USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 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 48 THR OG1 : rot -157:sc= 0.212 USER MOD Set 1.2: A 59 HIS : no HD1:sc= -5.32! C(o=-5.1!,f=-4.3!) USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 THR OG1 : rot -170:sc= 0.0783 USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0 (180deg=-0.00325) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -140:sc= -0.994 (180deg=-4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.09! C(o=-2.1!,f=-1.9!) USER MOD Single : A 22 CYS SG : rot 180:sc= -0.885 USER MOD Single : A 29 THR OG1 : rot -101:sc= 0.827 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.435 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 39 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.32) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= -0.0483 (180deg=-0.304) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.8) USER MOD Single : A 65 ASN : amide:sc= -1.68 K(o=-1.7,f=-6.7!) USER MOD Single : A 69 SER OG : rot -140:sc= -0.0519 USER MOD Single : A 71 ASN : amide:sc= -3.02 K(o=-3,f=-10!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00201 K(o=-0.002,f=-1.3) USER MOD Single : A 87 THR OG1 : rot 32:sc= 0.552 USER MOD Single : A 90 SER OG : rot 62:sc= 0.613 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.969 5.481 -6.100 1.00 0.00 N ATOM 2 CA GLY A 1 11.007 6.010 -7.048 1.00 0.00 C ATOM 3 C GLY A 1 11.436 7.344 -7.626 1.00 0.00 C ATOM 4 O GLY A 1 11.357 7.558 -8.836 1.00 0.00 O ATOM 0 H1 GLY A 1 11.646 4.553 -5.759 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.893 5.377 -6.565 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.058 6.133 -5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.869 5.294 -7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.041 6.125 -6.555 1.00 0.00 H new ATOM 8 N SER A 2 11.890 8.244 -6.760 1.00 0.00 N ATOM 9 CA SER A 2 12.328 9.567 -7.191 1.00 0.00 C ATOM 10 C SER A 2 12.992 10.320 -6.042 1.00 0.00 C ATOM 11 O SER A 2 12.774 10.007 -4.872 1.00 0.00 O ATOM 12 CB SER A 2 11.142 10.371 -7.725 1.00 0.00 C ATOM 13 OG SER A 2 11.576 11.569 -8.346 1.00 0.00 O ATOM 0 H SER A 2 11.964 8.082 -5.756 1.00 0.00 H new ATOM 0 HA SER A 2 13.059 9.439 -7.989 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.583 9.768 -8.441 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.461 10.608 -6.907 1.00 0.00 H new ATOM 0 HG SER A 2 10.799 12.064 -8.681 1.00 0.00 H new ATOM 19 N SER A 3 13.804 11.315 -6.386 1.00 0.00 N ATOM 20 CA SER A 3 14.503 12.111 -5.385 1.00 0.00 C ATOM 21 C SER A 3 13.607 12.377 -4.179 1.00 0.00 C ATOM 22 O SER A 3 12.506 12.908 -4.315 1.00 0.00 O ATOM 23 CB SER A 3 14.968 13.437 -5.991 1.00 0.00 C ATOM 24 OG SER A 3 15.922 13.221 -7.017 1.00 0.00 O ATOM 0 H SER A 3 13.994 11.589 -7.350 1.00 0.00 H new ATOM 0 HA SER A 3 15.374 11.546 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.111 13.977 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.402 14.064 -5.212 1.00 0.00 H new ATOM 0 HG SER A 3 16.202 14.083 -7.390 1.00 0.00 H new ATOM 30 N GLY A 4 14.089 12.004 -2.997 1.00 0.00 N ATOM 31 CA GLY A 4 13.320 12.209 -1.784 1.00 0.00 C ATOM 32 C GLY A 4 11.870 11.796 -1.940 1.00 0.00 C ATOM 33 O GLY A 4 11.552 10.906 -2.728 1.00 0.00 O ATOM 0 H GLY A 4 14.998 11.564 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.771 11.640 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.367 13.261 -1.501 1.00 0.00 H new ATOM 37 N SER A 5 10.988 12.443 -1.185 1.00 0.00 N ATOM 38 CA SER A 5 9.564 12.134 -1.239 1.00 0.00 C ATOM 39 C SER A 5 8.870 12.957 -2.320 1.00 0.00 C ATOM 40 O SER A 5 9.136 14.149 -2.475 1.00 0.00 O ATOM 41 CB SER A 5 8.911 12.401 0.119 1.00 0.00 C ATOM 42 OG SER A 5 9.026 13.767 0.481 1.00 0.00 O ATOM 0 H SER A 5 11.234 13.184 -0.529 1.00 0.00 H new ATOM 0 HA SER A 5 9.456 11.078 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.859 12.119 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.381 11.779 0.881 1.00 0.00 H new ATOM 0 HG SER A 5 8.600 13.912 1.351 1.00 0.00 H new ATOM 48 N SER A 6 7.978 12.311 -3.065 1.00 0.00 N ATOM 49 CA SER A 6 7.248 12.981 -4.135 1.00 0.00 C ATOM 50 C SER A 6 5.744 12.914 -3.890 1.00 0.00 C ATOM 51 O SER A 6 5.024 13.888 -4.108 1.00 0.00 O ATOM 52 CB SER A 6 7.585 12.346 -5.486 1.00 0.00 C ATOM 53 OG SER A 6 8.849 12.783 -5.954 1.00 0.00 O ATOM 0 H SER A 6 7.744 11.325 -2.947 1.00 0.00 H new ATOM 0 HA SER A 6 7.550 14.028 -4.148 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.584 11.260 -5.391 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.816 12.603 -6.214 1.00 0.00 H new ATOM 0 HG SER A 6 9.042 12.362 -6.818 1.00 0.00 H new ATOM 59 N GLY A 7 5.275 11.757 -3.435 1.00 0.00 N ATOM 60 CA GLY A 7 3.859 11.583 -3.167 1.00 0.00 C ATOM 61 C GLY A 7 3.525 11.731 -1.696 1.00 0.00 C ATOM 62 O GLY A 7 4.321 12.261 -0.922 1.00 0.00 O ATOM 0 H GLY A 7 5.850 10.936 -3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.291 12.315 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.546 10.597 -3.510 1.00 0.00 H new ATOM 66 N MET A 8 2.342 11.263 -1.310 1.00 0.00 N ATOM 67 CA MET A 8 1.904 11.346 0.079 1.00 0.00 C ATOM 68 C MET A 8 2.537 10.239 0.916 1.00 0.00 C ATOM 69 O MET A 8 3.298 9.419 0.403 1.00 0.00 O ATOM 70 CB MET A 8 0.379 11.256 0.161 1.00 0.00 C ATOM 71 CG MET A 8 -0.337 12.319 -0.656 1.00 0.00 C ATOM 72 SD MET A 8 -0.486 11.873 -2.397 1.00 0.00 S ATOM 73 CE MET A 8 -2.207 12.262 -2.701 1.00 0.00 C ATOM 0 H MET A 8 1.670 10.823 -1.939 1.00 0.00 H new ATOM 0 HA MET A 8 2.226 12.308 0.479 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.062 10.271 -0.182 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.074 11.344 1.204 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.331 12.483 -0.240 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.203 13.262 -0.571 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.646 11.495 -3.339 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.745 12.298 -1.754 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.279 13.230 -3.196 1.00 0.00 H new ATOM 83 N GLU A 9 2.217 10.222 2.206 1.00 0.00 N ATOM 84 CA GLU A 9 2.756 9.216 3.113 1.00 0.00 C ATOM 85 C GLU A 9 1.635 8.390 3.737 1.00 0.00 C ATOM 86 O GLU A 9 0.972 8.831 4.677 1.00 0.00 O ATOM 87 CB GLU A 9 3.587 9.881 4.213 1.00 0.00 C ATOM 88 CG GLU A 9 4.986 10.271 3.766 1.00 0.00 C ATOM 89 CD GLU A 9 5.914 10.549 4.933 1.00 0.00 C ATOM 90 OE1 GLU A 9 5.787 11.629 5.547 1.00 0.00 O ATOM 91 OE2 GLU A 9 6.767 9.687 5.232 1.00 0.00 O ATOM 0 H GLU A 9 1.588 10.893 2.646 1.00 0.00 H new ATOM 0 HA GLU A 9 3.397 8.550 2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.065 10.771 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.662 9.201 5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.405 9.471 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.928 11.157 3.134 1.00 0.00 H new ATOM 98 N LEU A 10 1.428 7.189 3.208 1.00 0.00 N ATOM 99 CA LEU A 10 0.387 6.300 3.711 1.00 0.00 C ATOM 100 C LEU A 10 0.935 5.380 4.798 1.00 0.00 C ATOM 101 O LEU A 10 2.061 4.892 4.704 1.00 0.00 O ATOM 102 CB LEU A 10 -0.196 5.466 2.568 1.00 0.00 C ATOM 103 CG LEU A 10 -1.617 4.941 2.778 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.634 6.051 2.565 1.00 0.00 C ATOM 105 CD2 LEU A 10 -1.897 3.773 1.844 1.00 0.00 C ATOM 0 H LEU A 10 1.968 6.808 2.431 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.403 6.914 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.184 6.070 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.462 4.615 2.393 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.705 4.589 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.639 5.658 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.447 6.857 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.546 6.435 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.912 3.412 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.790 4.100 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.189 2.969 2.045 1.00 0.00 H new ATOM 117 N LYS A 11 0.130 5.147 5.829 1.00 0.00 N ATOM 118 CA LYS A 11 0.531 4.283 6.933 1.00 0.00 C ATOM 119 C LYS A 11 -0.359 3.047 7.009 1.00 0.00 C ATOM 120 O LYS A 11 -1.581 3.156 7.117 1.00 0.00 O ATOM 121 CB LYS A 11 0.471 5.050 8.256 1.00 0.00 C ATOM 122 CG LYS A 11 1.712 5.879 8.536 1.00 0.00 C ATOM 123 CD LYS A 11 1.666 6.503 9.921 1.00 0.00 C ATOM 124 CE LYS A 11 3.027 7.038 10.337 1.00 0.00 C ATOM 125 NZ LYS A 11 2.995 7.636 11.701 1.00 0.00 N ATOM 0 H LYS A 11 -0.805 5.545 5.923 1.00 0.00 H new ATOM 0 HA LYS A 11 1.556 3.960 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.399 5.706 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.327 4.341 9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.598 5.250 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.803 6.664 7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.937 7.313 9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.329 5.761 10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.758 6.230 10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.357 7.789 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.942 7.989 11.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.316 8.424 11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.705 6.913 12.390 1.00 0.00 H new ATOM 139 N VAL A 12 0.260 1.873 6.953 1.00 0.00 N ATOM 140 CA VAL A 12 -0.476 0.616 7.018 1.00 0.00 C ATOM 141 C VAL A 12 0.210 -0.376 7.949 1.00 0.00 C ATOM 142 O VAL A 12 1.400 -0.657 7.805 1.00 0.00 O ATOM 143 CB VAL A 12 -0.622 -0.022 5.623 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.571 -1.210 5.676 1.00 0.00 C ATOM 145 CG2 VAL A 12 -1.101 1.010 4.613 1.00 0.00 C ATOM 0 H VAL A 12 1.270 1.766 6.863 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.467 0.850 7.408 1.00 0.00 H new ATOM 0 HB VAL A 12 0.355 -0.383 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.662 -1.648 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.181 -1.957 6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.551 -0.878 6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.199 0.542 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.068 1.403 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.380 1.825 4.556 1.00 0.00 H new ATOM 155 N TRP A 13 -0.547 -0.904 8.904 1.00 0.00 N ATOM 156 CA TRP A 13 -0.011 -1.866 9.860 1.00 0.00 C ATOM 157 C TRP A 13 0.224 -3.219 9.198 1.00 0.00 C ATOM 158 O TRP A 13 -0.723 -3.946 8.897 1.00 0.00 O ATOM 159 CB TRP A 13 -0.964 -2.024 11.046 1.00 0.00 C ATOM 160 CG TRP A 13 -0.968 -0.841 11.966 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.779 0.255 11.889 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.119 -0.635 13.101 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.485 1.130 12.907 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.472 0.606 13.665 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.902 -1.380 13.697 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.163 1.118 14.794 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.531 -0.871 14.817 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.160 0.367 15.357 1.00 0.00 C ATOM 0 H TRP A 13 -1.534 -0.682 9.037 1.00 0.00 H new ATOM 0 HA TRP A 13 0.946 -1.487 10.220 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.975 -2.188 10.672 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.685 -2.914 11.611 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.540 0.411 11.138 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.946 2.025 13.071 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.194 -2.337 13.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.121 2.073 15.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.323 -1.438 15.284 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.670 0.736 16.234 1.00 0.00 H new ATOM 179 N VAL A 14 1.491 -3.552 8.972 1.00 0.00 N ATOM 180 CA VAL A 14 1.849 -4.818 8.346 1.00 0.00 C ATOM 181 C VAL A 14 2.569 -5.734 9.330 1.00 0.00 C ATOM 182 O VAL A 14 3.769 -5.591 9.564 1.00 0.00 O ATOM 183 CB VAL A 14 2.747 -4.601 7.114 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.944 -5.907 6.359 1.00 0.00 C ATOM 185 CG2 VAL A 14 2.155 -3.535 6.205 1.00 0.00 C ATOM 0 H VAL A 14 2.287 -2.961 9.214 1.00 0.00 H new ATOM 0 HA VAL A 14 0.918 -5.289 8.030 1.00 0.00 H new ATOM 0 HB VAL A 14 3.723 -4.255 7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.581 -5.733 5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.415 -6.639 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.977 -6.286 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.802 -3.394 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.166 -3.850 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.072 -2.596 6.752 1.00 0.00 H new ATOM 195 N ASP A 15 1.827 -6.675 9.904 1.00 0.00 N ATOM 196 CA ASP A 15 2.394 -7.617 10.863 1.00 0.00 C ATOM 197 C ASP A 15 2.844 -6.897 12.130 1.00 0.00 C ATOM 198 O ASP A 15 3.850 -7.259 12.738 1.00 0.00 O ATOM 199 CB ASP A 15 3.575 -8.363 10.240 1.00 0.00 C ATOM 200 CG ASP A 15 4.005 -9.559 11.066 1.00 0.00 C ATOM 201 OD1 ASP A 15 3.120 -10.309 11.529 1.00 0.00 O ATOM 202 OD2 ASP A 15 5.226 -9.746 11.250 1.00 0.00 O ATOM 0 H ASP A 15 0.832 -6.806 9.722 1.00 0.00 H new ATOM 0 HA ASP A 15 1.620 -8.336 11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.303 -8.696 9.238 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.417 -7.679 10.131 1.00 0.00 H new ATOM 207 N GLY A 16 2.090 -5.874 12.523 1.00 0.00 N ATOM 208 CA GLY A 16 2.428 -5.118 13.715 1.00 0.00 C ATOM 209 C GLY A 16 3.516 -4.093 13.463 1.00 0.00 C ATOM 210 O GLY A 16 4.210 -3.673 14.389 1.00 0.00 O ATOM 0 H GLY A 16 1.252 -5.556 12.037 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.536 -4.613 14.086 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.754 -5.804 14.496 1.00 0.00 H new ATOM 214 N VAL A 17 3.668 -3.690 12.205 1.00 0.00 N ATOM 215 CA VAL A 17 4.680 -2.709 11.834 1.00 0.00 C ATOM 216 C VAL A 17 4.120 -1.688 10.850 1.00 0.00 C ATOM 217 O VAL A 17 3.678 -2.043 9.757 1.00 0.00 O ATOM 218 CB VAL A 17 5.914 -3.384 11.209 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.985 -2.352 10.890 1.00 0.00 C ATOM 220 CG2 VAL A 17 6.459 -4.460 12.136 1.00 0.00 C ATOM 0 H VAL A 17 3.103 -4.028 11.426 1.00 0.00 H new ATOM 0 HA VAL A 17 4.979 -2.201 12.751 1.00 0.00 H new ATOM 0 HB VAL A 17 5.612 -3.859 10.275 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.849 -2.849 10.449 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.588 -1.621 10.185 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.287 -1.845 11.807 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.331 -4.927 11.678 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.745 -4.010 13.087 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.692 -5.215 12.308 1.00 0.00 H new ATOM 230 N GLN A 18 4.142 -0.419 11.245 1.00 0.00 N ATOM 231 CA GLN A 18 3.636 0.654 10.397 1.00 0.00 C ATOM 232 C GLN A 18 4.658 1.032 9.330 1.00 0.00 C ATOM 233 O GLN A 18 5.567 1.824 9.581 1.00 0.00 O ATOM 234 CB GLN A 18 3.286 1.879 11.243 1.00 0.00 C ATOM 235 CG GLN A 18 2.274 2.804 10.586 1.00 0.00 C ATOM 236 CD GLN A 18 1.414 3.539 11.595 1.00 0.00 C ATOM 237 OE1 GLN A 18 0.187 3.443 11.569 1.00 0.00 O ATOM 238 NE2 GLN A 18 2.056 4.279 12.491 1.00 0.00 N ATOM 0 H GLN A 18 4.505 -0.109 12.147 1.00 0.00 H new ATOM 0 HA GLN A 18 2.735 0.296 9.900 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.892 1.546 12.203 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.198 2.440 11.450 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.800 3.530 9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.633 2.223 9.923 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.075 4.329 12.475 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.531 4.797 13.195 1.00 0.00 H new ATOM 247 N ARG A 19 4.503 0.462 8.140 1.00 0.00 N ATOM 248 CA ARG A 19 5.414 0.738 7.036 1.00 0.00 C ATOM 249 C ARG A 19 4.889 1.881 6.172 1.00 0.00 C ATOM 250 O ARG A 19 3.879 1.738 5.482 1.00 0.00 O ATOM 251 CB ARG A 19 5.607 -0.515 6.180 1.00 0.00 C ATOM 252 CG ARG A 19 6.234 -1.677 6.933 1.00 0.00 C ATOM 253 CD ARG A 19 7.751 -1.649 6.836 1.00 0.00 C ATOM 254 NE ARG A 19 8.353 -0.847 7.898 1.00 0.00 N ATOM 255 CZ ARG A 19 9.643 -0.535 7.942 1.00 0.00 C ATOM 256 NH1 ARG A 19 10.463 -0.954 6.987 1.00 0.00 N ATOM 257 NH2 ARG A 19 10.116 0.199 8.941 1.00 0.00 N ATOM 0 H ARG A 19 3.755 -0.194 7.916 1.00 0.00 H new ATOM 0 HA ARG A 19 6.375 1.034 7.456 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.640 -0.828 5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.235 -0.267 5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.934 -1.638 7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.860 -2.618 6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.136 -2.667 6.888 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.045 -1.246 5.867 1.00 0.00 H new ATOM 0 HE ARG A 19 7.749 -0.508 8.647 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.103 -1.517 6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.453 -0.713 7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.489 0.524 9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.107 0.438 8.974 1.00 0.00 H new ATOM 271 N ILE A 20 5.581 3.015 6.215 1.00 0.00 N ATOM 272 CA ILE A 20 5.185 4.181 5.436 1.00 0.00 C ATOM 273 C ILE A 20 5.645 4.057 3.988 1.00 0.00 C ATOM 274 O ILE A 20 6.842 4.085 3.701 1.00 0.00 O ATOM 275 CB ILE A 20 5.757 5.479 6.036 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.424 5.569 7.526 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.214 6.690 5.292 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.456 4.913 8.417 1.00 0.00 C ATOM 0 H ILE A 20 6.419 3.151 6.781 1.00 0.00 H new ATOM 0 HA ILE A 20 4.096 4.226 5.466 1.00 0.00 H new ATOM 0 HB ILE A 20 6.841 5.465 5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.329 6.618 7.806 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.455 5.103 7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.627 7.600 5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.498 6.629 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.127 6.710 5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.155 5.015 9.459 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.535 3.856 8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.423 5.395 8.270 1.00 0.00 H new ATOM 290 N VAL A 21 4.687 3.922 3.077 1.00 0.00 N ATOM 291 CA VAL A 21 4.993 3.796 1.657 1.00 0.00 C ATOM 292 C VAL A 21 5.146 5.166 1.005 1.00 0.00 C ATOM 293 O VAL A 21 4.164 5.880 0.799 1.00 0.00 O ATOM 294 CB VAL A 21 3.899 3.006 0.915 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.319 2.733 -0.521 1.00 0.00 C ATOM 296 CG2 VAL A 21 3.591 1.708 1.645 1.00 0.00 C ATOM 0 H VAL A 21 3.691 3.897 3.297 1.00 0.00 H new ATOM 0 HA VAL A 21 5.936 3.254 1.583 1.00 0.00 H new ATOM 0 HB VAL A 21 2.991 3.608 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.534 2.174 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.484 3.678 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.240 2.151 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.816 1.163 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.493 1.098 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.243 1.931 2.654 1.00 0.00 H new ATOM 306 N CYS A 22 6.384 5.526 0.683 1.00 0.00 N ATOM 307 CA CYS A 22 6.666 6.811 0.053 1.00 0.00 C ATOM 308 C CYS A 22 6.619 6.695 -1.466 1.00 0.00 C ATOM 309 O CYS A 22 7.084 5.710 -2.039 1.00 0.00 O ATOM 310 CB CYS A 22 8.036 7.328 0.495 1.00 0.00 C ATOM 311 SG CYS A 22 8.529 8.879 -0.293 1.00 0.00 S ATOM 0 H CYS A 22 7.207 4.947 0.848 1.00 0.00 H new ATOM 0 HA CYS A 22 5.899 7.518 0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.028 7.469 1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.787 6.568 0.278 1.00 0.00 H new ATOM 0 HG CYS A 22 9.699 9.236 0.146 1.00 0.00 H new ATOM 317 N GLY A 23 6.052 7.708 -2.115 1.00 0.00 N ATOM 318 CA GLY A 23 5.953 7.698 -3.563 1.00 0.00 C ATOM 319 C GLY A 23 4.597 7.225 -4.048 1.00 0.00 C ATOM 320 O GLY A 23 4.493 6.582 -5.092 1.00 0.00 O ATOM 0 H GLY A 23 5.660 8.535 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.142 8.702 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.728 7.050 -3.973 1.00 0.00 H new ATOM 324 N VAL A 24 3.554 7.542 -3.287 1.00 0.00 N ATOM 325 CA VAL A 24 2.198 7.145 -3.645 1.00 0.00 C ATOM 326 C VAL A 24 1.404 8.327 -4.188 1.00 0.00 C ATOM 327 O VAL A 24 1.443 9.425 -3.631 1.00 0.00 O ATOM 328 CB VAL A 24 1.450 6.550 -2.436 1.00 0.00 C ATOM 329 CG1 VAL A 24 1.486 7.513 -1.259 1.00 0.00 C ATOM 330 CG2 VAL A 24 0.016 6.209 -2.813 1.00 0.00 C ATOM 0 H VAL A 24 3.623 8.073 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 24 2.285 6.384 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 24 1.952 5.630 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.953 7.076 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.521 7.703 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.010 8.452 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.498 5.790 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.499 7.113 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.016 5.480 -3.623 1.00 0.00 H new ATOM 340 N THR A 25 0.682 8.096 -5.280 1.00 0.00 N ATOM 341 CA THR A 25 -0.122 9.142 -5.901 1.00 0.00 C ATOM 342 C THR A 25 -1.585 8.727 -5.997 1.00 0.00 C ATOM 343 O THR A 25 -1.917 7.551 -5.851 1.00 0.00 O ATOM 344 CB THR A 25 0.396 9.487 -7.310 1.00 0.00 C ATOM 345 OG1 THR A 25 0.526 8.293 -8.090 1.00 0.00 O ATOM 346 CG2 THR A 25 1.738 10.198 -7.234 1.00 0.00 C ATOM 0 H THR A 25 0.637 7.193 -5.753 1.00 0.00 H new ATOM 0 HA THR A 25 -0.039 10.024 -5.266 1.00 0.00 H new ATOM 0 HB THR A 25 -0.324 10.154 -7.785 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.854 8.521 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.084 10.431 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.629 11.121 -6.665 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.465 9.552 -6.742 1.00 0.00 H new ATOM 354 N GLU A 26 -2.457 9.699 -6.245 1.00 0.00 N ATOM 355 CA GLU A 26 -3.886 9.433 -6.360 1.00 0.00 C ATOM 356 C GLU A 26 -4.142 8.216 -7.245 1.00 0.00 C ATOM 357 O GLU A 26 -4.892 7.312 -6.874 1.00 0.00 O ATOM 358 CB GLU A 26 -4.611 10.654 -6.931 1.00 0.00 C ATOM 359 CG GLU A 26 -4.755 11.795 -5.939 1.00 0.00 C ATOM 360 CD GLU A 26 -5.959 12.671 -6.228 1.00 0.00 C ATOM 361 OE1 GLU A 26 -6.149 13.049 -7.403 1.00 0.00 O ATOM 362 OE2 GLU A 26 -6.710 12.978 -5.279 1.00 0.00 O ATOM 0 H GLU A 26 -2.199 10.678 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.273 9.224 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.069 11.011 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.602 10.352 -7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.840 11.387 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.852 12.406 -5.960 1.00 0.00 H new ATOM 369 N VAL A 27 -3.515 8.200 -8.417 1.00 0.00 N ATOM 370 CA VAL A 27 -3.674 7.095 -9.354 1.00 0.00 C ATOM 371 C VAL A 27 -3.452 5.754 -8.665 1.00 0.00 C ATOM 372 O VAL A 27 -4.163 4.783 -8.927 1.00 0.00 O ATOM 373 CB VAL A 27 -2.698 7.219 -10.539 1.00 0.00 C ATOM 374 CG1 VAL A 27 -2.826 6.020 -11.465 1.00 0.00 C ATOM 375 CG2 VAL A 27 -2.942 8.516 -11.296 1.00 0.00 C ATOM 0 H VAL A 27 -2.892 8.940 -8.740 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.696 7.143 -9.729 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.681 7.238 -10.148 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.129 6.126 -12.296 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.597 5.108 -10.913 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.844 5.965 -11.851 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.244 8.587 -12.130 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.964 8.529 -11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.794 9.362 -10.625 1.00 0.00 H new ATOM 385 N THR A 28 -2.460 5.706 -7.781 1.00 0.00 N ATOM 386 CA THR A 28 -2.143 4.483 -7.054 1.00 0.00 C ATOM 387 C THR A 28 -3.378 3.920 -6.360 1.00 0.00 C ATOM 388 O THR A 28 -3.898 4.515 -5.416 1.00 0.00 O ATOM 389 CB THR A 28 -1.043 4.724 -6.003 1.00 0.00 C ATOM 390 OG1 THR A 28 0.150 5.193 -6.642 1.00 0.00 O ATOM 391 CG2 THR A 28 -0.743 3.447 -5.232 1.00 0.00 C ATOM 0 H THR A 28 -1.862 6.500 -7.551 1.00 0.00 H new ATOM 0 HA THR A 28 -1.782 3.763 -7.789 1.00 0.00 H new ATOM 0 HB THR A 28 -1.400 5.478 -5.301 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.888 5.194 -5.997 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.037 3.641 -4.496 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.646 3.108 -4.724 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.405 2.675 -5.924 1.00 0.00 H new ATOM 399 N THR A 29 -3.844 2.768 -6.834 1.00 0.00 N ATOM 400 CA THR A 29 -5.019 2.125 -6.259 1.00 0.00 C ATOM 401 C THR A 29 -4.644 1.276 -5.049 1.00 0.00 C ATOM 402 O THR A 29 -3.466 1.015 -4.804 1.00 0.00 O ATOM 403 CB THR A 29 -5.735 1.237 -7.293 1.00 0.00 C ATOM 404 OG1 THR A 29 -4.899 0.131 -7.652 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.091 2.035 -8.538 1.00 0.00 C ATOM 0 H THR A 29 -3.425 2.262 -7.614 1.00 0.00 H new ATOM 0 HA THR A 29 -5.694 2.921 -5.945 1.00 0.00 H new ATOM 0 HB THR A 29 -6.656 0.865 -6.844 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.471 0.311 -8.515 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.596 1.386 -9.254 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.751 2.858 -8.266 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.181 2.433 -8.988 1.00 0.00 H new ATOM 413 N CYS A 30 -5.652 0.847 -4.298 1.00 0.00 N ATOM 414 CA CYS A 30 -5.428 0.026 -3.113 1.00 0.00 C ATOM 415 C CYS A 30 -4.683 -1.255 -3.473 1.00 0.00 C ATOM 416 O CYS A 30 -3.918 -1.786 -2.668 1.00 0.00 O ATOM 417 CB CYS A 30 -6.760 -0.314 -2.444 1.00 0.00 C ATOM 418 SG CYS A 30 -7.504 1.063 -1.539 1.00 0.00 S ATOM 0 H CYS A 30 -6.632 1.054 -4.488 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.815 0.597 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.461 -0.655 -3.206 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.607 -1.146 -1.757 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.628 0.678 -1.011 1.00 0.00 H new ATOM 424 N GLN A 31 -4.913 -1.747 -4.686 1.00 0.00 N ATOM 425 CA GLN A 31 -4.266 -2.968 -5.150 1.00 0.00 C ATOM 426 C GLN A 31 -2.760 -2.767 -5.291 1.00 0.00 C ATOM 427 O GLN A 31 -1.969 -3.565 -4.790 1.00 0.00 O ATOM 428 CB GLN A 31 -4.860 -3.409 -6.489 1.00 0.00 C ATOM 429 CG GLN A 31 -4.186 -4.636 -7.080 1.00 0.00 C ATOM 430 CD GLN A 31 -4.759 -5.932 -6.542 1.00 0.00 C ATOM 431 OE1 GLN A 31 -4.912 -6.103 -5.332 1.00 0.00 O ATOM 432 NE2 GLN A 31 -5.081 -6.856 -7.441 1.00 0.00 N ATOM 0 H GLN A 31 -5.542 -1.319 -5.365 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.443 -3.746 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.921 -3.617 -6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.784 -2.586 -7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.294 -4.618 -8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.118 -4.598 -6.865 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.938 -6.673 -8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.471 -7.748 -7.138 1.00 0.00 H new ATOM 441 N GLU A 32 -2.373 -1.695 -5.975 1.00 0.00 N ATOM 442 CA GLU A 32 -0.962 -1.390 -6.181 1.00 0.00 C ATOM 443 C GLU A 32 -0.239 -1.229 -4.847 1.00 0.00 C ATOM 444 O GLU A 32 0.989 -1.278 -4.784 1.00 0.00 O ATOM 445 CB GLU A 32 -0.809 -0.115 -7.014 1.00 0.00 C ATOM 446 CG GLU A 32 -1.131 -0.307 -8.486 1.00 0.00 C ATOM 447 CD GLU A 32 -2.286 -1.264 -8.711 1.00 0.00 C ATOM 448 OE1 GLU A 32 -2.158 -2.448 -8.337 1.00 0.00 O ATOM 449 OE2 GLU A 32 -3.319 -0.827 -9.261 1.00 0.00 O ATOM 0 H GLU A 32 -3.016 -1.024 -6.395 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.512 -2.224 -6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.462 0.656 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.214 0.250 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.372 0.659 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.247 -0.683 -9.001 1.00 0.00 H new ATOM 456 N VAL A 33 -1.011 -1.035 -3.782 1.00 0.00 N ATOM 457 CA VAL A 33 -0.446 -0.867 -2.449 1.00 0.00 C ATOM 458 C VAL A 33 -0.218 -2.215 -1.775 1.00 0.00 C ATOM 459 O VAL A 33 0.921 -2.648 -1.596 1.00 0.00 O ATOM 460 CB VAL A 33 -1.360 -0.007 -1.556 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.778 0.114 -0.156 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.570 1.366 -2.176 1.00 0.00 C ATOM 0 H VAL A 33 -2.029 -0.990 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 33 0.511 -0.359 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.330 -0.498 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.437 0.725 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.684 -0.878 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.205 0.582 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.218 1.961 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.608 1.867 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.035 1.256 -3.156 1.00 0.00 H new ATOM 472 N VAL A 34 -1.309 -2.877 -1.402 1.00 0.00 N ATOM 473 CA VAL A 34 -1.229 -4.178 -0.749 1.00 0.00 C ATOM 474 C VAL A 34 -0.172 -5.058 -1.405 1.00 0.00 C ATOM 475 O VAL A 34 0.436 -5.907 -0.752 1.00 0.00 O ATOM 476 CB VAL A 34 -2.585 -4.908 -0.785 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.701 -3.986 -0.319 1.00 0.00 C ATOM 478 CG2 VAL A 34 -2.867 -5.437 -2.183 1.00 0.00 C ATOM 0 H VAL A 34 -2.259 -2.533 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.951 -3.995 0.289 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.540 -5.757 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.651 -4.519 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.502 -3.661 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.751 -3.116 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.829 -5.950 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.893 -4.606 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.081 -6.135 -2.473 1.00 0.00 H new ATOM 488 N ILE A 35 0.042 -4.850 -2.700 1.00 0.00 N ATOM 489 CA ILE A 35 1.028 -5.625 -3.445 1.00 0.00 C ATOM 490 C ILE A 35 2.446 -5.280 -3.002 1.00 0.00 C ATOM 491 O ILE A 35 3.298 -6.159 -2.876 1.00 0.00 O ATOM 492 CB ILE A 35 0.903 -5.385 -4.961 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.325 -6.110 -5.515 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.165 -5.846 -5.675 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.352 -6.186 -7.025 1.00 0.00 C ATOM 0 H ILE A 35 -0.453 -4.152 -3.255 1.00 0.00 H new ATOM 0 HA ILE A 35 0.829 -6.676 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 35 0.779 -4.316 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.354 -7.121 -5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.224 -5.601 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.062 -5.670 -6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.022 -5.288 -5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.317 -6.910 -5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.250 -6.713 -7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.354 -5.178 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.529 -6.722 -7.378 1.00 0.00 H new ATOM 507 N ALA A 36 2.691 -3.996 -2.764 1.00 0.00 N ATOM 508 CA ALA A 36 4.004 -3.536 -2.332 1.00 0.00 C ATOM 509 C ALA A 36 4.338 -4.059 -0.939 1.00 0.00 C ATOM 510 O ALA A 36 5.488 -4.387 -0.647 1.00 0.00 O ATOM 511 CB ALA A 36 4.065 -2.016 -2.354 1.00 0.00 C ATOM 0 H ALA A 36 1.997 -3.256 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 36 4.745 -3.929 -3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.052 -1.687 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.879 -1.659 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.308 -1.612 -1.682 1.00 0.00 H new ATOM 517 N LEU A 37 3.325 -4.135 -0.082 1.00 0.00 N ATOM 518 CA LEU A 37 3.511 -4.618 1.282 1.00 0.00 C ATOM 519 C LEU A 37 3.709 -6.131 1.301 1.00 0.00 C ATOM 520 O LEU A 37 4.436 -6.661 2.141 1.00 0.00 O ATOM 521 CB LEU A 37 2.308 -4.238 2.147 1.00 0.00 C ATOM 522 CG LEU A 37 2.331 -2.833 2.749 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.573 -2.640 3.605 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.270 -1.782 1.650 1.00 0.00 C ATOM 0 H LEU A 37 2.367 -3.868 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 37 4.406 -4.148 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.406 -4.338 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.229 -4.959 2.961 1.00 0.00 H new ATOM 0 HG LEU A 37 1.454 -2.716 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.573 -1.634 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.575 -3.371 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.463 -2.776 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.287 -0.788 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.128 -1.898 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.351 -1.907 1.078 1.00 0.00 H new ATOM 536 N ALA A 38 3.058 -6.819 0.369 1.00 0.00 N ATOM 537 CA ALA A 38 3.166 -8.270 0.276 1.00 0.00 C ATOM 538 C ALA A 38 4.501 -8.683 -0.335 1.00 0.00 C ATOM 539 O ALA A 38 5.102 -9.674 0.079 1.00 0.00 O ATOM 540 CB ALA A 38 2.012 -8.833 -0.540 1.00 0.00 C ATOM 0 H ALA A 38 2.450 -6.395 -0.332 1.00 0.00 H new ATOM 0 HA ALA A 38 3.117 -8.679 1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.105 -9.917 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.068 -8.576 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.036 -8.409 -1.544 1.00 0.00 H new ATOM 546 N GLN A 39 4.957 -7.918 -1.321 1.00 0.00 N ATOM 547 CA GLN A 39 6.220 -8.207 -1.990 1.00 0.00 C ATOM 548 C GLN A 39 7.373 -8.227 -0.991 1.00 0.00 C ATOM 549 O GLN A 39 8.343 -8.963 -1.163 1.00 0.00 O ATOM 550 CB GLN A 39 6.493 -7.170 -3.081 1.00 0.00 C ATOM 551 CG GLN A 39 5.752 -7.444 -4.379 1.00 0.00 C ATOM 552 CD GLN A 39 6.173 -8.746 -5.029 1.00 0.00 C ATOM 553 OE1 GLN A 39 7.364 -9.025 -5.172 1.00 0.00 O ATOM 554 NE2 GLN A 39 5.197 -9.553 -5.427 1.00 0.00 N ATOM 0 H GLN A 39 4.471 -7.094 -1.674 1.00 0.00 H new ATOM 0 HA GLN A 39 6.142 -9.193 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.211 -6.184 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.564 -7.140 -3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.680 -7.471 -4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.928 -6.622 -5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.223 -9.282 -5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.421 -10.444 -5.871 1.00 0.00 H new ATOM 563 N ALA A 40 7.258 -7.413 0.053 1.00 0.00 N ATOM 564 CA ALA A 40 8.289 -7.339 1.081 1.00 0.00 C ATOM 565 C ALA A 40 8.314 -8.607 1.927 1.00 0.00 C ATOM 566 O ALA A 40 9.356 -9.245 2.077 1.00 0.00 O ATOM 567 CB ALA A 40 8.070 -6.118 1.962 1.00 0.00 C ATOM 0 H ALA A 40 6.461 -6.796 0.209 1.00 0.00 H new ATOM 0 HA ALA A 40 9.255 -7.246 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.847 -6.076 2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.112 -5.216 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.094 -6.186 2.442 1.00 0.00 H new ATOM 573 N ILE A 41 7.160 -8.966 2.479 1.00 0.00 N ATOM 574 CA ILE A 41 7.050 -10.158 3.311 1.00 0.00 C ATOM 575 C ILE A 41 7.263 -11.424 2.487 1.00 0.00 C ATOM 576 O ILE A 41 7.758 -12.430 2.993 1.00 0.00 O ATOM 577 CB ILE A 41 5.677 -10.236 4.004 1.00 0.00 C ATOM 578 CG1 ILE A 41 4.553 -10.154 2.969 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.539 -9.124 5.033 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.168 -10.199 3.577 1.00 0.00 C ATOM 0 H ILE A 41 6.288 -8.449 2.365 1.00 0.00 H new ATOM 0 HA ILE A 41 7.828 -10.086 4.071 1.00 0.00 H new ATOM 0 HB ILE A 41 5.601 -11.193 4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.661 -9.231 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.658 -10.978 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.563 -9.193 5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.322 -9.224 5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.633 -8.157 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.421 -10.136 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.041 -11.134 4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.043 -9.359 4.261 1.00 0.00 H new ATOM 592 N GLY A 42 6.887 -11.365 1.213 1.00 0.00 N ATOM 593 CA GLY A 42 7.047 -12.513 0.339 1.00 0.00 C ATOM 594 C GLY A 42 5.742 -13.244 0.098 1.00 0.00 C ATOM 595 O GLY A 42 5.361 -13.487 -1.047 1.00 0.00 O ATOM 0 H GLY A 42 6.475 -10.543 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.458 -12.184 -0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.770 -13.201 0.777 1.00 0.00 H new ATOM 599 N ARG A 43 5.055 -13.598 1.179 1.00 0.00 N ATOM 600 CA ARG A 43 3.786 -14.309 1.080 1.00 0.00 C ATOM 601 C ARG A 43 2.919 -13.720 -0.029 1.00 0.00 C ATOM 602 O ARG A 43 2.838 -12.502 -0.190 1.00 0.00 O ATOM 603 CB ARG A 43 3.038 -14.249 2.413 1.00 0.00 C ATOM 604 CG ARG A 43 3.669 -15.099 3.504 1.00 0.00 C ATOM 605 CD ARG A 43 2.808 -15.126 4.757 1.00 0.00 C ATOM 606 NE ARG A 43 1.734 -16.112 4.663 1.00 0.00 N ATOM 607 CZ ARG A 43 1.943 -17.423 4.616 1.00 0.00 C ATOM 608 NH1 ARG A 43 3.178 -17.903 4.656 1.00 0.00 N ATOM 609 NH2 ARG A 43 0.915 -18.257 4.531 1.00 0.00 N ATOM 0 H ARG A 43 5.356 -13.404 2.134 1.00 0.00 H new ATOM 0 HA ARG A 43 3.999 -15.350 0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.996 -13.213 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.010 -14.576 2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.812 -16.116 3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.656 -14.706 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.433 -15.352 5.621 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.379 -14.138 4.923 1.00 0.00 H new ATOM 0 HE ARG A 43 0.772 -15.776 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.971 -17.265 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.335 -18.910 4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.037 -17.892 4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.076 -19.263 4.495 1.00 0.00 H new ATOM 623 N THR A 44 2.271 -14.594 -0.794 1.00 0.00 N ATOM 624 CA THR A 44 1.411 -14.162 -1.888 1.00 0.00 C ATOM 625 C THR A 44 0.530 -12.992 -1.467 1.00 0.00 C ATOM 626 O THR A 44 0.036 -12.948 -0.341 1.00 0.00 O ATOM 627 CB THR A 44 0.515 -15.312 -2.386 1.00 0.00 C ATOM 628 OG1 THR A 44 -0.280 -15.815 -1.306 1.00 0.00 O ATOM 629 CG2 THR A 44 1.353 -16.437 -2.972 1.00 0.00 C ATOM 0 H THR A 44 2.326 -15.606 -0.675 1.00 0.00 H new ATOM 0 HA THR A 44 2.067 -13.845 -2.699 1.00 0.00 H new ATOM 0 HB THR A 44 -0.138 -14.923 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.848 -16.545 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.698 -17.237 -3.317 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.935 -16.058 -3.812 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.028 -16.824 -2.208 1.00 0.00 H new ATOM 637 N GLY A 45 0.337 -12.044 -2.379 1.00 0.00 N ATOM 638 CA GLY A 45 -0.486 -10.886 -2.082 1.00 0.00 C ATOM 639 C GLY A 45 -1.889 -11.266 -1.651 1.00 0.00 C ATOM 640 O GLY A 45 -2.080 -11.857 -0.588 1.00 0.00 O ATOM 0 H GLY A 45 0.736 -12.057 -3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.013 -10.301 -1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.541 -10.247 -2.964 1.00 0.00 H new ATOM 644 N ARG A 46 -2.873 -10.925 -2.476 1.00 0.00 N ATOM 645 CA ARG A 46 -4.265 -11.232 -2.173 1.00 0.00 C ATOM 646 C ARG A 46 -4.643 -10.727 -0.783 1.00 0.00 C ATOM 647 O ARG A 46 -5.180 -11.475 0.035 1.00 0.00 O ATOM 648 CB ARG A 46 -4.509 -12.739 -2.264 1.00 0.00 C ATOM 649 CG ARG A 46 -4.549 -13.265 -3.689 1.00 0.00 C ATOM 650 CD ARG A 46 -4.637 -14.782 -3.721 1.00 0.00 C ATOM 651 NE ARG A 46 -4.589 -15.305 -5.084 1.00 0.00 N ATOM 652 CZ ARG A 46 -3.468 -15.430 -5.785 1.00 0.00 C ATOM 653 NH1 ARG A 46 -2.307 -15.073 -5.253 1.00 0.00 N ATOM 654 NH2 ARG A 46 -3.506 -15.914 -7.020 1.00 0.00 N ATOM 0 H ARG A 46 -2.732 -10.436 -3.360 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.891 -10.725 -2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.724 -13.259 -1.716 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.452 -12.976 -1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.406 -12.839 -4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.656 -12.940 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.816 -15.205 -3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.563 -15.101 -3.243 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.465 -15.590 -5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.274 -14.702 -4.304 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.447 -15.170 -5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.397 -16.191 -7.432 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.644 -16.009 -7.557 1.00 0.00 H new ATOM 668 N TYR A 47 -4.357 -9.457 -0.523 1.00 0.00 N ATOM 669 CA TYR A 47 -4.663 -8.853 0.769 1.00 0.00 C ATOM 670 C TYR A 47 -5.771 -7.812 0.635 1.00 0.00 C ATOM 671 O TYR A 47 -6.212 -7.496 -0.470 1.00 0.00 O ATOM 672 CB TYR A 47 -3.411 -8.208 1.364 1.00 0.00 C ATOM 673 CG TYR A 47 -2.363 -9.208 1.798 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.419 -9.690 0.899 1.00 0.00 C ATOM 675 CD2 TYR A 47 -2.315 -9.669 3.108 1.00 0.00 C ATOM 676 CE1 TYR A 47 -0.461 -10.604 1.291 1.00 0.00 C ATOM 677 CE2 TYR A 47 -1.359 -10.582 3.509 1.00 0.00 C ATOM 678 CZ TYR A 47 -0.434 -11.047 2.597 1.00 0.00 C ATOM 679 OH TYR A 47 0.520 -11.956 2.992 1.00 0.00 O ATOM 0 H TYR A 47 -3.914 -8.825 -1.189 1.00 0.00 H new ATOM 0 HA TYR A 47 -5.009 -9.642 1.437 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.975 -7.534 0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.698 -7.600 2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.435 -9.344 -0.124 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.037 -9.307 3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.263 -10.970 0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.336 -10.930 4.531 1.00 0.00 H new ATOM 0 HH TYR A 47 0.401 -12.163 3.942 1.00 0.00 H new ATOM 689 N THR A 48 -6.216 -7.282 1.770 1.00 0.00 N ATOM 690 CA THR A 48 -7.271 -6.277 1.782 1.00 0.00 C ATOM 691 C THR A 48 -6.924 -5.126 2.719 1.00 0.00 C ATOM 692 O THR A 48 -6.400 -5.339 3.813 1.00 0.00 O ATOM 693 CB THR A 48 -8.620 -6.884 2.211 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.651 -5.893 2.133 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.541 -7.431 3.628 1.00 0.00 C ATOM 0 H THR A 48 -5.862 -7.532 2.693 1.00 0.00 H new ATOM 0 HA THR A 48 -7.358 -5.899 0.763 1.00 0.00 H new ATOM 0 HB THR A 48 -8.855 -7.705 1.534 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.394 -6.147 2.719 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.505 -7.854 3.909 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.776 -8.206 3.677 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.285 -6.625 4.315 1.00 0.00 H new ATOM 703 N LEU A 49 -7.220 -3.906 2.285 1.00 0.00 N ATOM 704 CA LEU A 49 -6.939 -2.720 3.086 1.00 0.00 C ATOM 705 C LEU A 49 -8.119 -2.384 3.993 1.00 0.00 C ATOM 706 O LEU A 49 -9.148 -1.889 3.531 1.00 0.00 O ATOM 707 CB LEU A 49 -6.624 -1.529 2.178 1.00 0.00 C ATOM 708 CG LEU A 49 -5.177 -1.416 1.698 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.027 -0.258 0.724 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.235 -1.246 2.881 1.00 0.00 C ATOM 0 H LEU A 49 -7.655 -3.712 1.383 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.072 -2.931 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.273 -1.583 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.882 -0.614 2.710 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.913 -2.337 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.991 -0.193 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.674 -0.422 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.309 0.672 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.209 -1.167 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.498 -0.341 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.322 -2.108 3.542 1.00 0.00 H new ATOM 722 N ILE A 50 -7.962 -2.654 5.284 1.00 0.00 N ATOM 723 CA ILE A 50 -9.013 -2.377 6.255 1.00 0.00 C ATOM 724 C ILE A 50 -8.627 -1.217 7.167 1.00 0.00 C ATOM 725 O ILE A 50 -7.582 -1.246 7.816 1.00 0.00 O ATOM 726 CB ILE A 50 -9.320 -3.614 7.120 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.882 -4.743 6.253 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.297 -3.256 8.230 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.934 -6.079 6.959 1.00 0.00 C ATOM 0 H ILE A 50 -7.117 -3.064 5.682 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.904 -2.109 5.688 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.392 -3.958 7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.887 -4.474 5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.271 -4.839 5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.504 -4.141 8.832 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.862 -2.481 8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.226 -2.890 7.793 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.343 -6.831 6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.928 -6.370 7.261 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.569 -6.000 7.842 1.00 0.00 H new ATOM 741 N GLU A 51 -9.480 -0.198 7.211 1.00 0.00 N ATOM 742 CA GLU A 51 -9.228 0.972 8.045 1.00 0.00 C ATOM 743 C GLU A 51 -10.080 0.931 9.310 1.00 0.00 C ATOM 744 O GLU A 51 -11.296 0.748 9.249 1.00 0.00 O ATOM 745 CB GLU A 51 -9.518 2.254 7.263 1.00 0.00 C ATOM 746 CG GLU A 51 -10.979 2.668 7.292 1.00 0.00 C ATOM 747 CD GLU A 51 -11.880 1.680 6.577 1.00 0.00 C ATOM 748 OE1 GLU A 51 -11.384 0.969 5.678 1.00 0.00 O ATOM 749 OE2 GLU A 51 -13.080 1.617 6.916 1.00 0.00 O ATOM 0 H GLU A 51 -10.350 -0.159 6.680 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.177 0.961 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.912 3.063 7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.209 2.115 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.304 2.767 8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.084 3.650 6.830 1.00 0.00 H new ATOM 756 N LYS A 52 -9.433 1.104 10.458 1.00 0.00 N ATOM 757 CA LYS A 52 -10.128 1.088 11.739 1.00 0.00 C ATOM 758 C LYS A 52 -10.089 2.464 12.396 1.00 0.00 C ATOM 759 O LYS A 52 -9.026 3.072 12.521 1.00 0.00 O ATOM 760 CB LYS A 52 -9.502 0.048 12.671 1.00 0.00 C ATOM 761 CG LYS A 52 -10.113 0.030 14.061 1.00 0.00 C ATOM 762 CD LYS A 52 -9.612 -1.151 14.875 1.00 0.00 C ATOM 763 CE LYS A 52 -9.911 -0.974 16.356 1.00 0.00 C ATOM 764 NZ LYS A 52 -9.099 0.119 16.959 1.00 0.00 N ATOM 0 H LYS A 52 -8.427 1.257 10.527 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.169 0.821 11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.610 -0.940 12.223 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.433 0.245 12.756 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.871 0.958 14.578 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.199 -0.016 13.981 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.080 -2.067 14.515 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.538 -1.264 14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.970 -0.755 16.489 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.710 -1.908 16.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.093 0.017 17.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.124 0.066 16.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.512 1.039 16.704 1.00 0.00 H new ATOM 778 N TRP A 53 -11.252 2.948 12.816 1.00 0.00 N ATOM 779 CA TRP A 53 -11.349 4.252 13.462 1.00 0.00 C ATOM 780 C TRP A 53 -12.551 4.308 14.398 1.00 0.00 C ATOM 781 O TRP A 53 -13.685 4.068 13.982 1.00 0.00 O ATOM 782 CB TRP A 53 -11.455 5.358 12.411 1.00 0.00 C ATOM 783 CG TRP A 53 -11.828 6.691 12.986 1.00 0.00 C ATOM 784 CD1 TRP A 53 -10.986 7.602 13.557 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.140 7.260 13.048 1.00 0.00 C ATOM 786 NE1 TRP A 53 -11.696 8.704 13.970 1.00 0.00 N ATOM 787 CE2 TRP A 53 -13.019 8.519 13.669 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.405 6.831 12.638 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -14.116 9.349 13.888 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.492 7.655 12.857 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.342 8.903 13.477 1.00 0.00 C ATOM 0 H TRP A 53 -12.141 2.457 12.721 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.445 4.405 14.052 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -10.501 5.449 11.892 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.197 5.071 11.666 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -9.919 7.475 13.668 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -11.301 9.526 14.427 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.531 5.872 12.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.002 10.311 14.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.474 7.332 12.545 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -16.211 9.525 13.633 1.00 0.00 H new ATOM 802 N ARG A 54 -12.296 4.625 15.663 1.00 0.00 N ATOM 803 CA ARG A 54 -13.358 4.710 16.659 1.00 0.00 C ATOM 804 C ARG A 54 -14.146 3.405 16.727 1.00 0.00 C ATOM 805 O ARG A 54 -15.377 3.412 16.760 1.00 0.00 O ATOM 806 CB ARG A 54 -14.300 5.871 16.332 1.00 0.00 C ATOM 807 CG ARG A 54 -13.745 7.232 16.716 1.00 0.00 C ATOM 808 CD ARG A 54 -13.544 7.348 18.219 1.00 0.00 C ATOM 809 NE ARG A 54 -13.494 8.740 18.659 1.00 0.00 N ATOM 810 CZ ARG A 54 -13.613 9.114 19.928 1.00 0.00 C ATOM 811 NH1 ARG A 54 -13.787 8.205 20.877 1.00 0.00 N ATOM 812 NH2 ARG A 54 -13.557 10.400 20.249 1.00 0.00 N ATOM 0 H ARG A 54 -11.363 4.827 16.023 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.897 4.887 17.631 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.514 5.864 15.263 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.247 5.716 16.848 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.795 7.395 16.207 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.426 8.013 16.378 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.356 6.834 18.734 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.619 6.845 18.501 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.360 9.464 17.953 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.830 7.215 20.634 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.878 8.495 21.851 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.423 11.102 19.521 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.648 10.687 21.224 1.00 0.00 H new ATOM 826 N ASP A 55 -13.428 2.288 16.747 1.00 0.00 N ATOM 827 CA ASP A 55 -14.059 0.975 16.811 1.00 0.00 C ATOM 828 C ASP A 55 -14.906 0.717 15.569 1.00 0.00 C ATOM 829 O ASP A 55 -15.967 0.097 15.644 1.00 0.00 O ATOM 830 CB ASP A 55 -14.927 0.863 18.066 1.00 0.00 C ATOM 831 CG ASP A 55 -15.453 -0.542 18.283 1.00 0.00 C ATOM 832 OD1 ASP A 55 -14.812 -1.498 17.798 1.00 0.00 O ATOM 833 OD2 ASP A 55 -16.506 -0.685 18.939 1.00 0.00 O ATOM 0 H ASP A 55 -12.409 2.265 16.720 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.271 0.223 16.854 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.345 1.168 18.935 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.766 1.554 17.986 1.00 0.00 H new ATOM 838 N THR A 56 -14.429 1.197 14.424 1.00 0.00 N ATOM 839 CA THR A 56 -15.142 1.021 13.166 1.00 0.00 C ATOM 840 C THR A 56 -14.199 0.566 12.058 1.00 0.00 C ATOM 841 O THR A 56 -13.435 1.364 11.515 1.00 0.00 O ATOM 842 CB THR A 56 -15.840 2.323 12.728 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.735 2.767 13.754 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.609 2.115 11.432 1.00 0.00 C ATOM 0 H THR A 56 -13.552 1.711 14.343 1.00 0.00 H new ATOM 0 HA THR A 56 -15.896 0.253 13.336 1.00 0.00 H new ATOM 0 HB THR A 56 -15.075 3.081 12.560 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.174 3.596 13.469 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.093 3.048 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.920 1.805 10.646 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.365 1.343 11.577 1.00 0.00 H new ATOM 852 N GLU A 57 -14.257 -0.720 11.727 1.00 0.00 N ATOM 853 CA GLU A 57 -13.407 -1.279 10.683 1.00 0.00 C ATOM 854 C GLU A 57 -14.247 -1.843 9.541 1.00 0.00 C ATOM 855 O GLU A 57 -15.324 -2.397 9.763 1.00 0.00 O ATOM 856 CB GLU A 57 -12.508 -2.375 11.260 1.00 0.00 C ATOM 857 CG GLU A 57 -13.269 -3.607 11.721 1.00 0.00 C ATOM 858 CD GLU A 57 -12.570 -4.335 12.853 1.00 0.00 C ATOM 859 OE1 GLU A 57 -12.808 -3.975 14.025 1.00 0.00 O ATOM 860 OE2 GLU A 57 -11.786 -5.263 12.567 1.00 0.00 O ATOM 0 H GLU A 57 -14.884 -1.394 12.167 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.783 -0.477 10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.779 -2.670 10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.948 -1.968 12.102 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.267 -3.313 12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.395 -4.288 10.879 1.00 0.00 H new ATOM 867 N ARG A 58 -13.746 -1.698 8.318 1.00 0.00 N ATOM 868 CA ARG A 58 -14.450 -2.191 7.141 1.00 0.00 C ATOM 869 C ARG A 58 -13.465 -2.615 6.056 1.00 0.00 C ATOM 870 O ARG A 58 -12.286 -2.264 6.102 1.00 0.00 O ATOM 871 CB ARG A 58 -15.392 -1.116 6.596 1.00 0.00 C ATOM 872 CG ARG A 58 -16.797 -1.187 7.174 1.00 0.00 C ATOM 873 CD ARG A 58 -17.542 -2.415 6.674 1.00 0.00 C ATOM 874 NE ARG A 58 -18.803 -2.616 7.384 1.00 0.00 N ATOM 875 CZ ARG A 58 -19.884 -1.868 7.188 1.00 0.00 C ATOM 876 NH1 ARG A 58 -19.857 -0.876 6.309 1.00 0.00 N ATOM 877 NH2 ARG A 58 -20.994 -2.113 7.872 1.00 0.00 N ATOM 0 H ARG A 58 -12.855 -1.243 8.117 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.035 -3.062 7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.970 -0.134 6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.449 -1.211 5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.743 -1.210 8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.350 -0.288 6.901 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.739 -2.310 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.912 -3.296 6.797 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.857 -3.371 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.005 -0.685 5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -20.688 -0.303 6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -21.018 -2.876 8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -21.823 -1.539 7.721 1.00 0.00 H new ATOM 891 N HIS A 59 -13.956 -3.374 5.081 1.00 0.00 N ATOM 892 CA HIS A 59 -13.119 -3.847 3.985 1.00 0.00 C ATOM 893 C HIS A 59 -13.186 -2.890 2.798 1.00 0.00 C ATOM 894 O HIS A 59 -14.255 -2.380 2.459 1.00 0.00 O ATOM 895 CB HIS A 59 -13.552 -5.248 3.551 1.00 0.00 C ATOM 896 CG HIS A 59 -13.043 -6.336 4.445 1.00 0.00 C ATOM 897 ND1 HIS A 59 -11.933 -7.098 4.146 1.00 0.00 N ATOM 898 CD2 HIS A 59 -13.497 -6.788 5.637 1.00 0.00 C ATOM 899 CE1 HIS A 59 -11.728 -7.972 5.114 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.663 -7.805 6.032 1.00 0.00 N ATOM 0 H HIS A 59 -14.929 -3.674 5.028 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.089 -3.887 4.339 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.641 -5.291 3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.201 -5.430 2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.356 -6.418 6.177 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -10.931 -8.700 5.149 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.751 -8.344 6.894 1.00 0.00 H new ATOM 909 N LEU A 60 -12.040 -2.651 2.171 1.00 0.00 N ATOM 910 CA LEU A 60 -11.969 -1.755 1.022 1.00 0.00 C ATOM 911 C LEU A 60 -11.912 -2.545 -0.282 1.00 0.00 C ATOM 912 O LEU A 60 -11.685 -3.754 -0.277 1.00 0.00 O ATOM 913 CB LEU A 60 -10.744 -0.846 1.135 1.00 0.00 C ATOM 914 CG LEU A 60 -10.861 0.319 2.118 1.00 0.00 C ATOM 915 CD1 LEU A 60 -9.492 0.920 2.398 1.00 0.00 C ATOM 916 CD2 LEU A 60 -11.811 1.378 1.580 1.00 0.00 C ATOM 0 H LEU A 60 -11.147 -3.065 2.439 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.870 -1.141 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.889 -1.456 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.525 -0.441 0.147 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.267 -0.061 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.595 1.748 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.841 0.158 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.058 1.285 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.882 2.199 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.435 1.755 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.798 0.940 1.432 1.00 0.00 H new ATOM 928 N ALA A 61 -12.118 -1.851 -1.397 1.00 0.00 N ATOM 929 CA ALA A 61 -12.086 -2.487 -2.708 1.00 0.00 C ATOM 930 C ALA A 61 -10.739 -2.271 -3.390 1.00 0.00 C ATOM 931 O ALA A 61 -10.071 -1.256 -3.191 1.00 0.00 O ATOM 932 CB ALA A 61 -13.213 -1.954 -3.580 1.00 0.00 C ATOM 0 H ALA A 61 -12.309 -0.849 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.225 -3.559 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.177 -2.437 -4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.171 -2.165 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.099 -0.877 -3.704 1.00 0.00 H new ATOM 938 N PRO A 62 -10.329 -3.246 -4.214 1.00 0.00 N ATOM 939 CA PRO A 62 -9.058 -3.186 -4.942 1.00 0.00 C ATOM 940 C PRO A 62 -9.070 -2.128 -6.041 1.00 0.00 C ATOM 941 O PRO A 62 -8.030 -1.566 -6.386 1.00 0.00 O ATOM 942 CB PRO A 62 -8.929 -4.585 -5.548 1.00 0.00 C ATOM 943 CG PRO A 62 -10.330 -5.080 -5.661 1.00 0.00 C ATOM 944 CD PRO A 62 -11.074 -4.484 -4.499 1.00 0.00 C ATOM 0 HA PRO A 62 -8.228 -2.911 -4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.441 -4.551 -6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.329 -5.237 -4.914 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.776 -4.776 -6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.363 -6.169 -5.628 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.114 -4.278 -4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.081 -5.155 -3.640 1.00 0.00 H new ATOM 952 N HIS A 63 -10.252 -1.862 -6.587 1.00 0.00 N ATOM 953 CA HIS A 63 -10.398 -0.871 -7.647 1.00 0.00 C ATOM 954 C HIS A 63 -10.528 0.533 -7.064 1.00 0.00 C ATOM 955 O HIS A 63 -10.614 1.515 -7.800 1.00 0.00 O ATOM 956 CB HIS A 63 -11.619 -1.192 -8.510 1.00 0.00 C ATOM 957 CG HIS A 63 -12.824 -1.595 -7.716 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.634 -0.688 -7.066 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.355 -2.815 -7.471 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.611 -1.334 -6.454 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.465 -2.626 -6.685 1.00 0.00 N ATOM 0 H HIS A 63 -11.122 -2.318 -6.313 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.503 -0.906 -8.269 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.867 -0.319 -9.113 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.364 -1.995 -9.201 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -12.976 -3.762 -7.827 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.395 -0.882 -5.865 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.077 -3.364 -6.336 1.00 0.00 H new ATOM 970 N GLU A 64 -10.542 0.619 -5.737 1.00 0.00 N ATOM 971 CA GLU A 64 -10.663 1.902 -5.057 1.00 0.00 C ATOM 972 C GLU A 64 -9.291 2.531 -4.834 1.00 0.00 C ATOM 973 O GLU A 64 -8.270 1.980 -5.243 1.00 0.00 O ATOM 974 CB GLU A 64 -11.381 1.729 -3.717 1.00 0.00 C ATOM 975 CG GLU A 64 -12.895 1.702 -3.836 1.00 0.00 C ATOM 976 CD GLU A 64 -13.437 2.861 -4.651 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.516 2.730 -5.890 1.00 0.00 O ATOM 978 OE2 GLU A 64 -13.781 3.900 -4.048 1.00 0.00 O ATOM 0 H GLU A 64 -10.471 -0.185 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.249 2.566 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.045 0.802 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.092 2.543 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.203 0.763 -4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.335 1.727 -2.839 1.00 0.00 H new ATOM 985 N ASN A 65 -9.276 3.689 -4.181 1.00 0.00 N ATOM 986 CA ASN A 65 -8.030 4.395 -3.904 1.00 0.00 C ATOM 987 C ASN A 65 -7.879 4.665 -2.410 1.00 0.00 C ATOM 988 O ASN A 65 -8.834 5.015 -1.717 1.00 0.00 O ATOM 989 CB ASN A 65 -7.983 5.713 -4.680 1.00 0.00 C ATOM 990 CG ASN A 65 -7.704 5.505 -6.156 1.00 0.00 C ATOM 991 OD1 ASN A 65 -6.921 4.634 -6.534 1.00 0.00 O ATOM 992 ND2 ASN A 65 -8.344 6.308 -6.997 1.00 0.00 N ATOM 0 H ASN A 65 -10.113 4.158 -3.834 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.203 3.762 -4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.933 6.235 -4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.212 6.355 -4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.196 6.217 -8.002 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.984 7.016 -6.638 1.00 0.00 H new ATOM 999 N PRO A 66 -6.649 4.500 -1.901 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.342 4.721 -0.485 1.00 0.00 C ATOM 1001 C PRO A 66 -6.410 6.196 -0.101 1.00 0.00 C ATOM 1002 O PRO A 66 -6.994 6.554 0.922 1.00 0.00 O ATOM 1003 CB PRO A 66 -4.911 4.197 -0.345 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.328 4.321 -1.711 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.463 4.084 -2.668 1.00 0.00 C ATOM 0 HA PRO A 66 -7.058 4.223 0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.345 4.780 0.382 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.900 3.162 -0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.891 5.308 -1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.531 3.593 -1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.349 4.670 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.525 3.038 -2.967 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.810 7.045 -0.927 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.804 8.481 -0.674 1.00 0.00 C ATOM 1015 C ILE A 67 -7.223 9.018 -0.524 1.00 0.00 C ATOM 1016 O ILE A 67 -7.588 9.551 0.525 1.00 0.00 O ATOM 1017 CB ILE A 67 -5.093 9.249 -1.804 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.653 8.755 -1.959 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -5.119 10.744 -1.526 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.746 9.171 -0.823 1.00 0.00 C ATOM 0 H ILE A 67 -5.322 6.764 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.259 8.635 0.257 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.623 9.064 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.656 7.667 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.246 9.135 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.613 11.273 -2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.153 11.084 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.610 10.948 -0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.742 8.786 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.712 10.259 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.129 8.768 0.115 1.00 0.00 H new ATOM 1032 N ILE A 68 -8.019 8.874 -1.578 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.399 9.343 -1.561 1.00 0.00 C ATOM 1034 C ILE A 68 -10.178 8.719 -0.408 1.00 0.00 C ATOM 1035 O ILE A 68 -10.807 9.423 0.383 1.00 0.00 O ATOM 1036 CB ILE A 68 -10.119 9.021 -2.885 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -9.469 9.783 -4.042 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.597 9.365 -2.781 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.282 9.065 -4.646 1.00 0.00 C ATOM 0 H ILE A 68 -7.732 8.437 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.363 10.424 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.028 7.953 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.214 9.953 -4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.149 10.763 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.092 9.132 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.051 8.782 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.709 10.428 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.871 9.662 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.518 8.918 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.600 8.096 -5.031 1.00 0.00 H new ATOM 1051 N SER A 69 -10.130 7.394 -0.317 1.00 0.00 N ATOM 1052 CA SER A 69 -10.833 6.674 0.739 1.00 0.00 C ATOM 1053 C SER A 69 -10.584 7.323 2.097 1.00 0.00 C ATOM 1054 O SER A 69 -11.487 7.416 2.929 1.00 0.00 O ATOM 1055 CB SER A 69 -10.388 5.211 0.771 1.00 0.00 C ATOM 1056 OG SER A 69 -11.047 4.500 1.805 1.00 0.00 O ATOM 0 H SER A 69 -9.612 6.797 -0.962 1.00 0.00 H new ATOM 0 HA SER A 69 -11.901 6.717 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.600 4.742 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.309 5.159 0.920 1.00 0.00 H new ATOM 0 HG SER A 69 -10.415 3.887 2.235 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.352 7.771 2.315 1.00 0.00 N ATOM 1063 CA LEU A 70 -8.982 8.412 3.572 1.00 0.00 C ATOM 1064 C LEU A 70 -9.463 9.859 3.607 1.00 0.00 C ATOM 1065 O LEU A 70 -10.073 10.297 4.582 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.466 8.362 3.766 1.00 0.00 C ATOM 1067 CG LEU A 70 -6.975 8.337 5.213 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -5.534 7.853 5.280 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -7.107 9.715 5.846 1.00 0.00 C ATOM 0 H LEU A 70 -8.593 7.702 1.637 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.464 7.868 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.084 7.476 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.028 9.228 3.270 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.597 7.640 5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.202 7.842 6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.469 6.846 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.898 8.524 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.753 9.678 6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.511 10.433 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.153 10.023 5.833 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.186 10.596 2.536 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.592 11.994 2.444 1.00 0.00 C ATOM 1083 C ASN A 71 -10.959 12.207 3.087 1.00 0.00 C ATOM 1084 O ASN A 71 -11.167 13.167 3.829 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.629 12.441 0.981 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.246 12.506 0.362 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -8.022 12.003 -0.739 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.310 13.129 1.069 1.00 0.00 N ATOM 0 H ASN A 71 -8.682 10.249 1.720 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.859 12.595 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.248 11.751 0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.100 13.422 0.915 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.361 13.205 0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.540 13.531 1.977 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.890 11.303 2.797 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.238 11.389 3.347 1.00 0.00 C ATOM 1097 C LYS A 72 -13.210 11.932 4.773 1.00 0.00 C ATOM 1098 O LYS A 72 -13.919 12.885 5.098 1.00 0.00 O ATOM 1099 CB LYS A 72 -13.908 10.014 3.327 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.380 9.587 1.948 1.00 0.00 C ATOM 1101 CD LYS A 72 -14.870 8.149 1.947 1.00 0.00 C ATOM 1102 CE LYS A 72 -15.116 7.645 0.533 1.00 0.00 C ATOM 1103 NZ LYS A 72 -16.485 7.982 0.054 1.00 0.00 N ATOM 0 H LYS A 72 -11.735 10.503 2.184 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.814 12.076 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.206 9.272 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.760 10.025 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.183 10.246 1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.564 9.695 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.134 7.512 2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.791 8.077 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.378 8.080 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.977 6.564 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.613 7.621 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.190 7.546 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.610 9.014 0.058 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.387 11.322 5.617 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.266 11.746 7.008 1.00 0.00 C ATOM 1119 C TRP A 73 -11.814 13.199 7.096 1.00 0.00 C ATOM 1120 O TRP A 73 -12.439 14.013 7.774 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.279 10.846 7.753 1.00 0.00 C ATOM 1122 CG TRP A 73 -11.595 9.386 7.626 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -10.873 8.448 6.944 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -12.714 8.698 8.195 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -11.477 7.219 7.055 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -12.607 7.345 7.818 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -13.795 9.093 8.987 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -13.542 6.389 8.206 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -14.722 8.143 9.372 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -14.590 6.803 8.982 1.00 0.00 C ATOM 0 H TRP A 73 -11.793 10.532 5.364 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.247 11.661 7.475 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.274 11.027 7.372 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.274 11.119 8.808 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.962 8.644 6.398 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.138 6.353 6.637 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.904 10.123 9.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.443 5.357 7.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.562 8.438 9.983 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.330 6.084 9.300 1.00 0.00 H new ATOM 1141 N GLY A 74 -10.723 13.519 6.406 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.207 14.875 6.421 1.00 0.00 C ATOM 1143 C GLY A 74 -9.746 15.305 7.800 1.00 0.00 C ATOM 1144 O GLY A 74 -8.620 15.012 8.203 1.00 0.00 O ATOM 0 H GLY A 74 -10.188 12.863 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.374 14.951 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.980 15.559 6.070 1.00 0.00 H new ATOM 1148 N GLN A 75 -10.616 16.002 8.522 1.00 0.00 N ATOM 1149 CA GLN A 75 -10.290 16.475 9.863 1.00 0.00 C ATOM 1150 C GLN A 75 -9.704 15.349 10.709 1.00 0.00 C ATOM 1151 O GLN A 75 -8.664 15.516 11.347 1.00 0.00 O ATOM 1152 CB GLN A 75 -11.536 17.045 10.543 1.00 0.00 C ATOM 1153 CG GLN A 75 -11.291 17.514 11.968 1.00 0.00 C ATOM 1154 CD GLN A 75 -10.833 18.957 12.036 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -10.017 19.401 11.228 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -11.357 19.700 13.004 1.00 0.00 N ATOM 0 H GLN A 75 -11.552 16.252 8.202 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.543 17.263 9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.911 17.882 9.953 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.317 16.284 10.549 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.208 17.400 12.547 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.539 16.876 12.432 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.030 19.292 13.652 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.086 20.679 13.099 1.00 0.00 H new ATOM 1165 N TYR A 76 -10.379 14.205 10.711 1.00 0.00 N ATOM 1166 CA TYR A 76 -9.926 13.053 11.482 1.00 0.00 C ATOM 1167 C TYR A 76 -9.336 11.983 10.568 1.00 0.00 C ATOM 1168 O TYR A 76 -9.613 10.795 10.725 1.00 0.00 O ATOM 1169 CB TYR A 76 -11.085 12.466 12.289 1.00 0.00 C ATOM 1170 CG TYR A 76 -11.313 13.160 13.613 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -12.113 14.293 13.698 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -10.730 12.682 14.780 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -12.323 14.930 14.905 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -10.935 13.312 15.992 1.00 0.00 C ATOM 1175 CZ TYR A 76 -11.733 14.436 16.049 1.00 0.00 C ATOM 1176 OH TYR A 76 -11.941 15.067 17.254 1.00 0.00 O ATOM 0 H TYR A 76 -11.241 14.051 10.188 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.148 13.390 12.167 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.997 12.526 11.695 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.891 11.409 12.471 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.579 14.682 12.805 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.105 11.802 14.739 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.946 15.811 14.953 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.474 12.927 16.889 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.456 14.592 17.960 1.00 0.00 H new ATOM 1186 N ALA A 77 -8.521 12.416 9.612 1.00 0.00 N ATOM 1187 CA ALA A 77 -7.889 11.497 8.673 1.00 0.00 C ATOM 1188 C ALA A 77 -6.667 10.831 9.296 1.00 0.00 C ATOM 1189 O ALA A 77 -6.582 9.604 9.361 1.00 0.00 O ATOM 1190 CB ALA A 77 -7.500 12.230 7.398 1.00 0.00 C ATOM 0 H ALA A 77 -8.283 13.397 9.467 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.609 10.717 8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.029 11.532 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.391 12.654 6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.800 13.031 7.638 1.00 0.00 H new ATOM 1196 N SER A 78 -5.721 11.647 9.752 1.00 0.00 N ATOM 1197 CA SER A 78 -4.501 11.135 10.366 1.00 0.00 C ATOM 1198 C SER A 78 -4.824 10.083 11.422 1.00 0.00 C ATOM 1199 O SER A 78 -4.223 9.009 11.448 1.00 0.00 O ATOM 1200 CB SER A 78 -3.705 12.279 10.997 1.00 0.00 C ATOM 1201 OG SER A 78 -3.331 13.238 10.023 1.00 0.00 O ATOM 0 H SER A 78 -5.776 12.665 9.708 1.00 0.00 H new ATOM 0 HA SER A 78 -3.899 10.669 9.586 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.303 12.758 11.772 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.813 11.882 11.482 1.00 0.00 H new ATOM 0 HG SER A 78 -2.825 13.960 10.452 1.00 0.00 H new ATOM 1207 N ASP A 79 -5.778 10.399 12.291 1.00 0.00 N ATOM 1208 CA ASP A 79 -6.183 9.481 13.349 1.00 0.00 C ATOM 1209 C ASP A 79 -6.485 8.098 12.783 1.00 0.00 C ATOM 1210 O ASP A 79 -6.163 7.080 13.396 1.00 0.00 O ATOM 1211 CB ASP A 79 -7.410 10.025 14.083 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.049 11.072 15.118 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.377 12.059 14.753 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -7.438 10.904 16.293 1.00 0.00 O ATOM 0 H ASP A 79 -6.285 11.284 12.283 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.357 9.392 14.055 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.101 10.457 13.359 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.933 9.202 14.570 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.107 8.068 11.608 1.00 0.00 N ATOM 1220 CA VAL A 80 -7.453 6.809 10.958 1.00 0.00 C ATOM 1221 C VAL A 80 -6.202 6.018 10.592 1.00 0.00 C ATOM 1222 O VAL A 80 -5.225 6.578 10.097 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.288 7.046 9.685 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.519 5.736 8.947 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -9.610 7.712 10.033 1.00 0.00 C ATOM 0 H VAL A 80 -7.381 8.901 11.087 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.046 6.236 11.671 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.733 7.714 9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.110 5.923 8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.559 5.303 8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.053 5.042 9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.187 7.872 9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.173 7.071 10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.419 8.671 10.515 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.242 4.712 10.840 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.111 3.844 10.537 1.00 0.00 C ATOM 1237 C GLN A 81 -5.555 2.641 9.711 1.00 0.00 C ATOM 1238 O GLN A 81 -6.609 2.056 9.963 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.442 3.371 11.829 1.00 0.00 C ATOM 1240 CG GLN A 81 -5.347 2.521 12.706 1.00 0.00 C ATOM 1241 CD GLN A 81 -4.747 2.249 14.072 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -3.786 2.901 14.482 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -5.313 1.282 14.785 1.00 0.00 N ATOM 0 H GLN A 81 -7.044 4.233 11.249 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.391 4.418 9.953 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.550 2.797 11.578 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.112 4.241 12.397 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.306 3.025 12.828 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.546 1.573 12.205 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.108 0.767 14.406 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.953 1.054 15.712 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.744 2.276 8.723 1.00 0.00 N ATOM 1253 CA LEU A 82 -5.053 1.142 7.859 1.00 0.00 C ATOM 1254 C LEU A 82 -4.474 -0.150 8.427 1.00 0.00 C ATOM 1255 O LEU A 82 -3.513 -0.124 9.197 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.506 1.384 6.451 1.00 0.00 C ATOM 1257 CG LEU A 82 -5.435 2.123 5.488 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -6.625 1.252 5.120 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -5.901 3.437 6.099 1.00 0.00 C ATOM 0 H LEU A 82 -3.868 2.749 8.501 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.137 1.041 7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.578 1.950 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.252 0.420 6.011 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.880 2.346 4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.275 1.795 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.273 0.339 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.182 0.997 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.561 3.950 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.439 3.237 7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.037 4.067 6.310 1.00 0.00 H new ATOM 1271 N ILE A 83 -5.063 -1.276 8.041 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.603 -2.578 8.510 1.00 0.00 C ATOM 1273 C ILE A 83 -4.557 -3.588 7.369 1.00 0.00 C ATOM 1274 O ILE A 83 -5.593 -3.978 6.828 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.508 -3.125 9.629 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.424 -2.229 10.867 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -5.117 -4.554 9.975 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.377 -1.055 10.828 1.00 0.00 C ATOM 0 H ILE A 83 -5.860 -1.314 7.405 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.597 -2.434 8.905 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.539 -3.127 9.274 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.633 -2.827 11.754 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.405 -1.856 10.967 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.766 -4.927 10.768 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.224 -5.184 9.092 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.081 -4.576 10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.263 -0.464 11.737 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.154 -0.434 9.960 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.402 -1.420 10.759 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.351 -4.009 7.007 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.169 -4.977 5.931 1.00 0.00 C ATOM 1292 C LEU A 84 -3.486 -6.390 6.409 1.00 0.00 C ATOM 1293 O LEU A 84 -2.738 -6.972 7.195 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.736 -4.915 5.400 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.447 -5.745 4.148 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -2.172 -5.163 2.944 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.050 -5.816 3.888 1.00 0.00 C ATOM 0 H LEU A 84 -2.484 -3.695 7.443 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.859 -4.723 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.494 -3.874 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.062 -5.242 6.192 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.814 -6.758 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.955 -5.766 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.246 -5.165 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.835 -4.140 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.236 -6.410 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.442 -4.809 3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.546 -6.279 4.741 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.598 -6.937 5.929 1.00 0.00 N ATOM 1310 CA ARG A 85 -5.013 -8.282 6.307 1.00 0.00 C ATOM 1311 C ARG A 85 -5.173 -9.168 5.075 1.00 0.00 C ATOM 1312 O ARG A 85 -5.546 -8.694 4.002 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.328 -8.233 7.087 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.663 -9.533 7.799 1.00 0.00 C ATOM 1315 CD ARG A 85 -7.745 -9.331 8.848 1.00 0.00 C ATOM 1316 NE ARG A 85 -8.534 -10.541 9.062 1.00 0.00 N ATOM 1317 CZ ARG A 85 -9.725 -10.548 9.649 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -10.262 -9.414 10.079 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -10.382 -11.690 9.807 1.00 0.00 N ATOM 0 H ARG A 85 -5.228 -6.469 5.277 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.237 -8.709 6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.275 -7.430 7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.138 -7.985 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.995 -10.273 7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.766 -9.932 8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.285 -9.027 9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.403 -8.519 8.538 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.149 -11.430 8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.760 -8.534 9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.177 -9.422 10.530 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.972 -12.564 9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.297 -11.694 10.258 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.887 -10.456 5.238 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.997 -11.408 4.139 1.00 0.00 C ATOM 1335 C ARG A 86 -6.435 -11.896 3.984 1.00 0.00 C ATOM 1336 O ARG A 86 -7.199 -11.926 4.949 1.00 0.00 O ATOM 1337 CB ARG A 86 -4.066 -12.598 4.372 1.00 0.00 C ATOM 1338 CG ARG A 86 -4.569 -13.568 5.429 1.00 0.00 C ATOM 1339 CD ARG A 86 -5.439 -14.655 4.819 1.00 0.00 C ATOM 1340 NE ARG A 86 -5.764 -15.702 5.784 1.00 0.00 N ATOM 1341 CZ ARG A 86 -6.713 -15.583 6.705 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -7.428 -14.470 6.786 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -6.950 -16.581 7.548 1.00 0.00 N ATOM 0 H ARG A 86 -4.578 -10.864 6.120 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.703 -10.900 3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.934 -13.134 3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.085 -12.228 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.720 -14.023 5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.139 -13.024 6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.360 -14.212 4.441 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.923 -15.096 3.966 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.233 -16.572 5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.250 -13.701 6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.156 -14.382 7.495 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.403 -17.440 7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.679 -16.489 8.255 1.00 0.00 H new ATOM 1357 N THR A 87 -6.797 -12.276 2.763 1.00 0.00 N ATOM 1358 CA THR A 87 -8.143 -12.761 2.481 1.00 0.00 C ATOM 1359 C THR A 87 -8.111 -14.183 1.933 1.00 0.00 C ATOM 1360 O THR A 87 -7.634 -14.420 0.824 1.00 0.00 O ATOM 1361 CB THR A 87 -8.868 -11.850 1.473 1.00 0.00 C ATOM 1362 OG1 THR A 87 -8.100 -11.740 0.271 1.00 0.00 O ATOM 1363 CG2 THR A 87 -9.099 -10.466 2.063 1.00 0.00 C ATOM 0 H THR A 87 -6.177 -12.257 1.953 1.00 0.00 H new ATOM 0 HA THR A 87 -8.687 -12.751 3.425 1.00 0.00 H new ATOM 0 HB THR A 87 -9.836 -12.296 1.245 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.614 -12.577 0.116 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.612 -9.840 1.333 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.710 -10.551 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.140 -10.014 2.318 1.00 0.00 H new ATOM 1371 N GLY A 88 -8.623 -15.127 2.717 1.00 0.00 N ATOM 1372 CA GLY A 88 -8.644 -16.514 2.292 1.00 0.00 C ATOM 1373 C GLY A 88 -7.269 -17.152 2.326 1.00 0.00 C ATOM 1374 O GLY A 88 -6.255 -16.505 2.064 1.00 0.00 O ATOM 0 H GLY A 88 -9.024 -14.956 3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.319 -17.078 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.044 -16.575 1.280 1.00 0.00 H new ATOM 1378 N PRO A 89 -7.224 -18.450 2.658 1.00 0.00 N ATOM 1379 CA PRO A 89 -5.968 -19.204 2.735 1.00 0.00 C ATOM 1380 C PRO A 89 -5.344 -19.432 1.363 1.00 0.00 C ATOM 1381 O PRO A 89 -5.731 -20.349 0.639 1.00 0.00 O ATOM 1382 CB PRO A 89 -6.392 -20.536 3.358 1.00 0.00 C ATOM 1383 CG PRO A 89 -7.833 -20.678 3.005 1.00 0.00 C ATOM 1384 CD PRO A 89 -8.393 -19.283 2.983 1.00 0.00 C ATOM 0 HA PRO A 89 -5.208 -18.673 3.308 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.804 -21.364 2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.248 -20.531 4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.951 -21.161 2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.355 -21.297 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.181 -19.178 2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -8.826 -19.009 3.945 1.00 0.00 H new ATOM 1392 N SER A 90 -4.376 -18.592 1.011 1.00 0.00 N ATOM 1393 CA SER A 90 -3.700 -18.700 -0.276 1.00 0.00 C ATOM 1394 C SER A 90 -4.665 -19.176 -1.358 1.00 0.00 C ATOM 1395 O SER A 90 -4.358 -20.091 -2.121 1.00 0.00 O ATOM 1396 CB SER A 90 -2.515 -19.663 -0.175 1.00 0.00 C ATOM 1397 OG SER A 90 -2.956 -21.006 -0.074 1.00 0.00 O ATOM 0 H SER A 90 -4.042 -17.829 1.600 1.00 0.00 H new ATOM 0 HA SER A 90 -3.333 -17.711 -0.550 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.876 -19.552 -1.051 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.909 -19.409 0.695 1.00 0.00 H new ATOM 0 HG SER A 90 -3.460 -21.246 -0.880 1.00 0.00 H new ATOM 1403 N GLY A 91 -5.835 -18.546 -1.417 1.00 0.00 N ATOM 1404 CA GLY A 91 -6.828 -18.918 -2.408 1.00 0.00 C ATOM 1405 C GLY A 91 -6.578 -18.264 -3.752 1.00 0.00 C ATOM 1406 O GLY A 91 -6.058 -17.152 -3.839 1.00 0.00 O ATOM 0 H GLY A 91 -6.112 -17.785 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.828 -20.001 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.818 -18.637 -2.049 1.00 0.00 H new ATOM 1410 N PRO A 92 -6.953 -18.964 -4.834 1.00 0.00 N ATOM 1411 CA PRO A 92 -6.776 -18.464 -6.200 1.00 0.00 C ATOM 1412 C PRO A 92 -7.702 -17.294 -6.515 1.00 0.00 C ATOM 1413 O PRO A 92 -8.920 -17.397 -6.367 1.00 0.00 O ATOM 1414 CB PRO A 92 -7.129 -19.674 -7.069 1.00 0.00 C ATOM 1415 CG PRO A 92 -8.040 -20.495 -6.223 1.00 0.00 C ATOM 1416 CD PRO A 92 -7.580 -20.296 -4.805 1.00 0.00 C ATOM 0 HA PRO A 92 -5.769 -18.081 -6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.617 -19.368 -7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -6.237 -20.234 -7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.076 -20.179 -6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.992 -21.547 -6.505 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.413 -20.333 -4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.872 -21.067 -4.500 1.00 0.00 H new ATOM 1424 N SER A 93 -7.117 -16.183 -6.950 1.00 0.00 N ATOM 1425 CA SER A 93 -7.891 -14.992 -7.282 1.00 0.00 C ATOM 1426 C SER A 93 -7.341 -14.320 -8.536 1.00 0.00 C ATOM 1427 O SER A 93 -6.162 -13.974 -8.602 1.00 0.00 O ATOM 1428 CB SER A 93 -7.875 -14.006 -6.112 1.00 0.00 C ATOM 1429 OG SER A 93 -8.377 -12.740 -6.506 1.00 0.00 O ATOM 0 H SER A 93 -6.110 -16.082 -7.081 1.00 0.00 H new ATOM 0 HA SER A 93 -8.919 -15.298 -7.476 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.475 -14.400 -5.292 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.857 -13.897 -5.738 1.00 0.00 H new ATOM 0 HG SER A 93 -8.358 -12.128 -5.741 1.00 0.00 H new ATOM 1435 N SER A 94 -8.205 -14.138 -9.530 1.00 0.00 N ATOM 1436 CA SER A 94 -7.807 -13.511 -10.785 1.00 0.00 C ATOM 1437 C SER A 94 -8.639 -12.261 -11.055 1.00 0.00 C ATOM 1438 O SER A 94 -9.776 -12.347 -11.515 1.00 0.00 O ATOM 1439 CB SER A 94 -7.958 -14.499 -11.943 1.00 0.00 C ATOM 1440 OG SER A 94 -7.132 -14.135 -13.035 1.00 0.00 O ATOM 0 H SER A 94 -9.186 -14.416 -9.490 1.00 0.00 H new ATOM 0 HA SER A 94 -6.760 -13.218 -10.701 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.698 -15.502 -11.605 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.999 -14.530 -12.265 1.00 0.00 H new ATOM 0 HG SER A 94 -7.246 -14.783 -13.761 1.00 0.00 H new ATOM 1446 N GLY A 95 -8.061 -11.099 -10.766 1.00 0.00 N ATOM 1447 CA GLY A 95 -8.762 -9.848 -10.984 1.00 0.00 C ATOM 1448 C GLY A 95 -7.972 -8.648 -10.498 1.00 0.00 C ATOM 1449 O GLY A 95 -8.067 -7.562 -11.068 1.00 0.00 O ATOM 0 H GLY A 95 -7.120 -11.002 -10.385 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.973 -9.734 -12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.723 -9.879 -10.470 1.00 0.00 H new TER 1453 GLY A 95