USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 825 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 49 LYS NZ :NH3+ 166:sc= -0.0838 (180deg=-1.09) USER MOD Set 1.2: A 50 ASN : amide:sc= -5.68! C(o=-5.8!,f=-10!) USER MOD Set 2.1: A 5 THR OG1 : rot 170:sc= -0.446 USER MOD Set 2.2: A 9 LYS NZ :NH3+ -111:sc= -3.42 (180deg=-1.8) USER MOD Set 2.3: A 10 HIS : no HD1:sc= -1.47 K(o=-5.3,f=-2.2) USER MOD Single : A 7 GLN : amide:sc= -2.38 K(o=-2.4,f=-3.4!) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -0.322 (180deg=-0.997) USER MOD Single : A 12 THR OG1 : rot 100:sc= -2.57! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00329 USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= -0.363 (180deg=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= -0.115 (180deg=-0.841) USER MOD Single : A 23 MET CE :methyl -167:sc= -1.74 (180deg=-2.16) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -2.87 (180deg=-4.2!) USER MOD Single : A 31 LYS NZ :NH3+ -131:sc= -0.942 (180deg=-2.34!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -9.97! C(o=-10!,f=-5.6!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= -0.873 (180deg=-1.53) USER MOD Single : A 54 ASN : amide:sc= -1.84! K(o=-1.8!,f=0.039) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 59 SER OG : rot 119:sc= 1.33 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= -1.29 (180deg=-1.99) USER MOD Single : A 76 HIS : no HD1:sc= -0.935! C(o=-0.94!,f=-6.3!) USER MOD Single : A 77 TYR OH : rot -97:sc= -0.454! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -169:sc= -0.415 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0482 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 84 ASN : amide:sc= -1.11 K(o=-1.1,f=-7.6!) USER MOD Single : A 85 THR OG1 : rot -80:sc= 1.42 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.538 USER MOD Single : A 89 THR OG1 : rot -52:sc= 0.0172 USER MOD Single : A 92 ASN : amide:sc= -0.0552 X(o=-0.055,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot -27:sc= -2.37! USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -6.628 10.621 -1.007 1.00 1.00 N ATOM 16 CA ASP A 2 -6.882 10.802 -2.464 1.00 1.00 C ATOM 17 C ASP A 2 -6.377 9.558 -3.200 1.00 1.00 C ATOM 18 O ASP A 2 -5.313 9.051 -2.916 1.00 1.00 O ATOM 19 CB ASP A 2 -6.135 12.048 -2.965 1.00 1.00 C ATOM 20 CG ASP A 2 -7.094 13.240 -3.024 1.00 1.00 C ATOM 21 OD1 ASP A 2 -8.101 13.132 -3.703 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.804 14.241 -2.389 1.00 1.00 O ATOM 0 HA ASP A 2 -7.948 10.935 -2.649 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.300 12.274 -2.301 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.715 11.859 -3.953 1.00 1.00 H new ATOM 27 N TRP A 3 -7.134 9.055 -4.132 1.00 1.00 N ATOM 28 CA TRP A 3 -6.692 7.836 -4.865 1.00 1.00 C ATOM 29 C TRP A 3 -5.335 8.106 -5.521 1.00 1.00 C ATOM 30 O TRP A 3 -4.517 7.219 -5.665 1.00 1.00 O ATOM 31 CB TRP A 3 -7.751 7.472 -5.913 1.00 1.00 C ATOM 32 CG TRP A 3 -7.163 6.652 -7.024 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.398 6.873 -8.336 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.274 5.492 -6.957 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.709 5.936 -9.082 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.003 5.063 -8.281 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.677 4.775 -5.899 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.176 3.971 -8.544 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -4.846 3.675 -6.164 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.596 3.274 -7.483 1.00 1.00 C ATOM 0 H TRP A 3 -8.037 9.433 -4.418 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.580 6.997 -4.178 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.560 6.917 -5.438 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.188 8.383 -6.323 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -8.024 7.656 -8.737 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.721 5.895 -10.101 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.861 5.074 -4.878 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -4.986 3.667 -9.563 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.396 3.134 -5.345 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -3.955 2.427 -7.678 1.00 1.00 H new ATOM 51 N GLU A 4 -5.080 9.327 -5.902 1.00 1.00 N ATOM 52 CA GLU A 4 -3.768 9.647 -6.532 1.00 1.00 C ATOM 53 C GLU A 4 -2.647 9.395 -5.522 1.00 1.00 C ATOM 54 O GLU A 4 -1.932 8.423 -5.611 1.00 1.00 O ATOM 55 CB GLU A 4 -3.751 11.114 -6.968 1.00 1.00 C ATOM 56 CG GLU A 4 -4.638 11.290 -8.202 1.00 1.00 C ATOM 57 CD GLU A 4 -6.066 10.847 -7.875 1.00 1.00 C ATOM 58 OE1 GLU A 4 -6.803 11.650 -7.327 1.00 1.00 O ATOM 59 OE2 GLU A 4 -6.397 9.713 -8.177 1.00 1.00 O ATOM 0 H GLU A 4 -5.721 10.115 -5.805 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.618 9.013 -7.406 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.107 11.750 -6.157 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.731 11.426 -7.193 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.634 12.333 -8.520 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -4.245 10.702 -9.032 1.00 1.00 H new ATOM 66 N THR A 5 -2.487 10.254 -4.554 1.00 1.00 N ATOM 67 CA THR A 5 -1.408 10.028 -3.552 1.00 1.00 C ATOM 68 C THR A 5 -1.517 8.600 -3.027 1.00 1.00 C ATOM 69 O THR A 5 -0.555 7.857 -3.017 1.00 1.00 O ATOM 70 CB THR A 5 -1.557 11.014 -2.395 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.545 10.766 -1.431 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.934 10.854 -1.746 1.00 1.00 C ATOM 0 H THR A 5 -3.049 11.093 -4.414 1.00 1.00 H new ATOM 0 HA THR A 5 -0.435 10.179 -4.019 1.00 1.00 H new ATOM 0 HB THR A 5 -1.459 12.031 -2.775 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.536 11.491 -0.772 1.00 1.00 H new ATOM 0 HG21 THR A 5 -3.032 11.561 -0.922 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.710 11.050 -2.486 1.00 1.00 H new ATOM 0 HG23 THR A 5 -3.042 9.838 -1.367 1.00 1.00 H new ATOM 80 N PHE A 6 -2.686 8.200 -2.607 1.00 1.00 N ATOM 81 CA PHE A 6 -2.852 6.813 -2.105 1.00 1.00 C ATOM 82 C PHE A 6 -2.262 5.849 -3.133 1.00 1.00 C ATOM 83 O PHE A 6 -1.897 4.734 -2.824 1.00 1.00 O ATOM 84 CB PHE A 6 -4.339 6.519 -1.915 1.00 1.00 C ATOM 85 CG PHE A 6 -4.506 5.254 -1.111 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.296 5.274 0.272 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.870 4.061 -1.748 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.451 4.101 1.019 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.025 2.889 -1.001 1.00 1.00 C ATOM 90 CZ PHE A 6 -4.816 2.908 0.383 1.00 1.00 C ATOM 0 H PHE A 6 -3.529 8.774 -2.591 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.340 6.693 -1.150 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.823 7.352 -1.405 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.826 6.413 -2.884 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.014 6.194 0.763 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.031 4.046 -2.816 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.289 4.116 2.087 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.306 1.969 -1.492 1.00 1.00 H new ATOM 0 HZ PHE A 6 -4.936 2.003 0.960 1.00 1.00 H new ATOM 100 N GLN A 7 -2.153 6.280 -4.359 1.00 1.00 N ATOM 101 CA GLN A 7 -1.572 5.398 -5.406 1.00 1.00 C ATOM 102 C GLN A 7 -0.062 5.625 -5.455 1.00 1.00 C ATOM 103 O GLN A 7 0.683 4.824 -5.984 1.00 1.00 O ATOM 104 CB GLN A 7 -2.186 5.740 -6.770 1.00 1.00 C ATOM 105 CG GLN A 7 -1.624 4.805 -7.839 1.00 1.00 C ATOM 106 CD GLN A 7 -2.297 5.104 -9.179 1.00 1.00 C ATOM 107 OE1 GLN A 7 -2.728 4.203 -9.870 1.00 1.00 O ATOM 108 NE2 GLN A 7 -2.403 6.342 -9.579 1.00 1.00 N ATOM 0 H GLN A 7 -2.441 7.204 -4.680 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.786 4.355 -5.171 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.271 5.645 -6.725 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -1.967 6.776 -7.028 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -0.545 4.938 -7.923 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -1.796 3.766 -7.557 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -2.041 7.098 -8.998 1.00 1.00 H new ATOM 0 HE22 GLN A 7 -2.848 6.553 -10.472 1.00 1.00 H new ATOM 117 N LYS A 8 0.396 6.730 -4.925 1.00 1.00 N ATOM 118 CA LYS A 8 1.856 7.029 -4.964 1.00 1.00 C ATOM 119 C LYS A 8 2.576 6.474 -3.724 1.00 1.00 C ATOM 120 O LYS A 8 3.590 5.815 -3.837 1.00 1.00 O ATOM 121 CB LYS A 8 2.048 8.547 -5.018 1.00 1.00 C ATOM 122 CG LYS A 8 1.192 9.138 -6.149 1.00 1.00 C ATOM 123 CD LYS A 8 1.954 9.056 -7.474 1.00 1.00 C ATOM 124 CE LYS A 8 1.133 9.722 -8.580 1.00 1.00 C ATOM 125 NZ LYS A 8 -0.312 9.418 -8.379 1.00 1.00 N ATOM 0 H LYS A 8 -0.179 7.437 -4.467 1.00 1.00 H new ATOM 0 HA LYS A 8 2.283 6.553 -5.847 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.766 8.993 -4.064 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.099 8.785 -5.182 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.250 8.595 -6.226 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.944 10.176 -5.925 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.922 9.548 -7.379 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.149 8.014 -7.729 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.294 10.800 -8.568 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.459 9.362 -9.556 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -0.836 9.629 -9.252 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -0.425 8.412 -8.142 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -0.685 10.001 -7.603 1.00 1.00 H new ATOM 139 N LYS A 9 2.092 6.763 -2.543 1.00 1.00 N ATOM 140 CA LYS A 9 2.795 6.279 -1.313 1.00 1.00 C ATOM 141 C LYS A 9 2.291 4.899 -0.861 1.00 1.00 C ATOM 142 O LYS A 9 3.054 4.094 -0.372 1.00 1.00 O ATOM 143 CB LYS A 9 2.583 7.289 -0.180 1.00 1.00 C ATOM 144 CG LYS A 9 1.107 7.692 -0.110 1.00 1.00 C ATOM 145 CD LYS A 9 0.804 8.277 1.274 1.00 1.00 C ATOM 146 CE LYS A 9 -0.512 9.054 1.229 1.00 1.00 C ATOM 147 NZ LYS A 9 -1.512 8.299 0.423 1.00 1.00 N ATOM 0 H LYS A 9 1.247 7.309 -2.376 1.00 1.00 H new ATOM 0 HA LYS A 9 3.854 6.183 -1.553 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.896 6.854 0.769 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.202 8.171 -0.346 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.882 8.425 -0.884 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.473 6.826 -0.298 1.00 1.00 H new ATOM 0 HD2 LYS A 9 0.740 7.477 2.011 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.615 8.935 1.587 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.888 9.210 2.240 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -0.349 10.040 0.794 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -1.700 8.809 -0.463 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.139 7.353 0.205 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -2.396 8.207 0.964 1.00 1.00 H new ATOM 161 N HIS A 10 1.021 4.620 -0.980 1.00 1.00 N ATOM 162 CA HIS A 10 0.514 3.293 -0.507 1.00 1.00 C ATOM 163 C HIS A 10 0.654 2.225 -1.595 1.00 1.00 C ATOM 164 O HIS A 10 0.443 1.062 -1.334 1.00 1.00 O ATOM 165 CB HIS A 10 -0.959 3.417 -0.098 1.00 1.00 C ATOM 166 CG HIS A 10 -1.051 3.942 1.309 1.00 1.00 C ATOM 167 ND1 HIS A 10 -0.739 3.159 2.412 1.00 1.00 N ATOM 168 CD2 HIS A 10 -1.418 5.167 1.811 1.00 1.00 C ATOM 169 CE1 HIS A 10 -0.923 3.914 3.512 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.336 5.143 3.198 1.00 1.00 N ATOM 0 H HIS A 10 0.318 5.242 -1.378 1.00 1.00 H new ATOM 0 HA HIS A 10 1.113 2.989 0.351 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.481 4.087 -0.781 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.449 2.446 -0.167 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -1.723 6.017 1.219 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -0.757 3.568 4.521 1.00 1.00 H new ATOM 0 HE2 HIS A 10 -1.547 5.906 3.841 1.00 1.00 H new ATOM 179 N LEU A 11 0.999 2.589 -2.803 1.00 1.00 N ATOM 180 CA LEU A 11 1.134 1.555 -3.882 1.00 1.00 C ATOM 181 C LEU A 11 2.496 1.677 -4.563 1.00 1.00 C ATOM 182 O LEU A 11 3.101 2.730 -4.587 1.00 1.00 O ATOM 183 CB LEU A 11 0.035 1.771 -4.932 1.00 1.00 C ATOM 184 CG LEU A 11 -1.078 0.733 -4.763 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.911 1.069 -3.527 1.00 1.00 C ATOM 186 CD2 LEU A 11 -1.977 0.753 -5.996 1.00 1.00 C ATOM 0 H LEU A 11 1.192 3.548 -3.091 1.00 1.00 H new ATOM 0 HA LEU A 11 1.041 0.565 -3.435 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.378 2.775 -4.834 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.460 1.698 -5.933 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.636 -0.256 -4.644 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.702 0.329 -3.409 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.272 1.060 -2.644 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.354 2.058 -3.645 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.771 0.015 -5.880 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.416 1.744 -6.110 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.387 0.514 -6.881 1.00 1.00 H new ATOM 198 N THR A 12 2.968 0.603 -5.142 1.00 1.00 N ATOM 199 CA THR A 12 4.280 0.652 -5.855 1.00 1.00 C ATOM 200 C THR A 12 4.186 -0.184 -7.132 1.00 1.00 C ATOM 201 O THR A 12 3.116 -0.602 -7.527 1.00 1.00 O ATOM 202 CB THR A 12 5.395 0.110 -4.956 1.00 1.00 C ATOM 203 OG1 THR A 12 6.582 -0.021 -5.723 1.00 1.00 O ATOM 204 CG2 THR A 12 5.004 -1.256 -4.379 1.00 1.00 C ATOM 0 H THR A 12 2.503 -0.305 -5.152 1.00 1.00 H new ATOM 0 HA THR A 12 4.514 1.686 -6.109 1.00 1.00 H new ATOM 0 HB THR A 12 5.556 0.802 -4.130 1.00 1.00 H new ATOM 0 HG1 THR A 12 7.168 0.745 -5.552 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.808 -1.626 -3.743 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.093 -1.155 -3.790 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.833 -1.960 -5.194 1.00 1.00 H new ATOM 212 N ASP A 13 5.291 -0.414 -7.795 1.00 1.00 N ATOM 213 CA ASP A 13 5.250 -1.205 -9.064 1.00 1.00 C ATOM 214 C ASP A 13 6.116 -2.463 -8.953 1.00 1.00 C ATOM 215 O ASP A 13 6.494 -3.044 -9.950 1.00 1.00 O ATOM 216 CB ASP A 13 5.772 -0.339 -10.212 1.00 1.00 C ATOM 217 CG ASP A 13 7.144 0.228 -9.840 1.00 1.00 C ATOM 218 OD1 ASP A 13 7.200 1.044 -8.934 1.00 1.00 O ATOM 219 OD2 ASP A 13 8.114 -0.164 -10.467 1.00 1.00 O ATOM 0 H ASP A 13 6.217 -0.090 -7.515 1.00 1.00 H new ATOM 0 HA ASP A 13 4.220 -1.507 -9.252 1.00 1.00 H new ATOM 0 HB2 ASP A 13 5.847 -0.931 -11.124 1.00 1.00 H new ATOM 0 HB3 ASP A 13 5.074 0.473 -10.416 1.00 1.00 H new ATOM 224 N THR A 14 6.439 -2.903 -7.765 1.00 1.00 N ATOM 225 CA THR A 14 7.278 -4.131 -7.655 1.00 1.00 C ATOM 226 C THR A 14 7.107 -4.767 -6.274 1.00 1.00 C ATOM 227 O THR A 14 6.845 -4.096 -5.296 1.00 1.00 O ATOM 228 CB THR A 14 8.748 -3.762 -7.866 1.00 1.00 C ATOM 229 OG1 THR A 14 9.539 -4.941 -7.829 1.00 1.00 O ATOM 230 CG2 THR A 14 9.197 -2.808 -6.761 1.00 1.00 C ATOM 0 H THR A 14 6.164 -2.474 -6.881 1.00 1.00 H new ATOM 0 HA THR A 14 6.963 -4.845 -8.416 1.00 1.00 H new ATOM 0 HB THR A 14 8.868 -3.275 -8.834 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.481 -4.707 -7.966 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.244 -2.545 -6.911 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.588 -1.905 -6.791 1.00 1.00 H new ATOM 0 HG23 THR A 14 9.080 -3.293 -5.792 1.00 1.00 H new ATOM 238 N LYS A 15 7.264 -6.061 -6.190 1.00 1.00 N ATOM 239 CA LYS A 15 7.122 -6.748 -4.877 1.00 1.00 C ATOM 240 C LYS A 15 8.340 -6.420 -4.012 1.00 1.00 C ATOM 241 O LYS A 15 8.316 -6.569 -2.806 1.00 1.00 O ATOM 242 CB LYS A 15 7.039 -8.261 -5.102 1.00 1.00 C ATOM 243 CG LYS A 15 7.961 -8.658 -6.258 1.00 1.00 C ATOM 244 CD LYS A 15 8.212 -10.167 -6.222 1.00 1.00 C ATOM 245 CE LYS A 15 6.879 -10.910 -6.332 1.00 1.00 C ATOM 246 NZ LYS A 15 6.052 -10.294 -7.407 1.00 1.00 N ATOM 0 H LYS A 15 7.485 -6.672 -6.977 1.00 1.00 H new ATOM 0 HA LYS A 15 6.215 -6.410 -4.375 1.00 1.00 H new ATOM 0 HB2 LYS A 15 7.328 -8.791 -4.194 1.00 1.00 H new ATOM 0 HB3 LYS A 15 6.012 -8.550 -5.326 1.00 1.00 H new ATOM 0 HG2 LYS A 15 7.509 -8.377 -7.209 1.00 1.00 H new ATOM 0 HG3 LYS A 15 8.906 -8.120 -6.183 1.00 1.00 H new ATOM 0 HD2 LYS A 15 8.870 -10.456 -7.041 1.00 1.00 H new ATOM 0 HD3 LYS A 15 8.717 -10.440 -5.296 1.00 1.00 H new ATOM 0 HE2 LYS A 15 7.055 -11.963 -6.553 1.00 1.00 H new ATOM 0 HE3 LYS A 15 6.348 -10.868 -5.381 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 5.392 -11.002 -7.786 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.515 -9.494 -7.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 6.672 -9.955 -8.170 1.00 1.00 H new ATOM 260 N LYS A 16 9.404 -5.971 -4.625 1.00 1.00 N ATOM 261 CA LYS A 16 10.635 -5.621 -3.856 1.00 1.00 C ATOM 262 C LYS A 16 10.945 -4.138 -4.062 1.00 1.00 C ATOM 263 O LYS A 16 11.946 -3.779 -4.650 1.00 1.00 O ATOM 264 CB LYS A 16 11.807 -6.462 -4.365 1.00 1.00 C ATOM 265 CG LYS A 16 11.478 -7.952 -4.206 1.00 1.00 C ATOM 266 CD LYS A 16 12.301 -8.771 -5.202 1.00 1.00 C ATOM 267 CE LYS A 16 13.787 -8.658 -4.855 1.00 1.00 C ATOM 268 NZ LYS A 16 14.549 -9.710 -5.584 1.00 1.00 N ATOM 0 H LYS A 16 9.473 -5.831 -5.633 1.00 1.00 H new ATOM 0 HA LYS A 16 10.479 -5.821 -2.796 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.005 -6.233 -5.412 1.00 1.00 H new ATOM 0 HB3 LYS A 16 12.712 -6.218 -3.809 1.00 1.00 H new ATOM 0 HG2 LYS A 16 11.695 -8.275 -3.188 1.00 1.00 H new ATOM 0 HG3 LYS A 16 10.414 -8.119 -4.374 1.00 1.00 H new ATOM 0 HD2 LYS A 16 11.989 -9.815 -5.175 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.126 -8.412 -6.216 1.00 1.00 H new ATOM 0 HE2 LYS A 16 14.160 -7.670 -5.125 1.00 1.00 H new ATOM 0 HE3 LYS A 16 13.930 -8.769 -3.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 15.559 -9.633 -5.348 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 14.199 -10.649 -5.305 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 14.422 -9.584 -6.608 1.00 1.00 H new ATOM 282 N VAL A 17 10.090 -3.273 -3.589 1.00 1.00 N ATOM 283 CA VAL A 17 10.334 -1.815 -3.767 1.00 1.00 C ATOM 284 C VAL A 17 11.726 -1.462 -3.284 1.00 1.00 C ATOM 285 O VAL A 17 12.386 -2.235 -2.619 1.00 1.00 O ATOM 286 CB VAL A 17 9.326 -1.008 -2.949 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.918 -1.293 -3.456 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.436 -1.393 -1.467 1.00 1.00 C ATOM 0 H VAL A 17 9.235 -3.513 -3.088 1.00 1.00 H new ATOM 0 HA VAL A 17 10.230 -1.578 -4.826 1.00 1.00 H new ATOM 0 HB VAL A 17 9.539 0.056 -3.056 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.198 -0.718 -2.873 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.845 -1.009 -4.506 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.702 -2.356 -3.352 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.716 -0.816 -0.887 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.227 -2.456 -1.351 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.444 -1.181 -1.110 1.00 1.00 H new ATOM 298 N LYS A 18 12.164 -0.281 -3.597 1.00 1.00 N ATOM 299 CA LYS A 18 13.503 0.157 -3.140 1.00 1.00 C ATOM 300 C LYS A 18 13.314 0.990 -1.878 1.00 1.00 C ATOM 301 O LYS A 18 13.588 2.171 -1.848 1.00 1.00 O ATOM 302 CB LYS A 18 14.179 0.995 -4.228 1.00 1.00 C ATOM 303 CG LYS A 18 13.173 1.999 -4.802 1.00 1.00 C ATOM 304 CD LYS A 18 13.865 2.893 -5.839 1.00 1.00 C ATOM 305 CE LYS A 18 13.829 2.218 -7.213 1.00 1.00 C ATOM 306 NZ LYS A 18 12.421 2.146 -7.695 1.00 1.00 N ATOM 0 H LYS A 18 11.649 0.403 -4.152 1.00 1.00 H new ATOM 0 HA LYS A 18 14.137 -0.706 -2.933 1.00 1.00 H new ATOM 0 HB2 LYS A 18 15.038 1.522 -3.814 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.554 0.347 -5.020 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.340 1.469 -5.263 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.758 2.610 -4.001 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.368 3.862 -5.887 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.897 3.078 -5.542 1.00 1.00 H new ATOM 0 HE2 LYS A 18 14.439 2.779 -7.921 1.00 1.00 H new ATOM 0 HE3 LYS A 18 14.254 1.216 -7.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.407 2.184 -8.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 11.990 1.255 -7.375 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 11.882 2.949 -7.312 1.00 1.00 H new ATOM 320 N CYS A 19 12.817 0.371 -0.843 1.00 1.00 N ATOM 321 CA CYS A 19 12.563 1.092 0.435 1.00 1.00 C ATOM 322 C CYS A 19 13.642 2.156 0.685 1.00 1.00 C ATOM 323 O CYS A 19 13.388 3.178 1.296 1.00 1.00 O ATOM 324 CB CYS A 19 12.580 0.083 1.584 1.00 1.00 C ATOM 325 SG CYS A 19 11.053 -0.886 1.553 1.00 1.00 S ATOM 0 H CYS A 19 12.573 -0.619 -0.829 1.00 1.00 H new ATOM 0 HA CYS A 19 11.594 1.587 0.374 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.444 -0.575 1.492 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.675 0.602 2.538 1.00 1.00 H new ATOM 330 N ASP A 20 14.840 1.924 0.221 1.00 1.00 N ATOM 331 CA ASP A 20 15.931 2.916 0.441 1.00 1.00 C ATOM 332 C ASP A 20 15.458 4.290 -0.022 1.00 1.00 C ATOM 333 O ASP A 20 15.711 5.296 0.611 1.00 1.00 O ATOM 334 CB ASP A 20 17.169 2.500 -0.359 1.00 1.00 C ATOM 335 CG ASP A 20 18.221 3.608 -0.289 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.510 4.056 0.809 1.00 1.00 O ATOM 337 OD2 ASP A 20 18.720 3.992 -1.334 1.00 1.00 O ATOM 0 H ASP A 20 15.110 1.090 -0.301 1.00 1.00 H new ATOM 0 HA ASP A 20 16.185 2.955 1.500 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.577 1.571 0.040 1.00 1.00 H new ATOM 0 HB3 ASP A 20 16.896 2.308 -1.397 1.00 1.00 H new ATOM 342 N VAL A 21 14.754 4.331 -1.115 1.00 1.00 N ATOM 343 CA VAL A 21 14.236 5.626 -1.631 1.00 1.00 C ATOM 344 C VAL A 21 12.740 5.705 -1.317 1.00 1.00 C ATOM 345 O VAL A 21 12.203 6.763 -1.060 1.00 1.00 O ATOM 346 CB VAL A 21 14.456 5.692 -3.148 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.755 7.135 -3.576 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.639 4.797 -3.530 1.00 1.00 C ATOM 0 H VAL A 21 14.513 3.516 -1.678 1.00 1.00 H new ATOM 0 HA VAL A 21 14.758 6.460 -1.162 1.00 1.00 H new ATOM 0 HB VAL A 21 13.553 5.349 -3.653 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.909 7.170 -4.654 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.914 7.775 -3.309 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.654 7.486 -3.069 1.00 1.00 H new ATOM 0 HG21 VAL A 21 15.797 4.843 -4.608 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.537 5.142 -3.017 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.427 3.769 -3.238 1.00 1.00 H new ATOM 358 N GLU A 22 12.066 4.583 -1.312 1.00 1.00 N ATOM 359 CA GLU A 22 10.612 4.594 -0.989 1.00 1.00 C ATOM 360 C GLU A 22 10.452 5.078 0.449 1.00 1.00 C ATOM 361 O GLU A 22 9.358 5.193 0.967 1.00 1.00 O ATOM 362 CB GLU A 22 10.031 3.178 -1.139 1.00 1.00 C ATOM 363 CG GLU A 22 8.794 3.218 -2.042 1.00 1.00 C ATOM 364 CD GLU A 22 8.004 1.920 -1.888 1.00 1.00 C ATOM 365 OE1 GLU A 22 8.396 1.105 -1.069 1.00 1.00 O ATOM 366 OE2 GLU A 22 7.018 1.763 -2.587 1.00 1.00 O ATOM 0 H GLU A 22 12.460 3.665 -1.517 1.00 1.00 H new ATOM 0 HA GLU A 22 10.077 5.256 -1.670 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.781 2.510 -1.563 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.765 2.778 -0.160 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.167 4.070 -1.779 1.00 1.00 H new ATOM 0 HG3 GLU A 22 9.094 3.351 -3.081 1.00 1.00 H new ATOM 373 N MET A 23 11.551 5.353 1.095 1.00 1.00 N ATOM 374 CA MET A 23 11.511 5.825 2.509 1.00 1.00 C ATOM 375 C MET A 23 12.346 7.099 2.641 1.00 1.00 C ATOM 376 O MET A 23 11.921 8.075 3.226 1.00 1.00 O ATOM 377 CB MET A 23 12.097 4.743 3.418 1.00 1.00 C ATOM 378 CG MET A 23 11.379 3.413 3.173 1.00 1.00 C ATOM 379 SD MET A 23 9.799 3.407 4.056 1.00 1.00 S ATOM 380 CE MET A 23 10.447 3.085 5.717 1.00 1.00 C ATOM 0 H MET A 23 12.487 5.270 0.699 1.00 1.00 H new ATOM 0 HA MET A 23 10.480 6.030 2.798 1.00 1.00 H new ATOM 0 HB2 MET A 23 13.164 4.632 3.225 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.991 5.037 4.462 1.00 1.00 H new ATOM 0 HG2 MET A 23 11.212 3.269 2.106 1.00 1.00 H new ATOM 0 HG3 MET A 23 12.000 2.584 3.512 1.00 1.00 H new ATOM 0 HE1 MET A 23 9.627 2.814 6.381 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.166 2.266 5.675 1.00 1.00 H new ATOM 0 HE3 MET A 23 10.939 3.981 6.095 1.00 1.00 H new ATOM 390 N ALA A 24 13.538 7.097 2.107 1.00 1.00 N ATOM 391 CA ALA A 24 14.400 8.307 2.209 1.00 1.00 C ATOM 392 C ALA A 24 13.896 9.379 1.238 1.00 1.00 C ATOM 393 O ALA A 24 14.490 10.430 1.097 1.00 1.00 O ATOM 394 CB ALA A 24 15.841 7.934 1.864 1.00 1.00 C ATOM 0 H ALA A 24 13.950 6.310 1.606 1.00 1.00 H new ATOM 0 HA ALA A 24 14.361 8.698 3.226 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.474 8.819 1.938 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.197 7.174 2.560 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.882 7.543 0.847 1.00 1.00 H new ATOM 400 N LYS A 25 12.805 9.120 0.568 1.00 1.00 N ATOM 401 CA LYS A 25 12.259 10.122 -0.392 1.00 1.00 C ATOM 402 C LYS A 25 12.021 11.450 0.339 1.00 1.00 C ATOM 403 O LYS A 25 12.540 11.681 1.412 1.00 1.00 O ATOM 404 CB LYS A 25 10.928 9.599 -0.958 1.00 1.00 C ATOM 405 CG LYS A 25 11.157 8.943 -2.333 1.00 1.00 C ATOM 406 CD LYS A 25 10.226 7.731 -2.511 1.00 1.00 C ATOM 407 CE LYS A 25 9.044 8.109 -3.410 1.00 1.00 C ATOM 408 NZ LYS A 25 8.457 9.396 -2.944 1.00 1.00 N ATOM 0 H LYS A 25 12.268 8.256 0.644 1.00 1.00 H new ATOM 0 HA LYS A 25 12.967 10.281 -1.206 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.491 8.876 -0.270 1.00 1.00 H new ATOM 0 HB3 LYS A 25 10.217 10.420 -1.052 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.974 9.670 -3.125 1.00 1.00 H new ATOM 0 HG3 LYS A 25 12.196 8.628 -2.424 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.777 6.900 -2.950 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.863 7.395 -1.540 1.00 1.00 H new ATOM 0 HE2 LYS A 25 9.375 8.202 -4.444 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.289 7.323 -3.386 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 7.493 9.495 -3.322 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.424 9.406 -1.905 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 9.043 10.187 -3.280 1.00 1.00 H new ATOM 422 N ALA A 26 11.235 12.322 -0.238 1.00 1.00 N ATOM 423 CA ALA A 26 10.957 13.634 0.416 1.00 1.00 C ATOM 424 C ALA A 26 9.573 13.604 1.071 1.00 1.00 C ATOM 425 O ALA A 26 9.267 14.412 1.926 1.00 1.00 O ATOM 426 CB ALA A 26 10.994 14.743 -0.638 1.00 1.00 C ATOM 0 H ALA A 26 10.773 12.181 -1.136 1.00 1.00 H new ATOM 0 HA ALA A 26 11.713 13.824 1.178 1.00 1.00 H new ATOM 0 HB1 ALA A 26 10.791 15.703 -0.163 1.00 1.00 H new ATOM 0 HB2 ALA A 26 11.979 14.769 -1.104 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.238 14.547 -1.399 1.00 1.00 H new ATOM 432 N LEU A 27 8.728 12.683 0.683 1.00 1.00 N ATOM 433 CA LEU A 27 7.366 12.619 1.294 1.00 1.00 C ATOM 434 C LEU A 27 7.383 11.663 2.487 1.00 1.00 C ATOM 435 O LEU A 27 6.388 11.486 3.165 1.00 1.00 O ATOM 436 CB LEU A 27 6.348 12.141 0.245 1.00 1.00 C ATOM 437 CG LEU A 27 6.510 10.629 -0.020 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.587 9.812 0.903 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.148 10.328 -1.481 1.00 1.00 C ATOM 0 H LEU A 27 8.921 11.976 -0.027 1.00 1.00 H new ATOM 0 HA LEU A 27 7.076 13.611 1.639 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.336 12.348 0.592 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.487 12.695 -0.683 1.00 1.00 H new ATOM 0 HG LEU A 27 7.545 10.351 0.179 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.717 8.749 0.699 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.840 10.016 1.943 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.550 10.092 0.720 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.261 9.261 -1.671 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.115 10.622 -1.668 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.810 10.887 -2.142 1.00 1.00 H new ATOM 451 N PHE A 28 8.506 11.049 2.755 1.00 1.00 N ATOM 452 CA PHE A 28 8.598 10.105 3.910 1.00 1.00 C ATOM 453 C PHE A 28 9.603 10.653 4.930 1.00 1.00 C ATOM 454 O PHE A 28 9.334 10.700 6.112 1.00 1.00 O ATOM 455 CB PHE A 28 9.075 8.738 3.411 1.00 1.00 C ATOM 456 CG PHE A 28 7.913 7.965 2.827 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.829 7.606 3.638 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.923 7.600 1.474 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.757 6.885 3.097 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.852 6.878 0.935 1.00 1.00 C ATOM 461 CZ PHE A 28 5.770 6.521 1.746 1.00 1.00 C ATOM 0 H PHE A 28 9.368 11.161 2.221 1.00 1.00 H new ATOM 0 HA PHE A 28 7.619 10.001 4.378 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.851 8.868 2.657 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.519 8.177 4.233 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.820 7.885 4.681 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.758 7.876 0.847 1.00 1.00 H new ATOM 0 HE1 PHE A 28 4.921 6.610 3.722 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.861 6.596 -0.108 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.944 5.964 1.329 1.00 1.00 H new ATOM 471 N ASP A 29 10.755 11.071 4.478 1.00 1.00 N ATOM 472 CA ASP A 29 11.782 11.622 5.413 1.00 1.00 C ATOM 473 C ASP A 29 12.456 10.483 6.186 1.00 1.00 C ATOM 474 O ASP A 29 12.731 10.600 7.364 1.00 1.00 O ATOM 475 CB ASP A 29 11.126 12.598 6.399 1.00 1.00 C ATOM 476 CG ASP A 29 9.994 13.353 5.699 1.00 1.00 C ATOM 477 OD1 ASP A 29 10.128 13.618 4.515 1.00 1.00 O ATOM 478 OD2 ASP A 29 9.011 13.652 6.358 1.00 1.00 O ATOM 0 H ASP A 29 11.031 11.055 3.496 1.00 1.00 H new ATOM 0 HA ASP A 29 12.535 12.153 4.831 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.736 12.054 7.259 1.00 1.00 H new ATOM 0 HB3 ASP A 29 11.867 13.302 6.776 1.00 1.00 H new ATOM 483 N CYS A 30 12.738 9.389 5.532 1.00 1.00 N ATOM 484 CA CYS A 30 13.410 8.253 6.226 1.00 1.00 C ATOM 485 C CYS A 30 12.630 7.862 7.488 1.00 1.00 C ATOM 486 O CYS A 30 13.117 7.992 8.593 1.00 1.00 O ATOM 487 CB CYS A 30 14.828 8.677 6.619 1.00 1.00 C ATOM 488 SG CYS A 30 15.772 7.231 7.157 1.00 1.00 S ATOM 0 H CYS A 30 12.532 9.233 4.545 1.00 1.00 H new ATOM 0 HA CYS A 30 13.446 7.395 5.554 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.323 9.152 5.772 1.00 1.00 H new ATOM 0 HB3 CYS A 30 14.788 9.415 7.420 1.00 1.00 H new ATOM 493 N LYS A 31 11.423 7.384 7.336 1.00 1.00 N ATOM 494 CA LYS A 31 10.623 6.988 8.532 1.00 1.00 C ATOM 495 C LYS A 31 11.297 5.805 9.232 1.00 1.00 C ATOM 496 O LYS A 31 12.506 5.720 9.313 1.00 1.00 O ATOM 497 CB LYS A 31 9.214 6.561 8.105 1.00 1.00 C ATOM 498 CG LYS A 31 8.608 7.589 7.141 1.00 1.00 C ATOM 499 CD LYS A 31 8.123 8.825 7.907 1.00 1.00 C ATOM 500 CE LYS A 31 7.030 8.438 8.911 1.00 1.00 C ATOM 501 NZ LYS A 31 7.641 8.231 10.255 1.00 1.00 N ATOM 0 H LYS A 31 10.958 7.251 6.438 1.00 1.00 H new ATOM 0 HA LYS A 31 10.561 7.841 9.208 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.254 5.583 7.625 1.00 1.00 H new ATOM 0 HB3 LYS A 31 8.577 6.459 8.984 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.351 7.882 6.399 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.776 7.141 6.599 1.00 1.00 H new ATOM 0 HD2 LYS A 31 8.960 9.287 8.431 1.00 1.00 H new ATOM 0 HD3 LYS A 31 7.737 9.566 7.207 1.00 1.00 H new ATOM 0 HE2 LYS A 31 6.273 9.221 8.960 1.00 1.00 H new ATOM 0 HE3 LYS A 31 6.527 7.528 8.584 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 7.311 7.328 10.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.677 8.213 10.166 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.361 9.008 10.887 1.00 1.00 H new ATOM 515 N LYS A 32 10.509 4.890 9.735 1.00 1.00 N ATOM 516 CA LYS A 32 11.068 3.696 10.433 1.00 1.00 C ATOM 517 C LYS A 32 10.368 2.442 9.894 1.00 1.00 C ATOM 518 O LYS A 32 10.955 1.382 9.799 1.00 1.00 O ATOM 519 CB LYS A 32 10.818 3.838 11.940 1.00 1.00 C ATOM 520 CG LYS A 32 10.745 2.456 12.597 1.00 1.00 C ATOM 521 CD LYS A 32 10.939 2.598 14.108 1.00 1.00 C ATOM 522 CE LYS A 32 10.710 1.243 14.782 1.00 1.00 C ATOM 523 NZ LYS A 32 10.997 1.358 16.240 1.00 1.00 N ATOM 0 H LYS A 32 9.490 4.921 9.691 1.00 1.00 H new ATOM 0 HA LYS A 32 12.141 3.615 10.257 1.00 1.00 H new ATOM 0 HB2 LYS A 32 11.617 4.423 12.395 1.00 1.00 H new ATOM 0 HB3 LYS A 32 9.888 4.380 12.112 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.782 1.992 12.385 1.00 1.00 H new ATOM 0 HG3 LYS A 32 11.512 1.803 12.181 1.00 1.00 H new ATOM 0 HD2 LYS A 32 11.945 2.958 14.324 1.00 1.00 H new ATOM 0 HD3 LYS A 32 10.244 3.337 14.507 1.00 1.00 H new ATOM 0 HE2 LYS A 32 9.681 0.917 14.628 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.354 0.488 14.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.841 0.437 16.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 11.986 1.650 16.377 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 10.364 2.067 16.663 1.00 1.00 H new ATOM 537 N THR A 33 9.118 2.562 9.536 1.00 1.00 N ATOM 538 CA THR A 33 8.367 1.393 8.994 1.00 1.00 C ATOM 539 C THR A 33 7.420 1.883 7.897 1.00 1.00 C ATOM 540 O THR A 33 6.974 3.013 7.914 1.00 1.00 O ATOM 541 CB THR A 33 7.556 0.740 10.116 1.00 1.00 C ATOM 542 OG1 THR A 33 6.628 -0.177 9.554 1.00 1.00 O ATOM 543 CG2 THR A 33 6.803 1.817 10.898 1.00 1.00 C ATOM 0 H THR A 33 8.581 3.427 9.596 1.00 1.00 H new ATOM 0 HA THR A 33 9.064 0.662 8.584 1.00 1.00 H new ATOM 0 HB THR A 33 8.229 0.210 10.790 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.109 -0.598 10.271 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.226 1.350 11.696 1.00 1.00 H new ATOM 0 HG22 THR A 33 7.516 2.520 11.329 1.00 1.00 H new ATOM 0 HG23 THR A 33 6.129 2.350 10.227 1.00 1.00 H new ATOM 551 N ASN A 34 7.113 1.055 6.935 1.00 1.00 N ATOM 552 CA ASN A 34 6.201 1.505 5.844 1.00 1.00 C ATOM 553 C ASN A 34 5.613 0.302 5.110 1.00 1.00 C ATOM 554 O ASN A 34 6.202 -0.760 5.058 1.00 1.00 O ATOM 555 CB ASN A 34 6.986 2.360 4.853 1.00 1.00 C ATOM 556 CG ASN A 34 6.014 3.106 3.937 1.00 1.00 C ATOM 557 OD1 ASN A 34 5.865 4.307 4.042 1.00 1.00 O ATOM 558 ND2 ASN A 34 5.341 2.442 3.038 1.00 1.00 N ATOM 0 H ASN A 34 7.450 0.096 6.857 1.00 1.00 H new ATOM 0 HA ASN A 34 5.389 2.086 6.281 1.00 1.00 H new ATOM 0 HB2 ASN A 34 7.615 3.071 5.389 1.00 1.00 H new ATOM 0 HB3 ASN A 34 7.650 1.731 4.260 1.00 1.00 H new ATOM 0 HD21 ASN A 34 4.690 2.931 2.424 1.00 1.00 H new ATOM 0 HD22 ASN A 34 5.466 1.434 2.949 1.00 1.00 H new ATOM 565 N THR A 35 4.451 0.470 4.536 1.00 1.00 N ATOM 566 CA THR A 35 3.808 -0.649 3.793 1.00 1.00 C ATOM 567 C THR A 35 3.207 -0.111 2.492 1.00 1.00 C ATOM 568 O THR A 35 2.815 1.036 2.403 1.00 1.00 O ATOM 569 CB THR A 35 2.699 -1.260 4.653 1.00 1.00 C ATOM 570 OG1 THR A 35 3.274 -1.875 5.797 1.00 1.00 O ATOM 571 CG2 THR A 35 1.934 -2.306 3.840 1.00 1.00 C ATOM 0 H THR A 35 3.918 1.340 4.551 1.00 1.00 H new ATOM 0 HA THR A 35 4.552 -1.412 3.564 1.00 1.00 H new ATOM 0 HB THR A 35 2.011 -0.475 4.968 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.565 -2.265 6.350 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.145 -2.739 4.455 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.492 -1.833 2.963 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.619 -3.092 3.522 1.00 1.00 H new ATOM 579 N PHE A 36 3.116 -0.939 1.489 1.00 1.00 N ATOM 580 CA PHE A 36 2.521 -0.494 0.190 1.00 1.00 C ATOM 581 C PHE A 36 1.709 -1.654 -0.378 1.00 1.00 C ATOM 582 O PHE A 36 1.581 -2.678 0.251 1.00 1.00 O ATOM 583 CB PHE A 36 3.616 -0.113 -0.818 1.00 1.00 C ATOM 584 CG PHE A 36 4.813 0.476 -0.114 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.607 -0.328 0.706 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.140 1.825 -0.298 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.727 0.212 1.345 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.262 2.366 0.339 1.00 1.00 C ATOM 589 CZ PHE A 36 7.054 1.559 1.161 1.00 1.00 C ATOM 0 H PHE A 36 3.428 -1.910 1.510 1.00 1.00 H new ATOM 0 HA PHE A 36 1.896 0.382 0.363 1.00 1.00 H new ATOM 0 HB2 PHE A 36 3.919 -0.995 -1.383 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.221 0.606 -1.536 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.356 -1.369 0.847 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.526 2.448 -0.932 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.339 -0.411 1.980 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.516 3.406 0.196 1.00 1.00 H new ATOM 0 HZ PHE A 36 7.919 1.976 1.654 1.00 1.00 H new ATOM 599 N ILE A 37 1.158 -1.507 -1.556 1.00 1.00 N ATOM 600 CA ILE A 37 0.355 -2.612 -2.148 1.00 1.00 C ATOM 601 C ILE A 37 0.849 -2.887 -3.571 1.00 1.00 C ATOM 602 O ILE A 37 0.964 -1.984 -4.386 1.00 1.00 O ATOM 603 CB ILE A 37 -1.124 -2.205 -2.170 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.576 -1.814 -0.749 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.968 -3.381 -2.669 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.751 -0.833 -0.818 1.00 1.00 C ATOM 0 H ILE A 37 1.231 -0.668 -2.131 1.00 1.00 H new ATOM 0 HA ILE A 37 0.467 -3.517 -1.551 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.255 -1.353 -2.837 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.869 -2.706 -0.195 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.746 -1.361 -0.207 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -3.019 -3.093 -2.685 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.651 -3.655 -3.675 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.835 -4.233 -2.002 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -3.061 -0.565 0.192 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.444 0.065 -1.354 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.585 -1.301 -1.341 1.00 1.00 H new ATOM 618 N TYR A 38 1.157 -4.127 -3.877 1.00 1.00 N ATOM 619 CA TYR A 38 1.645 -4.452 -5.250 1.00 1.00 C ATOM 620 C TYR A 38 0.458 -4.876 -6.118 1.00 1.00 C ATOM 621 O TYR A 38 0.048 -6.019 -6.109 1.00 1.00 O ATOM 622 CB TYR A 38 2.660 -5.596 -5.183 1.00 1.00 C ATOM 623 CG TYR A 38 3.109 -5.962 -6.579 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.787 -5.023 -7.367 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.849 -7.242 -7.087 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.204 -5.362 -8.659 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.265 -7.581 -8.380 1.00 1.00 C ATOM 628 CZ TYR A 38 3.942 -6.642 -9.166 1.00 1.00 C ATOM 629 OH TYR A 38 4.354 -6.977 -10.440 1.00 1.00 O ATOM 0 H TYR A 38 1.091 -4.920 -3.239 1.00 1.00 H new ATOM 0 HA TYR A 38 2.124 -3.573 -5.682 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.519 -5.298 -4.581 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.214 -6.463 -4.695 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.988 -4.036 -6.977 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.327 -7.967 -6.480 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.728 -4.638 -9.265 1.00 1.00 H new ATOM 0 HE2 TYR A 38 3.063 -8.567 -8.771 1.00 1.00 H new ATOM 0 HH TYR A 38 4.094 -7.902 -10.635 1.00 1.00 H new ATOM 639 N ALA A 39 -0.097 -3.964 -6.869 1.00 1.00 N ATOM 640 CA ALA A 39 -1.258 -4.315 -7.737 1.00 1.00 C ATOM 641 C ALA A 39 -1.304 -3.363 -8.935 1.00 1.00 C ATOM 642 O ALA A 39 -0.773 -2.272 -8.891 1.00 1.00 O ATOM 643 CB ALA A 39 -2.554 -4.187 -6.934 1.00 1.00 C ATOM 0 H ALA A 39 0.203 -2.990 -6.919 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.150 -5.340 -8.090 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.402 -4.444 -7.569 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.522 -4.864 -6.080 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.663 -3.162 -6.580 1.00 1.00 H new ATOM 649 N LEU A 40 -1.929 -3.768 -10.008 1.00 1.00 N ATOM 650 CA LEU A 40 -2.001 -2.883 -11.205 1.00 1.00 C ATOM 651 C LEU A 40 -3.228 -1.960 -11.083 1.00 1.00 C ATOM 652 O LEU A 40 -4.247 -2.346 -10.545 1.00 1.00 O ATOM 653 CB LEU A 40 -2.053 -3.761 -12.474 1.00 1.00 C ATOM 654 CG LEU A 40 -3.492 -3.959 -12.974 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.839 -2.852 -13.969 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.603 -5.315 -13.679 1.00 1.00 C ATOM 0 H LEU A 40 -2.392 -4.672 -10.107 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.118 -2.247 -11.273 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.456 -3.299 -13.260 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.605 -4.732 -12.262 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.178 -3.925 -12.128 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.860 -2.990 -14.326 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.754 -1.882 -13.479 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.151 -2.893 -14.814 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.623 -5.458 -14.035 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.917 -5.342 -14.525 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.348 -6.111 -12.979 1.00 1.00 H new ATOM 668 N PRO A 41 -3.120 -0.740 -11.553 1.00 1.00 N ATOM 669 CA PRO A 41 -4.223 0.260 -11.475 1.00 1.00 C ATOM 670 C PRO A 41 -5.610 -0.348 -11.714 1.00 1.00 C ATOM 671 O PRO A 41 -6.508 -0.205 -10.909 1.00 1.00 O ATOM 672 CB PRO A 41 -3.891 1.250 -12.594 1.00 1.00 C ATOM 673 CG PRO A 41 -2.413 1.147 -12.822 1.00 1.00 C ATOM 674 CD PRO A 41 -1.931 -0.178 -12.211 1.00 1.00 C ATOM 0 HA PRO A 41 -4.278 0.705 -10.481 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.442 1.009 -13.503 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -4.171 2.265 -12.311 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -2.188 1.179 -13.888 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.897 1.989 -12.362 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.547 -0.851 -12.978 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.124 -0.014 -11.497 1.00 1.00 H new ATOM 682 N GLY A 42 -5.794 -1.010 -12.820 1.00 1.00 N ATOM 683 CA GLY A 42 -7.128 -1.609 -13.121 1.00 1.00 C ATOM 684 C GLY A 42 -7.614 -2.438 -11.930 1.00 1.00 C ATOM 685 O GLY A 42 -8.709 -2.255 -11.446 1.00 1.00 O ATOM 0 H GLY A 42 -5.079 -1.164 -13.531 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.847 -0.821 -13.343 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.061 -2.238 -14.009 1.00 1.00 H new ATOM 689 N ARG A 43 -6.813 -3.350 -11.458 1.00 1.00 N ATOM 690 CA ARG A 43 -7.229 -4.196 -10.303 1.00 1.00 C ATOM 691 C ARG A 43 -7.460 -3.322 -9.066 1.00 1.00 C ATOM 692 O ARG A 43 -8.258 -3.648 -8.209 1.00 1.00 O ATOM 693 CB ARG A 43 -6.128 -5.216 -9.999 1.00 1.00 C ATOM 694 CG ARG A 43 -6.060 -6.252 -11.125 1.00 1.00 C ATOM 695 CD ARG A 43 -5.249 -7.462 -10.656 1.00 1.00 C ATOM 696 NE ARG A 43 -5.986 -8.160 -9.566 1.00 1.00 N ATOM 697 CZ ARG A 43 -5.556 -9.310 -9.121 1.00 1.00 C ATOM 698 NH1 ARG A 43 -4.482 -9.847 -9.630 1.00 1.00 N ATOM 699 NH2 ARG A 43 -6.202 -9.922 -8.166 1.00 1.00 N ATOM 0 H ARG A 43 -5.882 -3.548 -11.824 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.155 -4.712 -10.556 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.168 -4.710 -9.899 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -6.329 -5.710 -9.048 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -7.065 -6.563 -11.409 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -5.600 -5.813 -12.010 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -5.078 -8.144 -11.489 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -4.270 -7.142 -10.300 1.00 1.00 H new ATOM 0 HE ARG A 43 -6.826 -7.740 -9.167 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -3.977 -9.369 -10.376 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -4.147 -10.745 -9.282 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -7.042 -9.502 -7.768 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -5.867 -10.820 -7.818 1.00 1.00 H new ATOM 713 N VAL A 44 -6.767 -2.221 -8.958 1.00 1.00 N ATOM 714 CA VAL A 44 -6.948 -1.344 -7.767 1.00 1.00 C ATOM 715 C VAL A 44 -8.271 -0.585 -7.881 1.00 1.00 C ATOM 716 O VAL A 44 -9.130 -0.685 -7.028 1.00 1.00 O ATOM 717 CB VAL A 44 -5.793 -0.345 -7.692 1.00 1.00 C ATOM 718 CG1 VAL A 44 -5.977 0.560 -6.470 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.468 -1.105 -7.576 1.00 1.00 C ATOM 0 H VAL A 44 -6.085 -1.892 -9.641 1.00 1.00 H new ATOM 0 HA VAL A 44 -6.961 -1.957 -6.866 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.781 0.266 -8.594 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.153 1.272 -6.417 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -6.919 1.101 -6.557 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -5.990 -0.048 -5.565 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.644 -0.394 -7.522 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.478 -1.718 -6.674 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.338 -1.745 -8.448 1.00 1.00 H new ATOM 729 N LYS A 45 -8.441 0.169 -8.928 1.00 1.00 N ATOM 730 CA LYS A 45 -9.712 0.930 -9.096 1.00 1.00 C ATOM 731 C LYS A 45 -10.862 -0.059 -9.289 1.00 1.00 C ATOM 732 O LYS A 45 -12.018 0.265 -9.100 1.00 1.00 O ATOM 733 CB LYS A 45 -9.605 1.838 -10.324 1.00 1.00 C ATOM 734 CG LYS A 45 -9.463 0.981 -11.585 1.00 1.00 C ATOM 735 CD LYS A 45 -8.910 1.837 -12.726 1.00 1.00 C ATOM 736 CE LYS A 45 -9.790 3.075 -12.911 1.00 1.00 C ATOM 737 NZ LYS A 45 -11.224 2.674 -12.881 1.00 1.00 N ATOM 0 H LYS A 45 -7.757 0.293 -9.675 1.00 1.00 H new ATOM 0 HA LYS A 45 -9.896 1.541 -8.212 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.490 2.470 -10.399 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.746 2.502 -10.224 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.797 0.140 -11.392 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.431 0.564 -11.865 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -7.885 2.136 -12.506 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.882 1.257 -13.649 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -9.587 3.799 -12.122 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.557 3.562 -13.858 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -11.786 3.353 -13.433 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -11.327 1.724 -13.291 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -11.561 2.665 -11.897 1.00 1.00 H new ATOM 751 N ALA A 46 -10.546 -1.265 -9.672 1.00 1.00 N ATOM 752 CA ALA A 46 -11.601 -2.293 -9.891 1.00 1.00 C ATOM 753 C ALA A 46 -11.940 -2.974 -8.562 1.00 1.00 C ATOM 754 O ALA A 46 -13.001 -3.545 -8.401 1.00 1.00 O ATOM 755 CB ALA A 46 -11.079 -3.338 -10.879 1.00 1.00 C ATOM 0 H ALA A 46 -9.593 -1.585 -9.844 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.498 -1.819 -10.291 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.845 -4.095 -11.046 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.835 -2.854 -11.825 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.185 -3.810 -10.471 1.00 1.00 H new ATOM 761 N LEU A 47 -11.047 -2.928 -7.613 1.00 1.00 N ATOM 762 CA LEU A 47 -11.317 -3.582 -6.300 1.00 1.00 C ATOM 763 C LEU A 47 -12.319 -2.745 -5.498 1.00 1.00 C ATOM 764 O LEU A 47 -12.678 -3.094 -4.391 1.00 1.00 O ATOM 765 CB LEU A 47 -10.006 -3.709 -5.510 1.00 1.00 C ATOM 766 CG LEU A 47 -9.323 -5.045 -5.836 1.00 1.00 C ATOM 767 CD1 LEU A 47 -7.826 -4.945 -5.527 1.00 1.00 C ATOM 768 CD2 LEU A 47 -9.936 -6.161 -4.982 1.00 1.00 C ATOM 0 H LEU A 47 -10.141 -2.466 -7.689 1.00 1.00 H new ATOM 0 HA LEU A 47 -11.735 -4.574 -6.473 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.341 -2.881 -5.758 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.209 -3.646 -4.441 1.00 1.00 H new ATOM 0 HG LEU A 47 -9.467 -5.271 -6.893 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -7.342 -5.894 -5.759 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -7.382 -4.154 -6.131 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -7.687 -4.716 -4.471 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -9.449 -7.108 -5.216 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -9.794 -5.931 -3.926 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.002 -6.239 -5.196 1.00 1.00 H new ATOM 780 N CYS A 48 -12.771 -1.645 -6.040 1.00 1.00 N ATOM 781 CA CYS A 48 -13.748 -0.789 -5.301 1.00 1.00 C ATOM 782 C CYS A 48 -14.967 -0.535 -6.185 1.00 1.00 C ATOM 783 O CYS A 48 -15.740 0.372 -5.951 1.00 1.00 O ATOM 784 CB CYS A 48 -13.093 0.549 -4.951 1.00 1.00 C ATOM 785 SG CYS A 48 -11.974 0.332 -3.548 1.00 1.00 S ATOM 0 H CYS A 48 -12.506 -1.301 -6.963 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.055 -1.296 -4.386 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.543 0.932 -5.811 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.858 1.287 -4.708 1.00 1.00 H new ATOM 790 N LYS A 49 -15.142 -1.324 -7.206 1.00 1.00 N ATOM 791 CA LYS A 49 -16.305 -1.123 -8.112 1.00 1.00 C ATOM 792 C LYS A 49 -17.596 -1.562 -7.414 1.00 1.00 C ATOM 793 O LYS A 49 -17.632 -2.564 -6.730 1.00 1.00 O ATOM 794 CB LYS A 49 -16.098 -1.951 -9.380 1.00 1.00 C ATOM 795 CG LYS A 49 -16.176 -3.440 -9.039 1.00 1.00 C ATOM 796 CD LYS A 49 -15.648 -4.262 -10.216 1.00 1.00 C ATOM 797 CE LYS A 49 -16.017 -5.734 -10.017 1.00 1.00 C ATOM 798 NZ LYS A 49 -17.500 -5.868 -9.945 1.00 1.00 N ATOM 0 H LYS A 49 -14.529 -2.101 -7.453 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.386 -0.067 -8.370 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.857 -1.697 -10.120 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -15.130 -1.719 -9.824 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.591 -3.650 -8.144 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.206 -3.720 -8.819 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -16.072 -3.893 -11.150 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -14.566 -4.154 -10.292 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -15.626 -6.333 -10.840 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -15.562 -6.114 -9.102 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -17.764 -6.869 -10.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -17.836 -5.515 -9.027 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -17.936 -5.314 -10.710 1.00 1.00 H new ATOM 812 N ASN A 50 -18.655 -0.817 -7.595 1.00 1.00 N ATOM 813 CA ASN A 50 -19.962 -1.175 -6.962 1.00 1.00 C ATOM 814 C ASN A 50 -19.951 -0.819 -5.472 1.00 1.00 C ATOM 815 O ASN A 50 -20.838 -1.195 -4.734 1.00 1.00 O ATOM 816 CB ASN A 50 -20.230 -2.677 -7.129 1.00 1.00 C ATOM 817 CG ASN A 50 -19.712 -3.142 -8.491 1.00 1.00 C ATOM 818 OD1 ASN A 50 -19.487 -4.318 -8.699 1.00 1.00 O ATOM 819 ND2 ASN A 50 -19.511 -2.262 -9.433 1.00 1.00 N ATOM 0 H ASN A 50 -18.672 0.032 -8.159 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.752 -0.608 -7.455 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.739 -3.235 -6.332 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -21.298 -2.877 -7.047 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -19.165 -2.561 -10.345 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -19.700 -1.275 -9.258 1.00 1.00 H new ATOM 826 N ILE A 51 -18.962 -0.095 -5.021 1.00 1.00 N ATOM 827 CA ILE A 51 -18.918 0.279 -3.578 1.00 1.00 C ATOM 828 C ILE A 51 -19.633 1.615 -3.379 1.00 1.00 C ATOM 829 O ILE A 51 -20.020 2.273 -4.324 1.00 1.00 O ATOM 830 CB ILE A 51 -17.461 0.408 -3.125 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.744 -0.940 -3.280 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.408 0.849 -1.660 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.491 -2.033 -2.507 1.00 1.00 C ATOM 0 H ILE A 51 -18.187 0.252 -5.586 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.413 -0.492 -2.988 1.00 1.00 H new ATOM 0 HB ILE A 51 -16.964 1.154 -3.745 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.683 -1.208 -4.335 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.721 -0.860 -2.912 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.369 0.939 -1.344 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -17.905 1.813 -1.552 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -17.913 0.109 -1.039 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -16.971 -2.983 -2.626 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.528 -1.770 -1.450 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.506 -2.124 -2.894 1.00 1.00 H new ATOM 845 N ARG A 52 -19.807 2.017 -2.150 1.00 1.00 N ATOM 846 CA ARG A 52 -20.493 3.311 -1.864 1.00 1.00 C ATOM 847 C ARG A 52 -19.463 4.337 -1.388 1.00 1.00 C ATOM 848 O ARG A 52 -18.292 4.233 -1.682 1.00 1.00 O ATOM 849 CB ARG A 52 -21.543 3.101 -0.769 1.00 1.00 C ATOM 850 CG ARG A 52 -22.480 1.957 -1.168 1.00 1.00 C ATOM 851 CD ARG A 52 -23.255 2.337 -2.434 1.00 1.00 C ATOM 852 NE ARG A 52 -24.496 1.517 -2.520 1.00 1.00 N ATOM 853 CZ ARG A 52 -25.502 1.927 -3.244 1.00 1.00 C ATOM 854 NH1 ARG A 52 -25.421 3.056 -3.894 1.00 1.00 N ATOM 855 NH2 ARG A 52 -26.588 1.207 -3.319 1.00 1.00 N ATOM 0 H ARG A 52 -19.501 1.501 -1.325 1.00 1.00 H new ATOM 0 HA ARG A 52 -20.979 3.673 -2.770 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.055 2.871 0.178 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.114 4.017 -0.619 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -21.905 1.048 -1.342 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -23.175 1.744 -0.356 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -23.507 3.397 -2.415 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -22.636 2.173 -3.316 1.00 1.00 H new ATOM 0 HE ARG A 52 -24.560 0.634 -2.013 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -24.572 3.618 -3.836 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -26.207 3.376 -4.460 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -26.651 0.324 -2.812 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -27.374 1.527 -3.885 1.00 1.00 H new ATOM 869 N ASP A 53 -19.892 5.327 -0.654 1.00 1.00 N ATOM 870 CA ASP A 53 -18.944 6.366 -0.157 1.00 1.00 C ATOM 871 C ASP A 53 -17.841 5.722 0.674 1.00 1.00 C ATOM 872 O ASP A 53 -17.464 4.585 0.470 1.00 1.00 O ATOM 873 CB ASP A 53 -19.705 7.373 0.708 1.00 1.00 C ATOM 874 CG ASP A 53 -20.979 7.808 -0.018 1.00 1.00 C ATOM 875 OD1 ASP A 53 -20.873 8.617 -0.925 1.00 1.00 O ATOM 876 OD2 ASP A 53 -22.039 7.324 0.345 1.00 1.00 O ATOM 0 H ASP A 53 -20.864 5.462 -0.375 1.00 1.00 H new ATOM 0 HA ASP A 53 -18.495 6.873 -1.011 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -19.956 6.926 1.670 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -19.077 8.240 0.914 1.00 1.00 H new ATOM 881 N ASN A 54 -17.310 6.461 1.598 1.00 1.00 N ATOM 882 CA ASN A 54 -16.208 5.930 2.446 1.00 1.00 C ATOM 883 C ASN A 54 -16.722 4.761 3.286 1.00 1.00 C ATOM 884 O ASN A 54 -17.556 4.920 4.156 1.00 1.00 O ATOM 885 CB ASN A 54 -15.701 7.037 3.372 1.00 1.00 C ATOM 886 CG ASN A 54 -15.140 8.188 2.535 1.00 1.00 C ATOM 887 OD1 ASN A 54 -13.942 8.386 2.478 1.00 1.00 O ATOM 888 ND2 ASN A 54 -15.960 8.960 1.876 1.00 1.00 N ATOM 0 H ASN A 54 -17.592 7.419 1.807 1.00 1.00 H new ATOM 0 HA ASN A 54 -15.395 5.586 1.807 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -16.513 7.396 4.005 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -14.929 6.646 4.035 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -15.596 9.729 1.314 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -16.965 8.794 1.923 1.00 1.00 H new ATOM 895 N THR A 55 -16.221 3.584 3.027 1.00 1.00 N ATOM 896 CA THR A 55 -16.660 2.385 3.797 1.00 1.00 C ATOM 897 C THR A 55 -15.453 1.468 4.011 1.00 1.00 C ATOM 898 O THR A 55 -14.549 1.420 3.201 1.00 1.00 O ATOM 899 CB THR A 55 -17.749 1.642 3.006 1.00 1.00 C ATOM 900 OG1 THR A 55 -17.963 2.305 1.768 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.057 1.624 3.804 1.00 1.00 C ATOM 0 H THR A 55 -15.520 3.400 2.309 1.00 1.00 H new ATOM 0 HA THR A 55 -17.066 2.686 4.763 1.00 1.00 H new ATOM 0 HB THR A 55 -17.426 0.617 2.827 1.00 1.00 H new ATOM 0 HG1 THR A 55 -18.656 1.834 1.260 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.823 1.096 3.236 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.896 1.117 4.755 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.384 2.647 3.989 1.00 1.00 H new ATOM 909 N ASP A 56 -15.432 0.739 5.094 1.00 1.00 N ATOM 910 CA ASP A 56 -14.282 -0.172 5.356 1.00 1.00 C ATOM 911 C ASP A 56 -14.495 -1.488 4.608 1.00 1.00 C ATOM 912 O ASP A 56 -15.459 -2.191 4.836 1.00 1.00 O ATOM 913 CB ASP A 56 -14.183 -0.449 6.857 1.00 1.00 C ATOM 914 CG ASP A 56 -14.023 0.872 7.612 1.00 1.00 C ATOM 915 OD1 ASP A 56 -13.871 1.890 6.958 1.00 1.00 O ATOM 916 OD2 ASP A 56 -14.057 0.843 8.831 1.00 1.00 O ATOM 0 H ASP A 56 -16.161 0.735 5.808 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.360 0.297 5.012 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.076 -0.970 7.201 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.334 -1.102 7.062 1.00 1.00 H new ATOM 921 N VAL A 57 -13.601 -1.825 3.714 1.00 1.00 N ATOM 922 CA VAL A 57 -13.746 -3.096 2.946 1.00 1.00 C ATOM 923 C VAL A 57 -12.581 -4.031 3.271 1.00 1.00 C ATOM 924 O VAL A 57 -11.607 -3.637 3.884 1.00 1.00 O ATOM 925 CB VAL A 57 -13.752 -2.789 1.448 1.00 1.00 C ATOM 926 CG1 VAL A 57 -15.058 -2.082 1.081 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.567 -1.884 1.106 1.00 1.00 C ATOM 0 H VAL A 57 -12.775 -1.273 3.483 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.683 -3.579 3.222 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.670 -3.719 0.885 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -15.065 -1.862 0.013 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.902 -2.728 1.324 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -15.139 -1.152 1.644 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.572 -1.666 0.038 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -12.647 -0.953 1.667 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.637 -2.388 1.369 1.00 1.00 H new ATOM 937 N LEU A 58 -12.682 -5.269 2.864 1.00 1.00 N ATOM 938 CA LEU A 58 -11.596 -6.259 3.139 1.00 1.00 C ATOM 939 C LEU A 58 -11.208 -6.942 1.822 1.00 1.00 C ATOM 940 O LEU A 58 -12.055 -7.256 1.011 1.00 1.00 O ATOM 941 CB LEU A 58 -12.132 -7.312 4.131 1.00 1.00 C ATOM 942 CG LEU A 58 -11.142 -7.553 5.284 1.00 1.00 C ATOM 943 CD1 LEU A 58 -9.861 -8.197 4.749 1.00 1.00 C ATOM 944 CD2 LEU A 58 -10.800 -6.228 5.981 1.00 1.00 C ATOM 0 H LEU A 58 -13.479 -5.641 2.347 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.723 -5.764 3.564 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.089 -6.980 4.534 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.316 -8.249 3.605 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.608 -8.223 6.006 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.166 -8.364 5.572 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.102 -9.150 4.279 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.401 -7.536 4.014 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.099 -6.415 6.794 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.348 -5.545 5.262 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -11.710 -5.782 6.382 1.00 1.00 H new ATOM 956 N SER A 59 -9.941 -7.176 1.594 1.00 1.00 N ATOM 957 CA SER A 59 -9.546 -7.837 0.317 1.00 1.00 C ATOM 958 C SER A 59 -10.316 -9.153 0.173 1.00 1.00 C ATOM 959 O SER A 59 -10.789 -9.717 1.141 1.00 1.00 O ATOM 960 CB SER A 59 -8.037 -8.097 0.303 1.00 1.00 C ATOM 961 OG SER A 59 -7.783 -9.383 -0.247 1.00 1.00 O ATOM 0 H SER A 59 -9.175 -6.942 2.226 1.00 1.00 H new ATOM 0 HA SER A 59 -9.789 -7.185 -0.522 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.531 -7.332 -0.285 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.637 -8.037 1.315 1.00 1.00 H new ATOM 0 HG SER A 59 -7.231 -9.291 -1.052 1.00 1.00 H new ATOM 967 N ARG A 60 -10.467 -9.632 -1.032 1.00 1.00 N ATOM 968 CA ARG A 60 -11.229 -10.895 -1.250 1.00 1.00 C ATOM 969 C ARG A 60 -10.501 -12.079 -0.611 1.00 1.00 C ATOM 970 O ARG A 60 -11.116 -12.958 -0.043 1.00 1.00 O ATOM 971 CB ARG A 60 -11.375 -11.143 -2.753 1.00 1.00 C ATOM 972 CG ARG A 60 -12.146 -9.985 -3.389 1.00 1.00 C ATOM 973 CD ARG A 60 -12.415 -10.299 -4.862 1.00 1.00 C ATOM 974 NE ARG A 60 -13.459 -11.357 -4.961 1.00 1.00 N ATOM 975 CZ ARG A 60 -13.638 -11.993 -6.085 1.00 1.00 C ATOM 976 NH1 ARG A 60 -12.904 -11.703 -7.124 1.00 1.00 N ATOM 977 NH2 ARG A 60 -14.553 -12.920 -6.172 1.00 1.00 N ATOM 0 H ARG A 60 -10.094 -9.201 -1.878 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.212 -10.797 -0.789 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -10.392 -11.236 -3.214 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -11.899 -12.082 -2.928 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -13.087 -9.828 -2.862 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -11.574 -9.062 -3.302 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -12.743 -9.399 -5.383 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -11.498 -10.632 -5.348 1.00 1.00 H new ATOM 0 HE ARG A 60 -14.034 -11.584 -4.149 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -12.189 -10.978 -7.057 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -13.045 -12.201 -8.003 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -15.128 -13.147 -5.361 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -14.693 -13.417 -7.051 1.00 1.00 H new ATOM 991 N ASP A 61 -9.199 -12.120 -0.706 1.00 1.00 N ATOM 992 CA ASP A 61 -8.449 -13.263 -0.108 1.00 1.00 C ATOM 993 C ASP A 61 -7.108 -12.775 0.436 1.00 1.00 C ATOM 994 O ASP A 61 -6.905 -12.700 1.632 1.00 1.00 O ATOM 995 CB ASP A 61 -8.206 -14.327 -1.180 1.00 1.00 C ATOM 996 CG ASP A 61 -7.528 -15.544 -0.550 1.00 1.00 C ATOM 997 OD1 ASP A 61 -7.718 -15.755 0.637 1.00 1.00 O ATOM 998 OD2 ASP A 61 -6.829 -16.244 -1.264 1.00 1.00 O ATOM 0 H ASP A 61 -8.625 -11.416 -1.169 1.00 1.00 H new ATOM 0 HA ASP A 61 -9.033 -13.690 0.707 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -9.151 -14.620 -1.636 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.581 -13.921 -1.975 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.187 -12.447 -0.427 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.862 -11.971 0.054 1.00 1.00 C ATOM 1005 C ALA A 62 -4.210 -11.088 -1.011 1.00 1.00 C ATOM 1006 O ALA A 62 -4.650 -11.035 -2.143 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.961 -13.173 0.340 1.00 1.00 C ATOM 0 H ALA A 62 -6.295 -12.488 -1.440 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.999 -11.391 0.967 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.990 -12.824 0.692 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.421 -13.799 1.105 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.828 -13.754 -0.573 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.161 -10.396 -0.658 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.477 -9.518 -1.648 1.00 1.00 C ATOM 1015 C PHE A 63 -1.001 -9.390 -1.271 1.00 1.00 C ATOM 1016 O PHE A 63 -0.656 -9.224 -0.117 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.132 -8.131 -1.646 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.328 -8.139 -2.568 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -4.162 -7.860 -3.930 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -5.598 -8.430 -2.061 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -5.270 -7.870 -4.786 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -6.707 -8.441 -2.917 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.542 -8.161 -4.279 1.00 1.00 C ATOM 0 H PHE A 63 -2.748 -10.401 0.275 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.564 -9.953 -2.644 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.440 -7.864 -0.635 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.414 -7.377 -1.970 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -3.180 -7.637 -4.320 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -5.724 -8.646 -1.010 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -5.143 -7.653 -5.836 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -7.689 -8.665 -2.527 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.397 -8.170 -4.939 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.131 -9.469 -2.239 1.00 1.00 N ATOM 1034 CA LEU A 64 1.325 -9.357 -1.951 1.00 1.00 C ATOM 1035 C LEU A 64 1.698 -7.887 -1.770 1.00 1.00 C ATOM 1036 O LEU A 64 1.654 -7.109 -2.703 1.00 1.00 O ATOM 1037 CB LEU A 64 2.113 -9.938 -3.131 1.00 1.00 C ATOM 1038 CG LEU A 64 3.546 -10.278 -2.698 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.166 -11.244 -3.711 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.392 -8.999 -2.635 1.00 1.00 C ATOM 0 H LEU A 64 -0.368 -9.607 -3.222 1.00 1.00 H new ATOM 0 HA LEU A 64 1.562 -9.906 -1.040 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.616 -10.834 -3.503 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.134 -9.221 -3.952 1.00 1.00 H new ATOM 0 HG LEU A 64 3.521 -10.741 -1.712 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.184 -11.487 -3.406 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.572 -12.157 -3.754 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.184 -10.777 -4.696 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.407 -9.249 -2.327 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.416 -8.530 -3.619 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.954 -8.308 -1.914 1.00 1.00 H new ATOM 1052 N LEU A 65 2.066 -7.492 -0.580 1.00 1.00 N ATOM 1053 CA LEU A 65 2.447 -6.068 -0.362 1.00 1.00 C ATOM 1054 C LEU A 65 3.886 -5.985 0.164 1.00 1.00 C ATOM 1055 O LEU A 65 4.250 -6.674 1.094 1.00 1.00 O ATOM 1056 CB LEU A 65 1.516 -5.399 0.663 1.00 1.00 C ATOM 1057 CG LEU A 65 0.516 -6.393 1.244 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.026 -5.850 2.587 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.672 -6.535 0.283 1.00 1.00 C ATOM 0 H LEU A 65 2.119 -8.090 0.245 1.00 1.00 H new ATOM 0 HA LEU A 65 2.362 -5.551 -1.318 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.110 -4.967 1.468 1.00 1.00 H new ATOM 0 HB3 LEU A 65 0.980 -4.578 0.187 1.00 1.00 H new ATOM 0 HG LEU A 65 0.984 -7.368 1.382 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.691 -6.546 3.021 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.873 -5.733 3.263 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.453 -4.883 2.435 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.390 -7.245 0.694 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.153 -5.566 0.154 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.318 -6.896 -0.683 1.00 1.00 H new ATOM 1071 N PRO A 66 4.686 -5.115 -0.400 1.00 1.00 N ATOM 1072 CA PRO A 66 6.086 -4.909 0.057 1.00 1.00 C ATOM 1073 C PRO A 66 6.095 -4.106 1.361 1.00 1.00 C ATOM 1074 O PRO A 66 5.164 -3.379 1.641 1.00 1.00 O ATOM 1075 CB PRO A 66 6.735 -4.125 -1.086 1.00 1.00 C ATOM 1076 CG PRO A 66 5.613 -3.421 -1.776 1.00 1.00 C ATOM 1077 CD PRO A 66 4.344 -4.235 -1.527 1.00 1.00 C ATOM 0 HA PRO A 66 6.615 -5.838 0.267 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.470 -3.415 -0.707 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.260 -4.792 -1.770 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.501 -2.407 -1.391 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.812 -3.336 -2.844 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.500 -3.590 -1.285 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.062 -4.811 -2.409 1.00 1.00 H new ATOM 1085 N GLN A 67 7.106 -4.235 2.174 1.00 1.00 N ATOM 1086 CA GLN A 67 7.108 -3.468 3.456 1.00 1.00 C ATOM 1087 C GLN A 67 8.532 -3.061 3.832 1.00 1.00 C ATOM 1088 O GLN A 67 9.448 -3.860 3.793 1.00 1.00 O ATOM 1089 CB GLN A 67 6.523 -4.337 4.573 1.00 1.00 C ATOM 1090 CG GLN A 67 5.222 -4.987 4.094 1.00 1.00 C ATOM 1091 CD GLN A 67 4.561 -5.724 5.260 1.00 1.00 C ATOM 1092 OE1 GLN A 67 5.112 -5.797 6.340 1.00 1.00 O ATOM 1093 NE2 GLN A 67 3.392 -6.278 5.086 1.00 1.00 N ATOM 0 H GLN A 67 7.920 -4.828 2.013 1.00 1.00 H new ATOM 0 HA GLN A 67 6.503 -2.570 3.327 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.240 -5.106 4.862 1.00 1.00 H new ATOM 0 HB3 GLN A 67 6.333 -3.729 5.458 1.00 1.00 H new ATOM 0 HG2 GLN A 67 4.547 -4.227 3.700 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.428 -5.682 3.280 1.00 1.00 H new ATOM 0 HE21 GLN A 67 2.929 -6.217 4.179 1.00 1.00 H new ATOM 0 HE22 GLN A 67 2.942 -6.772 5.857 1.00 1.00 H new ATOM 1102 N CYS A 68 8.723 -1.825 4.213 1.00 1.00 N ATOM 1103 CA CYS A 68 10.087 -1.371 4.611 1.00 1.00 C ATOM 1104 C CYS A 68 10.253 -1.552 6.118 1.00 1.00 C ATOM 1105 O CYS A 68 9.464 -1.059 6.901 1.00 1.00 O ATOM 1106 CB CYS A 68 10.262 0.105 4.253 1.00 1.00 C ATOM 1107 SG CYS A 68 9.819 0.358 2.519 1.00 1.00 S ATOM 0 H CYS A 68 7.995 -1.112 4.266 1.00 1.00 H new ATOM 0 HA CYS A 68 10.837 -1.960 4.083 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.634 0.723 4.894 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.293 0.413 4.425 1.00 1.00 H new ATOM 1112 N ASP A 69 11.269 -2.265 6.531 1.00 1.00 N ATOM 1113 CA ASP A 69 11.484 -2.495 7.990 1.00 1.00 C ATOM 1114 C ASP A 69 12.854 -1.951 8.411 1.00 1.00 C ATOM 1115 O ASP A 69 13.884 -2.466 8.025 1.00 1.00 O ATOM 1116 CB ASP A 69 11.425 -4.000 8.266 1.00 1.00 C ATOM 1117 CG ASP A 69 9.968 -4.435 8.437 1.00 1.00 C ATOM 1118 OD1 ASP A 69 9.293 -3.863 9.276 1.00 1.00 O ATOM 1119 OD2 ASP A 69 9.551 -5.334 7.724 1.00 1.00 O ATOM 0 H ASP A 69 11.960 -2.699 5.919 1.00 1.00 H new ATOM 0 HA ASP A 69 10.710 -1.979 8.559 1.00 1.00 H new ATOM 0 HB2 ASP A 69 11.885 -4.549 7.444 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.994 -4.237 9.165 1.00 1.00 H new ATOM 1124 N ARG A 70 12.872 -0.918 9.212 1.00 1.00 N ATOM 1125 CA ARG A 70 14.171 -0.347 9.671 1.00 1.00 C ATOM 1126 C ARG A 70 14.757 -1.240 10.767 1.00 1.00 C ATOM 1127 O ARG A 70 14.038 -1.851 11.532 1.00 1.00 O ATOM 1128 CB ARG A 70 13.936 1.058 10.235 1.00 1.00 C ATOM 1129 CG ARG A 70 15.284 1.773 10.441 1.00 1.00 C ATOM 1130 CD ARG A 70 15.538 2.755 9.293 1.00 1.00 C ATOM 1131 NE ARG A 70 14.784 4.017 9.545 1.00 1.00 N ATOM 1132 CZ ARG A 70 15.162 4.823 10.499 1.00 1.00 C ATOM 1133 NH1 ARG A 70 16.200 4.526 11.233 1.00 1.00 N ATOM 1134 NH2 ARG A 70 14.503 5.927 10.720 1.00 1.00 N ATOM 0 H ARG A 70 12.041 -0.445 9.568 1.00 1.00 H new ATOM 0 HA ARG A 70 14.864 -0.294 8.832 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.310 1.633 9.553 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.400 0.994 11.182 1.00 1.00 H new ATOM 0 HG2 ARG A 70 15.281 2.306 11.392 1.00 1.00 H new ATOM 0 HG3 ARG A 70 16.090 1.041 10.489 1.00 1.00 H new ATOM 0 HD2 ARG A 70 16.604 2.966 9.209 1.00 1.00 H new ATOM 0 HD3 ARG A 70 15.225 2.314 8.347 1.00 1.00 H new ATOM 0 HE ARG A 70 13.973 4.250 8.972 1.00 1.00 H new ATOM 0 HH11 ARG A 70 16.716 3.663 11.061 1.00 1.00 H new ATOM 0 HH12 ARG A 70 16.495 5.157 11.978 1.00 1.00 H new ATOM 0 HH21 ARG A 70 13.692 6.160 10.147 1.00 1.00 H new ATOM 0 HH22 ARG A 70 14.799 6.557 11.466 1.00 1.00 H new ATOM 1148 N ILE A 71 16.058 -1.320 10.853 1.00 1.00 N ATOM 1149 CA ILE A 71 16.682 -2.174 11.903 1.00 1.00 C ATOM 1150 C ILE A 71 18.195 -1.950 11.911 1.00 1.00 C ATOM 1151 O ILE A 71 18.815 -1.879 12.953 1.00 1.00 O ATOM 1152 CB ILE A 71 16.377 -3.648 11.611 1.00 1.00 C ATOM 1153 CG1 ILE A 71 17.148 -4.545 12.589 1.00 1.00 C ATOM 1154 CG2 ILE A 71 16.798 -3.984 10.179 1.00 1.00 C ATOM 1155 CD1 ILE A 71 16.850 -4.122 14.030 1.00 1.00 C ATOM 0 H ILE A 71 16.714 -0.832 10.243 1.00 1.00 H new ATOM 0 HA ILE A 71 16.275 -1.909 12.879 1.00 1.00 H new ATOM 0 HB ILE A 71 15.307 -3.820 11.730 1.00 1.00 H new ATOM 0 HG12 ILE A 71 16.865 -5.587 12.441 1.00 1.00 H new ATOM 0 HG13 ILE A 71 18.218 -4.475 12.394 1.00 1.00 H new ATOM 0 HG21 ILE A 71 16.581 -5.032 9.972 1.00 1.00 H new ATOM 0 HG22 ILE A 71 16.247 -3.355 9.480 1.00 1.00 H new ATOM 0 HG23 ILE A 71 17.867 -3.805 10.063 1.00 1.00 H new ATOM 0 HD11 ILE A 71 17.401 -4.763 14.719 1.00 1.00 H new ATOM 0 HD12 ILE A 71 17.156 -3.086 14.176 1.00 1.00 H new ATOM 0 HD13 ILE A 71 15.781 -4.216 14.223 1.00 1.00 H new ATOM 1167 N LYS A 72 18.797 -1.842 10.754 1.00 1.00 N ATOM 1168 CA LYS A 72 20.273 -1.627 10.687 1.00 1.00 C ATOM 1169 C LYS A 72 20.559 -0.213 10.176 1.00 1.00 C ATOM 1170 O LYS A 72 19.710 0.430 9.593 1.00 1.00 O ATOM 1171 CB LYS A 72 20.890 -2.653 9.730 1.00 1.00 C ATOM 1172 CG LYS A 72 22.397 -2.755 9.984 1.00 1.00 C ATOM 1173 CD LYS A 72 23.033 -3.695 8.956 1.00 1.00 C ATOM 1174 CE LYS A 72 22.417 -5.092 9.073 1.00 1.00 C ATOM 1175 NZ LYS A 72 22.150 -5.406 10.505 1.00 1.00 N ATOM 0 H LYS A 72 18.327 -1.894 9.850 1.00 1.00 H new ATOM 0 HA LYS A 72 20.707 -1.747 11.680 1.00 1.00 H new ATOM 0 HB2 LYS A 72 20.421 -3.626 9.873 1.00 1.00 H new ATOM 0 HB3 LYS A 72 20.705 -2.359 8.697 1.00 1.00 H new ATOM 0 HG2 LYS A 72 22.854 -1.767 9.919 1.00 1.00 H new ATOM 0 HG3 LYS A 72 22.581 -3.126 10.992 1.00 1.00 H new ATOM 0 HD2 LYS A 72 22.880 -3.304 7.950 1.00 1.00 H new ATOM 0 HD3 LYS A 72 24.110 -3.749 9.117 1.00 1.00 H new ATOM 0 HE2 LYS A 72 21.490 -5.140 8.501 1.00 1.00 H new ATOM 0 HE3 LYS A 72 23.092 -5.834 8.648 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 22.161 -6.437 10.642 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 22.884 -4.970 11.099 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 21.218 -5.031 10.775 1.00 1.00 H new ATOM 1189 N LEU A 73 21.753 0.273 10.384 1.00 1.00 N ATOM 1190 CA LEU A 73 22.101 1.640 9.907 1.00 1.00 C ATOM 1191 C LEU A 73 21.043 2.635 10.402 1.00 1.00 C ATOM 1192 O LEU A 73 20.048 2.249 10.982 1.00 1.00 O ATOM 1193 CB LEU A 73 22.136 1.620 8.367 1.00 1.00 C ATOM 1194 CG LEU A 73 23.573 1.816 7.865 1.00 1.00 C ATOM 1195 CD1 LEU A 73 24.344 0.500 7.990 1.00 1.00 C ATOM 1196 CD2 LEU A 73 23.545 2.250 6.398 1.00 1.00 C ATOM 0 H LEU A 73 22.504 -0.221 10.866 1.00 1.00 H new ATOM 0 HA LEU A 73 23.074 1.945 10.292 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.741 0.673 8.000 1.00 1.00 H new ATOM 0 HB3 LEU A 73 21.495 2.408 7.971 1.00 1.00 H new ATOM 0 HG LEU A 73 24.064 2.583 8.464 1.00 1.00 H new ATOM 0 HD11 LEU A 73 25.364 0.641 7.633 1.00 1.00 H new ATOM 0 HD12 LEU A 73 24.365 0.188 9.034 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.853 -0.268 7.392 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.565 2.390 6.040 1.00 1.00 H new ATOM 0 HD22 LEU A 73 23.053 1.482 5.801 1.00 1.00 H new ATOM 0 HD23 LEU A 73 22.997 3.188 6.306 1.00 1.00 H new ATOM 1208 N PRO A 74 21.248 3.909 10.170 1.00 1.00 N ATOM 1209 CA PRO A 74 20.287 4.964 10.593 1.00 1.00 C ATOM 1210 C PRO A 74 19.157 5.159 9.578 1.00 1.00 C ATOM 1211 O PRO A 74 18.046 5.500 9.934 1.00 1.00 O ATOM 1212 CB PRO A 74 21.162 6.215 10.678 1.00 1.00 C ATOM 1213 CG PRO A 74 22.233 6.011 9.652 1.00 1.00 C ATOM 1214 CD PRO A 74 22.422 4.494 9.492 1.00 1.00 C ATOM 0 HA PRO A 74 19.784 4.716 11.527 1.00 1.00 H new ATOM 0 HB2 PRO A 74 20.584 7.116 10.471 1.00 1.00 H new ATOM 0 HB3 PRO A 74 21.588 6.332 11.675 1.00 1.00 H new ATOM 0 HG2 PRO A 74 21.949 6.466 8.703 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.163 6.484 9.967 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.460 4.206 8.441 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.353 4.158 9.948 1.00 1.00 H new ATOM 1222 N CYS A 75 19.433 4.948 8.317 1.00 1.00 N ATOM 1223 CA CYS A 75 18.377 5.125 7.277 1.00 1.00 C ATOM 1224 C CYS A 75 18.390 3.930 6.319 1.00 1.00 C ATOM 1225 O CYS A 75 18.416 4.089 5.115 1.00 1.00 O ATOM 1226 CB CYS A 75 18.643 6.413 6.495 1.00 1.00 C ATOM 1227 SG CYS A 75 17.121 6.941 5.668 1.00 1.00 S ATOM 0 H CYS A 75 20.345 4.660 7.963 1.00 1.00 H new ATOM 0 HA CYS A 75 17.401 5.188 7.759 1.00 1.00 H new ATOM 0 HB2 CYS A 75 18.993 7.195 7.169 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.431 6.249 5.760 1.00 1.00 H new ATOM 1232 N HIS A 76 18.359 2.735 6.849 1.00 1.00 N ATOM 1233 CA HIS A 76 18.355 1.519 5.981 1.00 1.00 C ATOM 1234 C HIS A 76 17.121 0.682 6.314 1.00 1.00 C ATOM 1235 O HIS A 76 16.630 0.708 7.425 1.00 1.00 O ATOM 1236 CB HIS A 76 19.615 0.695 6.246 1.00 1.00 C ATOM 1237 CG HIS A 76 19.667 -0.461 5.285 1.00 1.00 C ATOM 1238 ND1 HIS A 76 18.892 -0.500 4.134 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.392 -1.628 5.289 1.00 1.00 C ATOM 1240 CE1 HIS A 76 19.166 -1.655 3.499 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.072 -2.376 4.162 1.00 1.00 N ATOM 0 H HIS A 76 18.336 2.548 7.851 1.00 1.00 H new ATOM 0 HA HIS A 76 18.334 1.814 4.932 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.502 1.318 6.130 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.614 0.329 7.273 1.00 1.00 H new ATOM 0 HD2 HIS A 76 21.101 -1.919 6.050 1.00 1.00 H new ATOM 0 HE1 HIS A 76 18.709 -1.960 2.569 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.450 -3.285 3.897 1.00 1.00 H new ATOM 1250 N TYR A 77 16.606 -0.054 5.364 1.00 1.00 N ATOM 1251 CA TYR A 77 15.393 -0.880 5.641 1.00 1.00 C ATOM 1252 C TYR A 77 15.550 -2.270 5.023 1.00 1.00 C ATOM 1253 O TYR A 77 16.352 -2.483 4.135 1.00 1.00 O ATOM 1254 CB TYR A 77 14.164 -0.192 5.040 1.00 1.00 C ATOM 1255 CG TYR A 77 14.321 1.305 5.150 1.00 1.00 C ATOM 1256 CD1 TYR A 77 15.037 2.009 4.174 1.00 1.00 C ATOM 1257 CD2 TYR A 77 13.749 1.990 6.229 1.00 1.00 C ATOM 1258 CE1 TYR A 77 15.180 3.398 4.277 1.00 1.00 C ATOM 1259 CE2 TYR A 77 13.892 3.378 6.331 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.608 4.082 5.355 1.00 1.00 C ATOM 1261 OH TYR A 77 14.748 5.449 5.456 1.00 1.00 O ATOM 0 H TYR A 77 16.970 -0.119 4.413 1.00 1.00 H new ATOM 0 HA TYR A 77 15.270 -0.983 6.719 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.047 -0.480 3.995 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.263 -0.513 5.562 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.479 1.481 3.342 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.198 1.447 6.982 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.732 3.941 3.524 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.450 3.907 7.163 1.00 1.00 H new ATOM 0 HH TYR A 77 15.494 5.658 6.057 1.00 1.00 H new ATOM 1271 N LYS A 78 14.776 -3.215 5.489 1.00 1.00 N ATOM 1272 CA LYS A 78 14.853 -4.600 4.942 1.00 1.00 C ATOM 1273 C LYS A 78 13.612 -4.856 4.082 1.00 1.00 C ATOM 1274 O LYS A 78 12.544 -4.337 4.351 1.00 1.00 O ATOM 1275 CB LYS A 78 14.898 -5.602 6.108 1.00 1.00 C ATOM 1276 CG LYS A 78 15.912 -6.713 5.809 1.00 1.00 C ATOM 1277 CD LYS A 78 15.492 -7.475 4.546 1.00 1.00 C ATOM 1278 CE LYS A 78 16.092 -8.882 4.570 1.00 1.00 C ATOM 1279 NZ LYS A 78 15.688 -9.614 3.336 1.00 1.00 N ATOM 0 H LYS A 78 14.089 -3.084 6.231 1.00 1.00 H new ATOM 0 HA LYS A 78 15.750 -4.719 4.335 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.171 -5.088 7.029 1.00 1.00 H new ATOM 0 HB3 LYS A 78 13.910 -6.034 6.265 1.00 1.00 H new ATOM 0 HG2 LYS A 78 16.905 -6.284 5.673 1.00 1.00 H new ATOM 0 HG3 LYS A 78 15.974 -7.398 6.654 1.00 1.00 H new ATOM 0 HD2 LYS A 78 14.405 -7.534 4.489 1.00 1.00 H new ATOM 0 HD3 LYS A 78 15.829 -6.940 3.658 1.00 1.00 H new ATOM 0 HE2 LYS A 78 17.179 -8.825 4.633 1.00 1.00 H new ATOM 0 HE3 LYS A 78 15.750 -9.420 5.454 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 16.095 -10.571 3.351 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 14.651 -9.680 3.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 16.036 -9.103 2.500 1.00 1.00 H new ATOM 1293 N LEU A 79 13.743 -5.646 3.051 1.00 1.00 N ATOM 1294 CA LEU A 79 12.574 -5.932 2.172 1.00 1.00 C ATOM 1295 C LEU A 79 11.760 -7.084 2.765 1.00 1.00 C ATOM 1296 O LEU A 79 12.229 -8.200 2.869 1.00 1.00 O ATOM 1297 CB LEU A 79 13.074 -6.319 0.772 1.00 1.00 C ATOM 1298 CG LEU A 79 12.001 -6.011 -0.284 1.00 1.00 C ATOM 1299 CD1 LEU A 79 10.676 -6.666 0.117 1.00 1.00 C ATOM 1300 CD2 LEU A 79 11.806 -4.492 -0.414 1.00 1.00 C ATOM 0 H LEU A 79 14.612 -6.107 2.779 1.00 1.00 H new ATOM 0 HA LEU A 79 11.944 -5.046 2.100 1.00 1.00 H new ATOM 0 HB2 LEU A 79 13.988 -5.772 0.541 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.323 -7.380 0.748 1.00 1.00 H new ATOM 0 HG LEU A 79 12.327 -6.411 -1.244 1.00 1.00 H new ATOM 0 HD11 LEU A 79 9.918 -6.445 -0.635 1.00 1.00 H new ATOM 0 HD12 LEU A 79 10.811 -7.745 0.189 1.00 1.00 H new ATOM 0 HD13 LEU A 79 10.354 -6.275 1.082 1.00 1.00 H new ATOM 0 HD21 LEU A 79 11.043 -4.286 -1.165 1.00 1.00 H new ATOM 0 HD22 LEU A 79 11.490 -4.082 0.545 1.00 1.00 H new ATOM 0 HD23 LEU A 79 12.746 -4.029 -0.715 1.00 1.00 H new ATOM 1312 N SER A 80 10.541 -6.819 3.149 1.00 1.00 N ATOM 1313 CA SER A 80 9.680 -7.890 3.730 1.00 1.00 C ATOM 1314 C SER A 80 8.285 -7.793 3.111 1.00 1.00 C ATOM 1315 O SER A 80 7.628 -6.775 3.200 1.00 1.00 O ATOM 1316 CB SER A 80 9.587 -7.700 5.244 1.00 1.00 C ATOM 1317 OG SER A 80 8.382 -8.286 5.718 1.00 1.00 O ATOM 0 H SER A 80 10.101 -5.901 3.085 1.00 1.00 H new ATOM 0 HA SER A 80 10.108 -8.870 3.518 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.446 -8.160 5.733 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.610 -6.639 5.491 1.00 1.00 H new ATOM 0 HG SER A 80 8.320 -8.167 6.689 1.00 1.00 H new ATOM 1323 N SER A 81 7.831 -8.839 2.472 1.00 1.00 N ATOM 1324 CA SER A 81 6.482 -8.801 1.835 1.00 1.00 C ATOM 1325 C SER A 81 5.755 -10.126 2.081 1.00 1.00 C ATOM 1326 O SER A 81 6.360 -11.128 2.405 1.00 1.00 O ATOM 1327 CB SER A 81 6.642 -8.578 0.328 1.00 1.00 C ATOM 1328 OG SER A 81 7.823 -7.823 0.090 1.00 1.00 O ATOM 0 H SER A 81 8.336 -9.718 2.364 1.00 1.00 H new ATOM 0 HA SER A 81 5.900 -7.988 2.268 1.00 1.00 H new ATOM 0 HB2 SER A 81 6.698 -9.536 -0.190 1.00 1.00 H new ATOM 0 HB3 SER A 81 5.774 -8.052 -0.068 1.00 1.00 H new ATOM 0 HG SER A 81 7.837 -7.523 -0.843 1.00 1.00 H new ATOM 1334 N SER A 82 4.459 -10.137 1.923 1.00 1.00 N ATOM 1335 CA SER A 82 3.689 -11.393 2.141 1.00 1.00 C ATOM 1336 C SER A 82 2.285 -11.228 1.571 1.00 1.00 C ATOM 1337 O SER A 82 1.847 -10.132 1.280 1.00 1.00 O ATOM 1338 CB SER A 82 3.607 -11.696 3.638 1.00 1.00 C ATOM 1339 OG SER A 82 2.971 -12.952 3.828 1.00 1.00 O ATOM 0 H SER A 82 3.900 -9.328 1.652 1.00 1.00 H new ATOM 0 HA SER A 82 4.191 -12.220 1.638 1.00 1.00 H new ATOM 0 HB2 SER A 82 4.606 -11.712 4.073 1.00 1.00 H new ATOM 0 HB3 SER A 82 3.049 -10.912 4.150 1.00 1.00 H new ATOM 0 HG SER A 82 2.918 -13.150 4.786 1.00 1.00 H new ATOM 1345 N THR A 83 1.583 -12.311 1.394 1.00 1.00 N ATOM 1346 CA THR A 83 0.221 -12.236 0.826 1.00 1.00 C ATOM 1347 C THR A 83 -0.817 -12.390 1.938 1.00 1.00 C ATOM 1348 O THR A 83 -0.881 -13.401 2.609 1.00 1.00 O ATOM 1349 CB THR A 83 0.078 -13.369 -0.187 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.054 -14.366 0.086 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.291 -12.821 -1.596 1.00 1.00 C ATOM 0 H THR A 83 1.903 -13.252 1.623 1.00 1.00 H new ATOM 0 HA THR A 83 0.060 -11.272 0.343 1.00 1.00 H new ATOM 0 HB THR A 83 -0.919 -13.803 -0.114 1.00 1.00 H new ATOM 0 HG1 THR A 83 0.965 -15.097 -0.561 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.189 -13.629 -2.320 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.453 -12.052 -1.804 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.289 -12.390 -1.672 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.632 -11.392 2.136 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.670 -11.478 3.202 1.00 1.00 C ATOM 1361 C ASN A 84 -3.772 -10.456 2.920 1.00 1.00 C ATOM 1362 O ASN A 84 -3.546 -9.455 2.268 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.033 -11.178 4.561 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.403 -9.785 4.534 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -1.230 -9.203 3.481 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -1.050 -9.219 5.655 1.00 1.00 N ATOM 0 H ASN A 84 -1.625 -10.520 1.606 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.096 -12.481 3.215 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -2.786 -11.233 5.347 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.275 -11.927 4.792 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -0.630 -8.290 5.647 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -1.194 -9.706 6.540 1.00 1.00 H new ATOM 1373 N THR A 85 -4.964 -10.697 3.401 1.00 1.00 N ATOM 1374 CA THR A 85 -6.071 -9.734 3.159 1.00 1.00 C ATOM 1375 C THR A 85 -5.764 -8.439 3.917 1.00 1.00 C ATOM 1376 O THR A 85 -4.912 -8.408 4.783 1.00 1.00 O ATOM 1377 CB THR A 85 -7.393 -10.347 3.659 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.158 -11.685 4.075 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.444 -10.343 2.543 1.00 1.00 C ATOM 0 H THR A 85 -5.215 -11.519 3.950 1.00 1.00 H new ATOM 0 HA THR A 85 -6.165 -9.517 2.095 1.00 1.00 H new ATOM 0 HB THR A 85 -7.764 -9.752 4.494 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.128 -12.271 3.290 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.371 -10.780 2.915 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.629 -9.318 2.221 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.080 -10.928 1.699 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.439 -7.369 3.599 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.168 -6.082 4.305 1.00 1.00 C ATOM 1389 C ILE A 86 -7.464 -5.273 4.404 1.00 1.00 C ATOM 1390 O ILE A 86 -8.452 -5.594 3.778 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.087 -5.288 3.536 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.722 -4.232 2.617 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.255 -6.245 2.679 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -6.704 -4.894 1.639 1.00 1.00 C ATOM 0 H ILE A 86 -7.165 -7.328 2.883 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.802 -6.282 5.312 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.456 -4.786 4.269 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.243 -3.486 3.216 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -4.944 -3.708 2.062 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.494 -5.682 2.139 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.773 -6.982 3.321 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.904 -6.753 1.966 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -7.145 -4.133 0.995 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -6.172 -5.623 1.027 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -7.492 -5.397 2.199 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.466 -4.223 5.186 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.692 -3.387 5.325 1.00 1.00 C ATOM 1408 C CYS A 87 -8.380 -1.976 4.823 1.00 1.00 C ATOM 1409 O CYS A 87 -7.377 -1.391 5.175 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.116 -3.345 6.802 1.00 1.00 C ATOM 1411 SG CYS A 87 -7.730 -3.853 7.851 1.00 1.00 S ATOM 0 H CYS A 87 -6.666 -3.909 5.736 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.508 -3.810 4.739 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.437 -2.338 7.070 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.968 -4.005 6.964 1.00 1.00 H new ATOM 0 HG CYS A 87 -8.093 -3.814 9.099 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.219 -1.430 3.983 1.00 1.00 N ATOM 1417 CA ILE A 88 -8.948 -0.065 3.449 1.00 1.00 C ATOM 1418 C ILE A 88 -10.275 0.666 3.217 1.00 1.00 C ATOM 1419 O ILE A 88 -11.294 0.057 2.957 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.154 -0.197 2.134 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.636 0.828 1.102 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.346 -1.600 1.556 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -7.646 0.896 -0.067 1.00 1.00 C ATOM 0 H ILE A 88 -10.076 -1.868 3.645 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.360 0.514 4.162 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.101 -0.018 2.353 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.625 0.552 0.737 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -8.731 1.809 1.568 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -7.784 -1.691 0.627 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -7.987 -2.340 2.271 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.404 -1.770 1.358 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -7.995 1.626 -0.797 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -6.665 1.193 0.304 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -7.574 -0.083 -0.540 1.00 1.00 H new ATOM 1435 N THR A 89 -10.268 1.973 3.306 1.00 1.00 N ATOM 1436 CA THR A 89 -11.523 2.745 3.087 1.00 1.00 C ATOM 1437 C THR A 89 -11.592 3.193 1.627 1.00 1.00 C ATOM 1438 O THR A 89 -10.647 3.755 1.093 1.00 1.00 O ATOM 1439 CB THR A 89 -11.535 3.971 4.004 1.00 1.00 C ATOM 1440 OG1 THR A 89 -11.809 3.561 5.336 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.609 4.957 3.541 1.00 1.00 C ATOM 0 H THR A 89 -9.445 2.536 3.521 1.00 1.00 H new ATOM 0 HA THR A 89 -12.384 2.117 3.315 1.00 1.00 H new ATOM 0 HB THR A 89 -10.561 4.459 3.964 1.00 1.00 H new ATOM 0 HG1 THR A 89 -12.620 3.011 5.349 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.612 5.827 4.198 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.396 5.274 2.520 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.585 4.474 3.575 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.705 2.939 0.983 1.00 1.00 N ATOM 1450 CA CYS A 90 -12.871 3.328 -0.450 1.00 1.00 C ATOM 1451 C CYS A 90 -14.120 4.207 -0.601 1.00 1.00 C ATOM 1452 O CYS A 90 -15.087 4.054 0.117 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.030 2.053 -1.291 1.00 1.00 C ATOM 1454 SG CYS A 90 -12.084 2.206 -2.826 1.00 1.00 S ATOM 0 H CYS A 90 -13.514 2.473 1.395 1.00 1.00 H new ATOM 0 HA CYS A 90 -11.999 3.888 -0.788 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.684 1.188 -0.725 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.083 1.885 -1.518 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.105 5.125 -1.534 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.289 6.009 -1.736 1.00 1.00 C ATOM 1461 C VAL A 91 -16.247 5.354 -2.737 1.00 1.00 C ATOM 1462 O VAL A 91 -16.316 4.145 -2.840 1.00 1.00 O ATOM 1463 CB VAL A 91 -14.827 7.372 -2.267 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -15.853 8.451 -1.905 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -13.483 7.728 -1.633 1.00 1.00 C ATOM 0 H VAL A 91 -13.322 5.299 -2.164 1.00 1.00 H new ATOM 0 HA VAL A 91 -15.805 6.154 -0.787 1.00 1.00 H new ATOM 0 HB VAL A 91 -14.728 7.319 -3.351 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -15.517 9.415 -2.286 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -16.816 8.201 -2.350 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -15.957 8.505 -0.821 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -13.149 8.696 -2.007 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -13.593 7.776 -0.550 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -12.747 6.967 -1.890 1.00 1.00 H new ATOM 1475 N ASN A 92 -16.990 6.137 -3.472 1.00 1.00 N ATOM 1476 CA ASN A 92 -17.947 5.554 -4.456 1.00 1.00 C ATOM 1477 C ASN A 92 -17.253 4.478 -5.280 1.00 1.00 C ATOM 1478 O ASN A 92 -17.872 3.557 -5.771 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.463 6.656 -5.383 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.448 7.544 -4.622 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -19.235 8.734 -4.492 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -20.526 7.015 -4.112 1.00 1.00 N ATOM 0 H ASN A 92 -16.975 7.156 -3.433 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.784 5.108 -3.919 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -17.630 7.253 -5.754 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -18.951 6.215 -6.252 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -21.190 7.600 -3.604 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -20.705 6.017 -4.221 1.00 1.00 H new ATOM 1489 N GLN A 93 -15.974 4.595 -5.425 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.207 3.589 -6.214 1.00 1.00 C ATOM 1491 C GLN A 93 -13.743 4.026 -6.309 1.00 1.00 C ATOM 1492 O GLN A 93 -13.107 3.869 -7.331 1.00 1.00 O ATOM 1493 CB GLN A 93 -15.795 3.475 -7.625 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.091 4.875 -8.175 1.00 1.00 C ATOM 1495 CD GLN A 93 -16.248 4.803 -9.695 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -15.993 5.768 -10.389 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -16.659 3.694 -10.245 1.00 1.00 N ATOM 0 H GLN A 93 -15.414 5.350 -5.029 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.271 2.620 -5.718 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.095 2.957 -8.280 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -16.709 2.882 -7.602 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.001 5.270 -7.723 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.283 5.558 -7.914 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -16.873 2.885 -9.662 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -16.767 3.636 -11.258 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.209 4.579 -5.251 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.786 5.037 -5.277 1.00 1.00 C ATOM 1508 C LEU A 94 -11.136 4.763 -3.905 1.00 1.00 C ATOM 1509 O LEU A 94 -11.608 5.242 -2.894 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.755 6.550 -5.562 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.113 6.823 -6.931 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -12.001 6.268 -8.055 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.940 8.335 -7.112 1.00 1.00 C ATOM 0 H LEU A 94 -13.697 4.734 -4.369 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.238 4.501 -6.052 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.768 6.951 -5.542 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -11.193 7.062 -4.781 1.00 1.00 H new ATOM 0 HG LEU A 94 -10.142 6.331 -6.976 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -11.535 6.468 -9.020 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -12.121 5.192 -7.926 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -12.978 6.749 -8.018 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.485 8.536 -8.082 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.914 8.821 -7.061 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.298 8.725 -6.322 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.058 4.011 -3.864 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.347 3.699 -2.586 1.00 1.00 C ATOM 1527 C PRO A 95 -8.478 4.874 -2.135 1.00 1.00 C ATOM 1528 O PRO A 95 -7.750 5.444 -2.922 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.486 2.491 -2.953 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.190 2.655 -4.406 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.394 3.376 -5.019 1.00 1.00 C ATOM 0 HA PRO A 95 -10.027 3.506 -1.757 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.569 2.466 -2.364 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.014 1.557 -2.761 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.277 3.232 -4.553 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.035 1.687 -4.882 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.083 4.116 -5.756 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.060 2.679 -5.528 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.556 5.267 -0.885 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.739 6.429 -0.441 1.00 1.00 C ATOM 1541 C ILE A 96 -7.182 6.230 0.975 1.00 1.00 C ATOM 1542 O ILE A 96 -6.212 6.866 1.339 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.607 7.690 -0.480 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.889 7.471 0.348 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -8.990 7.997 -1.935 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.702 8.019 1.763 1.00 1.00 C ATOM 0 H ILE A 96 -9.141 4.839 -0.168 1.00 1.00 H new ATOM 0 HA ILE A 96 -6.889 6.527 -1.117 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.046 8.525 -0.060 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.731 7.967 -0.134 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.127 6.408 0.390 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.608 8.894 -1.967 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.086 8.158 -2.523 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.548 7.157 -2.349 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.614 7.859 2.339 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.872 7.503 2.246 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.486 9.086 1.714 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.767 5.382 1.793 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.210 5.217 3.179 1.00 1.00 C ATOM 1560 C HIS A 97 -6.846 3.753 3.443 1.00 1.00 C ATOM 1561 O HIS A 97 -7.634 2.856 3.235 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.246 5.693 4.210 1.00 1.00 C ATOM 1563 CG HIS A 97 -7.636 6.741 5.104 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -7.153 6.442 6.371 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -7.425 8.087 4.928 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -6.679 7.584 6.904 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -6.822 8.613 6.065 1.00 1.00 N ATOM 0 H HIS A 97 -8.583 4.812 1.571 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.305 5.818 3.268 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.119 6.101 3.700 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.592 4.849 4.807 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -7.687 8.649 4.044 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -6.238 7.658 7.887 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -6.547 9.582 6.225 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.649 3.513 3.916 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.218 2.116 4.212 1.00 1.00 C ATOM 1578 C PHE A 98 -5.458 1.823 5.694 1.00 1.00 C ATOM 1579 O PHE A 98 -4.787 2.354 6.557 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.727 1.965 3.896 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.242 0.611 4.359 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.647 -0.545 3.682 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.383 0.512 5.461 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -3.197 -1.800 4.108 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.932 -0.743 5.887 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.339 -1.900 5.209 1.00 1.00 C ATOM 0 H PHE A 98 -4.950 4.230 4.110 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.789 1.416 3.602 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.560 2.075 2.825 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.159 2.754 4.390 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -4.307 -0.469 2.831 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -2.069 1.404 5.982 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -3.512 -2.692 3.587 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.271 -0.819 6.738 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.991 -2.869 5.536 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.410 0.987 5.997 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.693 0.667 7.424 1.00 1.00 C ATOM 1598 C ALA A 99 -5.474 -0.018 8.050 1.00 1.00 C ATOM 1599 O ALA A 99 -4.722 0.586 8.788 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.902 -0.269 7.500 1.00 1.00 C ATOM 0 H ALA A 99 -7.005 0.511 5.319 1.00 1.00 H new ATOM 0 HA ALA A 99 -6.907 1.587 7.969 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.113 -0.506 8.543 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.769 0.220 7.056 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.685 -1.188 6.955 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.275 -1.276 7.761 1.00 1.00 N ATOM 1607 CA GLY A 100 -4.107 -1.999 8.339 1.00 1.00 C ATOM 1608 C GLY A 100 -3.830 -3.257 7.515 1.00 1.00 C ATOM 1609 O GLY A 100 -4.201 -3.346 6.361 1.00 1.00 O ATOM 0 H GLY A 100 -5.871 -1.834 7.150 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.230 -1.352 8.341 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.308 -2.267 9.376 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.183 -4.232 8.098 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.880 -5.488 7.349 1.00 1.00 C ATOM 1615 C VAL A 101 -3.800 -6.609 7.834 1.00 1.00 C ATOM 1616 O VAL A 101 -4.334 -6.561 8.924 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.426 -5.893 7.595 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -0.502 -4.720 7.264 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -1.247 -6.286 9.065 1.00 1.00 C ATOM 0 H VAL A 101 -2.851 -4.213 9.062 1.00 1.00 H new ATOM 0 HA VAL A 101 -3.039 -5.317 6.284 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.175 -6.741 6.958 1.00 1.00 H new ATOM 0 HG11 VAL A 101 0.533 -5.011 7.440 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -0.628 -4.442 6.218 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -0.752 -3.869 7.898 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -0.211 -6.575 9.241 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -1.501 -5.438 9.702 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -1.902 -7.125 9.300 1.00 1.00 H new ATOM 1629 N GLY A 102 -3.980 -7.622 7.034 1.00 1.00 N ATOM 1630 CA GLY A 102 -4.855 -8.753 7.447 1.00 1.00 C ATOM 1631 C GLY A 102 -6.325 -8.367 7.273 1.00 1.00 C ATOM 1632 O GLY A 102 -6.897 -8.533 6.217 1.00 1.00 O ATOM 0 H GLY A 102 -3.558 -7.715 6.110 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.629 -9.636 6.849 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.660 -9.014 8.487 1.00 1.00 H new ATOM 1636 N SER A 103 -6.946 -7.859 8.302 1.00 1.00 N ATOM 1637 CA SER A 103 -8.380 -7.473 8.189 1.00 1.00 C ATOM 1638 C SER A 103 -8.775 -6.608 9.386 1.00 1.00 C ATOM 1639 O SER A 103 -8.373 -6.860 10.505 1.00 1.00 O ATOM 1640 CB SER A 103 -9.242 -8.735 8.169 1.00 1.00 C ATOM 1641 OG SER A 103 -8.678 -9.677 7.265 1.00 1.00 O ATOM 0 H SER A 103 -6.522 -7.695 9.215 1.00 1.00 H new ATOM 0 HA SER A 103 -8.533 -6.909 7.269 1.00 1.00 H new ATOM 0 HB2 SER A 103 -9.301 -9.164 9.169 1.00 1.00 H new ATOM 0 HB3 SER A 103 -10.260 -8.489 7.867 1.00 1.00 H new ATOM 0 HG SER A 103 -8.174 -9.203 6.571 1.00 1.00 H new