USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 849 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 2 GLN :FLIP amide:sc= -1.12 F(o=-4.4,f=-3.9) USER MOD Set 1.2: A 99 HIS : no HE2:sc= -2.77! C(o=-3.9!,f=-10!) USER MOD Set 2.1: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00351) USER MOD Set 3.1: A 32 LYS NZ :NH3+ -172:sc= 1.15 (180deg=0) USER MOD Set 3.2: A 35 ASN : amide:sc= -2.93! C(o=-1.8!,f=-8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0521) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.369) USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0134) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= -8.03! C(o=-8!,f=-9.7!) USER MOD Single : A 13 THR OG1 : rot 21:sc= -0.285 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 22 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 24 MET CE :methyl 154:sc= -3.22! (180deg=-4.48!) USER MOD Single : A 26 THR OG1 : rot 96:sc= 0.353 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 76:sc= -2.37 USER MOD Single : A 61 ASN : amide:sc= -0.623 K(o=-0.62,f=-1.1!) USER MOD Single : A 62 SER OG : rot 36:sc= 0.00746 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.0518 F(o=-1.2,f=-0.052) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.83 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.895 X(o=-0.89,f=-0.64) USER MOD Single : A 94 HIS : no HE2:sc= -0.344 X(o=-0.34,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.707 13.298 3.622 1.00 0.00 N ATOM 2 CA MET A 1 -6.579 13.897 2.852 1.00 0.00 C ATOM 3 C MET A 1 -6.056 12.873 1.842 1.00 0.00 C ATOM 4 O MET A 1 -5.804 13.200 0.693 1.00 0.00 O ATOM 5 CB MET A 1 -5.453 14.290 3.818 1.00 0.00 C ATOM 6 CG MET A 1 -5.487 15.799 4.066 1.00 0.00 C ATOM 7 SD MET A 1 -4.760 16.160 5.683 1.00 0.00 S ATOM 8 CE MET A 1 -6.280 16.013 6.652 1.00 0.00 C ATOM 0 H1 MET A 1 -8.142 14.026 4.224 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.419 12.925 2.962 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.349 12.525 4.218 1.00 0.00 H new ATOM 0 HA MET A 1 -6.926 14.784 2.323 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.567 13.755 4.761 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.487 14.002 3.402 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.936 16.320 3.283 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.514 16.162 4.028 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.061 16.201 7.703 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.009 16.742 6.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.687 15.008 6.540 1.00 0.00 H new ATOM 20 N GLN A 2 -5.893 11.639 2.272 1.00 0.00 N ATOM 21 CA GLN A 2 -5.387 10.561 1.363 1.00 0.00 C ATOM 22 C GLN A 2 -6.552 10.002 0.544 1.00 0.00 C ATOM 23 O GLN A 2 -7.666 9.903 1.034 1.00 0.00 O ATOM 24 CB GLN A 2 -4.764 9.442 2.201 1.00 0.00 C ATOM 25 CG GLN A 2 -3.382 9.880 2.691 1.00 0.00 C ATOM 26 CD GLN A 2 -3.534 11.001 3.723 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.820 12.087 3.599 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -4.310 10.888 4.651 1.00 0.00 N flip ATOM 0 H GLN A 2 -6.092 11.333 3.224 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.634 10.971 0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.406 9.209 3.051 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.679 8.532 1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.857 9.034 3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.780 10.225 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.868 10.040 4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.403 11.641 5.332 1.00 0.00 H new ATOM 37 N ASP A 3 -6.297 9.645 -0.698 1.00 0.00 N ATOM 38 CA ASP A 3 -7.380 9.095 -1.576 1.00 0.00 C ATOM 39 C ASP A 3 -6.838 7.948 -2.435 1.00 0.00 C ATOM 40 O ASP A 3 -5.740 7.462 -2.219 1.00 0.00 O ATOM 41 CB ASP A 3 -7.902 10.215 -2.480 1.00 0.00 C ATOM 42 CG ASP A 3 -8.369 11.386 -1.614 1.00 0.00 C ATOM 43 OD1 ASP A 3 -7.524 12.160 -1.195 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.562 11.485 -1.381 1.00 0.00 O ATOM 0 H ASP A 3 -5.380 9.712 -1.140 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.189 8.710 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.118 10.542 -3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.726 9.849 -3.093 1.00 0.00 H new ATOM 49 N TRP A 4 -7.618 7.520 -3.407 1.00 0.00 N ATOM 50 CA TRP A 4 -7.209 6.398 -4.320 1.00 0.00 C ATOM 51 C TRP A 4 -5.823 6.683 -4.919 1.00 0.00 C ATOM 52 O TRP A 4 -5.021 5.781 -5.085 1.00 0.00 O ATOM 53 CB TRP A 4 -8.245 6.285 -5.449 1.00 0.00 C ATOM 54 CG TRP A 4 -7.871 5.190 -6.406 1.00 0.00 C ATOM 55 CD1 TRP A 4 -7.644 5.360 -7.728 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.681 3.771 -6.141 1.00 0.00 C ATOM 57 NE1 TRP A 4 -7.331 4.137 -8.290 1.00 0.00 N ATOM 58 CE2 TRP A 4 -7.341 3.125 -7.352 1.00 0.00 C ATOM 59 CE3 TRP A 4 -7.773 2.990 -4.979 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.098 1.751 -7.406 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -7.531 1.607 -5.028 1.00 0.00 C ATOM 62 CH2 TRP A 4 -7.197 0.988 -6.240 1.00 0.00 C ATOM 0 H TRP A 4 -8.539 7.910 -3.609 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.161 5.465 -3.758 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.230 6.085 -5.027 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.314 7.233 -5.982 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.698 6.299 -8.259 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.118 3.999 -9.278 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -8.032 3.456 -4.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.835 1.282 -8.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.603 1.017 -4.126 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.017 -0.076 -6.273 1.00 0.00 H new ATOM 73 N ALA A 5 -5.556 7.926 -5.249 1.00 0.00 N ATOM 74 CA ALA A 5 -4.238 8.303 -5.851 1.00 0.00 C ATOM 75 C ALA A 5 -3.101 7.942 -4.890 1.00 0.00 C ATOM 76 O ALA A 5 -2.119 7.322 -5.284 1.00 0.00 O ATOM 77 CB ALA A 5 -4.220 9.812 -6.128 1.00 0.00 C ATOM 0 H ALA A 5 -6.204 8.704 -5.125 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.099 7.758 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.262 10.090 -6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.023 10.064 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.363 10.355 -5.194 1.00 0.00 H new ATOM 83 N THR A 6 -3.233 8.323 -3.635 1.00 0.00 N ATOM 84 CA THR A 6 -2.175 8.016 -2.626 1.00 0.00 C ATOM 85 C THR A 6 -2.121 6.508 -2.413 1.00 0.00 C ATOM 86 O THR A 6 -1.055 5.922 -2.359 1.00 0.00 O ATOM 87 CB THR A 6 -2.505 8.715 -1.305 1.00 0.00 C ATOM 88 OG1 THR A 6 -2.677 10.106 -1.537 1.00 0.00 O ATOM 89 CG2 THR A 6 -1.363 8.498 -0.311 1.00 0.00 C ATOM 0 H THR A 6 -4.036 8.836 -3.271 1.00 0.00 H new ATOM 0 HA THR A 6 -1.208 8.372 -2.982 1.00 0.00 H new ATOM 0 HB THR A 6 -3.425 8.299 -0.893 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.890 10.555 -0.692 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.599 8.996 0.629 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.233 7.430 -0.133 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.441 8.912 -0.720 1.00 0.00 H new ATOM 97 N PHE A 7 -3.274 5.887 -2.308 1.00 0.00 N ATOM 98 CA PHE A 7 -3.344 4.404 -2.112 1.00 0.00 C ATOM 99 C PHE A 7 -2.710 3.713 -3.330 1.00 0.00 C ATOM 100 O PHE A 7 -2.160 2.631 -3.215 1.00 0.00 O ATOM 101 CB PHE A 7 -4.823 3.997 -1.965 1.00 0.00 C ATOM 102 CG PHE A 7 -4.971 2.489 -1.979 1.00 0.00 C ATOM 103 CD1 PHE A 7 -4.897 1.756 -0.790 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.183 1.833 -3.193 1.00 0.00 C ATOM 105 CE1 PHE A 7 -5.034 0.361 -0.820 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.321 0.442 -3.228 1.00 0.00 C ATOM 107 CZ PHE A 7 -5.247 -0.296 -2.040 1.00 0.00 C ATOM 0 H PHE A 7 -4.181 6.352 -2.351 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.802 4.104 -1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.224 4.397 -1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.407 4.432 -2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.735 2.264 0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.241 2.402 -4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.975 -0.207 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.484 -0.062 -4.169 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.354 -1.370 -2.064 1.00 0.00 H new ATOM 117 N LYS A 8 -2.791 4.337 -4.487 1.00 0.00 N ATOM 118 CA LYS A 8 -2.205 3.743 -5.727 1.00 0.00 C ATOM 119 C LYS A 8 -0.693 3.612 -5.554 1.00 0.00 C ATOM 120 O LYS A 8 -0.125 2.556 -5.784 1.00 0.00 O ATOM 121 CB LYS A 8 -2.510 4.654 -6.921 1.00 0.00 C ATOM 122 CG LYS A 8 -2.310 3.877 -8.229 1.00 0.00 C ATOM 123 CD LYS A 8 -3.433 4.222 -9.214 1.00 0.00 C ATOM 124 CE LYS A 8 -3.884 2.957 -9.947 1.00 0.00 C ATOM 125 NZ LYS A 8 -2.709 2.312 -10.601 1.00 0.00 N ATOM 0 H LYS A 8 -3.244 5.241 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.638 2.759 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.534 5.021 -6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.857 5.526 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.342 4.124 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.305 2.805 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.274 4.664 -8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.085 4.965 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.348 2.264 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.637 3.207 -10.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.034 1.715 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.068 3.046 -10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.204 1.725 -9.907 1.00 0.00 H new ATOM 139 N LYS A 9 -0.043 4.676 -5.141 1.00 0.00 N ATOM 140 CA LYS A 9 1.440 4.636 -4.938 1.00 0.00 C ATOM 141 C LYS A 9 1.773 3.991 -3.585 1.00 0.00 C ATOM 142 O LYS A 9 2.902 3.590 -3.352 1.00 0.00 O ATOM 143 CB LYS A 9 1.994 6.061 -4.970 1.00 0.00 C ATOM 144 CG LYS A 9 1.872 6.619 -6.388 1.00 0.00 C ATOM 145 CD LYS A 9 3.031 7.578 -6.660 1.00 0.00 C ATOM 146 CE LYS A 9 2.724 8.936 -6.028 1.00 0.00 C ATOM 147 NZ LYS A 9 1.828 9.710 -6.932 1.00 0.00 N ATOM 0 H LYS A 9 -0.480 5.575 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 9 1.892 4.044 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.446 6.692 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.037 6.065 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.882 5.805 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.921 7.139 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.956 7.174 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.181 7.690 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.249 8.799 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.649 9.487 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.132 10.704 -6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.875 9.312 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.850 9.655 -6.582 1.00 0.00 H new ATOM 161 N LYS A 10 0.804 3.907 -2.694 1.00 0.00 N ATOM 162 CA LYS A 10 1.042 3.310 -1.344 1.00 0.00 C ATOM 163 C LYS A 10 0.913 1.781 -1.365 1.00 0.00 C ATOM 164 O LYS A 10 1.796 1.085 -0.886 1.00 0.00 O ATOM 165 CB LYS A 10 0.026 3.891 -0.354 1.00 0.00 C ATOM 166 CG LYS A 10 0.659 5.051 0.422 1.00 0.00 C ATOM 167 CD LYS A 10 -0.092 5.265 1.742 1.00 0.00 C ATOM 168 CE LYS A 10 0.906 5.577 2.862 1.00 0.00 C ATOM 169 NZ LYS A 10 0.163 5.928 4.106 1.00 0.00 N ATOM 0 H LYS A 10 -0.150 4.232 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 10 2.060 3.555 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.858 4.239 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.305 3.116 0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.709 4.837 0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.627 5.961 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.803 6.084 1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.667 4.374 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.549 4.716 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.554 6.403 2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.840 6.140 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.433 6.762 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.437 5.127 4.390 1.00 0.00 H new ATOM 183 N HIS A 11 -0.195 1.254 -1.862 1.00 0.00 N ATOM 184 CA HIS A 11 -0.395 -0.238 -1.847 1.00 0.00 C ATOM 185 C HIS A 11 -0.639 -0.830 -3.243 1.00 0.00 C ATOM 186 O HIS A 11 -1.031 -1.980 -3.346 1.00 0.00 O ATOM 187 CB HIS A 11 -1.590 -0.569 -0.948 1.00 0.00 C ATOM 188 CG HIS A 11 -1.371 0.031 0.412 1.00 0.00 C ATOM 189 ND1 HIS A 11 -1.973 1.216 0.800 1.00 0.00 N ATOM 190 CD2 HIS A 11 -0.611 -0.373 1.483 1.00 0.00 C ATOM 191 CE1 HIS A 11 -1.568 1.484 2.055 1.00 0.00 C ATOM 192 NE2 HIS A 11 -0.737 0.547 2.520 1.00 0.00 N ATOM 0 H HIS A 11 -0.960 1.790 -2.273 1.00 0.00 H new ATOM 0 HA HIS A 11 0.525 -0.683 -1.468 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.508 -0.179 -1.386 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.710 -1.649 -0.866 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -2.608 1.782 0.237 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.008 -1.268 1.515 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.877 2.352 2.618 1.00 0.00 H new ATOM 200 N LEU A 12 -0.408 -0.089 -4.309 1.00 0.00 N ATOM 201 CA LEU A 12 -0.629 -0.672 -5.680 1.00 0.00 C ATOM 202 C LEU A 12 0.642 -0.551 -6.518 1.00 0.00 C ATOM 203 O LEU A 12 1.227 0.514 -6.621 1.00 0.00 O ATOM 204 CB LEU A 12 -1.779 0.037 -6.400 1.00 0.00 C ATOM 205 CG LEU A 12 -3.046 0.007 -5.539 1.00 0.00 C ATOM 206 CD1 LEU A 12 -4.177 0.707 -6.293 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.451 -1.446 -5.255 1.00 0.00 C ATOM 0 H LEU A 12 -0.082 0.877 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.887 -1.724 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.501 1.069 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.971 -0.447 -7.358 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.854 0.516 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.083 0.690 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.895 1.740 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.361 0.190 -7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.352 -1.459 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.644 -1.960 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.644 -1.951 -4.724 1.00 0.00 H new ATOM 219 N THR A 13 1.055 -1.648 -7.117 1.00 0.00 N ATOM 220 CA THR A 13 2.284 -1.643 -7.971 1.00 0.00 C ATOM 221 C THR A 13 2.093 -2.620 -9.133 1.00 0.00 C ATOM 222 O THR A 13 1.254 -3.504 -9.074 1.00 0.00 O ATOM 223 CB THR A 13 3.493 -2.062 -7.130 1.00 0.00 C ATOM 224 OG1 THR A 13 3.149 -3.189 -6.336 1.00 0.00 O ATOM 225 CG2 THR A 13 3.911 -0.902 -6.223 1.00 0.00 C ATOM 0 H THR A 13 0.587 -2.552 -7.048 1.00 0.00 H new ATOM 0 HA THR A 13 2.455 -0.641 -8.365 1.00 0.00 H new ATOM 0 HB THR A 13 4.322 -2.322 -7.788 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.375 -3.643 -6.730 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.772 -1.200 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.176 -0.039 -6.834 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.084 -0.639 -5.564 1.00 0.00 H new ATOM 233 N ASP A 14 2.868 -2.455 -10.184 1.00 0.00 N ATOM 234 CA ASP A 14 2.758 -3.352 -11.377 1.00 0.00 C ATOM 235 C ASP A 14 4.044 -4.182 -11.518 1.00 0.00 C ATOM 236 O ASP A 14 4.384 -4.631 -12.603 1.00 0.00 O ATOM 237 CB ASP A 14 2.546 -2.490 -12.633 1.00 0.00 C ATOM 238 CG ASP A 14 1.124 -2.688 -13.167 1.00 0.00 C ATOM 239 OD1 ASP A 14 0.232 -2.009 -12.686 1.00 0.00 O ATOM 240 OD2 ASP A 14 0.954 -3.512 -14.049 1.00 0.00 O ATOM 0 H ASP A 14 3.579 -1.728 -10.263 1.00 0.00 H new ATOM 0 HA ASP A 14 1.913 -4.030 -11.255 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.712 -1.439 -12.396 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.273 -2.762 -13.399 1.00 0.00 H new ATOM 245 N THR A 15 4.753 -4.385 -10.425 1.00 0.00 N ATOM 246 CA THR A 15 6.020 -5.181 -10.462 1.00 0.00 C ATOM 247 C THR A 15 6.301 -5.759 -9.074 1.00 0.00 C ATOM 248 O THR A 15 6.072 -5.104 -8.070 1.00 0.00 O ATOM 249 CB THR A 15 7.179 -4.269 -10.875 1.00 0.00 C ATOM 250 OG1 THR A 15 6.805 -3.516 -12.019 1.00 0.00 O ATOM 251 CG2 THR A 15 8.411 -5.116 -11.199 1.00 0.00 C ATOM 0 H THR A 15 4.501 -4.028 -9.503 1.00 0.00 H new ATOM 0 HA THR A 15 5.918 -5.994 -11.181 1.00 0.00 H new ATOM 0 HB THR A 15 7.415 -3.591 -10.055 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.546 -2.931 -12.282 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.234 -4.464 -11.493 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.699 -5.690 -10.319 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.179 -5.798 -12.017 1.00 0.00 H new ATOM 259 N TRP A 16 6.806 -6.974 -9.020 1.00 0.00 N ATOM 260 CA TRP A 16 7.130 -7.618 -7.709 1.00 0.00 C ATOM 261 C TRP A 16 8.306 -6.874 -7.080 1.00 0.00 C ATOM 262 O TRP A 16 8.327 -6.628 -5.885 1.00 0.00 O ATOM 263 CB TRP A 16 7.509 -9.087 -7.944 1.00 0.00 C ATOM 264 CG TRP A 16 7.657 -9.836 -6.642 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.381 -9.355 -5.400 1.00 0.00 C ATOM 266 CD2 TRP A 16 8.114 -11.208 -6.446 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.644 -10.342 -4.466 1.00 0.00 N ATOM 268 CE2 TRP A 16 8.097 -11.503 -5.061 1.00 0.00 C ATOM 269 CE3 TRP A 16 8.541 -12.216 -7.331 1.00 0.00 C ATOM 270 CZ2 TRP A 16 8.486 -12.752 -4.574 1.00 0.00 C ATOM 271 CZ3 TRP A 16 8.933 -13.474 -6.843 1.00 0.00 C ATOM 272 CH2 TRP A 16 8.905 -13.740 -5.468 1.00 0.00 C ATOM 0 H TRP A 16 7.008 -7.549 -9.838 1.00 0.00 H new ATOM 0 HA TRP A 16 6.268 -7.576 -7.044 1.00 0.00 H new ATOM 0 HB2 TRP A 16 6.746 -9.567 -8.556 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.444 -9.138 -8.502 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.016 -8.363 -5.178 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.518 -10.226 -3.460 1.00 0.00 H new ATOM 0 HE3 TRP A 16 8.567 -12.021 -8.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 8.463 -12.953 -3.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 9.258 -14.240 -7.532 1.00 0.00 H new ATOM 0 HH2 TRP A 16 9.207 -14.709 -5.099 1.00 0.00 H new ATOM 283 N ASP A 17 9.270 -6.507 -7.894 1.00 0.00 N ATOM 284 CA ASP A 17 10.463 -5.758 -7.396 1.00 0.00 C ATOM 285 C ASP A 17 10.231 -4.264 -7.633 1.00 0.00 C ATOM 286 O ASP A 17 10.238 -3.806 -8.764 1.00 0.00 O ATOM 287 CB ASP A 17 11.712 -6.223 -8.160 1.00 0.00 C ATOM 288 CG ASP A 17 12.829 -6.567 -7.171 1.00 0.00 C ATOM 289 OD1 ASP A 17 12.758 -7.627 -6.574 1.00 0.00 O ATOM 290 OD2 ASP A 17 13.735 -5.763 -7.030 1.00 0.00 O ATOM 0 H ASP A 17 9.277 -6.699 -8.896 1.00 0.00 H new ATOM 0 HA ASP A 17 10.611 -5.944 -6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.473 -7.094 -8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.045 -5.440 -8.841 1.00 0.00 H new ATOM 295 N VAL A 18 10.009 -3.513 -6.573 1.00 0.00 N ATOM 296 CA VAL A 18 9.752 -2.047 -6.710 1.00 0.00 C ATOM 297 C VAL A 18 11.007 -1.257 -6.334 1.00 0.00 C ATOM 298 O VAL A 18 11.893 -1.761 -5.665 1.00 0.00 O ATOM 299 CB VAL A 18 8.599 -1.653 -5.782 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.282 -0.163 -5.945 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.361 -2.472 -6.144 1.00 0.00 C ATOM 0 H VAL A 18 9.996 -3.861 -5.614 1.00 0.00 H new ATOM 0 HA VAL A 18 9.490 -1.820 -7.743 1.00 0.00 H new ATOM 0 HB VAL A 18 8.887 -1.848 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.461 0.109 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.163 0.426 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.996 0.037 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.537 -2.196 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.082 -2.272 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.579 -3.533 -6.026 1.00 0.00 H new ATOM 311 N ASP A 19 11.062 -0.016 -6.764 1.00 0.00 N ATOM 312 CA ASP A 19 12.231 0.864 -6.452 1.00 0.00 C ATOM 313 C ASP A 19 11.891 1.726 -5.228 1.00 0.00 C ATOM 314 O ASP A 19 11.301 2.789 -5.345 1.00 0.00 O ATOM 315 CB ASP A 19 12.539 1.758 -7.659 1.00 0.00 C ATOM 316 CG ASP A 19 12.723 0.886 -8.905 1.00 0.00 C ATOM 317 OD1 ASP A 19 13.708 0.169 -8.959 1.00 0.00 O ATOM 318 OD2 ASP A 19 11.877 0.952 -9.781 1.00 0.00 O ATOM 0 H ASP A 19 10.335 0.428 -7.325 1.00 0.00 H new ATOM 0 HA ASP A 19 13.109 0.255 -6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.727 2.469 -7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.441 2.341 -7.473 1.00 0.00 H new ATOM 323 N CYS A 20 12.249 1.247 -4.058 1.00 0.00 N ATOM 324 CA CYS A 20 11.958 1.983 -2.788 1.00 0.00 C ATOM 325 C CYS A 20 12.726 3.308 -2.743 1.00 0.00 C ATOM 326 O CYS A 20 12.172 4.340 -2.402 1.00 0.00 O ATOM 327 CB CYS A 20 12.391 1.114 -1.605 1.00 0.00 C ATOM 328 SG CYS A 20 11.520 -0.473 -1.673 1.00 0.00 S ATOM 0 H CYS A 20 12.739 0.362 -3.930 1.00 0.00 H new ATOM 0 HA CYS A 20 10.890 2.196 -2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 20 13.468 0.951 -1.634 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.171 1.622 -0.666 1.00 0.00 H new ATOM 333 N ASP A 21 13.999 3.269 -3.064 1.00 0.00 N ATOM 334 CA ASP A 21 14.852 4.503 -3.030 1.00 0.00 C ATOM 335 C ASP A 21 14.384 5.531 -4.073 1.00 0.00 C ATOM 336 O ASP A 21 14.734 6.697 -3.983 1.00 0.00 O ATOM 337 CB ASP A 21 16.307 4.110 -3.317 1.00 0.00 C ATOM 338 CG ASP A 21 17.063 3.941 -1.996 1.00 0.00 C ATOM 339 OD1 ASP A 21 17.215 4.926 -1.292 1.00 0.00 O ATOM 340 OD2 ASP A 21 17.475 2.829 -1.711 1.00 0.00 O ATOM 0 H ASP A 21 14.490 2.423 -3.352 1.00 0.00 H new ATOM 0 HA ASP A 21 14.768 4.958 -2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.338 3.181 -3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.787 4.875 -3.927 1.00 0.00 H new ATOM 345 N ASN A 22 13.612 5.110 -5.057 1.00 0.00 N ATOM 346 CA ASN A 22 13.130 6.061 -6.114 1.00 0.00 C ATOM 347 C ASN A 22 11.951 6.887 -5.589 1.00 0.00 C ATOM 348 O ASN A 22 11.850 8.071 -5.863 1.00 0.00 O ATOM 349 CB ASN A 22 12.686 5.270 -7.346 1.00 0.00 C ATOM 350 CG ASN A 22 12.900 6.117 -8.603 1.00 0.00 C ATOM 351 OD1 ASN A 22 13.631 5.731 -9.493 1.00 0.00 O ATOM 352 ND2 ASN A 22 12.287 7.265 -8.715 1.00 0.00 N ATOM 0 H ASN A 22 13.296 4.147 -5.171 1.00 0.00 H new ATOM 0 HA ASN A 22 13.944 6.735 -6.380 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.253 4.342 -7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.635 4.995 -7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.422 7.836 -9.549 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.673 7.590 -7.968 1.00 0.00 H new ATOM 359 N LEU A 23 11.061 6.262 -4.850 1.00 0.00 N ATOM 360 CA LEU A 23 9.864 6.981 -4.303 1.00 0.00 C ATOM 361 C LEU A 23 10.155 7.517 -2.898 1.00 0.00 C ATOM 362 O LEU A 23 9.532 8.466 -2.454 1.00 0.00 O ATOM 363 CB LEU A 23 8.686 6.003 -4.229 1.00 0.00 C ATOM 364 CG LEU A 23 8.011 5.873 -5.601 1.00 0.00 C ATOM 365 CD1 LEU A 23 7.444 7.227 -6.032 1.00 0.00 C ATOM 366 CD2 LEU A 23 9.028 5.388 -6.643 1.00 0.00 C ATOM 0 H LEU A 23 11.115 5.274 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 23 9.624 7.818 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.036 5.026 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.962 6.351 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 23 7.200 5.149 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.966 7.128 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.709 7.563 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.252 7.956 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.540 5.299 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.847 6.104 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.421 4.416 -6.343 1.00 0.00 H new ATOM 378 N MET A 24 11.082 6.898 -2.202 1.00 0.00 N ATOM 379 CA MET A 24 11.430 7.320 -0.809 1.00 0.00 C ATOM 380 C MET A 24 11.680 8.844 -0.693 1.00 0.00 C ATOM 381 O MET A 24 11.170 9.443 0.238 1.00 0.00 O ATOM 382 CB MET A 24 12.672 6.541 -0.349 1.00 0.00 C ATOM 383 CG MET A 24 13.016 6.900 1.099 1.00 0.00 C ATOM 384 SD MET A 24 14.654 6.248 1.508 1.00 0.00 S ATOM 385 CE MET A 24 15.593 7.243 0.323 1.00 0.00 C ATOM 0 H MET A 24 11.620 6.104 -2.549 1.00 0.00 H new ATOM 0 HA MET A 24 10.579 7.095 -0.166 1.00 0.00 H new ATOM 0 HB2 MET A 24 12.489 5.470 -0.432 1.00 0.00 H new ATOM 0 HB3 MET A 24 13.516 6.772 -0.999 1.00 0.00 H new ATOM 0 HG2 MET A 24 13.000 7.982 1.231 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.268 6.486 1.775 1.00 0.00 H new ATOM 0 HE1 MET A 24 16.615 7.367 0.681 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.606 6.741 -0.644 1.00 0.00 H new ATOM 0 HE3 MET A 24 15.125 8.222 0.218 1.00 0.00 H new ATOM 395 N PRO A 25 12.472 9.436 -1.586 1.00 0.00 N ATOM 396 CA PRO A 25 12.793 10.880 -1.497 1.00 0.00 C ATOM 397 C PRO A 25 11.642 11.780 -1.977 1.00 0.00 C ATOM 398 O PRO A 25 11.768 12.994 -1.937 1.00 0.00 O ATOM 399 CB PRO A 25 14.006 11.043 -2.413 1.00 0.00 C ATOM 400 CG PRO A 25 13.972 9.856 -3.401 1.00 0.00 C ATOM 401 CD PRO A 25 13.116 8.760 -2.745 1.00 0.00 C ATOM 0 HA PRO A 25 12.975 11.180 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.965 11.993 -2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.931 11.041 -1.836 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.545 10.160 -4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.979 9.492 -3.603 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.373 8.368 -3.439 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.728 7.917 -2.423 1.00 0.00 H new ATOM 409 N THR A 26 10.540 11.213 -2.426 1.00 0.00 N ATOM 410 CA THR A 26 9.396 12.059 -2.908 1.00 0.00 C ATOM 411 C THR A 26 8.594 12.567 -1.708 1.00 0.00 C ATOM 412 O THR A 26 8.928 12.297 -0.566 1.00 0.00 O ATOM 413 CB THR A 26 8.464 11.253 -3.828 1.00 0.00 C ATOM 414 OG1 THR A 26 9.165 10.160 -4.409 1.00 0.00 O ATOM 415 CG2 THR A 26 7.933 12.162 -4.939 1.00 0.00 C ATOM 0 H THR A 26 10.385 10.206 -2.479 1.00 0.00 H new ATOM 0 HA THR A 26 9.805 12.898 -3.471 1.00 0.00 H new ATOM 0 HB THR A 26 7.634 10.867 -3.236 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.011 9.352 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.272 11.591 -5.591 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.380 12.991 -4.498 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.768 12.552 -5.520 1.00 0.00 H new ATOM 423 N SER A 27 7.534 13.291 -1.979 1.00 0.00 N ATOM 424 CA SER A 27 6.661 13.837 -0.890 1.00 0.00 C ATOM 425 C SER A 27 5.673 12.759 -0.414 1.00 0.00 C ATOM 426 O SER A 27 5.033 12.919 0.613 1.00 0.00 O ATOM 427 CB SER A 27 5.883 15.042 -1.419 1.00 0.00 C ATOM 428 OG SER A 27 6.624 16.227 -1.161 1.00 0.00 O ATOM 0 H SER A 27 7.232 13.530 -2.923 1.00 0.00 H new ATOM 0 HA SER A 27 7.287 14.142 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.707 14.935 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.906 15.098 -0.939 1.00 0.00 H new ATOM 0 HG SER A 27 6.130 17.002 -1.500 1.00 0.00 H new ATOM 434 N LEU A 28 5.550 11.669 -1.151 1.00 0.00 N ATOM 435 CA LEU A 28 4.615 10.569 -0.757 1.00 0.00 C ATOM 436 C LEU A 28 5.277 9.744 0.341 1.00 0.00 C ATOM 437 O LEU A 28 4.646 9.369 1.317 1.00 0.00 O ATOM 438 CB LEU A 28 4.342 9.680 -1.975 1.00 0.00 C ATOM 439 CG LEU A 28 3.332 8.588 -1.609 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.913 9.140 -1.744 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.507 7.400 -2.558 1.00 0.00 C ATOM 0 H LEU A 28 6.065 11.500 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 28 3.673 10.982 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.956 10.283 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.271 9.227 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 28 3.500 8.265 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.194 8.363 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.788 9.990 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.744 9.461 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.790 6.620 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.337 7.726 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.519 7.007 -2.466 1.00 0.00 H new ATOM 453 N PHE A 29 6.551 9.472 0.175 1.00 0.00 N ATOM 454 CA PHE A 29 7.312 8.679 1.183 1.00 0.00 C ATOM 455 C PHE A 29 8.088 9.640 2.081 1.00 0.00 C ATOM 456 O PHE A 29 8.144 9.462 3.286 1.00 0.00 O ATOM 457 CB PHE A 29 8.290 7.751 0.456 1.00 0.00 C ATOM 458 CG PHE A 29 7.607 6.449 0.086 1.00 0.00 C ATOM 459 CD1 PHE A 29 6.324 6.451 -0.481 1.00 0.00 C ATOM 460 CD2 PHE A 29 8.269 5.235 0.306 1.00 0.00 C ATOM 461 CE1 PHE A 29 5.706 5.243 -0.824 1.00 0.00 C ATOM 462 CE2 PHE A 29 7.650 4.027 -0.039 1.00 0.00 C ATOM 463 CZ PHE A 29 6.370 4.031 -0.604 1.00 0.00 C ATOM 0 H PHE A 29 7.100 9.773 -0.630 1.00 0.00 H new ATOM 0 HA PHE A 29 6.628 8.083 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.666 8.240 -0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.151 7.549 1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.812 7.386 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.257 5.230 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.717 5.246 -1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.161 3.091 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.894 3.099 -0.870 1.00 0.00 H new ATOM 473 N ASP A 30 8.682 10.662 1.491 1.00 0.00 N ATOM 474 CA ASP A 30 9.471 11.675 2.279 1.00 0.00 C ATOM 475 C ASP A 30 10.436 10.956 3.247 1.00 0.00 C ATOM 476 O ASP A 30 10.612 11.357 4.390 1.00 0.00 O ATOM 477 CB ASP A 30 8.498 12.569 3.062 1.00 0.00 C ATOM 478 CG ASP A 30 9.016 14.010 3.069 1.00 0.00 C ATOM 479 OD1 ASP A 30 9.067 14.604 2.005 1.00 0.00 O ATOM 480 OD2 ASP A 30 9.353 14.492 4.137 1.00 0.00 O ATOM 0 H ASP A 30 8.652 10.838 0.487 1.00 0.00 H new ATOM 0 HA ASP A 30 10.061 12.291 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.508 12.530 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.395 12.204 4.084 1.00 0.00 H new ATOM 485 N CYS A 31 11.054 9.888 2.783 1.00 0.00 N ATOM 486 CA CYS A 31 12.003 9.103 3.637 1.00 0.00 C ATOM 487 C CYS A 31 11.222 8.507 4.821 1.00 0.00 C ATOM 488 O CYS A 31 11.693 8.473 5.950 1.00 0.00 O ATOM 489 CB CYS A 31 13.130 10.023 4.132 1.00 0.00 C ATOM 490 SG CYS A 31 14.632 9.707 3.169 1.00 0.00 S ATOM 0 H CYS A 31 10.937 9.526 1.837 1.00 0.00 H new ATOM 0 HA CYS A 31 12.452 8.293 3.062 1.00 0.00 H new ATOM 0 HB2 CYS A 31 12.833 11.067 4.031 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.320 9.847 5.191 1.00 0.00 H new ATOM 495 N LYS A 32 10.021 8.037 4.551 1.00 0.00 N ATOM 496 CA LYS A 32 9.156 7.437 5.619 1.00 0.00 C ATOM 497 C LYS A 32 9.882 6.263 6.284 1.00 0.00 C ATOM 498 O LYS A 32 11.040 6.000 6.009 1.00 0.00 O ATOM 499 CB LYS A 32 7.840 6.941 4.996 1.00 0.00 C ATOM 500 CG LYS A 32 6.686 7.856 5.423 1.00 0.00 C ATOM 501 CD LYS A 32 5.364 7.290 4.896 1.00 0.00 C ATOM 502 CE LYS A 32 4.945 6.094 5.752 1.00 0.00 C ATOM 503 NZ LYS A 32 4.217 5.107 4.905 1.00 0.00 N ATOM 0 H LYS A 32 9.601 8.045 3.622 1.00 0.00 H new ATOM 0 HA LYS A 32 8.941 8.196 6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.923 6.929 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.641 5.917 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.653 7.934 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.843 8.863 5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.591 8.058 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.476 6.985 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.823 5.628 6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.308 6.426 6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.815 4.361 5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.451 5.588 4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.877 4.682 4.223 1.00 0.00 H new ATOM 517 N ASP A 33 9.190 5.565 7.160 1.00 0.00 N ATOM 518 CA ASP A 33 9.791 4.396 7.877 1.00 0.00 C ATOM 519 C ASP A 33 9.740 3.158 6.979 1.00 0.00 C ATOM 520 O ASP A 33 10.756 2.536 6.719 1.00 0.00 O ATOM 521 CB ASP A 33 9.006 4.126 9.163 1.00 0.00 C ATOM 522 CG ASP A 33 9.534 5.025 10.282 1.00 0.00 C ATOM 523 OD1 ASP A 33 10.728 4.987 10.532 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.737 5.738 10.868 1.00 0.00 O ATOM 0 H ASP A 33 8.221 5.762 7.409 1.00 0.00 H new ATOM 0 HA ASP A 33 10.829 4.620 8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.945 4.315 9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.103 3.078 9.448 1.00 0.00 H new ATOM 529 N LYS A 34 8.561 2.804 6.511 1.00 0.00 N ATOM 530 CA LYS A 34 8.413 1.606 5.624 1.00 0.00 C ATOM 531 C LYS A 34 7.080 1.672 4.871 1.00 0.00 C ATOM 532 O LYS A 34 6.150 2.332 5.305 1.00 0.00 O ATOM 533 CB LYS A 34 8.455 0.330 6.472 1.00 0.00 C ATOM 534 CG LYS A 34 7.366 0.389 7.548 1.00 0.00 C ATOM 535 CD LYS A 34 7.507 -0.810 8.494 1.00 0.00 C ATOM 536 CE LYS A 34 6.120 -1.360 8.840 1.00 0.00 C ATOM 537 NZ LYS A 34 6.228 -2.295 9.996 1.00 0.00 N ATOM 0 H LYS A 34 7.691 3.299 6.709 1.00 0.00 H new ATOM 0 HA LYS A 34 9.231 1.595 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.307 -0.544 5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.435 0.223 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.447 1.319 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.381 0.383 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.110 -1.587 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.027 -0.509 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.443 -0.541 9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.697 -1.877 7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.286 -2.668 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.860 -3.083 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.614 -1.788 10.818 1.00 0.00 H new ATOM 551 N ASN A 35 6.992 0.981 3.752 1.00 0.00 N ATOM 552 CA ASN A 35 5.729 0.970 2.945 1.00 0.00 C ATOM 553 C ASN A 35 5.457 -0.454 2.451 1.00 0.00 C ATOM 554 O ASN A 35 6.346 -1.287 2.437 1.00 0.00 O ATOM 555 CB ASN A 35 5.879 1.910 1.746 1.00 0.00 C ATOM 556 CG ASN A 35 5.399 3.311 2.135 1.00 0.00 C ATOM 557 OD1 ASN A 35 5.976 3.945 2.997 1.00 0.00 O ATOM 558 ND2 ASN A 35 4.359 3.827 1.534 1.00 0.00 N ATOM 0 H ASN A 35 7.750 0.420 3.363 1.00 0.00 H new ATOM 0 HA ASN A 35 4.897 1.306 3.564 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.920 1.946 1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.299 1.536 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.033 4.760 1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.873 3.297 0.810 1.00 0.00 H new ATOM 565 N THR A 36 4.232 -0.732 2.054 1.00 0.00 N ATOM 566 CA THR A 36 3.873 -2.100 1.559 1.00 0.00 C ATOM 567 C THR A 36 3.135 -1.982 0.224 1.00 0.00 C ATOM 568 O THR A 36 2.117 -1.315 0.132 1.00 0.00 O ATOM 569 CB THR A 36 2.963 -2.791 2.579 1.00 0.00 C ATOM 570 OG1 THR A 36 3.583 -2.765 3.856 1.00 0.00 O ATOM 571 CG2 THR A 36 2.723 -4.242 2.154 1.00 0.00 C ATOM 0 H THR A 36 3.462 -0.062 2.053 1.00 0.00 H new ATOM 0 HA THR A 36 4.782 -2.686 1.425 1.00 0.00 H new ATOM 0 HB THR A 36 2.008 -2.268 2.627 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.002 -3.205 4.511 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.075 -4.732 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.247 -4.260 1.174 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.676 -4.769 2.104 1.00 0.00 H new ATOM 579 N PHE A 37 3.645 -2.628 -0.804 1.00 0.00 N ATOM 580 CA PHE A 37 2.992 -2.576 -2.150 1.00 0.00 C ATOM 581 C PHE A 37 2.260 -3.895 -2.413 1.00 0.00 C ATOM 582 O PHE A 37 2.662 -4.940 -1.926 1.00 0.00 O ATOM 583 CB PHE A 37 4.052 -2.373 -3.238 1.00 0.00 C ATOM 584 CG PHE A 37 4.826 -1.094 -2.997 1.00 0.00 C ATOM 585 CD1 PHE A 37 4.152 0.100 -2.701 1.00 0.00 C ATOM 586 CD2 PHE A 37 6.224 -1.102 -3.081 1.00 0.00 C ATOM 587 CE1 PHE A 37 4.876 1.279 -2.487 1.00 0.00 C ATOM 588 CE2 PHE A 37 6.947 0.079 -2.870 1.00 0.00 C ATOM 589 CZ PHE A 37 6.274 1.269 -2.573 1.00 0.00 C ATOM 0 H PHE A 37 4.493 -3.193 -0.764 1.00 0.00 H new ATOM 0 HA PHE A 37 2.286 -1.746 -2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.736 -3.222 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.574 -2.336 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.074 0.110 -2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.745 -2.020 -3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.356 2.197 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.025 0.071 -2.937 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.832 2.179 -2.410 1.00 0.00 H new ATOM 599 N ILE A 38 1.201 -3.845 -3.194 1.00 0.00 N ATOM 600 CA ILE A 38 0.425 -5.080 -3.528 1.00 0.00 C ATOM 601 C ILE A 38 0.687 -5.444 -4.988 1.00 0.00 C ATOM 602 O ILE A 38 0.726 -4.579 -5.853 1.00 0.00 O ATOM 603 CB ILE A 38 -1.075 -4.828 -3.325 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.334 -4.359 -1.882 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.859 -6.116 -3.598 1.00 0.00 C ATOM 606 CD1 ILE A 38 -0.874 -5.426 -0.881 1.00 0.00 C ATOM 0 H ILE A 38 0.841 -2.989 -3.617 1.00 0.00 H new ATOM 0 HA ILE A 38 0.737 -5.896 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.404 -4.054 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.804 -3.425 -1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.396 -4.156 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.923 -5.932 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.683 -6.438 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.529 -6.896 -2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.064 -5.078 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.423 -6.351 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.193 -5.608 -1.008 1.00 0.00 H new ATOM 618 N TYR A 39 0.865 -6.718 -5.255 1.00 0.00 N ATOM 619 CA TYR A 39 1.126 -7.182 -6.647 1.00 0.00 C ATOM 620 C TYR A 39 -0.191 -7.679 -7.259 1.00 0.00 C ATOM 621 O TYR A 39 -0.455 -8.872 -7.330 1.00 0.00 O ATOM 622 CB TYR A 39 2.170 -8.306 -6.617 1.00 0.00 C ATOM 623 CG TYR A 39 2.615 -8.622 -8.022 1.00 0.00 C ATOM 624 CD1 TYR A 39 3.426 -7.719 -8.719 1.00 0.00 C ATOM 625 CD2 TYR A 39 2.218 -9.819 -8.627 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.841 -8.014 -10.023 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.633 -10.115 -9.932 1.00 0.00 C ATOM 628 CZ TYR A 39 3.444 -9.212 -10.629 1.00 0.00 C ATOM 629 OH TYR A 39 3.854 -9.502 -11.915 1.00 0.00 O ATOM 0 H TYR A 39 0.839 -7.460 -4.556 1.00 0.00 H new ATOM 0 HA TYR A 39 1.513 -6.365 -7.256 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.026 -8.005 -6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.748 -9.196 -6.150 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.732 -6.795 -8.251 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.592 -10.515 -8.088 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.467 -7.318 -10.561 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.327 -11.039 -10.400 1.00 0.00 H new ATOM 0 HH TYR A 39 3.492 -10.372 -12.185 1.00 0.00 H new ATOM 639 N SER A 40 -1.024 -6.753 -7.688 1.00 0.00 N ATOM 640 CA SER A 40 -2.341 -7.121 -8.295 1.00 0.00 C ATOM 641 C SER A 40 -2.844 -5.973 -9.172 1.00 0.00 C ATOM 642 O SER A 40 -2.228 -4.922 -9.245 1.00 0.00 O ATOM 643 CB SER A 40 -3.355 -7.395 -7.184 1.00 0.00 C ATOM 644 OG SER A 40 -4.337 -8.307 -7.661 1.00 0.00 O ATOM 0 H SER A 40 -0.842 -5.751 -7.641 1.00 0.00 H new ATOM 0 HA SER A 40 -2.219 -8.015 -8.907 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.852 -7.808 -6.310 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.828 -6.465 -6.869 1.00 0.00 H new ATOM 0 HG SER A 40 -4.988 -8.487 -6.951 1.00 0.00 H new ATOM 650 N LEU A 41 -3.958 -6.182 -9.839 1.00 0.00 N ATOM 651 CA LEU A 41 -4.535 -5.129 -10.731 1.00 0.00 C ATOM 652 C LEU A 41 -5.550 -4.278 -9.948 1.00 0.00 C ATOM 653 O LEU A 41 -6.113 -4.751 -8.977 1.00 0.00 O ATOM 654 CB LEU A 41 -5.238 -5.797 -11.911 1.00 0.00 C ATOM 655 CG LEU A 41 -4.217 -6.584 -12.730 1.00 0.00 C ATOM 656 CD1 LEU A 41 -4.948 -7.577 -13.632 1.00 0.00 C ATOM 657 CD2 LEU A 41 -3.404 -5.615 -13.590 1.00 0.00 C ATOM 0 H LEU A 41 -4.495 -7.048 -9.801 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.733 -4.486 -11.094 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.023 -6.462 -11.552 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.719 -5.044 -12.535 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.549 -7.126 -12.061 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.221 -8.140 -14.218 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.531 -8.265 -13.019 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.614 -7.036 -14.304 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.674 -6.173 -14.176 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.072 -5.076 -14.261 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.885 -4.904 -12.946 1.00 0.00 H new ATOM 669 N PRO A 42 -5.765 -3.043 -10.391 1.00 0.00 N ATOM 670 CA PRO A 42 -6.712 -2.121 -9.732 1.00 0.00 C ATOM 671 C PRO A 42 -8.167 -2.473 -10.083 1.00 0.00 C ATOM 672 O PRO A 42 -9.090 -1.945 -9.485 1.00 0.00 O ATOM 673 CB PRO A 42 -6.332 -0.747 -10.290 1.00 0.00 C ATOM 674 CG PRO A 42 -5.595 -1.001 -11.624 1.00 0.00 C ATOM 675 CD PRO A 42 -5.098 -2.458 -11.584 1.00 0.00 C ATOM 0 HA PRO A 42 -6.652 -2.167 -8.645 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.219 -0.134 -10.448 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.693 -0.208 -9.591 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.262 -0.843 -12.471 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.760 -0.310 -11.743 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.368 -2.995 -12.493 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.013 -2.505 -11.496 1.00 0.00 H new ATOM 683 N GLY A 43 -8.371 -3.357 -11.044 1.00 0.00 N ATOM 684 CA GLY A 43 -9.757 -3.753 -11.445 1.00 0.00 C ATOM 685 C GLY A 43 -10.378 -4.658 -10.363 1.00 0.00 C ATOM 686 O GLY A 43 -11.425 -4.331 -9.833 1.00 0.00 O ATOM 0 H GLY A 43 -7.627 -3.820 -11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.372 -2.864 -11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.733 -4.278 -12.400 1.00 0.00 H new ATOM 690 N PRO A 44 -9.723 -5.778 -10.066 1.00 0.00 N ATOM 691 CA PRO A 44 -10.219 -6.739 -9.056 1.00 0.00 C ATOM 692 C PRO A 44 -9.946 -6.239 -7.633 1.00 0.00 C ATOM 693 O PRO A 44 -10.663 -6.589 -6.709 1.00 0.00 O ATOM 694 CB PRO A 44 -9.429 -8.016 -9.349 1.00 0.00 C ATOM 695 CG PRO A 44 -8.153 -7.581 -10.104 1.00 0.00 C ATOM 696 CD PRO A 44 -8.442 -6.191 -10.696 1.00 0.00 C ATOM 0 HA PRO A 44 -11.297 -6.887 -9.113 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.175 -8.535 -8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.019 -8.707 -9.951 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.298 -7.544 -9.429 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.907 -8.294 -10.891 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.642 -5.487 -10.466 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.529 -6.232 -11.782 1.00 0.00 H new ATOM 704 N VAL A 45 -8.926 -5.423 -7.453 1.00 0.00 N ATOM 705 CA VAL A 45 -8.604 -4.888 -6.091 1.00 0.00 C ATOM 706 C VAL A 45 -9.643 -3.824 -5.735 1.00 0.00 C ATOM 707 O VAL A 45 -10.263 -3.883 -4.685 1.00 0.00 O ATOM 708 CB VAL A 45 -7.188 -4.290 -6.087 1.00 0.00 C ATOM 709 CG1 VAL A 45 -6.883 -3.645 -4.728 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.173 -5.405 -6.343 1.00 0.00 C ATOM 0 H VAL A 45 -8.303 -5.106 -8.196 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.634 -5.688 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.124 -3.530 -6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.877 -3.226 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.604 -2.851 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.952 -4.399 -3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.166 -4.988 -6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.255 -6.158 -5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.374 -5.865 -7.311 1.00 0.00 H new ATOM 720 N LYS A 46 -9.843 -2.872 -6.619 1.00 0.00 N ATOM 721 CA LYS A 46 -10.855 -1.799 -6.377 1.00 0.00 C ATOM 722 C LYS A 46 -12.254 -2.423 -6.388 1.00 0.00 C ATOM 723 O LYS A 46 -13.172 -1.899 -5.778 1.00 0.00 O ATOM 724 CB LYS A 46 -10.758 -0.734 -7.470 1.00 0.00 C ATOM 725 CG LYS A 46 -11.591 0.483 -7.064 1.00 0.00 C ATOM 726 CD LYS A 46 -11.721 1.436 -8.253 1.00 0.00 C ATOM 727 CE LYS A 46 -12.667 0.834 -9.293 1.00 0.00 C ATOM 728 NZ LYS A 46 -13.011 1.868 -10.312 1.00 0.00 N ATOM 0 H LYS A 46 -9.342 -2.795 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.666 -1.330 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.718 -0.444 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.117 -1.135 -8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.579 0.165 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.120 0.995 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.100 2.402 -7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.742 1.614 -8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.197 -0.024 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.573 0.470 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.654 1.458 -11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.476 2.673 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.143 2.194 -10.782 1.00 0.00 H new ATOM 742 N ALA A 47 -12.414 -3.546 -7.071 1.00 0.00 N ATOM 743 CA ALA A 47 -13.746 -4.233 -7.127 1.00 0.00 C ATOM 744 C ALA A 47 -14.216 -4.548 -5.703 1.00 0.00 C ATOM 745 O ALA A 47 -15.404 -4.561 -5.425 1.00 0.00 O ATOM 746 CB ALA A 47 -13.612 -5.535 -7.920 1.00 0.00 C ATOM 0 H ALA A 47 -11.671 -4.012 -7.592 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.473 -3.583 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.579 -6.036 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.275 -5.312 -8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.887 -6.186 -7.431 1.00 0.00 H new ATOM 752 N LEU A 48 -13.281 -4.795 -4.809 1.00 0.00 N ATOM 753 CA LEU A 48 -13.631 -5.106 -3.386 1.00 0.00 C ATOM 754 C LEU A 48 -14.374 -3.918 -2.775 1.00 0.00 C ATOM 755 O LEU A 48 -15.244 -4.086 -1.936 1.00 0.00 O ATOM 756 CB LEU A 48 -12.350 -5.353 -2.588 1.00 0.00 C ATOM 757 CG LEU A 48 -11.974 -6.832 -2.658 1.00 0.00 C ATOM 758 CD1 LEU A 48 -11.315 -7.126 -4.005 1.00 0.00 C ATOM 759 CD2 LEU A 48 -10.993 -7.157 -1.530 1.00 0.00 C ATOM 0 H LEU A 48 -12.281 -4.794 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.262 -5.994 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.539 -4.743 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.494 -5.054 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.870 -7.443 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.046 -8.181 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.011 -6.889 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.417 -6.517 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.722 -8.212 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.097 -6.547 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.461 -6.944 -0.569 1.00 0.00 H new ATOM 771 N CYS A 49 -14.016 -2.723 -3.188 1.00 0.00 N ATOM 772 CA CYS A 49 -14.665 -1.488 -2.648 1.00 0.00 C ATOM 773 C CYS A 49 -16.010 -1.227 -3.340 1.00 0.00 C ATOM 774 O CYS A 49 -16.766 -0.372 -2.909 1.00 0.00 O ATOM 775 CB CYS A 49 -13.739 -0.298 -2.884 1.00 0.00 C ATOM 776 SG CYS A 49 -12.553 -0.186 -1.525 1.00 0.00 S ATOM 0 H CYS A 49 -13.292 -2.552 -3.886 1.00 0.00 H new ATOM 0 HA CYS A 49 -14.846 -1.625 -1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.214 -0.414 -3.832 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.320 0.622 -2.952 1.00 0.00 H new ATOM 781 N ARG A 50 -16.312 -1.949 -4.405 1.00 0.00 N ATOM 782 CA ARG A 50 -17.606 -1.743 -5.131 1.00 0.00 C ATOM 783 C ARG A 50 -18.781 -1.935 -4.159 1.00 0.00 C ATOM 784 O ARG A 50 -19.249 -3.043 -3.943 1.00 0.00 O ATOM 785 CB ARG A 50 -17.708 -2.750 -6.285 1.00 0.00 C ATOM 786 CG ARG A 50 -18.626 -2.193 -7.383 1.00 0.00 C ATOM 787 CD ARG A 50 -19.975 -2.917 -7.348 1.00 0.00 C ATOM 788 NE ARG A 50 -21.006 -2.086 -8.030 1.00 0.00 N ATOM 789 CZ ARG A 50 -22.250 -2.479 -8.050 1.00 0.00 C ATOM 790 NH1 ARG A 50 -22.820 -2.891 -6.951 1.00 0.00 N ATOM 791 NH2 ARG A 50 -22.924 -2.457 -9.168 1.00 0.00 N ATOM 0 H ARG A 50 -15.711 -2.673 -4.799 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.642 -0.731 -5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.717 -2.950 -6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -18.099 -3.699 -5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -18.773 -1.123 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -18.159 -2.321 -8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.892 -3.886 -7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.271 -3.107 -6.316 1.00 0.00 H new ATOM 0 HE ARG A 50 -20.740 -1.211 -8.481 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.293 -2.906 -6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.792 -3.198 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -22.478 -2.133 -10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -23.896 -2.764 -9.183 1.00 0.00 H new ATOM 805 N GLY A 51 -19.251 -0.851 -3.573 1.00 0.00 N ATOM 806 CA GLY A 51 -20.393 -0.924 -2.606 1.00 0.00 C ATOM 807 C GLY A 51 -20.077 -0.097 -1.355 1.00 0.00 C ATOM 808 O GLY A 51 -20.978 0.358 -0.669 1.00 0.00 O ATOM 0 H GLY A 51 -18.885 0.088 -3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.303 -0.552 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.579 -1.962 -2.328 1.00 0.00 H new ATOM 812 N VAL A 52 -18.806 0.092 -1.055 1.00 0.00 N ATOM 813 CA VAL A 52 -18.409 0.884 0.154 1.00 0.00 C ATOM 814 C VAL A 52 -18.630 2.375 -0.115 1.00 0.00 C ATOM 815 O VAL A 52 -18.071 2.929 -1.047 1.00 0.00 O ATOM 816 CB VAL A 52 -16.931 0.631 0.466 1.00 0.00 C ATOM 817 CG1 VAL A 52 -16.573 1.268 1.811 1.00 0.00 C ATOM 818 CG2 VAL A 52 -16.673 -0.876 0.537 1.00 0.00 C ATOM 0 H VAL A 52 -18.026 -0.272 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.017 0.578 1.005 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.318 1.071 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.521 1.087 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.754 2.342 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.189 0.830 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -15.621 -1.055 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.289 -1.314 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.925 -1.334 -0.420 1.00 0.00 H new ATOM 828 N ILE A 53 -19.442 3.016 0.699 1.00 0.00 N ATOM 829 CA ILE A 53 -19.727 4.475 0.522 1.00 0.00 C ATOM 830 C ILE A 53 -19.043 5.268 1.636 1.00 0.00 C ATOM 831 O ILE A 53 -18.502 6.337 1.401 1.00 0.00 O ATOM 832 CB ILE A 53 -21.237 4.710 0.590 1.00 0.00 C ATOM 833 CG1 ILE A 53 -21.953 3.795 -0.418 1.00 0.00 C ATOM 834 CG2 ILE A 53 -21.547 6.177 0.270 1.00 0.00 C ATOM 835 CD1 ILE A 53 -21.478 4.092 -1.848 1.00 0.00 C ATOM 0 H ILE A 53 -19.923 2.582 1.487 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.348 4.803 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 53 -21.590 4.480 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -21.757 2.751 -0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -23.031 3.942 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -22.624 6.341 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.049 6.821 0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.190 6.414 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -21.995 3.435 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -21.697 5.131 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -20.404 3.921 -1.917 1.00 0.00 H new ATOM 847 N PHE A 54 -19.068 4.744 2.842 1.00 0.00 N ATOM 848 CA PHE A 54 -18.427 5.439 4.003 1.00 0.00 C ATOM 849 C PHE A 54 -17.144 4.706 4.398 1.00 0.00 C ATOM 850 O PHE A 54 -16.840 3.647 3.872 1.00 0.00 O ATOM 851 CB PHE A 54 -19.392 5.462 5.193 1.00 0.00 C ATOM 852 CG PHE A 54 -19.921 4.071 5.457 1.00 0.00 C ATOM 853 CD1 PHE A 54 -19.187 3.181 6.251 1.00 0.00 C ATOM 854 CD2 PHE A 54 -21.148 3.673 4.913 1.00 0.00 C ATOM 855 CE1 PHE A 54 -19.680 1.894 6.499 1.00 0.00 C ATOM 856 CE2 PHE A 54 -21.641 2.387 5.162 1.00 0.00 C ATOM 857 CZ PHE A 54 -20.908 1.497 5.954 1.00 0.00 C ATOM 0 H PHE A 54 -19.511 3.854 3.071 1.00 0.00 H new ATOM 0 HA PHE A 54 -18.185 6.463 3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -18.881 5.840 6.079 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -20.219 6.142 4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.241 3.487 6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -21.715 4.359 4.301 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -19.113 1.207 7.111 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -22.588 2.082 4.742 1.00 0.00 H new ATOM 0 HZ PHE A 54 -21.288 0.504 6.145 1.00 0.00 H new ATOM 867 N SER A 55 -16.396 5.274 5.318 1.00 0.00 N ATOM 868 CA SER A 55 -15.117 4.647 5.772 1.00 0.00 C ATOM 869 C SER A 55 -15.409 3.318 6.468 1.00 0.00 C ATOM 870 O SER A 55 -16.077 3.278 7.489 1.00 0.00 O ATOM 871 CB SER A 55 -14.407 5.589 6.744 1.00 0.00 C ATOM 872 OG SER A 55 -14.359 6.894 6.181 1.00 0.00 O ATOM 0 H SER A 55 -16.623 6.156 5.777 1.00 0.00 H new ATOM 0 HA SER A 55 -14.478 4.465 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.934 5.611 7.698 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.398 5.230 6.945 1.00 0.00 H new ATOM 0 HG SER A 55 -13.906 7.502 6.802 1.00 0.00 H new ATOM 878 N ALA A 56 -14.899 2.239 5.918 1.00 0.00 N ATOM 879 CA ALA A 56 -15.111 0.885 6.518 1.00 0.00 C ATOM 880 C ALA A 56 -13.828 0.073 6.359 1.00 0.00 C ATOM 881 O ALA A 56 -12.980 0.410 5.553 1.00 0.00 O ATOM 882 CB ALA A 56 -16.260 0.175 5.795 1.00 0.00 C ATOM 0 H ALA A 56 -14.337 2.242 5.067 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.362 0.983 7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.412 -0.811 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.172 0.762 5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.014 0.068 4.739 1.00 0.00 H new ATOM 888 N ASP A 57 -13.682 -0.990 7.118 1.00 0.00 N ATOM 889 CA ASP A 57 -12.449 -1.832 7.019 1.00 0.00 C ATOM 890 C ASP A 57 -12.727 -3.031 6.112 1.00 0.00 C ATOM 891 O ASP A 57 -13.657 -3.786 6.342 1.00 0.00 O ATOM 892 CB ASP A 57 -12.045 -2.322 8.411 1.00 0.00 C ATOM 893 CG ASP A 57 -13.231 -3.029 9.069 1.00 0.00 C ATOM 894 OD1 ASP A 57 -14.189 -2.350 9.402 1.00 0.00 O ATOM 895 OD2 ASP A 57 -13.163 -4.236 9.226 1.00 0.00 O ATOM 0 H ASP A 57 -14.367 -1.310 7.803 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.636 -1.239 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.198 -3.004 8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.724 -1.481 9.025 1.00 0.00 H new ATOM 900 N VAL A 58 -11.922 -3.195 5.087 1.00 0.00 N ATOM 901 CA VAL A 58 -12.102 -4.331 4.132 1.00 0.00 C ATOM 902 C VAL A 58 -10.894 -5.265 4.222 1.00 0.00 C ATOM 903 O VAL A 58 -9.836 -4.877 4.684 1.00 0.00 O ATOM 904 CB VAL A 58 -12.220 -3.776 2.704 1.00 0.00 C ATOM 905 CG1 VAL A 58 -12.348 -4.926 1.697 1.00 0.00 C ATOM 906 CG2 VAL A 58 -13.456 -2.879 2.608 1.00 0.00 C ATOM 0 H VAL A 58 -11.138 -2.580 4.871 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.006 -4.885 4.383 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.325 -3.199 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.431 -4.519 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.467 -5.564 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.238 -5.513 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -13.541 -2.484 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.347 -3.460 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -13.362 -2.053 3.313 1.00 0.00 H new ATOM 916 N LEU A 59 -11.059 -6.484 3.760 1.00 0.00 N ATOM 917 CA LEU A 59 -9.945 -7.480 3.776 1.00 0.00 C ATOM 918 C LEU A 59 -9.823 -8.095 2.383 1.00 0.00 C ATOM 919 O LEU A 59 -10.822 -8.367 1.736 1.00 0.00 O ATOM 920 CB LEU A 59 -10.253 -8.581 4.795 1.00 0.00 C ATOM 921 CG LEU A 59 -10.110 -8.027 6.213 1.00 0.00 C ATOM 922 CD1 LEU A 59 -10.917 -8.893 7.183 1.00 0.00 C ATOM 923 CD2 LEU A 59 -8.635 -8.048 6.622 1.00 0.00 C ATOM 0 H LEU A 59 -11.933 -6.833 3.367 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.012 -6.990 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.264 -8.959 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.574 -9.422 4.653 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.483 -7.003 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.815 -8.498 8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.968 -8.882 6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.544 -9.917 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.532 -7.653 7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.264 -9.072 6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.057 -7.433 5.932 1.00 0.00 H new ATOM 935 N SER A 60 -8.609 -8.307 1.916 1.00 0.00 N ATOM 936 CA SER A 60 -8.398 -8.901 0.555 1.00 0.00 C ATOM 937 C SER A 60 -9.147 -10.230 0.444 1.00 0.00 C ATOM 938 O SER A 60 -9.208 -10.993 1.393 1.00 0.00 O ATOM 939 CB SER A 60 -6.908 -9.145 0.330 1.00 0.00 C ATOM 940 OG SER A 60 -6.376 -9.839 1.447 1.00 0.00 O ATOM 0 H SER A 60 -7.752 -8.092 2.425 1.00 0.00 H new ATOM 0 HA SER A 60 -8.776 -8.209 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.755 -9.725 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.388 -8.197 0.194 1.00 0.00 H new ATOM 0 HG SER A 60 -6.644 -10.781 1.405 1.00 0.00 H new ATOM 946 N ASN A 61 -9.706 -10.504 -0.716 1.00 0.00 N ATOM 947 CA ASN A 61 -10.453 -11.781 -0.930 1.00 0.00 C ATOM 948 C ASN A 61 -9.470 -12.944 -0.811 1.00 0.00 C ATOM 949 O ASN A 61 -9.818 -14.017 -0.345 1.00 0.00 O ATOM 950 CB ASN A 61 -11.079 -11.776 -2.326 1.00 0.00 C ATOM 951 CG ASN A 61 -12.066 -12.936 -2.448 1.00 0.00 C ATOM 952 OD1 ASN A 61 -11.731 -14.069 -2.161 1.00 0.00 O ATOM 953 ND2 ASN A 61 -13.280 -12.701 -2.868 1.00 0.00 N ATOM 0 H ASN A 61 -9.674 -9.888 -1.529 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.243 -11.884 -0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.590 -10.830 -2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.302 -11.865 -3.085 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.947 -13.468 -2.955 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.561 -11.751 -3.109 1.00 0.00 H new ATOM 960 N SER A 62 -8.243 -12.718 -1.227 1.00 0.00 N ATOM 961 CA SER A 62 -7.188 -13.771 -1.155 1.00 0.00 C ATOM 962 C SER A 62 -5.830 -13.093 -0.959 1.00 0.00 C ATOM 963 O SER A 62 -5.650 -11.945 -1.332 1.00 0.00 O ATOM 964 CB SER A 62 -7.181 -14.582 -2.452 1.00 0.00 C ATOM 965 OG SER A 62 -7.927 -15.777 -2.263 1.00 0.00 O ATOM 0 H SER A 62 -7.928 -11.831 -1.619 1.00 0.00 H new ATOM 0 HA SER A 62 -7.389 -14.443 -0.321 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.612 -13.995 -3.263 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.157 -14.821 -2.740 1.00 0.00 H new ATOM 0 HG SER A 62 -8.686 -15.598 -1.670 1.00 0.00 H new ATOM 971 N GLU A 63 -4.886 -13.795 -0.373 1.00 0.00 N ATOM 972 CA GLU A 63 -3.527 -13.213 -0.132 1.00 0.00 C ATOM 973 C GLU A 63 -2.832 -12.938 -1.466 1.00 0.00 C ATOM 974 O GLU A 63 -2.877 -13.751 -2.376 1.00 0.00 O ATOM 975 CB GLU A 63 -2.685 -14.204 0.676 1.00 0.00 C ATOM 976 CG GLU A 63 -2.668 -15.572 -0.026 1.00 0.00 C ATOM 977 CD GLU A 63 -3.223 -16.647 0.912 1.00 0.00 C ATOM 978 OE1 GLU A 63 -4.409 -16.604 1.196 1.00 0.00 O ATOM 979 OE2 GLU A 63 -2.453 -17.496 1.329 1.00 0.00 O ATOM 0 H GLU A 63 -5.002 -14.755 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.633 -12.279 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.668 -13.828 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.094 -14.307 1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.264 -15.530 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.650 -15.826 -0.322 1.00 0.00 H new ATOM 986 N PHE A 64 -2.174 -11.802 -1.570 1.00 0.00 N ATOM 987 CA PHE A 64 -1.437 -11.445 -2.829 1.00 0.00 C ATOM 988 C PHE A 64 0.043 -11.270 -2.496 1.00 0.00 C ATOM 989 O PHE A 64 0.423 -11.222 -1.335 1.00 0.00 O ATOM 990 CB PHE A 64 -1.946 -10.119 -3.420 1.00 0.00 C ATOM 991 CG PHE A 64 -3.450 -10.012 -3.302 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.275 -10.939 -3.947 1.00 0.00 C ATOM 993 CD2 PHE A 64 -4.015 -8.976 -2.550 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.667 -10.830 -3.840 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.405 -8.866 -2.442 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.231 -9.793 -3.087 1.00 0.00 C ATOM 0 H PHE A 64 -2.116 -11.102 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.596 -12.243 -3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.477 -9.283 -2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.654 -10.049 -4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.839 -11.739 -4.527 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.377 -8.261 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.305 -11.545 -4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.840 -8.066 -1.861 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.304 -9.709 -3.004 1.00 0.00 H new ATOM 1006 N TYR A 65 0.868 -11.135 -3.511 1.00 0.00 N ATOM 1007 CA TYR A 65 2.327 -10.916 -3.282 1.00 0.00 C ATOM 1008 C TYR A 65 2.499 -9.486 -2.787 1.00 0.00 C ATOM 1009 O TYR A 65 1.746 -8.605 -3.175 1.00 0.00 O ATOM 1010 CB TYR A 65 3.107 -11.131 -4.581 1.00 0.00 C ATOM 1011 CG TYR A 65 3.617 -12.552 -4.627 1.00 0.00 C ATOM 1012 CD1 TYR A 65 4.814 -12.883 -3.981 1.00 0.00 C ATOM 1013 CD2 TYR A 65 2.892 -13.539 -5.308 1.00 0.00 C ATOM 1014 CE1 TYR A 65 5.287 -14.201 -4.014 1.00 0.00 C ATOM 1015 CE2 TYR A 65 3.367 -14.858 -5.341 1.00 0.00 C ATOM 1016 CZ TYR A 65 4.564 -15.188 -4.694 1.00 0.00 C ATOM 1017 OH TYR A 65 5.031 -16.486 -4.727 1.00 0.00 O ATOM 0 H TYR A 65 0.588 -11.168 -4.491 1.00 0.00 H new ATOM 0 HA TYR A 65 2.712 -11.623 -2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.466 -10.934 -5.440 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.941 -10.431 -4.638 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.373 -12.122 -3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.969 -13.284 -5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.210 -14.456 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.809 -15.620 -5.866 1.00 0.00 H new ATOM 0 HH TYR A 65 4.410 -17.044 -5.239 1.00 0.00 H new ATOM 1027 N LEU A 66 3.452 -9.257 -1.914 1.00 0.00 N ATOM 1028 CA LEU A 66 3.646 -7.883 -1.354 1.00 0.00 C ATOM 1029 C LEU A 66 5.107 -7.454 -1.455 1.00 0.00 C ATOM 1030 O LEU A 66 5.992 -8.098 -0.913 1.00 0.00 O ATOM 1031 CB LEU A 66 3.232 -7.858 0.125 1.00 0.00 C ATOM 1032 CG LEU A 66 1.919 -8.621 0.333 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.654 -8.779 1.831 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.769 -7.841 -0.299 1.00 0.00 C ATOM 0 H LEU A 66 4.102 -9.962 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 66 3.028 -7.196 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.018 -8.303 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.116 -6.827 0.458 1.00 0.00 H new ATOM 0 HG LEU A 66 1.995 -9.603 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.720 -9.321 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.473 -9.334 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.579 -7.795 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.164 -8.384 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.695 -6.859 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.954 -7.722 -1.367 1.00 0.00 H new ATOM 1046 N ALA A 67 5.338 -6.340 -2.112 1.00 0.00 N ATOM 1047 CA ALA A 67 6.717 -5.779 -2.239 1.00 0.00 C ATOM 1048 C ALA A 67 6.781 -4.562 -1.316 1.00 0.00 C ATOM 1049 O ALA A 67 6.313 -3.488 -1.666 1.00 0.00 O ATOM 1050 CB ALA A 67 6.977 -5.356 -3.690 1.00 0.00 C ATOM 0 H ALA A 67 4.614 -5.789 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 67 7.471 -6.517 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.984 -4.948 -3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.880 -6.222 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.252 -4.597 -3.983 1.00 0.00 H new ATOM 1056 N GLU A 68 7.320 -4.736 -0.127 1.00 0.00 N ATOM 1057 CA GLU A 68 7.378 -3.605 0.855 1.00 0.00 C ATOM 1058 C GLU A 68 8.774 -3.003 0.913 1.00 0.00 C ATOM 1059 O GLU A 68 9.742 -3.582 0.449 1.00 0.00 O ATOM 1060 CB GLU A 68 6.982 -4.096 2.253 1.00 0.00 C ATOM 1061 CG GLU A 68 7.719 -5.395 2.587 1.00 0.00 C ATOM 1062 CD GLU A 68 7.745 -5.596 4.104 1.00 0.00 C ATOM 1063 OE1 GLU A 68 8.661 -5.095 4.733 1.00 0.00 O ATOM 1064 OE2 GLU A 68 6.848 -6.250 4.609 1.00 0.00 O ATOM 0 H GLU A 68 7.722 -5.614 0.203 1.00 0.00 H new ATOM 0 HA GLU A 68 6.678 -2.839 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.220 -3.334 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.905 -4.259 2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.224 -6.239 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.736 -5.358 2.198 1.00 0.00 H new ATOM 1071 N CYS A 69 8.858 -1.834 1.495 1.00 0.00 N ATOM 1072 CA CYS A 69 10.153 -1.114 1.635 1.00 0.00 C ATOM 1073 C CYS A 69 10.396 -0.856 3.125 1.00 0.00 C ATOM 1074 O CYS A 69 9.551 -0.290 3.796 1.00 0.00 O ATOM 1075 CB CYS A 69 10.057 0.216 0.882 1.00 0.00 C ATOM 1076 SG CYS A 69 9.706 -0.097 -0.865 1.00 0.00 S ATOM 0 H CYS A 69 8.058 -1.338 1.889 1.00 0.00 H new ATOM 0 HA CYS A 69 10.974 -1.701 1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.271 0.835 1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.990 0.770 0.982 1.00 0.00 H new ATOM 1081 N ASN A 70 11.530 -1.282 3.645 1.00 0.00 N ATOM 1082 CA ASN A 70 11.831 -1.081 5.102 1.00 0.00 C ATOM 1083 C ASN A 70 13.122 -0.276 5.260 1.00 0.00 C ATOM 1084 O ASN A 70 14.202 -0.761 4.959 1.00 0.00 O ATOM 1085 CB ASN A 70 11.993 -2.446 5.781 1.00 0.00 C ATOM 1086 CG ASN A 70 10.689 -2.826 6.486 1.00 0.00 C ATOM 1087 OD1 ASN A 70 9.559 -2.706 5.847 1.00 0.00 O flip ATOM 1088 ND2 ASN A 70 10.701 -3.233 7.631 1.00 0.00 N flip ATOM 0 H ASN A 70 12.261 -1.762 3.119 1.00 0.00 H new ATOM 0 HA ASN A 70 11.010 -0.535 5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.252 -3.203 5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.811 -2.411 6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.586 -3.326 8.130 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.826 -3.481 8.093 1.00 0.00 H new ATOM 1095 N VAL A 71 13.006 0.950 5.730 1.00 0.00 N ATOM 1096 CA VAL A 71 14.209 1.820 5.926 1.00 0.00 C ATOM 1097 C VAL A 71 15.048 1.247 7.069 1.00 0.00 C ATOM 1098 O VAL A 71 14.638 1.274 8.219 1.00 0.00 O ATOM 1099 CB VAL A 71 13.754 3.249 6.271 1.00 0.00 C ATOM 1100 CG1 VAL A 71 14.962 4.142 6.576 1.00 0.00 C ATOM 1101 CG2 VAL A 71 12.994 3.839 5.081 1.00 0.00 C ATOM 0 H VAL A 71 12.120 1.385 5.987 1.00 0.00 H new ATOM 0 HA VAL A 71 14.806 1.849 5.014 1.00 0.00 H new ATOM 0 HB VAL A 71 13.111 3.206 7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.619 5.148 6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.512 3.733 7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.615 4.181 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.670 4.851 5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.647 3.865 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.123 3.221 4.863 1.00 0.00 H new ATOM 1111 N LYS A 72 16.219 0.733 6.755 1.00 0.00 N ATOM 1112 CA LYS A 72 17.108 0.153 7.807 1.00 0.00 C ATOM 1113 C LYS A 72 17.458 1.253 8.829 1.00 0.00 C ATOM 1114 O LYS A 72 17.588 2.402 8.445 1.00 0.00 O ATOM 1115 CB LYS A 72 18.388 -0.374 7.157 1.00 0.00 C ATOM 1116 CG LYS A 72 18.119 -1.753 6.550 1.00 0.00 C ATOM 1117 CD LYS A 72 19.348 -2.218 5.768 1.00 0.00 C ATOM 1118 CE LYS A 72 18.901 -2.987 4.521 1.00 0.00 C ATOM 1119 NZ LYS A 72 20.082 -3.267 3.657 1.00 0.00 N ATOM 0 H LYS A 72 16.595 0.693 5.808 1.00 0.00 H new ATOM 0 HA LYS A 72 16.599 -0.668 8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.727 0.316 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.185 -0.440 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.885 -2.469 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.252 -1.709 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.955 -1.360 5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.972 -2.854 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.420 -3.921 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.163 -2.406 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.777 -3.789 2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.523 -2.370 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.772 -3.838 4.186 1.00 0.00 H new ATOM 1133 N PRO A 73 17.596 0.886 10.100 1.00 0.00 N ATOM 1134 CA PRO A 73 17.920 1.856 11.166 1.00 0.00 C ATOM 1135 C PRO A 73 19.411 2.205 11.142 1.00 0.00 C ATOM 1136 O PRO A 73 20.240 1.386 10.781 1.00 0.00 O ATOM 1137 CB PRO A 73 17.553 1.119 12.456 1.00 0.00 C ATOM 1138 CG PRO A 73 17.583 -0.390 12.122 1.00 0.00 C ATOM 1139 CD PRO A 73 17.446 -0.507 10.593 1.00 0.00 C ATOM 0 HA PRO A 73 17.386 2.800 11.056 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.260 1.354 13.252 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.566 1.419 12.807 1.00 0.00 H new ATOM 0 HG2 PRO A 73 18.514 -0.844 12.463 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.770 -0.914 12.625 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.211 -1.161 10.175 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.480 -0.926 10.312 1.00 0.00 H new ATOM 1147 N ARG A 74 19.745 3.420 11.531 1.00 0.00 N ATOM 1148 CA ARG A 74 21.176 3.871 11.552 1.00 0.00 C ATOM 1149 C ARG A 74 21.702 3.971 10.111 1.00 0.00 C ATOM 1150 O ARG A 74 22.887 3.807 9.861 1.00 0.00 O ATOM 1151 CB ARG A 74 22.024 2.869 12.361 1.00 0.00 C ATOM 1152 CG ARG A 74 22.620 3.563 13.589 1.00 0.00 C ATOM 1153 CD ARG A 74 23.961 2.913 13.938 1.00 0.00 C ATOM 1154 NE ARG A 74 24.845 3.922 14.584 1.00 0.00 N ATOM 1155 CZ ARG A 74 26.071 4.083 14.165 1.00 0.00 C ATOM 1156 NH1 ARG A 74 27.013 3.274 14.568 1.00 0.00 N ATOM 1157 NH2 ARG A 74 26.354 5.056 13.343 1.00 0.00 N ATOM 0 H ARG A 74 19.075 4.125 11.838 1.00 0.00 H new ATOM 0 HA ARG A 74 21.244 4.851 12.024 1.00 0.00 H new ATOM 0 HB2 ARG A 74 21.408 2.026 12.672 1.00 0.00 H new ATOM 0 HB3 ARG A 74 22.822 2.467 11.737 1.00 0.00 H new ATOM 0 HG2 ARG A 74 22.759 4.625 13.388 1.00 0.00 H new ATOM 0 HG3 ARG A 74 21.935 3.485 14.433 1.00 0.00 H new ATOM 0 HD2 ARG A 74 23.805 2.068 14.608 1.00 0.00 H new ATOM 0 HD3 ARG A 74 24.434 2.522 13.037 1.00 0.00 H new ATOM 0 HE ARG A 74 24.492 4.489 15.355 1.00 0.00 H new ATOM 0 HH11 ARG A 74 26.792 2.514 15.212 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.970 3.402 14.239 1.00 0.00 H new ATOM 0 HH21 ARG A 74 25.618 5.689 13.029 1.00 0.00 H new ATOM 0 HH22 ARG A 74 27.311 5.184 13.014 1.00 0.00 H new ATOM 1171 N LYS A 75 20.821 4.247 9.171 1.00 0.00 N ATOM 1172 CA LYS A 75 21.242 4.368 7.739 1.00 0.00 C ATOM 1173 C LYS A 75 20.682 5.677 7.147 1.00 0.00 C ATOM 1174 O LYS A 75 19.617 6.108 7.551 1.00 0.00 O ATOM 1175 CB LYS A 75 20.709 3.167 6.952 1.00 0.00 C ATOM 1176 CG LYS A 75 21.160 1.865 7.626 1.00 0.00 C ATOM 1177 CD LYS A 75 21.574 0.844 6.560 1.00 0.00 C ATOM 1178 CE LYS A 75 22.209 -0.374 7.235 1.00 0.00 C ATOM 1179 NZ LYS A 75 23.155 -1.033 6.289 1.00 0.00 N ATOM 0 H LYS A 75 19.826 4.393 9.339 1.00 0.00 H new ATOM 0 HA LYS A 75 22.330 4.386 7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.621 3.205 6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 75 21.074 3.202 5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.996 2.063 8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.351 1.461 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.705 0.538 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.280 1.296 5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.736 -0.068 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.435 -1.078 7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.586 -1.860 6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.639 -1.339 5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.900 -0.360 6.018 1.00 0.00 H new ATOM 1193 N PRO A 76 21.411 6.282 6.210 1.00 0.00 N ATOM 1194 CA PRO A 76 20.982 7.548 5.574 1.00 0.00 C ATOM 1195 C PRO A 76 19.835 7.310 4.572 1.00 0.00 C ATOM 1196 O PRO A 76 19.986 7.486 3.370 1.00 0.00 O ATOM 1197 CB PRO A 76 22.256 8.058 4.883 1.00 0.00 C ATOM 1198 CG PRO A 76 23.166 6.828 4.677 1.00 0.00 C ATOM 1199 CD PRO A 76 22.714 5.774 5.702 1.00 0.00 C ATOM 0 HA PRO A 76 20.583 8.269 6.287 1.00 0.00 H new ATOM 0 HB2 PRO A 76 22.018 8.528 3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 76 22.754 8.811 5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 76 23.076 6.445 3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 76 24.213 7.091 4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.604 4.793 5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.440 5.668 6.508 1.00 0.00 H new ATOM 1207 N CYS A 77 18.682 6.935 5.082 1.00 0.00 N ATOM 1208 CA CYS A 77 17.479 6.701 4.218 1.00 0.00 C ATOM 1209 C CYS A 77 17.736 5.569 3.197 1.00 0.00 C ATOM 1210 O CYS A 77 17.527 5.730 2.000 1.00 0.00 O ATOM 1211 CB CYS A 77 17.119 8.009 3.497 1.00 0.00 C ATOM 1212 SG CYS A 77 15.946 8.954 4.507 1.00 0.00 S ATOM 0 H CYS A 77 18.523 6.779 6.077 1.00 0.00 H new ATOM 0 HA CYS A 77 16.645 6.388 4.847 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.019 8.598 3.319 1.00 0.00 H new ATOM 0 HB3 CYS A 77 16.683 7.791 2.522 1.00 0.00 H new ATOM 1217 N LYS A 78 18.156 4.416 3.676 1.00 0.00 N ATOM 1218 CA LYS A 78 18.398 3.244 2.771 1.00 0.00 C ATOM 1219 C LYS A 78 17.214 2.286 2.906 1.00 0.00 C ATOM 1220 O LYS A 78 16.841 1.915 4.008 1.00 0.00 O ATOM 1221 CB LYS A 78 19.690 2.529 3.172 1.00 0.00 C ATOM 1222 CG LYS A 78 20.843 3.028 2.293 1.00 0.00 C ATOM 1223 CD LYS A 78 22.111 3.138 3.135 1.00 0.00 C ATOM 1224 CE LYS A 78 22.867 1.810 3.101 1.00 0.00 C ATOM 1225 NZ LYS A 78 24.148 1.947 3.850 1.00 0.00 N ATOM 0 H LYS A 78 18.342 4.238 4.663 1.00 0.00 H new ATOM 0 HA LYS A 78 18.497 3.582 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.912 2.717 4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.572 1.451 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 78 21.004 2.342 1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 78 20.594 3.998 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 78 22.745 3.938 2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 78 21.856 3.396 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 78 22.258 1.021 3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 78 23.066 1.519 2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 24.646 1.034 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 24.744 2.664 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.949 2.239 4.828 1.00 0.00 H new ATOM 1239 N TYR A 79 16.610 1.907 1.797 1.00 0.00 N ATOM 1240 CA TYR A 79 15.424 0.996 1.846 1.00 0.00 C ATOM 1241 C TYR A 79 15.824 -0.446 1.525 1.00 0.00 C ATOM 1242 O TYR A 79 16.773 -0.695 0.801 1.00 0.00 O ATOM 1243 CB TYR A 79 14.379 1.472 0.824 1.00 0.00 C ATOM 1244 CG TYR A 79 13.189 2.089 1.530 1.00 0.00 C ATOM 1245 CD1 TYR A 79 12.596 1.438 2.618 1.00 0.00 C ATOM 1246 CD2 TYR A 79 12.680 3.309 1.085 1.00 0.00 C ATOM 1247 CE1 TYR A 79 11.493 2.008 3.259 1.00 0.00 C ATOM 1248 CE2 TYR A 79 11.576 3.884 1.726 1.00 0.00 C ATOM 1249 CZ TYR A 79 10.982 3.234 2.815 1.00 0.00 C ATOM 1250 OH TYR A 79 9.893 3.798 3.446 1.00 0.00 O ATOM 0 H TYR A 79 16.892 2.193 0.860 1.00 0.00 H new ATOM 0 HA TYR A 79 15.009 1.022 2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.827 2.201 0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 79 14.051 0.632 0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.992 0.494 2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 79 13.138 3.811 0.245 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.035 1.503 4.097 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.183 4.829 1.381 1.00 0.00 H new ATOM 0 HH TYR A 79 9.668 4.648 3.013 1.00 0.00 H new ATOM 1260 N LYS A 80 15.072 -1.384 2.059 1.00 0.00 N ATOM 1261 CA LYS A 80 15.331 -2.836 1.811 1.00 0.00 C ATOM 1262 C LYS A 80 14.081 -3.445 1.168 1.00 0.00 C ATOM 1263 O LYS A 80 12.972 -3.173 1.594 1.00 0.00 O ATOM 1264 CB LYS A 80 15.620 -3.537 3.141 1.00 0.00 C ATOM 1265 CG LYS A 80 16.486 -4.776 2.897 1.00 0.00 C ATOM 1266 CD LYS A 80 16.325 -5.750 4.067 1.00 0.00 C ATOM 1267 CE LYS A 80 17.385 -6.852 3.970 1.00 0.00 C ATOM 1268 NZ LYS A 80 16.885 -7.967 3.111 1.00 0.00 N ATOM 0 H LYS A 80 14.275 -1.197 2.668 1.00 0.00 H new ATOM 0 HA LYS A 80 16.190 -2.960 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.130 -2.853 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.685 -3.825 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.194 -5.259 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.532 -4.487 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.425 -5.217 5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.327 -6.189 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.307 -6.446 3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 80 17.623 -7.227 4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.610 -8.710 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.017 -8.363 3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.679 -7.605 2.158 1.00 0.00 H new ATOM 1282 N LEU A 81 14.259 -4.252 0.142 1.00 0.00 N ATOM 1283 CA LEU A 81 13.089 -4.880 -0.556 1.00 0.00 C ATOM 1284 C LEU A 81 12.692 -6.179 0.152 1.00 0.00 C ATOM 1285 O LEU A 81 13.522 -7.043 0.381 1.00 0.00 O ATOM 1286 CB LEU A 81 13.472 -5.186 -2.006 1.00 0.00 C ATOM 1287 CG LEU A 81 12.219 -5.156 -2.884 1.00 0.00 C ATOM 1288 CD1 LEU A 81 12.617 -4.860 -4.331 1.00 0.00 C ATOM 1289 CD2 LEU A 81 11.519 -6.515 -2.819 1.00 0.00 C ATOM 0 H LEU A 81 15.170 -4.502 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 81 12.245 -4.191 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.197 -4.455 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.949 -6.164 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 81 11.543 -4.379 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.725 -4.839 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.118 -3.893 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.292 -5.637 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.626 -6.495 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.196 -7.290 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.236 -6.729 -1.789 1.00 0.00 H new ATOM 1301 N LYS A 82 11.422 -6.317 0.484 1.00 0.00 N ATOM 1302 CA LYS A 82 10.931 -7.555 1.168 1.00 0.00 C ATOM 1303 C LYS A 82 9.765 -8.131 0.359 1.00 0.00 C ATOM 1304 O LYS A 82 8.913 -7.397 -0.115 1.00 0.00 O ATOM 1305 CB LYS A 82 10.462 -7.207 2.590 1.00 0.00 C ATOM 1306 CG LYS A 82 11.395 -7.852 3.620 1.00 0.00 C ATOM 1307 CD LYS A 82 11.214 -9.372 3.597 1.00 0.00 C ATOM 1308 CE LYS A 82 9.933 -9.747 4.345 1.00 0.00 C ATOM 1309 NZ LYS A 82 10.265 -10.083 5.759 1.00 0.00 N ATOM 0 H LYS A 82 10.703 -5.615 0.306 1.00 0.00 H new ATOM 0 HA LYS A 82 11.733 -8.290 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.451 -6.125 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.441 -7.558 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.431 -7.596 3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.177 -7.465 4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.163 -9.727 2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.073 -9.858 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.225 -8.919 4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.452 -10.597 3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.395 -10.338 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.926 -10.886 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.706 -9.260 6.217 1.00 0.00 H new ATOM 1323 N LYS A 83 9.737 -9.435 0.200 1.00 0.00 N ATOM 1324 CA LYS A 83 8.644 -10.095 -0.579 1.00 0.00 C ATOM 1325 C LYS A 83 7.835 -11.004 0.346 1.00 0.00 C ATOM 1326 O LYS A 83 8.393 -11.685 1.192 1.00 0.00 O ATOM 1327 CB LYS A 83 9.260 -10.929 -1.706 1.00 0.00 C ATOM 1328 CG LYS A 83 10.290 -11.898 -1.119 1.00 0.00 C ATOM 1329 CD LYS A 83 10.810 -12.836 -2.214 1.00 0.00 C ATOM 1330 CE LYS A 83 12.336 -12.942 -2.123 1.00 0.00 C ATOM 1331 NZ LYS A 83 12.761 -14.336 -2.437 1.00 0.00 N ATOM 0 H LYS A 83 10.434 -10.075 0.582 1.00 0.00 H new ATOM 0 HA LYS A 83 7.987 -9.336 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.481 -11.483 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.735 -10.276 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.119 -11.340 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.838 -12.479 -0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.360 -13.823 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.520 -12.461 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.801 -12.244 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.671 -12.666 -1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.797 -14.406 -2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.328 -14.993 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.455 -14.584 -3.400 1.00 0.00 H new ATOM 1345 N SER A 84 6.528 -11.012 0.189 1.00 0.00 N ATOM 1346 CA SER A 84 5.659 -11.872 1.056 1.00 0.00 C ATOM 1347 C SER A 84 4.333 -12.168 0.352 1.00 0.00 C ATOM 1348 O SER A 84 4.064 -11.662 -0.724 1.00 0.00 O ATOM 1349 CB SER A 84 5.381 -11.141 2.369 1.00 0.00 C ATOM 1350 OG SER A 84 5.056 -9.785 2.092 1.00 0.00 O ATOM 0 H SER A 84 6.027 -10.457 -0.505 1.00 0.00 H new ATOM 0 HA SER A 84 6.173 -12.813 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.560 -11.623 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.254 -11.192 3.019 1.00 0.00 H new ATOM 0 HG SER A 84 4.875 -9.314 2.932 1.00 0.00 H new ATOM 1356 N SER A 85 3.509 -12.983 0.973 1.00 0.00 N ATOM 1357 CA SER A 85 2.176 -13.343 0.392 1.00 0.00 C ATOM 1358 C SER A 85 1.167 -13.459 1.534 1.00 0.00 C ATOM 1359 O SER A 85 1.256 -14.364 2.348 1.00 0.00 O ATOM 1360 CB SER A 85 2.280 -14.681 -0.342 1.00 0.00 C ATOM 1361 OG SER A 85 1.129 -14.858 -1.158 1.00 0.00 O ATOM 0 H SER A 85 3.709 -13.420 1.873 1.00 0.00 H new ATOM 0 HA SER A 85 1.855 -12.577 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.181 -14.704 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.361 -15.498 0.375 1.00 0.00 H new ATOM 0 HG SER A 85 1.192 -15.714 -1.632 1.00 0.00 H new ATOM 1367 N ASN A 86 0.226 -12.539 1.608 1.00 0.00 N ATOM 1368 CA ASN A 86 -0.787 -12.571 2.712 1.00 0.00 C ATOM 1369 C ASN A 86 -1.938 -11.610 2.398 1.00 0.00 C ATOM 1370 O ASN A 86 -1.836 -10.781 1.507 1.00 0.00 O ATOM 1371 CB ASN A 86 -0.104 -12.138 4.013 1.00 0.00 C ATOM 1372 CG ASN A 86 -1.003 -12.456 5.209 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -1.014 -13.568 5.698 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -1.763 -11.518 5.703 1.00 0.00 N ATOM 0 H ASN A 86 0.119 -11.768 0.949 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.188 -13.580 2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.852 -12.651 4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.110 -11.070 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.367 -11.718 6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.753 -10.585 5.292 1.00 0.00 H new ATOM 1381 N ARG A 87 -3.025 -11.726 3.133 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.207 -10.833 2.918 1.00 0.00 C ATOM 1383 C ARG A 87 -3.917 -9.461 3.534 1.00 0.00 C ATOM 1384 O ARG A 87 -3.023 -9.330 4.358 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.433 -11.459 3.585 1.00 0.00 C ATOM 1386 CG ARG A 87 -5.707 -12.822 2.948 1.00 0.00 C ATOM 1387 CD ARG A 87 -6.981 -13.426 3.544 1.00 0.00 C ATOM 1388 NE ARG A 87 -6.813 -13.601 5.017 1.00 0.00 N ATOM 1389 CZ ARG A 87 -5.857 -14.362 5.483 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -5.609 -15.517 4.928 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -5.146 -13.962 6.501 1.00 0.00 N ATOM 0 H ARG A 87 -3.141 -12.411 3.880 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.400 -10.714 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.262 -11.572 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.299 -10.808 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.815 -12.714 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.863 -13.490 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.833 -12.777 3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.193 -14.387 3.076 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.445 -13.126 5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.161 -15.828 4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.863 -16.109 5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.336 -13.057 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.400 -14.554 6.866 1.00 0.00 H new ATOM 1405 N ILE A 88 -4.655 -8.440 3.136 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.409 -7.070 3.686 1.00 0.00 C ATOM 1407 C ILE A 88 -5.717 -6.425 4.139 1.00 0.00 C ATOM 1408 O ILE A 88 -6.763 -6.629 3.545 1.00 0.00 O ATOM 1409 CB ILE A 88 -3.769 -6.196 2.606 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -4.627 -6.244 1.338 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.367 -6.719 2.292 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.373 -4.990 0.500 1.00 0.00 C ATOM 0 H ILE A 88 -5.413 -8.503 2.456 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.743 -7.157 4.545 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.702 -5.168 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.388 -7.136 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.682 -6.309 1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.910 -6.097 1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.756 -6.687 3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.434 -7.747 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.984 -5.025 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.634 -4.105 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.320 -4.945 0.223 1.00 0.00 H new ATOM 1424 N CYS A 89 -5.641 -5.631 5.184 1.00 0.00 N ATOM 1425 CA CYS A 89 -6.843 -4.923 5.714 1.00 0.00 C ATOM 1426 C CYS A 89 -6.727 -3.441 5.352 1.00 0.00 C ATOM 1427 O CYS A 89 -5.756 -2.791 5.707 1.00 0.00 O ATOM 1428 CB CYS A 89 -6.903 -5.083 7.234 1.00 0.00 C ATOM 1429 SG CYS A 89 -8.537 -4.590 7.830 1.00 0.00 S ATOM 0 H CYS A 89 -4.780 -5.444 5.697 1.00 0.00 H new ATOM 0 HA CYS A 89 -7.751 -5.343 5.281 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.701 -6.118 7.509 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.133 -4.472 7.705 1.00 0.00 H new ATOM 1434 N ILE A 90 -7.694 -2.915 4.627 1.00 0.00 N ATOM 1435 CA ILE A 90 -7.641 -1.478 4.206 1.00 0.00 C ATOM 1436 C ILE A 90 -8.932 -0.749 4.589 1.00 0.00 C ATOM 1437 O ILE A 90 -9.970 -1.365 4.770 1.00 0.00 O ATOM 1438 CB ILE A 90 -7.460 -1.417 2.689 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -8.572 -2.224 2.008 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -6.104 -2.013 2.315 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -8.477 -2.069 0.486 1.00 0.00 C ATOM 0 H ILE A 90 -8.519 -3.424 4.310 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.807 -0.992 4.712 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.508 -0.379 2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.488 -3.276 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.546 -1.882 2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.974 -1.970 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.310 -1.444 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.059 -3.051 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -9.271 -2.646 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.584 -1.017 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.509 -2.434 0.143 1.00 0.00 H new ATOM 1453 N ARG A 91 -8.864 0.566 4.679 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.070 1.385 5.014 1.00 0.00 C ATOM 1455 C ARG A 91 -10.622 1.932 3.702 1.00 0.00 C ATOM 1456 O ARG A 91 -9.908 2.591 2.965 1.00 0.00 O ATOM 1457 CB ARG A 91 -9.667 2.537 5.937 1.00 0.00 C ATOM 1458 CG ARG A 91 -10.922 3.251 6.442 1.00 0.00 C ATOM 1459 CD ARG A 91 -10.656 3.835 7.833 1.00 0.00 C ATOM 1460 NE ARG A 91 -10.324 5.283 7.709 1.00 0.00 N ATOM 1461 CZ ARG A 91 -10.147 6.006 8.781 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -9.002 5.976 9.408 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -11.113 6.762 9.225 1.00 0.00 N ATOM 0 H ARG A 91 -8.012 1.106 4.532 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.823 0.785 5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.089 2.157 6.779 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.027 3.239 5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.204 4.045 5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.758 2.553 6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.533 3.705 8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.834 3.302 8.312 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.235 5.709 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.245 5.387 9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.864 6.541 10.246 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.007 6.788 8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.974 7.327 10.063 1.00 0.00 H new ATOM 1477 N CYS A 92 -11.868 1.631 3.387 1.00 0.00 N ATOM 1478 CA CYS A 92 -12.450 2.093 2.088 1.00 0.00 C ATOM 1479 C CYS A 92 -13.640 3.027 2.293 1.00 0.00 C ATOM 1480 O CYS A 92 -14.383 2.919 3.253 1.00 0.00 O ATOM 1481 CB CYS A 92 -12.908 0.875 1.286 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.218 1.370 -0.426 1.00 0.00 S ATOM 0 H CYS A 92 -12.500 1.087 3.975 1.00 0.00 H new ATOM 0 HA CYS A 92 -11.677 2.646 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.147 0.096 1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -13.813 0.455 1.725 1.00 0.00 H new ATOM 1487 N GLU A 93 -13.817 3.924 1.352 1.00 0.00 N ATOM 1488 CA GLU A 93 -14.950 4.893 1.378 1.00 0.00 C ATOM 1489 C GLU A 93 -15.111 5.453 -0.034 1.00 0.00 C ATOM 1490 O GLU A 93 -14.142 5.590 -0.756 1.00 0.00 O ATOM 1491 CB GLU A 93 -14.657 6.032 2.356 1.00 0.00 C ATOM 1492 CG GLU A 93 -13.303 6.664 2.023 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.311 8.135 2.437 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -14.196 8.850 1.995 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -12.433 8.523 3.189 1.00 0.00 O ATOM 0 H GLU A 93 -13.202 4.024 0.544 1.00 0.00 H new ATOM 0 HA GLU A 93 -15.863 4.395 1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.444 6.784 2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -14.651 5.654 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.505 6.134 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.102 6.577 0.955 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.324 5.755 -0.433 1.00 0.00 N ATOM 1503 CA HIS A 94 -16.568 6.292 -1.811 1.00 0.00 C ATOM 1504 C HIS A 94 -16.078 5.280 -2.862 1.00 0.00 C ATOM 1505 O HIS A 94 -15.821 5.633 -4.001 1.00 0.00 O ATOM 1506 CB HIS A 94 -15.827 7.622 -1.980 1.00 0.00 C ATOM 1507 CG HIS A 94 -16.728 8.749 -1.555 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.039 8.850 -1.993 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.524 9.828 -0.731 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.569 9.955 -1.436 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -17.687 10.588 -0.659 1.00 0.00 N ATOM 0 H HIS A 94 -17.161 5.652 0.140 1.00 0.00 H new ATOM 0 HA HIS A 94 -17.637 6.455 -1.951 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.916 7.623 -1.381 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -15.525 7.754 -3.019 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -18.516 8.205 -2.623 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.601 10.053 -0.217 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.583 10.289 -1.598 1.00 0.00 H new ATOM 1519 N GLU A 95 -15.973 4.015 -2.484 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.530 2.932 -3.431 1.00 0.00 C ATOM 1521 C GLU A 95 -14.009 3.003 -3.696 1.00 0.00 C ATOM 1522 O GLU A 95 -13.549 2.692 -4.787 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.310 3.043 -4.754 1.00 0.00 C ATOM 1524 CG GLU A 95 -16.214 1.722 -5.521 1.00 0.00 C ATOM 1525 CD GLU A 95 -16.955 1.851 -6.852 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -18.168 1.714 -6.848 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -16.298 2.086 -7.853 1.00 0.00 O ATOM 0 H GLU A 95 -16.181 3.687 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 95 -15.741 1.968 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -17.354 3.283 -4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.907 3.856 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.169 1.467 -5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -16.644 0.914 -4.930 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.223 3.382 -2.701 1.00 0.00 N ATOM 1535 CA LEU A 96 -11.732 3.440 -2.890 1.00 0.00 C ATOM 1536 C LEU A 96 -11.011 3.426 -1.521 1.00 0.00 C ATOM 1537 O LEU A 96 -11.355 4.211 -0.656 1.00 0.00 O ATOM 1538 CB LEU A 96 -11.351 4.717 -3.652 1.00 0.00 C ATOM 1539 CG LEU A 96 -11.902 5.958 -2.930 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -10.770 6.957 -2.673 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -12.972 6.628 -3.797 1.00 0.00 C ATOM 0 H LEU A 96 -13.551 3.651 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.423 2.566 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.267 4.788 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.746 4.674 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.338 5.649 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.167 7.834 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.006 6.489 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.330 7.260 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.360 7.507 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.533 6.929 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.785 5.926 -3.979 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.011 2.552 -1.356 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.235 2.472 -0.099 1.00 0.00 C ATOM 1555 C PRO A 97 -8.304 3.678 0.006 1.00 0.00 C ATOM 1556 O PRO A 97 -7.416 3.861 -0.813 1.00 0.00 O ATOM 1557 CB PRO A 97 -8.448 1.166 -0.223 1.00 0.00 C ATOM 1558 CG PRO A 97 -8.375 0.847 -1.731 1.00 0.00 C ATOM 1559 CD PRO A 97 -9.563 1.576 -2.385 1.00 0.00 C ATOM 0 HA PRO A 97 -9.857 2.482 0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.449 1.272 0.201 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -8.942 0.361 0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.430 1.186 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.435 -0.227 -1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.263 2.078 -3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.360 0.881 -2.647 1.00 0.00 H new ATOM 1567 N VAL A 98 -8.527 4.507 1.000 1.00 0.00 N ATOM 1568 CA VAL A 98 -7.699 5.737 1.187 1.00 0.00 C ATOM 1569 C VAL A 98 -6.632 5.522 2.270 1.00 0.00 C ATOM 1570 O VAL A 98 -5.653 6.248 2.318 1.00 0.00 O ATOM 1571 CB VAL A 98 -8.626 6.884 1.597 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -9.657 7.110 0.492 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -9.356 6.527 2.902 1.00 0.00 C ATOM 0 H VAL A 98 -9.259 4.379 1.698 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.188 5.972 0.254 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.036 7.788 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.322 7.926 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.146 7.365 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.240 6.201 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.014 7.348 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.947 5.624 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.625 6.356 3.693 1.00 0.00 H new ATOM 1583 N HIS A 99 -6.826 4.551 3.143 1.00 0.00 N ATOM 1584 CA HIS A 99 -5.834 4.306 4.240 1.00 0.00 C ATOM 1585 C HIS A 99 -5.555 2.810 4.387 1.00 0.00 C ATOM 1586 O HIS A 99 -6.141 1.988 3.703 1.00 0.00 O ATOM 1587 CB HIS A 99 -6.396 4.855 5.553 1.00 0.00 C ATOM 1588 CG HIS A 99 -6.520 6.351 5.454 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -7.737 7.005 5.569 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -5.585 7.335 5.243 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -7.505 8.322 5.426 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -6.210 8.578 5.225 1.00 0.00 N ATOM 0 H HIS A 99 -7.628 3.921 3.139 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.899 4.810 3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.370 4.411 5.759 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.741 4.587 6.382 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -8.644 6.567 5.732 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.526 7.169 5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.273 9.080 5.469 1.00 0.00 H new ATOM 1600 N PHE A 100 -4.650 2.469 5.281 1.00 0.00 N ATOM 1601 CA PHE A 100 -4.282 1.039 5.516 1.00 0.00 C ATOM 1602 C PHE A 100 -4.579 0.676 6.974 1.00 0.00 C ATOM 1603 O PHE A 100 -3.996 1.240 7.887 1.00 0.00 O ATOM 1604 CB PHE A 100 -2.785 0.861 5.234 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.538 -0.455 4.538 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -3.156 -0.730 3.313 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -1.684 -1.400 5.119 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -2.918 -1.950 2.668 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -1.447 -2.620 4.474 1.00 0.00 C ATOM 1610 CZ PHE A 100 -2.063 -2.895 3.248 1.00 0.00 C ATOM 0 H PHE A 100 -4.145 3.136 5.865 1.00 0.00 H new ATOM 0 HA PHE A 100 -4.859 0.389 4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.424 1.682 4.614 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.225 0.897 6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.816 -0.002 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.208 -1.188 6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.394 -2.162 1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.789 -3.349 4.923 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.879 -3.835 2.750 1.00 0.00 H new ATOM 1620 N ALA A 101 -5.479 -0.260 7.192 1.00 0.00 N ATOM 1621 CA ALA A 101 -5.835 -0.682 8.583 1.00 0.00 C ATOM 1622 C ALA A 101 -4.720 -1.562 9.145 1.00 0.00 C ATOM 1623 O ALA A 101 -4.320 -1.411 10.289 1.00 0.00 O ATOM 1624 CB ALA A 101 -7.144 -1.477 8.560 1.00 0.00 C ATOM 0 H ALA A 101 -5.985 -0.752 6.455 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.958 0.201 9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.401 -1.783 9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.941 -0.853 8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.022 -2.361 7.934 1.00 0.00 H new ATOM 1630 N GLY A 102 -4.224 -2.476 8.340 1.00 0.00 N ATOM 1631 CA GLY A 102 -3.130 -3.390 8.791 1.00 0.00 C ATOM 1632 C GLY A 102 -3.079 -4.615 7.878 1.00 0.00 C ATOM 1633 O GLY A 102 -3.587 -4.591 6.769 1.00 0.00 O ATOM 0 H GLY A 102 -4.536 -2.626 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.174 -2.868 8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.302 -3.699 9.822 1.00 0.00 H new ATOM 1637 N VAL A 103 -2.466 -5.680 8.348 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.358 -6.931 7.538 1.00 0.00 C ATOM 1639 C VAL A 103 -2.975 -8.099 8.319 1.00 0.00 C ATOM 1640 O VAL A 103 -2.918 -8.129 9.538 1.00 0.00 O ATOM 1641 CB VAL A 103 -0.876 -7.208 7.245 1.00 0.00 C ATOM 1642 CG1 VAL A 103 -0.109 -7.410 8.558 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.744 -8.461 6.376 1.00 0.00 C ATOM 0 H VAL A 103 -2.032 -5.732 9.270 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.895 -6.817 6.596 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.456 -6.354 6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.941 -7.606 8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.191 -6.511 9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.531 -8.257 9.099 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.309 -8.653 6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.173 -9.315 6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.274 -8.309 5.436 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.554 -9.054 7.619 1.00 0.00 N ATOM 1654 CA GLY A 104 -4.177 -10.237 8.298 1.00 0.00 C ATOM 1655 C GLY A 104 -5.687 -10.022 8.430 1.00 0.00 C ATOM 1656 O GLY A 104 -6.422 -10.155 7.465 1.00 0.00 O ATOM 0 H GLY A 104 -3.620 -9.062 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.978 -11.143 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.733 -10.378 9.283 1.00 0.00 H new ATOM 1660 N ILE A 105 -6.147 -9.698 9.622 1.00 0.00 N ATOM 1661 CA ILE A 105 -7.610 -9.473 9.853 1.00 0.00 C ATOM 1662 C ILE A 105 -7.812 -8.243 10.745 1.00 0.00 C ATOM 1663 O ILE A 105 -6.945 -7.887 11.526 1.00 0.00 O ATOM 1664 CB ILE A 105 -8.222 -10.704 10.533 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -7.380 -11.090 11.755 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -8.254 -11.871 9.543 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -8.062 -12.231 12.510 1.00 0.00 C ATOM 0 H ILE A 105 -5.563 -9.580 10.450 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.101 -9.307 8.894 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.238 -10.472 10.854 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.382 -11.395 11.440 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.258 -10.228 12.411 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.689 -12.746 10.026 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.857 -11.597 8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -7.239 -12.102 9.220 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.461 -12.503 13.378 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.050 -11.910 12.839 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.161 -13.094 11.852 1.00 0.00 H new ATOM 1679 N CYS A 106 -8.956 -7.601 10.622 1.00 0.00 N ATOM 1680 CA CYS A 106 -9.257 -6.384 11.444 1.00 0.00 C ATOM 1681 C CYS A 106 -10.367 -6.710 12.461 1.00 0.00 C ATOM 1682 O CYS A 106 -11.064 -7.694 12.294 1.00 0.00 O ATOM 1683 CB CYS A 106 -9.730 -5.258 10.522 1.00 0.00 C ATOM 1684 SG CYS A 106 -8.296 -4.403 9.827 1.00 0.00 S ATOM 0 H CYS A 106 -9.700 -7.874 9.979 1.00 0.00 H new ATOM 0 HA CYS A 106 -8.358 -6.072 11.976 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -10.347 -5.665 9.721 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -10.351 -4.556 11.078 1.00 0.00 H new ATOM 1689 N PRO A 107 -10.509 -5.874 13.486 1.00 0.00 N ATOM 1690 CA PRO A 107 -11.539 -6.072 14.528 1.00 0.00 C ATOM 1691 C PRO A 107 -12.913 -5.638 14.007 1.00 0.00 C ATOM 1692 O PRO A 107 -12.952 -4.774 13.148 1.00 0.00 O ATOM 1693 CB PRO A 107 -11.082 -5.163 15.671 1.00 0.00 C ATOM 1694 CG PRO A 107 -10.177 -4.085 15.035 1.00 0.00 C ATOM 1695 CD PRO A 107 -9.668 -4.667 13.705 1.00 0.00 C ATOM 1696 OXT PRO A 107 -13.900 -6.178 14.478 1.00 0.00 O ATOM 0 HA PRO A 107 -11.640 -7.113 14.835 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.937 -4.707 16.170 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.538 -5.731 16.425 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.733 -3.163 14.867 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.344 -3.840 15.694 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.779 -3.952 12.890 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.610 -4.924 13.762 1.00 0.00 H new TER 1704 PRO A 107