00 0.00 H new ATOM 842 N ASP A 59 -5.733 0.446 -8.671 1.00 0.00 N ATOM 843 CA ASP A 59 -5.812 0.136 -10.096 1.00 0.00 C ATOM 844 C ASP A 59 -4.634 -0.744 -10.511 1.00 0.00 C ATOM 845 O ASP A 59 -4.751 -1.570 -11.416 1.00 0.00 O ATOM 846 CB ASP A 59 -5.826 1.437 -10.912 1.00 0.00 C ATOM 847 CG ASP A 59 -5.595 1.156 -12.397 1.00 0.00 C ATOM 848 OD1 ASP A 59 -6.298 0.321 -12.940 1.00 0.00 O ATOM 849 OD2 ASP A 59 -4.720 1.789 -12.965 1.00 0.00 O ATOM 0 H ASP A 59 -5.702 1.441 -8.450 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.735 -0.411 -10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.782 1.944 -10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.054 2.111 -10.541 1.00 0.00 H new ATOM 854 N HIS A 60 -3.512 -0.572 -9.825 1.00 0.00 N ATOM 855 CA HIS A 60 -2.326 -1.375 -10.122 1.00 0.00 C ATOM 856 C HIS A 60 -2.477 -2.803 -9.608 1.00 0.00 C ATOM 857 O HIS A 60 -2.008 -3.749 -10.239 1.00 0.00 O ATOM 858 CB HIS A 60 -1.080 -0.750 -9.508 1.00 0.00 C ATOM 859 CG HIS A 60 -0.770 0.525 -10.234 1.00 0.00 C ATOM 860 ND1 HIS A 60 -0.636 0.567 -11.612 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.576 1.810 -9.798 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.375 1.839 -11.955 1.00 0.00 C ATOM 863 NE2 HIS A 60 -0.328 2.639 -10.886 1.00 0.00 N ATOM 0 H HIS A 60 -3.395 0.104 -9.070 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.220 -1.401 -11.207 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.241 -0.551 -8.448 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.238 -1.439 -9.579 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -0.720 -0.224 -12.250 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.611 2.130 -8.767 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.222 2.174 -12.970 1.00 0.00 H new ATOM 872 N LEU A 61 -3.117 -2.956 -8.449 1.00 0.00 N ATOM 873 CA LEU A 61 -3.306 -4.277 -7.852 1.00 0.00 C ATOM 874 C LEU A 61 -4.693 -4.825 -8.178 1.00 0.00 C ATOM 875 O LEU A 61 -5.111 -5.826 -7.604 1.00 0.00 O ATOM 876 CB LEU A 61 -3.130 -4.203 -6.327 1.00 0.00 C ATOM 877 CG LEU A 61 -1.691 -3.794 -5.955 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.675 -4.783 -6.522 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.378 -2.406 -6.503 1.00 0.00 C ATOM 0 H LEU A 61 -3.511 -2.186 -7.908 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.555 -4.947 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.835 -3.484 -5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.363 -5.171 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.621 -3.791 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.331 -4.470 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.870 -5.777 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.760 -4.809 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.359 -2.130 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.477 -2.413 -7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.074 -1.682 -6.080 1.00 0.00 H new ATOM 891 N ASP A 62 -5.395 -4.192 -9.117 1.00 0.00 N ATOM 892 CA ASP A 62 -6.721 -4.665 -9.512 1.00 0.00 C ATOM 893 C ASP A 62 -7.582 -5.007 -8.308 1.00 0.00 C ATOM 894 O ASP A 62 -7.980 -6.157 -8.131 1.00 0.00 O ATOM 895 CB ASP A 62 -6.561 -5.911 -10.360 1.00 0.00 C ATOM 896 CG ASP A 62 -5.980 -5.543 -11.719 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.934 -4.361 -12.020 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.579 -6.446 -12.433 1.00 0.00 O ATOM 0 H ASP A 62 -5.073 -3.361 -9.613 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.213 -3.866 -10.067 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.907 -6.623 -9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.526 -6.401 -10.488 1.00 0.00 H new ATOM 903 N VAL A 63 -7.863 -4.014 -7.486 1.00 0.00 N ATOM 904 CA VAL A 63 -8.671 -4.231 -6.296 1.00 0.00 C ATOM 905 C VAL A 63 -9.480 -2.989 -5.974 1.00 0.00 C ATOM 906 O VAL A 63 -9.153 -1.907 -6.424 1.00 0.00 O ATOM 907 CB VAL A 63 -7.742 -4.560 -5.112 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.323 -6.016 -5.181 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.468 -3.721 -5.194 1.00 0.00 C ATOM 0 H VAL A 63 -7.547 -3.053 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.357 -5.059 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.282 -4.350 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.666 -6.246 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.207 -6.652 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.794 -6.199 -6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.819 -3.962 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.948 -3.939 -6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.727 -2.663 -5.161 1.00 0.00 H new ATOM 919 N SER A 64 -10.561 -3.150 -5.224 1.00 0.00 N ATOM 920 CA SER A 64 -11.409 -2.016 -4.853 1.00 0.00 C ATOM 921 C SER A 64 -11.340 -1.820 -3.342 1.00 0.00 C ATOM 922 O SER A 64 -11.459 -2.777 -2.577 1.00 0.00 O ATOM 923 CB SER A 64 -12.851 -2.269 -5.285 1.00 0.00 C ATOM 924 OG SER A 64 -13.673 -1.212 -4.809 1.00 0.00 O ATOM 0 H SER A 64 -10.874 -4.050 -4.859 1.00 0.00 H new ATOM 0 HA SER A 64 -11.054 -1.116 -5.356 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.912 -2.332 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.200 -3.223 -4.890 1.00 0.00 H new ATOM 0 HG SER A 64 -14.600 -1.369 -5.085 1.00 0.00 H new ATOM 930 N LEU A 65 -11.128 -0.575 -2.915 1.00 0.00 N ATOM 931 CA LEU A 65 -11.027 -0.259 -1.486 1.00 0.00 C ATOM 932 C LEU A 65 -12.258 0.525 -1.046 1.00 0.00 C ATOM 933 O LEU A 65 -12.981 1.080 -1.875 1.00 0.00 O ATOM 934 CB LEU A 65 -9.751 0.572 -1.195 1.00 0.00 C ATOM 935 CG LEU A 65 -8.734 0.376 -2.328 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.173 1.187 -3.568 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.340 0.840 -1.862 1.00 0.00 C ATOM 0 H LEU A 65 -11.023 0.229 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.967 -1.194 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.007 1.628 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.314 0.265 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.687 -0.681 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.449 1.046 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.153 0.844 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.227 2.245 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.621 0.699 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.379 1.895 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.032 0.254 -0.996 1.00 0.00 H new ATOM 949 N ASP A 66 -12.490 0.567 0.259 1.00 0.00 N ATOM 950 CA ASP A 66 -13.636 1.289 0.807 1.00 0.00 C ATOM 951 C ASP A 66 -13.208 2.681 1.290 1.00 0.00 C ATOM 952 O ASP A 66 -12.035 2.922 1.547 1.00 0.00 O ATOM 953 CB ASP A 66 -14.235 0.467 1.969 1.00 0.00 C ATOM 954 CG ASP A 66 -15.562 -0.182 1.553 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.553 -0.952 0.605 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.563 0.105 2.187 1.00 0.00 O ATOM 0 H ASP A 66 -11.903 0.112 0.958 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.391 1.422 0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.529 -0.304 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.396 1.113 2.832 1.00 0.00 H new ATOM 961 N PRO A 67 -14.141 3.587 1.413 1.00 0.00 N ATOM 962 CA PRO A 67 -13.859 4.982 1.871 1.00 0.00 C ATOM 963 C PRO A 67 -13.338 5.025 3.310 1.00 0.00 C ATOM 964 O PRO A 67 -12.163 5.307 3.545 1.00 0.00 O ATOM 965 CB PRO A 67 -15.224 5.686 1.747 1.00 0.00 C ATOM 966 CG PRO A 67 -16.237 4.587 1.777 1.00 0.00 C ATOM 967 CD PRO A 67 -15.567 3.384 1.126 1.00 0.00 C ATOM 0 HA PRO A 67 -13.076 5.460 1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.381 6.388 2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.290 6.257 0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.538 4.361 2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.139 4.872 1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.931 2.446 1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.759 3.349 0.054 1.00 0.00 H new ATOM 975 N THR A 68 -14.223 4.760 4.264 1.00 0.00 N ATOM 976 CA THR A 68 -13.845 4.784 5.674 1.00 0.00 C ATOM 977 C THR A 68 -12.775 3.734 5.962 1.00 0.00 C ATOM 978 O THR A 68 -12.087 3.799 6.982 1.00 0.00 O ATOM 979 CB THR A 68 -15.076 4.511 6.546 1.00 0.00 C ATOM 980 OG1 THR A 68 -14.655 4.094 7.836 1.00 0.00 O ATOM 981 CG2 THR A 68 -15.931 3.413 5.910 1.00 0.00 C ATOM 0 H THR A 68 -15.201 4.527 4.090 1.00 0.00 H new ATOM 0 HA THR A 68 -13.442 5.770 5.907 1.00 0.00 H new ATOM 0 HB THR A 68 -15.668 5.423 6.629 1.00 0.00 H new ATOM 0 HG1 THR A 68 -15.440 3.920 8.396 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.804 3.224 6.535 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.256 3.732 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.343 2.499 5.822 1.00 0.00 H new ATOM 989 N LEU A 69 -12.632 2.780 5.050 1.00 0.00 N ATOM 990 CA LEU A 69 -11.631 1.728 5.209 1.00 0.00 C ATOM 991 C LEU A 69 -10.223 2.283 5.015 1.00 0.00 C ATOM 992 O LEU A 69 -9.311 1.961 5.769 1.00 0.00 O ATOM 993 CB LEU A 69 -11.902 0.597 4.216 1.00 0.00 C ATOM 994 CG LEU A 69 -10.881 -0.539 4.413 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.442 -1.814 3.778 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.513 -0.179 3.771 1.00 0.00 C ATOM 0 H LEU A 69 -13.190 2.711 4.199 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.700 1.334 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.913 0.215 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.842 0.977 3.196 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.715 -0.691 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.730 -2.629 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.385 -2.075 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.611 -1.647 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.812 -0.999 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.646 -0.011 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.121 0.726 4.234 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.049 3.127 4.006 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.739 3.711 3.737 1.00 0.00 C ATOM 1010 C ILE A 70 -8.208 4.402 4.987 1.00 0.00 C ATOM 1011 O ILE A 70 -7.022 4.312 5.303 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.838 4.705 2.568 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.079 3.934 1.259 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.536 5.504 2.456 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.688 4.867 0.205 1.00 0.00 C ATOM 0 H ILE A 70 -10.788 3.420 3.367 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.044 2.918 3.460 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.667 5.390 2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.139 3.522 0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.747 3.092 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.611 6.207 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.365 6.053 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.704 4.822 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.855 4.313 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.637 5.258 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.005 5.694 0.013 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.094 5.075 5.705 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.701 5.760 6.930 1.00 0.00 C ATOM 1029 C TRP A 71 -8.521 4.753 8.073 1.00 0.00 C ATOM 1030 O TRP A 71 -8.073 5.114 9.162 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.758 6.795 7.310 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.759 7.896 6.297 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.751 8.135 5.408 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.735 8.904 6.048 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.404 9.227 4.633 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.169 9.736 4.988 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.487 9.174 6.634 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.389 10.797 4.527 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.699 10.240 6.172 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.150 11.050 5.122 1.00 0.00 C ATOM 0 H TRP A 71 -10.082 5.162 5.465 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.751 6.265 6.757 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.741 6.327 7.356 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.549 7.198 8.301 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.665 7.566 5.318 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.988 9.610 3.890 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.131 8.557 7.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.740 11.418 3.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.740 10.437 6.628 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.540 11.870 4.772 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.867 3.489 7.814 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.732 2.436 8.831 1.00 0.00 C ATOM 1053 C ASP A 72 -7.344 1.803 8.763 1.00 0.00 C ATOM 1054 O ASP A 72 -6.755 1.451 9.786 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.793 1.353 8.623 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.803 0.421 9.828 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.929 0.562 10.667 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.687 -0.418 9.898 1.00 0.00 O ATOM 0 H ASP A 72 -9.239 3.170 6.920 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.871 2.892 9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.774 1.809 8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.581 0.789 7.714 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.826 1.670 7.540 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.500 1.083 7.312 1.00 0.00 C ATOM 1065 C HIS A 73 -4.558 2.088 6.633 1.00 0.00 C ATOM 1066 O HIS A 73 -4.009 1.808 5.570 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.648 -0.153 6.422 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.772 -1.010 6.933 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.117 -1.065 8.273 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.654 -1.837 6.284 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.171 -1.895 8.388 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.536 -2.394 7.204 1.00 0.00 N ATOM 0 H HIS A 73 -7.305 1.962 6.688 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.071 0.809 8.276 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.846 0.149 5.393 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.718 -0.722 6.414 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.656 -0.567 9.035 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.662 -2.027 5.221 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.661 -2.128 9.322 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.364 3.241 7.230 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.465 4.312 6.685 1.00 0.00 C ATOM 1083 C PRO A 74 -1.987 3.952 6.826 1.00 0.00 C ATOM 1084 O PRO A 74 -1.114 4.695 6.382 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.808 5.533 7.555 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.263 4.955 8.852 1.00 0.00 C ATOM 1087 CD PRO A 74 -4.991 3.659 8.493 1.00 0.00 C ATOM 0 HA PRO A 74 -3.617 4.474 5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.941 6.179 7.691 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.588 6.140 7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.418 4.760 9.512 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.925 5.644 9.377 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.869 2.904 9.269 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.062 3.822 8.373 1.00 0.00 H new ATOM 1095 N THR A 75 -1.721 2.807 7.442 1.00 0.00 N ATOM 1096 CA THR A 75 -0.343 2.342 7.642 1.00 0.00 C ATOM 1097 C THR A 75 -0.071 1.076 6.840 1.00 0.00 C ATOM 1098 O THR A 75 -0.913 0.179 6.770 1.00 0.00 O ATOM 1099 CB THR A 75 -0.100 2.062 9.126 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.126 1.210 9.622 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.100 3.379 9.904 1.00 0.00 C ATOM 0 H THR A 75 -2.435 2.180 7.813 1.00 0.00 H new ATOM 0 HA THR A 75 0.332 3.125 7.297 1.00 0.00 H new ATOM 0 HB THR A 75 0.866 1.573 9.250 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.970 1.029 10.572 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.073 3.177 10.961 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.690 4.026 9.524 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.064 3.873 9.782 1.00 0.00 H new ATOM 1109 N ILE A 76 1.113 1.017 6.236 1.00 0.00 N ATOM 1110 CA ILE A 76 1.499 -0.138 5.433 1.00 0.00 C ATOM 1111 C ILE A 76 1.306 -1.414 6.236 1.00 0.00 C ATOM 1112 O ILE A 76 0.931 -2.444 5.689 1.00 0.00 O ATOM 1113 CB ILE A 76 2.972 -0.019 4.992 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.111 1.183 4.042 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.430 -1.299 4.270 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.537 1.271 3.472 1.00 0.00 C ATOM 0 H ILE A 76 1.818 1.752 6.287 1.00 0.00 H new ATOM 0 HA ILE A 76 0.868 -0.171 4.545 1.00 0.00 H new ATOM 0 HB ILE A 76 3.597 0.121 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.394 1.091 3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.871 2.103 4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.472 -1.193 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.332 -2.151 4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.811 -1.460 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.609 2.129 2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.249 1.387 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.765 0.360 2.919 1.00 0.00 H new ATOM 1128 N ASP A 77 1.582 -1.350 7.528 1.00 0.00 N ATOM 1129 CA ASP A 77 1.447 -2.529 8.370 1.00 0.00 C ATOM 1130 C ASP A 77 0.057 -3.135 8.215 1.00 0.00 C ATOM 1131 O ASP A 77 -0.085 -4.326 7.919 1.00 0.00 O ATOM 1132 CB ASP A 77 1.675 -2.142 9.831 1.00 0.00 C ATOM 1133 CG ASP A 77 1.699 -3.387 10.708 1.00 0.00 C ATOM 1134 OD1 ASP A 77 2.569 -4.217 10.503 1.00 0.00 O ATOM 1135 OD2 ASP A 77 0.848 -3.490 11.577 1.00 0.00 O ATOM 0 H ASP A 77 1.896 -0.509 8.012 1.00 0.00 H new ATOM 0 HA ASP A 77 2.189 -3.267 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.616 -1.601 9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.885 -1.469 10.164 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.965 -2.310 8.402 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.338 -2.779 8.272 1.00 0.00 C ATOM 1142 C ALA A 78 -2.619 -3.201 6.831 1.00 0.00 C ATOM 1143 O ALA A 78 -3.208 -4.255 6.585 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.313 -1.675 8.681 1.00 0.00 C ATOM 0 H ALA A 78 -0.871 -1.323 8.642 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.473 -3.639 8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.336 -2.037 8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.129 -1.393 9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.170 -0.807 8.038 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.209 -2.363 5.885 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.436 -2.648 4.474 1.00 0.00 C ATOM 1152 C LEU A 79 -1.746 -3.953 4.075 1.00 0.00 C ATOM 1153 O LEU A 79 -2.318 -4.771 3.359 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.888 -1.479 3.626 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.878 -1.091 2.506 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.244 -2.323 1.647 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.155 -0.469 3.119 1.00 0.00 C ATOM 0 H LEU A 79 -1.721 -1.486 6.068 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.506 -2.758 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.703 -0.617 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.931 -1.761 3.188 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.398 -0.355 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.942 -2.026 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.341 -2.731 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.707 -3.082 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.847 -0.199 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.630 -1.192 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.889 0.423 3.686 1.00 0.00 H new ATOM 1169 N SER A 80 -0.514 -4.135 4.537 1.00 0.00 N ATOM 1170 CA SER A 80 0.235 -5.342 4.213 1.00 0.00 C ATOM 1171 C SER A 80 -0.518 -6.566 4.709 1.00 0.00 C ATOM 1172 O SER A 80 -0.684 -7.539 3.976 1.00 0.00 O ATOM 1173 CB SER A 80 1.613 -5.283 4.865 1.00 0.00 C ATOM 1174 OG SER A 80 2.359 -4.225 4.276 1.00 0.00 O ATOM 0 H SER A 80 -0.018 -3.470 5.130 1.00 0.00 H new ATOM 0 HA SER A 80 0.353 -5.411 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.515 -5.122 5.939 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.134 -6.231 4.731 1.00 0.00 H new ATOM 0 HG SER A 80 1.881 -3.379 4.402 1.00 0.00 H new ATOM 1180 N THR A 81 -0.970 -6.507 5.957 1.00 0.00 N ATOM 1181 CA THR A 81 -1.702 -7.625 6.539 1.00 0.00 C ATOM 1182 C THR A 81 -2.913 -7.951 5.676 1.00 0.00 C ATOM 1183 O THR A 81 -3.198 -9.115 5.382 1.00 0.00 O ATOM 1184 CB THR A 81 -2.161 -7.274 7.954 1.00 0.00 C ATOM 1185 OG1 THR A 81 -1.024 -7.064 8.780 1.00 0.00 O ATOM 1186 CG2 THR A 81 -3.006 -8.417 8.518 1.00 0.00 C ATOM 0 H THR A 81 -0.845 -5.708 6.578 1.00 0.00 H new ATOM 0 HA THR A 81 -1.044 -8.493 6.584 1.00 0.00 H new ATOM 0 HB THR A 81 -2.762 -6.365 7.927 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.631 -6.189 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.332 -8.165 9.527 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.878 -8.572 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.411 -9.330 8.547 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.617 -6.916 5.257 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.781 -7.112 4.412 1.00 0.00 C ATOM 1196 C ALA A 82 -4.365 -7.643 3.043 1.00 0.00 C ATOM 1197 O ALA A 82 -5.057 -8.482 2.449 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.528 -5.794 4.234 1.00 0.00 C ATOM 0 H ALA A 82 -3.408 -5.944 5.484 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.434 -7.839 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.399 -5.953 3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.851 -5.425 5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.868 -5.062 3.769 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.242 -7.148 2.518 1.00 0.00 N ATOM 1205 CA LEU A 83 -2.792 -7.581 1.211 1.00 0.00 C ATOM 1206 C LEU A 83 -2.479 -9.072 1.206 1.00 0.00 C ATOM 1207 O LEU A 83 -2.968 -9.809 0.367 1.00 0.00 O ATOM 1208 CB LEU A 83 -1.539 -6.790 0.817 1.00 0.00 C ATOM 1209 CG LEU A 83 -1.499 -6.574 -0.699 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.710 -7.897 -1.441 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.552 -5.551 -1.128 1.00 0.00 C ATOM 0 H LEU A 83 -2.643 -6.460 2.974 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.590 -7.397 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.533 -5.827 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.646 -7.327 1.138 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.514 -6.186 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.678 -7.720 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.923 -8.599 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.680 -8.315 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.506 -5.413 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.543 -5.910 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.359 -4.600 -0.632 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.651 -9.505 2.148 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.283 -10.912 2.221 1.00 0.00 C ATOM 1225 C VAL A 84 -2.524 -11.751 2.485 1.00 0.00 C ATOM 1226 O VAL A 84 -2.614 -12.895 2.043 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.236 -11.131 3.319 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.822 -10.736 4.672 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.198 -12.605 3.358 1.00 0.00 C ATOM 0 H VAL A 84 -1.227 -8.912 2.862 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.847 -11.220 1.271 1.00 0.00 H new ATOM 0 HB VAL A 84 0.635 -10.512 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.076 -10.892 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.110 -9.685 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.699 -11.348 4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.942 -12.745 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.668 -13.234 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.629 -12.883 2.396 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.485 -11.172 3.196 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.716 -11.883 3.494 1.00 0.00 C ATOM 1241 C ALA A 85 -5.433 -12.264 2.203 1.00 0.00 C ATOM 1242 O ALA A 85 -5.957 -13.371 2.079 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.626 -10.993 4.326 1.00 0.00 C ATOM 0 H ALA A 85 -3.435 -10.225 3.571 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.473 -12.789 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.550 -11.526 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.124 -10.729 5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.857 -10.085 3.768 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.455 -11.336 1.247 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.117 -11.592 -0.032 1.00 0.00 C ATOM 1251 C GLU A 86 -5.571 -12.869 -0.679 1.00 0.00 C ATOM 1252 O GLU A 86 -6.235 -13.483 -1.514 1.00 0.00 O ATOM 1253 CB GLU A 86 -5.920 -10.382 -0.979 1.00 0.00 C ATOM 1254 CG GLU A 86 -4.681 -10.567 -1.868 1.00 0.00 C ATOM 1255 CD GLU A 86 -4.989 -11.450 -3.077 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -6.129 -11.858 -3.222 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -4.071 -11.701 -3.841 1.00 0.00 O ATOM 0 H GLU A 86 -5.029 -10.413 1.331 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.183 -11.732 0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.804 -10.259 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.816 -9.470 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.326 -9.594 -2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.876 -11.014 -1.285 1.00 0.00 H new ATOM 1264 N LEU A 87 -4.356 -13.249 -0.285 1.00 0.00 N ATOM 1265 CA LEU A 87 -3.714 -14.446 -0.833 1.00 0.00 C ATOM 1266 C LEU A 87 -4.170 -15.695 -0.093 1.00 0.00 C ATOM 1267 O LEU A 87 -4.060 -16.808 -0.605 1.00 0.00 O ATOM 1268 CB LEU A 87 -2.187 -14.313 -0.738 1.00 0.00 C ATOM 1269 CG LEU A 87 -1.489 -15.485 -1.445 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -1.828 -15.484 -2.947 1.00 0.00 C ATOM 1271 CD2 LEU A 87 0.025 -15.331 -1.256 1.00 0.00 C ATOM 0 H LEU A 87 -3.798 -12.749 0.408 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.005 -14.540 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.871 -13.372 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.885 -14.283 0.309 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.830 -16.428 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.326 -16.320 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.906 -15.582 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.492 -14.549 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.539 -16.155 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.352 -14.386 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.262 -15.343 -0.192 1.00 0.00 H new ATOM 1283 N ARG A 88 -4.702 -15.513 1.108 1.00 0.00 N ATOM 1284 CA ARG A 88 -5.180 -16.643 1.889 1.00 0.00 C ATOM 1285 C ARG A 88 -6.571 -17.068 1.420 1.00 0.00 C ATOM 1286 O ARG A 88 -6.767 -17.393 0.249 1.00 0.00 O ATOM 1287 CB ARG A 88 -5.213 -16.267 3.371 1.00 0.00 C ATOM 1288 CG ARG A 88 -3.783 -16.053 3.874 1.00 0.00 C ATOM 1289 CD ARG A 88 -3.825 -15.655 5.347 1.00 0.00 C ATOM 1290 NE ARG A 88 -4.338 -16.764 6.142 1.00 0.00 N ATOM 1291 CZ ARG A 88 -4.812 -16.571 7.368 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -4.837 -15.371 7.878 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -5.256 -17.583 8.063 1.00 0.00 N ATOM 0 H ARG A 88 -4.812 -14.604 1.558 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.500 -17.483 1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.800 -15.360 3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.698 -17.055 3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.200 -16.965 3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.291 -15.276 3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.827 -15.382 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.458 -14.777 5.478 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.333 -17.706 5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.492 -14.579 7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.201 -15.224 8.819 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.239 -18.522 7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.620 -17.435 9.004 1.00 0.00 H new ATOM 1307 N SER A 89 -7.533 -17.071 2.340 1.00 0.00 N ATOM 1308 CA SER A 89 -8.907 -17.465 2.022 1.00 0.00 C ATOM 1309 C SER A 89 -9.892 -16.421 2.540 1.00 0.00 C ATOM 1310 O SER A 89 -10.909 -16.759 3.145 1.00 0.00 O ATOM 1311 CB SER A 89 -9.211 -18.821 2.660 1.00 0.00 C ATOM 1312 OG SER A 89 -8.992 -18.734 4.062 1.00 0.00 O ATOM 0 H SER A 89 -7.388 -16.805 3.314 1.00 0.00 H new ATOM 0 HA SER A 89 -9.011 -17.539 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.243 -19.109 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.574 -19.592 2.227 1.00 0.00 H new ATOM 0 HG SER A 89 -9.187 -19.600 4.478 1.00 0.00 H new ATOM 1318 N ALA A 90 -9.578 -15.151 2.301 1.00 0.00 N ATOM 1319 CA ALA A 90 -10.440 -14.065 2.750 1.00 0.00 C ATOM 1320 C ALA A 90 -11.826 -14.196 2.127 1.00 0.00 C ATOM 1321 O ALA A 90 -11.951 -14.928 1.159 1.00 0.00 O ATOM 1322 CB ALA A 90 -9.828 -12.717 2.362 1.00 0.00 C ATOM 1323 OXT ALA A 90 -12.741 -13.562 2.627 1.00 0.00 O ATOM 0 H ALA A 90 -8.740 -14.851 1.803 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.532 -14.121 3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.479 -11.911 2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.849 -12.614 2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.720 -12.665 1.279 1.00 0.00 H new TER 1329 ALA A 90