USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 712 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 85 HIS : no HE2:sc= -1.78 K(o=-1.7,f=-6.9!) USER MOD Set 1.2: A 86 CYS SG : rot -169:sc= 0.198 USER MOD Set 1.3: A 98 HIS : no HE2:sc= -0.086 K(o=-1.7,f=-3.8) USER MOD Single : A 6 THR OG1 : rot -12:sc= 0.588 USER MOD Single : A 8 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-1.7) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 1.51 (180deg=1.5) USER MOD Single : A 19 GLN : amide:sc= 0.62 K(o=0.62,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.4) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 31 ASN : amide:sc= -0.185 K(o=-0.19,f=-1.9) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0.43 K(o=0.43,f=-0.51) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -150:sc= -0.0655 USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 57 HIS : no HE2:sc= 0.15 K(o=0.15,f=-1.7) USER MOD Single : A 58 CYS SG : rot -140:sc= -0.722 USER MOD Single : A 66 HIS : no HD1:sc= -0.637 X(o=-0.64,f=-0.47) USER MOD Single : A 68 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.7) USER MOD Single : A 79 ASN : amide:sc= -0.137 K(o=-0.14,f=-1) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.32) USER MOD Single : A 100 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=-0.4) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 166:sc= -0.132 (180deg=-0.736) USER MOD Single : A 110 ASN : amide:sc= 0.585 K(o=0.58,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 6 -13.252 -5.258 3.520 1.00 0.00 N ATOM 60 CA THR A 6 -12.000 -4.567 3.817 1.00 0.00 C ATOM 61 C THR A 6 -10.853 -5.584 3.822 1.00 0.00 C ATOM 62 O THR A 6 -11.130 -6.780 3.955 1.00 0.00 O ATOM 63 CB THR A 6 -12.119 -3.856 5.179 1.00 0.00 C ATOM 64 OG1 THR A 6 -13.092 -4.441 6.028 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.449 -2.385 4.989 1.00 0.00 C ATOM 0 HA THR A 6 -11.793 -3.815 3.056 1.00 0.00 H new ATOM 0 HB THR A 6 -11.148 -3.967 5.661 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.644 -5.065 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.529 -1.901 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.659 -1.907 4.410 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.396 -2.290 4.458 1.00 0.00 H new ATOM 73 N PRO A 7 -9.578 -5.158 3.698 1.00 0.00 N ATOM 74 CA PRO A 7 -8.496 -6.096 3.438 1.00 0.00 C ATOM 75 C PRO A 7 -8.250 -6.984 4.659 1.00 0.00 C ATOM 76 O PRO A 7 -8.342 -8.207 4.551 1.00 0.00 O ATOM 77 CB PRO A 7 -7.284 -5.238 3.063 1.00 0.00 C ATOM 78 CG PRO A 7 -7.546 -3.904 3.762 1.00 0.00 C ATOM 79 CD PRO A 7 -9.068 -3.792 3.759 1.00 0.00 C ATOM 0 HA PRO A 7 -8.727 -6.787 2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.353 -5.691 3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.201 -5.114 1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.145 -3.897 4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.082 -3.074 3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.422 -3.284 4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.414 -3.209 2.905 1.00 0.00 H new ATOM 87 N HIS A 8 -8.004 -6.362 5.813 1.00 0.00 N ATOM 88 CA HIS A 8 -7.888 -6.979 7.121 1.00 0.00 C ATOM 89 C HIS A 8 -8.487 -5.988 8.121 1.00 0.00 C ATOM 90 O HIS A 8 -8.319 -4.784 7.913 1.00 0.00 O ATOM 91 CB HIS A 8 -6.400 -7.201 7.442 1.00 0.00 C ATOM 92 CG HIS A 8 -6.164 -8.254 8.485 1.00 0.00 C ATOM 93 ND1 HIS A 8 -5.476 -8.093 9.665 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.621 -9.542 8.434 1.00 0.00 C ATOM 95 CE1 HIS A 8 -5.561 -9.252 10.340 1.00 0.00 C ATOM 96 NE2 HIS A 8 -6.246 -10.161 9.630 1.00 0.00 N ATOM 0 H HIS A 8 -7.873 -5.351 5.854 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.401 -7.940 7.162 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.877 -7.482 6.528 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.965 -6.261 7.781 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.169 -9.996 7.622 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.137 -9.427 11.318 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.453 -11.120 9.909 1.00 0.00 H new ATOM 104 N PRO A 9 -9.105 -6.418 9.232 1.00 0.00 N ATOM 105 CA PRO A 9 -9.666 -5.479 10.194 1.00 0.00 C ATOM 106 C PRO A 9 -8.590 -4.759 11.012 1.00 0.00 C ATOM 107 O PRO A 9 -8.821 -3.632 11.452 1.00 0.00 O ATOM 108 CB PRO A 9 -10.596 -6.308 11.080 1.00 0.00 C ATOM 109 CG PRO A 9 -10.028 -7.723 10.981 1.00 0.00 C ATOM 110 CD PRO A 9 -9.462 -7.785 9.571 1.00 0.00 C ATOM 0 HA PRO A 9 -10.202 -4.677 9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.595 -5.948 12.109 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.627 -6.265 10.728 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.256 -7.898 11.731 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.800 -8.476 11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.592 -8.440 9.527 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.197 -8.183 8.871 1.00 0.00 H new ATOM 118 N GLN A 10 -7.432 -5.392 11.236 1.00 0.00 N ATOM 119 CA GLN A 10 -6.332 -4.808 12.008 1.00 0.00 C ATOM 120 C GLN A 10 -5.495 -3.833 11.171 1.00 0.00 C ATOM 121 O GLN A 10 -4.648 -3.147 11.736 1.00 0.00 O ATOM 122 CB GLN A 10 -5.435 -5.919 12.576 1.00 0.00 C ATOM 123 CG GLN A 10 -6.127 -6.774 13.649 1.00 0.00 C ATOM 124 CD GLN A 10 -5.986 -6.167 15.043 1.00 0.00 C ATOM 125 OE1 GLN A 10 -4.938 -6.284 15.672 1.00 0.00 O ATOM 126 NE2 GLN A 10 -7.009 -5.536 15.584 1.00 0.00 N ATOM 0 H GLN A 10 -7.232 -6.328 10.884 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.774 -4.242 12.828 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.110 -6.566 11.761 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.539 -5.469 13.003 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.184 -6.878 13.404 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.699 -7.777 13.645 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.881 -5.437 15.063 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.929 -5.146 16.523 1.00 0.00 H new ATOM 135 N LEU A 11 -5.697 -3.771 9.848 1.00 0.00 N ATOM 136 CA LEU A 11 -5.123 -2.705 9.035 1.00 0.00 C ATOM 137 C LEU A 11 -5.612 -1.344 9.541 1.00 0.00 C ATOM 138 O LEU A 11 -6.817 -1.153 9.722 1.00 0.00 O ATOM 139 CB LEU A 11 -5.536 -2.921 7.575 1.00 0.00 C ATOM 140 CG LEU A 11 -5.056 -1.781 6.655 1.00 0.00 C ATOM 141 CD1 LEU A 11 -4.332 -2.378 5.457 1.00 0.00 C ATOM 142 CD2 LEU A 11 -6.211 -0.893 6.190 1.00 0.00 C ATOM 0 H LEU A 11 -6.253 -4.447 9.325 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.036 -2.723 9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.127 -3.867 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.621 -3.000 7.515 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.376 -1.147 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.990 -1.577 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.475 -2.956 5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.012 -3.029 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.826 -0.104 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.933 -1.494 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.699 -0.447 7.057 1.00 0.00 H new ATOM 154 N ILE A 12 -4.698 -0.389 9.712 1.00 0.00 N ATOM 155 CA ILE A 12 -5.012 0.981 10.098 1.00 0.00 C ATOM 156 C ILE A 12 -4.655 1.893 8.928 1.00 0.00 C ATOM 157 O ILE A 12 -3.481 2.038 8.595 1.00 0.00 O ATOM 158 CB ILE A 12 -4.251 1.362 11.382 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.481 0.385 12.556 1.00 0.00 C ATOM 160 CG2 ILE A 12 -4.585 2.793 11.822 1.00 0.00 C ATOM 161 CD1 ILE A 12 -5.932 0.170 12.994 1.00 0.00 C ATOM 0 H ILE A 12 -3.699 -0.552 9.583 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.074 1.088 10.321 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.195 1.297 11.120 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.061 -0.583 12.281 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.916 0.746 13.415 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.033 3.033 12.731 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.305 3.491 11.033 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.655 2.874 12.016 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.961 -0.536 13.824 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.361 1.121 13.311 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.509 -0.228 12.159 1.00 0.00 H new ATOM 173 N TRP A 13 -5.670 2.503 8.311 1.00 0.00 N ATOM 174 CA TRP A 13 -5.490 3.424 7.195 1.00 0.00 C ATOM 175 C TRP A 13 -4.586 4.597 7.581 1.00 0.00 C ATOM 176 O TRP A 13 -4.662 5.077 8.723 1.00 0.00 O ATOM 177 CB TRP A 13 -6.850 3.959 6.735 1.00 0.00 C ATOM 178 CG TRP A 13 -7.850 2.907 6.382 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.898 2.507 7.138 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.861 2.062 5.199 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.555 1.472 6.502 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.908 1.105 5.342 1.00 0.00 C ATOM 183 CE3 TRP A 13 -7.070 1.993 4.035 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -9.116 0.082 4.406 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -7.277 0.976 3.088 1.00 0.00 C ATOM 186 CH2 TRP A 13 -8.276 0.008 3.283 1.00 0.00 C ATOM 0 H TRP A 13 -6.646 2.368 8.577 1.00 0.00 H new ATOM 0 HA TRP A 13 -5.014 2.876 6.382 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.265 4.584 7.526 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.698 4.601 5.868 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -9.178 2.931 8.091 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -10.410 1.035 6.847 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.297 2.729 3.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.909 -0.637 4.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.662 0.938 2.201 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.398 -0.793 2.569 1.00 0.00 H new ATOM 197 N PRO A 14 -3.843 5.161 6.617 1.00 0.00 N ATOM 198 CA PRO A 14 -3.829 4.769 5.208 1.00 0.00 C ATOM 199 C PRO A 14 -3.141 3.422 4.920 1.00 0.00 C ATOM 200 O PRO A 14 -2.543 2.820 5.811 1.00 0.00 O ATOM 201 CB PRO A 14 -3.085 5.887 4.501 1.00 0.00 C ATOM 202 CG PRO A 14 -2.234 6.554 5.572 1.00 0.00 C ATOM 203 CD PRO A 14 -3.100 6.389 6.813 1.00 0.00 C ATOM 0 HA PRO A 14 -4.854 4.626 4.865 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.465 5.496 3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.779 6.598 4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.264 6.069 5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.041 7.603 5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.487 6.336 7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.773 7.238 6.936 1.00 0.00 H new ATOM 211 N ALA A 15 -3.225 2.954 3.669 1.00 0.00 N ATOM 212 CA ALA A 15 -2.570 1.738 3.201 1.00 0.00 C ATOM 213 C ALA A 15 -1.809 1.969 1.895 1.00 0.00 C ATOM 214 O ALA A 15 -1.984 2.985 1.220 1.00 0.00 O ATOM 215 CB ALA A 15 -3.591 0.605 3.032 1.00 0.00 C ATOM 0 H ALA A 15 -3.764 3.425 2.942 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.843 1.447 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.083 -0.294 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.070 0.401 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.346 0.901 2.304 1.00 0.00 H new ATOM 221 N LEU A 16 -0.975 0.989 1.539 1.00 0.00 N ATOM 222 CA LEU A 16 -0.063 0.988 0.405 1.00 0.00 C ATOM 223 C LEU A 16 -0.061 -0.378 -0.260 1.00 0.00 C ATOM 224 O LEU A 16 0.525 -1.330 0.268 1.00 0.00 O ATOM 225 CB LEU A 16 1.370 1.309 0.863 1.00 0.00 C ATOM 226 CG LEU A 16 1.640 2.779 1.184 1.00 0.00 C ATOM 227 CD1 LEU A 16 3.125 2.926 1.542 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.218 3.645 -0.004 1.00 0.00 C ATOM 0 H LEU A 16 -0.919 0.122 2.073 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.400 1.748 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.592 0.714 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.063 0.991 0.084 1.00 0.00 H new ATOM 0 HG LEU A 16 1.055 3.119 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.342 3.968 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.354 2.305 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.736 2.609 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.410 4.694 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.788 3.355 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.154 3.505 -0.197 1.00 0.00 H new ATOM 240 N LEU A 17 -0.710 -0.476 -1.416 1.00 0.00 N ATOM 241 CA LEU A 17 -0.610 -1.632 -2.304 1.00 0.00 C ATOM 242 C LEU A 17 0.655 -1.521 -3.147 1.00 0.00 C ATOM 243 O LEU A 17 1.184 -0.420 -3.312 1.00 0.00 O ATOM 244 CB LEU A 17 -1.797 -1.593 -3.258 1.00 0.00 C ATOM 245 CG LEU A 17 -2.344 -2.898 -3.832 1.00 0.00 C ATOM 246 CD1 LEU A 17 -1.504 -3.939 -4.493 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.220 -3.652 -2.839 1.00 0.00 C ATOM 0 H LEU A 17 -1.329 0.254 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.592 -2.549 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.617 -1.096 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.519 -0.957 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.841 -2.413 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.136 -4.768 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.006 -3.507 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.756 -4.304 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.582 -4.572 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.637 -3.895 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.069 -3.029 -2.556 1.00 0.00 H new ATOM 259 N LYS A 18 1.071 -2.617 -3.787 1.00 0.00 N ATOM 260 CA LYS A 18 2.035 -2.562 -4.888 1.00 0.00 C ATOM 261 C LYS A 18 1.898 -3.786 -5.774 1.00 0.00 C ATOM 262 O LYS A 18 2.607 -4.773 -5.559 1.00 0.00 O ATOM 263 CB LYS A 18 3.468 -2.410 -4.358 1.00 0.00 C ATOM 264 CG LYS A 18 4.370 -1.704 -5.368 1.00 0.00 C ATOM 265 CD LYS A 18 4.800 -2.517 -6.591 1.00 0.00 C ATOM 266 CE LYS A 18 5.600 -3.772 -6.215 1.00 0.00 C ATOM 267 NZ LYS A 18 5.074 -4.966 -6.900 1.00 0.00 N ATOM 0 H LYS A 18 0.752 -3.559 -3.559 1.00 0.00 H new ATOM 0 HA LYS A 18 1.817 -1.682 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.454 -1.846 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.878 -3.394 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.854 -0.810 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.268 -1.371 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.916 -2.810 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.404 -1.889 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.648 -3.631 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.560 -3.922 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.624 -5.801 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.076 -5.103 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.151 -4.838 -7.929 1.00 0.00 H new ATOM 281 N GLN A 19 1.023 -3.726 -6.772 1.00 0.00 N ATOM 282 CA GLN A 19 0.602 -4.904 -7.508 1.00 0.00 C ATOM 283 C GLN A 19 1.768 -5.733 -8.029 1.00 0.00 C ATOM 284 O GLN A 19 2.769 -5.198 -8.522 1.00 0.00 O ATOM 285 CB GLN A 19 -0.363 -4.528 -8.633 1.00 0.00 C ATOM 286 CG GLN A 19 -1.656 -3.987 -8.021 1.00 0.00 C ATOM 287 CD GLN A 19 -2.825 -4.150 -8.954 1.00 0.00 C ATOM 288 OE1 GLN A 19 -3.200 -3.230 -9.676 1.00 0.00 O ATOM 289 NE2 GLN A 19 -3.426 -5.319 -8.923 1.00 0.00 N ATOM 0 H GLN A 19 0.589 -2.860 -7.090 1.00 0.00 H new ATOM 0 HA GLN A 19 0.074 -5.541 -6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.089 -3.778 -9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.576 -5.399 -9.253 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.862 -4.508 -7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.530 -2.932 -7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.079 -6.055 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.239 -5.490 -9.515 1.00 0.00 H new ATOM 298 N GLN A 20 1.658 -7.049 -7.861 1.00 0.00 N ATOM 299 CA GLN A 20 2.698 -7.986 -8.230 1.00 0.00 C ATOM 300 C GLN A 20 2.774 -7.967 -9.757 1.00 0.00 C ATOM 301 O GLN A 20 1.791 -8.241 -10.448 1.00 0.00 O ATOM 302 CB GLN A 20 2.461 -9.353 -7.553 1.00 0.00 C ATOM 303 CG GLN A 20 1.597 -10.389 -8.288 1.00 0.00 C ATOM 304 CD GLN A 20 2.360 -11.207 -9.336 1.00 0.00 C ATOM 305 OE1 GLN A 20 3.511 -10.917 -9.685 1.00 0.00 O ATOM 306 NE2 GLN A 20 1.784 -12.299 -9.806 1.00 0.00 N ATOM 0 H GLN A 20 0.832 -7.492 -7.460 1.00 0.00 H new ATOM 0 HA GLN A 20 3.688 -7.714 -7.863 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.435 -9.805 -7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.004 -9.168 -6.581 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.163 -11.070 -7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.768 -9.875 -8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.835 -12.539 -9.519 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.288 -12.902 -10.456 1.00 0.00 H new ATOM 315 N GLY A 21 3.916 -7.542 -10.288 1.00 0.00 N ATOM 316 CA GLY A 21 4.093 -7.347 -11.719 1.00 0.00 C ATOM 317 C GLY A 21 4.097 -5.881 -12.140 1.00 0.00 C ATOM 318 O GLY A 21 4.323 -5.632 -13.326 1.00 0.00 O ATOM 0 H GLY A 21 4.745 -7.323 -9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.032 -7.807 -12.026 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.295 -7.866 -12.249 1.00 0.00 H new ATOM 322 N CYS A 22 3.890 -4.922 -11.227 1.00 0.00 N ATOM 323 CA CYS A 22 4.170 -3.510 -11.464 1.00 0.00 C ATOM 324 C CYS A 22 5.167 -2.997 -10.430 1.00 0.00 C ATOM 325 O CYS A 22 5.519 -3.690 -9.469 1.00 0.00 O ATOM 326 CB CYS A 22 2.869 -2.682 -11.432 1.00 0.00 C ATOM 327 SG CYS A 22 2.707 -1.746 -12.976 1.00 0.00 S ATOM 0 H CYS A 22 3.520 -5.113 -10.296 1.00 0.00 H new ATOM 0 HA CYS A 22 4.609 -3.401 -12.455 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.010 -3.340 -11.302 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.880 -2.001 -10.581 1.00 0.00 H new ATOM 0 HG CYS A 22 1.609 -1.050 -12.949 1.00 0.00 H new ATOM 333 N ASN A 23 5.617 -1.761 -10.632 1.00 0.00 N ATOM 334 CA ASN A 23 6.526 -1.035 -9.750 1.00 0.00 C ATOM 335 C ASN A 23 5.763 0.113 -9.090 1.00 0.00 C ATOM 336 O ASN A 23 6.210 0.630 -8.073 1.00 0.00 O ATOM 337 CB ASN A 23 7.748 -0.493 -10.526 1.00 0.00 C ATOM 338 CG ASN A 23 8.402 -1.534 -11.422 1.00 0.00 C ATOM 339 OD1 ASN A 23 9.341 -2.220 -11.035 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.866 -1.727 -12.616 1.00 0.00 N ATOM 0 H ASN A 23 5.346 -1.215 -11.450 1.00 0.00 H new ATOM 0 HA ASN A 23 6.901 -1.718 -8.988 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.436 0.356 -11.135 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.485 -0.121 -9.815 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.234 -2.455 -13.229 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.085 -1.148 -12.924 1.00 0.00 H new ATOM 347 N GLU A 24 4.606 0.508 -9.631 1.00 0.00 N ATOM 348 CA GLU A 24 3.838 1.623 -9.100 1.00 0.00 C ATOM 349 C GLU A 24 3.120 1.161 -7.829 1.00 0.00 C ATOM 350 O GLU A 24 2.464 0.115 -7.832 1.00 0.00 O ATOM 351 CB GLU A 24 2.852 2.130 -10.165 1.00 0.00 C ATOM 352 CG GLU A 24 2.363 3.539 -9.809 1.00 0.00 C ATOM 353 CD GLU A 24 1.269 4.025 -10.758 1.00 0.00 C ATOM 354 OE1 GLU A 24 0.113 3.566 -10.602 1.00 0.00 O ATOM 355 OE2 GLU A 24 1.581 4.847 -11.643 1.00 0.00 O ATOM 0 H GLU A 24 4.183 0.062 -10.445 1.00 0.00 H new ATOM 0 HA GLU A 24 4.494 2.455 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.335 2.141 -11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.003 1.450 -10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.984 3.543 -8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.203 4.232 -9.840 1.00 0.00 H new ATOM 362 N LEU A 25 3.281 1.908 -6.734 1.00 0.00 N ATOM 363 CA LEU A 25 2.510 1.718 -5.509 1.00 0.00 C ATOM 364 C LEU A 25 1.164 2.423 -5.639 1.00 0.00 C ATOM 365 O LEU A 25 1.014 3.360 -6.423 1.00 0.00 O ATOM 366 CB LEU A 25 3.267 2.278 -4.298 1.00 0.00 C ATOM 367 CG LEU A 25 4.539 1.479 -3.966 1.00 0.00 C ATOM 368 CD1 LEU A 25 5.758 2.370 -3.857 1.00 0.00 C ATOM 369 CD2 LEU A 25 4.426 0.648 -2.680 1.00 0.00 C ATOM 0 H LEU A 25 3.958 2.669 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 25 2.355 0.650 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.536 3.316 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.607 2.277 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 25 4.654 0.793 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.632 1.763 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.918 2.885 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.602 3.104 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.360 0.112 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.228 1.309 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.610 -0.068 -2.780 1.00 0.00 H new ATOM 381 N LEU A 26 0.210 2.002 -4.816 1.00 0.00 N ATOM 382 CA LEU A 26 -1.189 2.427 -4.844 1.00 0.00 C ATOM 383 C LEU A 26 -1.601 3.023 -3.495 1.00 0.00 C ATOM 384 O LEU A 26 -1.849 2.245 -2.572 1.00 0.00 O ATOM 385 CB LEU A 26 -2.133 1.340 -5.384 1.00 0.00 C ATOM 386 CG LEU A 26 -3.170 1.854 -6.400 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.145 2.859 -5.782 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.541 2.432 -7.675 1.00 0.00 C ATOM 0 H LEU A 26 0.397 1.324 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.287 3.233 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.537 0.558 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.658 0.881 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.734 0.969 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.855 3.190 -6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.684 2.385 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.591 3.718 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.329 2.775 -8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.896 3.271 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.951 1.661 -8.172 1.00 0.00 H new ATOM 400 N PRO A 27 -1.430 4.341 -3.270 1.00 0.00 N ATOM 401 CA PRO A 27 -1.806 5.008 -2.026 1.00 0.00 C ATOM 402 C PRO A 27 -3.318 4.891 -1.806 1.00 0.00 C ATOM 403 O PRO A 27 -4.100 5.269 -2.682 1.00 0.00 O ATOM 404 CB PRO A 27 -1.343 6.461 -2.204 1.00 0.00 C ATOM 405 CG PRO A 27 -1.468 6.705 -3.705 1.00 0.00 C ATOM 406 CD PRO A 27 -1.192 5.337 -4.311 1.00 0.00 C ATOM 0 HA PRO A 27 -1.347 4.565 -1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.965 7.151 -1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.318 6.598 -1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.460 7.069 -3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.751 7.450 -4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.842 5.159 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.165 5.277 -4.672 1.00 0.00 H new ATOM 414 N LEU A 28 -3.737 4.388 -0.641 1.00 0.00 N ATOM 415 CA LEU A 28 -5.122 4.410 -0.187 1.00 0.00 C ATOM 416 C LEU A 28 -5.174 5.292 1.055 1.00 0.00 C ATOM 417 O LEU A 28 -4.796 4.842 2.138 1.00 0.00 O ATOM 418 CB LEU A 28 -5.674 3.005 0.136 1.00 0.00 C ATOM 419 CG LEU A 28 -5.810 1.974 -1.003 1.00 0.00 C ATOM 420 CD1 LEU A 28 -6.140 2.582 -2.365 1.00 0.00 C ATOM 421 CD2 LEU A 28 -4.599 1.052 -1.112 1.00 0.00 C ATOM 0 H LEU A 28 -3.104 3.945 0.025 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.750 4.800 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.032 2.567 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.660 3.134 0.583 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.673 1.375 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.218 1.789 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.088 3.117 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.350 3.275 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.750 0.348 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.706 1.646 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.475 0.503 -0.179 1.00 0.00 H new ATOM 433 N ARG A 29 -5.609 6.545 0.906 1.00 0.00 N ATOM 434 CA ARG A 29 -5.808 7.491 2.004 1.00 0.00 C ATOM 435 C ARG A 29 -6.690 6.878 3.087 1.00 0.00 C ATOM 436 O ARG A 29 -6.306 6.866 4.255 1.00 0.00 O ATOM 437 CB ARG A 29 -6.477 8.769 1.467 1.00 0.00 C ATOM 438 CG ARG A 29 -5.553 9.756 0.750 1.00 0.00 C ATOM 439 CD ARG A 29 -6.399 10.783 -0.016 1.00 0.00 C ATOM 440 NE ARG A 29 -5.582 11.865 -0.581 1.00 0.00 N ATOM 441 CZ ARG A 29 -5.053 12.904 0.074 1.00 0.00 C ATOM 442 NH1 ARG A 29 -5.191 13.049 1.386 1.00 0.00 N ATOM 443 NH2 ARG A 29 -4.375 13.805 -0.616 1.00 0.00 N ATOM 0 H ARG A 29 -5.838 6.939 -0.006 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.837 7.733 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.271 8.479 0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.951 9.286 2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.913 10.262 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.897 9.223 0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.938 10.280 -0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.147 11.207 0.654 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.398 11.819 -1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.713 12.357 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.775 13.853 1.857 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.265 13.698 -1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.962 14.607 -0.140 1.00 0.00 H new ATOM 457 N THR A 30 -7.867 6.372 2.726 1.00 0.00 N ATOM 458 CA THR A 30 -8.756 5.736 3.684 1.00 0.00 C ATOM 459 C THR A 30 -9.478 4.564 3.022 1.00 0.00 C ATOM 460 O THR A 30 -9.257 4.227 1.856 1.00 0.00 O ATOM 461 CB THR A 30 -9.657 6.805 4.352 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.500 6.271 5.356 1.00 0.00 O ATOM 463 CG2 THR A 30 -10.503 7.623 3.387 1.00 0.00 C ATOM 0 H THR A 30 -8.225 6.392 1.771 1.00 0.00 H new ATOM 0 HA THR A 30 -8.204 5.287 4.509 1.00 0.00 H new ATOM 0 HB THR A 30 -8.931 7.480 4.805 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.043 6.989 5.743 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.099 8.344 3.947 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.852 8.153 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.165 6.959 2.831 1.00 0.00 H new ATOM 471 N ASN A 31 -10.354 3.941 3.804 1.00 0.00 N ATOM 472 CA ASN A 31 -11.203 2.829 3.433 1.00 0.00 C ATOM 473 C ASN A 31 -11.962 3.132 2.148 1.00 0.00 C ATOM 474 O ASN A 31 -12.097 2.236 1.321 1.00 0.00 O ATOM 475 CB ASN A 31 -12.176 2.555 4.588 1.00 0.00 C ATOM 476 CG ASN A 31 -12.766 1.156 4.607 1.00 0.00 C ATOM 477 OD1 ASN A 31 -12.927 0.602 5.687 1.00 0.00 O ATOM 478 ND2 ASN A 31 -13.104 0.549 3.481 1.00 0.00 N ATOM 0 H ASN A 31 -10.494 4.222 4.774 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.592 1.946 3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.656 2.728 5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.991 3.277 4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.503 -0.389 3.507 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.966 1.019 2.587 1.00 0.00 H new ATOM 485 N ASP A 32 -12.435 4.368 1.963 1.00 0.00 N ATOM 486 CA ASP A 32 -13.148 4.788 0.748 1.00 0.00 C ATOM 487 C ASP A 32 -12.264 4.640 -0.492 1.00 0.00 C ATOM 488 O ASP A 32 -12.710 4.130 -1.517 1.00 0.00 O ATOM 489 CB ASP A 32 -13.659 6.229 0.913 1.00 0.00 C ATOM 490 CG ASP A 32 -13.737 7.049 -0.377 1.00 0.00 C ATOM 491 OD1 ASP A 32 -14.492 6.678 -1.306 1.00 0.00 O ATOM 492 OD2 ASP A 32 -13.133 8.147 -0.396 1.00 0.00 O ATOM 0 H ASP A 32 -12.335 5.111 2.654 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.008 4.135 0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.651 6.195 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.008 6.749 1.616 1.00 0.00 H new ATOM 497 N ASP A 33 -10.999 5.037 -0.390 1.00 0.00 N ATOM 498 CA ASP A 33 -10.037 5.015 -1.490 1.00 0.00 C ATOM 499 C ASP A 33 -9.694 3.579 -1.881 1.00 0.00 C ATOM 500 O ASP A 33 -9.353 3.316 -3.037 1.00 0.00 O ATOM 501 CB ASP A 33 -8.779 5.808 -1.110 1.00 0.00 C ATOM 502 CG ASP A 33 -9.150 7.235 -0.728 1.00 0.00 C ATOM 503 OD1 ASP A 33 -9.269 8.120 -1.604 1.00 0.00 O ATOM 504 OD2 ASP A 33 -9.415 7.434 0.477 1.00 0.00 O ATOM 0 H ASP A 33 -10.604 5.392 0.481 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.488 5.492 -2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.272 5.321 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.080 5.818 -1.947 1.00 0.00 H new ATOM 509 N TRP A 34 -9.807 2.638 -0.939 1.00 0.00 N ATOM 510 CA TRP A 34 -9.706 1.210 -1.208 1.00 0.00 C ATOM 511 C TRP A 34 -11.000 0.650 -1.789 1.00 0.00 C ATOM 512 O TRP A 34 -10.937 -0.180 -2.700 1.00 0.00 O ATOM 513 CB TRP A 34 -9.348 0.464 0.073 1.00 0.00 C ATOM 514 CG TRP A 34 -9.284 -1.019 -0.031 1.00 0.00 C ATOM 515 CD1 TRP A 34 -10.037 -1.919 0.639 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.311 -1.785 -0.784 1.00 0.00 C ATOM 517 NE1 TRP A 34 -9.526 -3.182 0.409 1.00 0.00 N ATOM 518 CE2 TRP A 34 -8.386 -3.137 -0.357 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.308 -1.450 -1.712 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -7.441 -4.093 -0.751 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.390 -2.409 -2.155 1.00 0.00 C ATOM 522 CH2 TRP A 34 -6.443 -3.726 -1.664 1.00 0.00 C ATOM 0 H TRP A 34 -9.973 2.855 0.044 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.920 1.067 -1.949 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.381 0.826 0.422 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.080 0.723 0.838 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.896 -1.689 1.252 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -9.944 -4.042 0.764 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.246 -0.439 -2.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -7.481 -5.098 -0.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.636 -2.136 -2.879 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -5.715 -4.454 -1.990 1.00 0.00 H new ATOM 533 N GLN A 35 -12.168 1.062 -1.282 1.00 0.00 N ATOM 534 CA GLN A 35 -13.449 0.600 -1.813 1.00 0.00 C ATOM 535 C GLN A 35 -13.521 0.955 -3.295 1.00 0.00 C ATOM 536 O GLN A 35 -13.809 0.073 -4.099 1.00 0.00 O ATOM 537 CB GLN A 35 -14.654 1.154 -1.031 1.00 0.00 C ATOM 538 CG GLN A 35 -14.673 0.695 0.440 1.00 0.00 C ATOM 539 CD GLN A 35 -16.035 0.220 0.939 1.00 0.00 C ATOM 540 OE1 GLN A 35 -16.732 0.952 1.639 1.00 0.00 O ATOM 541 NE2 GLN A 35 -16.423 -1.015 0.659 1.00 0.00 N ATOM 0 H GLN A 35 -12.249 1.716 -0.503 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.504 -0.482 -1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.635 2.243 -1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.575 0.835 -1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.953 -0.114 0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.338 1.520 1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.837 -1.614 0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.308 -1.367 1.025 1.00 0.00 H new ATOM 550 N ARG A 36 -13.148 2.188 -3.661 1.00 0.00 N ATOM 551 CA ARG A 36 -13.021 2.657 -5.044 1.00 0.00 C ATOM 552 C ARG A 36 -12.275 1.670 -5.922 1.00 0.00 C ATOM 553 O ARG A 36 -12.739 1.399 -7.025 1.00 0.00 O ATOM 554 CB ARG A 36 -12.271 3.991 -5.072 1.00 0.00 C ATOM 555 CG ARG A 36 -13.169 5.157 -4.664 1.00 0.00 C ATOM 556 CD ARG A 36 -12.323 6.315 -4.115 1.00 0.00 C ATOM 557 NE ARG A 36 -12.579 7.566 -4.831 1.00 0.00 N ATOM 558 CZ ARG A 36 -13.639 8.360 -4.675 1.00 0.00 C ATOM 559 NH1 ARG A 36 -14.524 8.149 -3.703 1.00 0.00 N ATOM 560 NH2 ARG A 36 -13.823 9.361 -5.522 1.00 0.00 N ATOM 0 H ARG A 36 -12.919 2.910 -2.978 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.032 2.769 -5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.414 3.940 -4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.880 4.167 -6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.748 5.496 -5.523 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.882 4.828 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.540 6.452 -3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.266 6.061 -4.194 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.880 7.858 -5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.398 7.368 -3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.328 8.769 -3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.159 9.516 -6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.629 9.977 -5.416 1.00 0.00 H new ATOM 696 N LEU A 45 -6.958 -7.368 -9.053 1.00 0.00 N ATOM 697 CA LEU A 45 -6.563 -7.768 -7.715 1.00 0.00 C ATOM 698 C LEU A 45 -6.166 -9.222 -7.838 1.00 0.00 C ATOM 699 O LEU A 45 -7.021 -10.058 -8.142 1.00 0.00 O ATOM 700 CB LEU A 45 -7.721 -7.594 -6.718 1.00 0.00 C ATOM 701 CG LEU A 45 -8.061 -6.115 -6.481 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.450 -5.993 -5.852 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.013 -5.420 -5.594 1.00 0.00 C ATOM 0 HA LEU A 45 -5.746 -7.155 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.603 -8.113 -7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.456 -8.061 -5.770 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.054 -5.614 -7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.684 -4.941 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.192 -6.429 -6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.466 -6.522 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.292 -4.376 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.967 -5.919 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.036 -5.472 -6.075 1.00 0.00 H new ATOM 715 N GLN A 46 -4.887 -9.533 -7.685 1.00 0.00 N ATOM 716 CA GLN A 46 -4.365 -10.887 -7.819 1.00 0.00 C ATOM 717 C GLN A 46 -3.687 -11.311 -6.519 1.00 0.00 C ATOM 718 O GLN A 46 -3.382 -10.475 -5.659 1.00 0.00 O ATOM 719 CB GLN A 46 -3.466 -10.968 -9.058 1.00 0.00 C ATOM 720 CG GLN A 46 -2.079 -10.366 -8.826 1.00 0.00 C ATOM 721 CD GLN A 46 -1.537 -9.620 -10.042 1.00 0.00 C ATOM 722 OE1 GLN A 46 -1.275 -10.202 -11.095 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.347 -8.317 -9.934 1.00 0.00 N ATOM 0 H GLN A 46 -4.171 -8.842 -7.461 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.170 -11.604 -7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.359 -12.011 -9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.949 -10.448 -9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.124 -9.682 -7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.385 -11.162 -8.557 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.566 -7.840 -9.059 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.981 -7.788 -10.726 1.00 0.00 H new ATOM 732 N TYR A 47 -3.455 -12.615 -6.388 1.00 0.00 N ATOM 733 CA TYR A 47 -2.757 -13.183 -5.250 1.00 0.00 C ATOM 734 C TYR A 47 -1.359 -12.586 -5.194 1.00 0.00 C ATOM 735 O TYR A 47 -0.697 -12.411 -6.219 1.00 0.00 O ATOM 736 CB TYR A 47 -2.728 -14.716 -5.361 1.00 0.00 C ATOM 737 CG TYR A 47 -4.082 -15.347 -5.653 1.00 0.00 C ATOM 738 CD1 TYR A 47 -5.213 -14.958 -4.913 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.225 -16.306 -6.675 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.477 -15.510 -5.177 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.491 -16.845 -6.965 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.624 -16.451 -6.216 1.00 0.00 C ATOM 743 OH TYR A 47 -7.831 -17.027 -6.462 1.00 0.00 O ATOM 0 H TYR A 47 -3.750 -13.307 -7.076 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.274 -12.941 -4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.031 -14.999 -6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.341 -15.129 -4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.108 -14.223 -4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.361 -16.628 -7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.332 -15.215 -4.587 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.599 -17.564 -7.764 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.749 -17.650 -7.214 1.00 0.00 H new ATOM 753 N GLY A 48 -0.918 -12.262 -3.984 1.00 0.00 N ATOM 754 CA GLY A 48 0.433 -11.786 -3.762 1.00 0.00 C ATOM 755 C GLY A 48 0.597 -10.290 -4.001 1.00 0.00 C ATOM 756 O GLY A 48 1.727 -9.808 -4.019 1.00 0.00 O ATOM 0 H GLY A 48 -1.485 -12.323 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.727 -12.017 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.113 -12.328 -4.419 1.00 0.00 H new ATOM 760 N ASP A 49 -0.486 -9.535 -4.197 1.00 0.00 N ATOM 761 CA ASP A 49 -0.394 -8.130 -4.609 1.00 0.00 C ATOM 762 C ASP A 49 0.258 -7.246 -3.538 1.00 0.00 C ATOM 763 O ASP A 49 0.872 -6.237 -3.876 1.00 0.00 O ATOM 764 CB ASP A 49 -1.795 -7.613 -4.966 1.00 0.00 C ATOM 765 CG ASP A 49 -2.063 -7.444 -6.469 1.00 0.00 C ATOM 766 OD1 ASP A 49 -1.124 -7.451 -7.292 1.00 0.00 O ATOM 767 OD2 ASP A 49 -3.246 -7.287 -6.849 1.00 0.00 O ATOM 0 H ASP A 49 -1.441 -9.873 -4.077 1.00 0.00 H new ATOM 0 HA ASP A 49 0.252 -8.077 -5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.535 -8.301 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.947 -6.652 -4.475 1.00 0.00 H new ATOM 772 N LYS A 50 0.164 -7.661 -2.267 1.00 0.00 N ATOM 773 CA LYS A 50 0.761 -7.092 -1.051 1.00 0.00 C ATOM 774 C LYS A 50 0.050 -5.822 -0.593 1.00 0.00 C ATOM 775 O LYS A 50 -0.374 -5.003 -1.403 1.00 0.00 O ATOM 776 CB LYS A 50 2.248 -6.757 -1.244 1.00 0.00 C ATOM 777 CG LYS A 50 2.970 -6.415 0.077 1.00 0.00 C ATOM 778 CD LYS A 50 4.465 -6.729 0.076 1.00 0.00 C ATOM 779 CE LYS A 50 4.680 -8.229 0.303 1.00 0.00 C ATOM 780 NZ LYS A 50 6.113 -8.552 0.375 1.00 0.00 N ATOM 0 H LYS A 50 -0.389 -8.488 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 50 0.650 -7.865 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.747 -7.604 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.338 -5.914 -1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.834 -5.354 0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.496 -6.965 0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.909 -6.428 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.966 -6.158 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.188 -8.535 1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.217 -8.793 -0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.231 -9.574 0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.575 -8.281 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.547 -8.030 1.163 1.00 0.00 H new ATOM 794 N LEU A 51 -0.020 -5.632 0.720 1.00 0.00 N ATOM 795 CA LEU A 51 -0.486 -4.403 1.337 1.00 0.00 C ATOM 796 C LEU A 51 0.470 -4.067 2.463 1.00 0.00 C ATOM 797 O LEU A 51 1.120 -4.952 3.024 1.00 0.00 O ATOM 798 CB LEU A 51 -1.911 -4.582 1.886 1.00 0.00 C ATOM 799 CG LEU A 51 -2.771 -3.308 1.869 1.00 0.00 C ATOM 800 CD1 LEU A 51 -3.048 -2.722 0.481 1.00 0.00 C ATOM 801 CD2 LEU A 51 -4.134 -3.679 2.451 1.00 0.00 C ATOM 0 H LEU A 51 0.252 -6.345 1.396 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.513 -3.598 0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.416 -5.353 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.848 -4.947 2.911 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.212 -2.558 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.662 -1.827 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.104 -2.464 0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.575 -3.458 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.778 -2.800 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.590 -4.459 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.007 -4.044 3.470 1.00 0.00 H new ATOM 813 N VAL A 52 0.482 -2.798 2.826 1.00 0.00 N ATOM 814 CA VAL A 52 1.087 -2.228 4.007 1.00 0.00 C ATOM 815 C VAL A 52 0.058 -1.271 4.594 1.00 0.00 C ATOM 816 O VAL A 52 -0.640 -0.606 3.829 1.00 0.00 O ATOM 817 CB VAL A 52 2.423 -1.568 3.619 1.00 0.00 C ATOM 818 CG1 VAL A 52 2.927 -0.610 4.699 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.485 -2.653 3.382 1.00 0.00 C ATOM 0 H VAL A 52 0.031 -2.085 2.253 1.00 0.00 H new ATOM 0 HA VAL A 52 1.340 -2.965 4.769 1.00 0.00 H new ATOM 0 HB VAL A 52 2.250 -0.993 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.872 -0.168 4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.192 0.179 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.077 -1.157 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.430 -2.184 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.620 -3.235 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.159 -3.311 2.576 1.00 0.00 H new ATOM 829 N ASP A 53 -0.052 -1.207 5.919 1.00 0.00 N ATOM 830 CA ASP A 53 -0.784 -0.170 6.650 1.00 0.00 C ATOM 831 C ASP A 53 0.159 0.855 7.296 1.00 0.00 C ATOM 832 O ASP A 53 1.384 0.713 7.255 1.00 0.00 O ATOM 833 CB ASP A 53 -1.715 -0.812 7.687 1.00 0.00 C ATOM 834 CG ASP A 53 -1.101 -1.180 9.038 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.139 -1.220 9.171 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.891 -1.453 9.971 1.00 0.00 O ATOM 0 H ASP A 53 0.379 -1.896 6.535 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.393 0.381 5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.544 -0.128 7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.137 -1.717 7.249 1.00 0.00 H new ATOM 841 N SER A 54 -0.410 1.882 7.929 1.00 0.00 N ATOM 842 CA SER A 54 0.351 2.946 8.587 1.00 0.00 C ATOM 843 C SER A 54 1.101 2.511 9.857 1.00 0.00 C ATOM 844 O SER A 54 1.848 3.314 10.420 1.00 0.00 O ATOM 845 CB SER A 54 -0.569 4.135 8.894 1.00 0.00 C ATOM 846 OG SER A 54 -0.295 5.210 8.015 1.00 0.00 O ATOM 0 H SER A 54 -1.421 2.000 8.000 1.00 0.00 H new ATOM 0 HA SER A 54 1.127 3.234 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.611 3.832 8.794 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.428 4.456 9.926 1.00 0.00 H new ATOM 0 HG SER A 54 -0.491 6.058 8.465 1.00 0.00 H new ATOM 852 N ASN A 55 0.931 1.274 10.327 1.00 0.00 N ATOM 853 CA ASN A 55 1.749 0.695 11.394 1.00 0.00 C ATOM 854 C ASN A 55 2.976 -0.016 10.827 1.00 0.00 C ATOM 855 O ASN A 55 3.764 -0.542 11.617 1.00 0.00 O ATOM 856 CB ASN A 55 0.964 -0.343 12.195 1.00 0.00 C ATOM 857 CG ASN A 55 -0.253 0.225 12.885 1.00 0.00 C ATOM 858 OD1 ASN A 55 -1.430 -0.173 12.452 1.00 0.00 O flip ATOM 859 ND2 ASN A 55 -0.149 1.023 13.814 1.00 0.00 N flip ATOM 0 H ASN A 55 0.214 0.640 9.974 1.00 0.00 H new ATOM 0 HA ASN A 55 2.047 1.526 12.033 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.652 -1.146 11.527 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.622 -0.787 12.942 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.774 1.317 14.133 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.986 1.391 14.266 1.00 0.00 H new ATOM 866 N PHE A 56 3.134 -0.047 9.497 1.00 0.00 N ATOM 867 CA PHE A 56 4.128 -0.804 8.748 1.00 0.00 C ATOM 868 C PHE A 56 3.829 -2.315 8.806 1.00 0.00 C ATOM 869 O PHE A 56 4.720 -3.123 8.524 1.00 0.00 O ATOM 870 CB PHE A 56 5.585 -0.436 9.127 1.00 0.00 C ATOM 871 CG PHE A 56 6.066 0.946 8.705 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.389 2.120 9.100 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.237 1.061 7.930 1.00 0.00 C ATOM 874 CE1 PHE A 56 5.854 3.383 8.698 1.00 0.00 C ATOM 875 CE2 PHE A 56 7.708 2.326 7.544 1.00 0.00 C ATOM 876 CZ PHE A 56 7.018 3.489 7.917 1.00 0.00 C ATOM 0 H PHE A 56 2.527 0.494 8.881 1.00 0.00 H new ATOM 0 HA PHE A 56 4.044 -0.511 7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.688 -0.518 10.209 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.250 -1.179 8.687 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.506 2.046 9.717 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.774 0.173 7.632 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.317 4.273 8.989 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.610 2.404 6.955 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.378 4.459 7.606 1.00 0.00 H new ATOM 886 N HIS A 57 2.602 -2.736 9.141 1.00 0.00 N ATOM 887 CA HIS A 57 2.181 -4.126 9.012 1.00 0.00 C ATOM 888 C HIS A 57 2.130 -4.492 7.529 1.00 0.00 C ATOM 889 O HIS A 57 1.336 -3.902 6.799 1.00 0.00 O ATOM 890 CB HIS A 57 0.789 -4.341 9.619 1.00 0.00 C ATOM 891 CG HIS A 57 0.567 -3.952 11.056 1.00 0.00 C ATOM 892 ND1 HIS A 57 -0.622 -3.461 11.549 1.00 0.00 N ATOM 893 CD2 HIS A 57 1.443 -4.071 12.100 1.00 0.00 C ATOM 894 CE1 HIS A 57 -0.491 -3.328 12.875 1.00 0.00 C ATOM 895 NE2 HIS A 57 0.744 -3.707 13.260 1.00 0.00 N ATOM 0 H HIS A 57 1.878 -2.118 9.508 1.00 0.00 H new ATOM 0 HA HIS A 57 2.895 -4.754 9.544 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.073 -3.788 9.011 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.543 -5.398 9.519 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.454 -3.239 11.002 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.475 -4.385 12.042 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.263 -2.969 13.540 1.00 0.00 H new ATOM 903 N CYS A 58 2.944 -5.447 7.069 1.00 0.00 N ATOM 904 CA CYS A 58 2.813 -6.003 5.727 1.00 0.00 C ATOM 905 C CYS A 58 1.743 -7.098 5.713 1.00 0.00 C ATOM 906 O CYS A 58 1.497 -7.755 6.731 1.00 0.00 O ATOM 907 CB CYS A 58 4.152 -6.590 5.265 1.00 0.00 C ATOM 908 SG CYS A 58 5.406 -5.291 5.155 1.00 0.00 S ATOM 0 H CYS A 58 3.705 -5.851 7.615 1.00 0.00 H new ATOM 0 HA CYS A 58 2.518 -5.204 5.047 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.478 -7.361 5.963 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.030 -7.070 4.294 1.00 0.00 H new ATOM 0 HG CYS A 58 6.139 -5.484 4.099 1.00 0.00 H new ATOM 914 N PHE A 59 1.168 -7.354 4.539 1.00 0.00 N ATOM 915 CA PHE A 59 0.163 -8.379 4.283 1.00 0.00 C ATOM 916 C PHE A 59 0.378 -8.959 2.890 1.00 0.00 C ATOM 917 O PHE A 59 0.928 -8.292 2.018 1.00 0.00 O ATOM 918 CB PHE A 59 -1.236 -7.755 4.358 1.00 0.00 C ATOM 919 CG PHE A 59 -1.553 -7.133 5.703 1.00 0.00 C ATOM 920 CD1 PHE A 59 -2.019 -7.929 6.767 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.314 -5.762 5.909 1.00 0.00 C ATOM 922 CE1 PHE A 59 -2.181 -7.368 8.047 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.514 -5.195 7.175 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.903 -6.003 8.256 1.00 0.00 C ATOM 0 H PHE A 59 1.404 -6.824 3.700 1.00 0.00 H new ATOM 0 HA PHE A 59 0.252 -9.168 5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.326 -6.992 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.979 -8.522 4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.252 -8.970 6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.976 -5.145 5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.518 -7.983 8.868 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.369 -4.135 7.320 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.989 -5.579 9.245 1.00 0.00 H new ATOM 934 N VAL A 60 -0.129 -10.159 2.656 1.00 0.00 N ATOM 935 CA VAL A 60 -0.246 -10.847 1.377 1.00 0.00 C ATOM 936 C VAL A 60 -1.736 -11.018 1.100 1.00 0.00 C ATOM 937 O VAL A 60 -2.543 -10.823 2.003 1.00 0.00 O ATOM 938 CB VAL A 60 0.567 -12.161 1.472 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.269 -13.215 0.390 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.062 -11.801 1.350 1.00 0.00 C ATOM 0 H VAL A 60 -0.501 -10.725 3.419 1.00 0.00 H new ATOM 0 HA VAL A 60 0.169 -10.301 0.530 1.00 0.00 H new ATOM 0 HB VAL A 60 0.284 -12.610 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.895 -14.092 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.781 -13.503 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.482 -12.797 -0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.661 -12.709 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.242 -11.314 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.341 -11.125 2.158 1.00 0.00 H new ATOM 950 N LEU A 61 -2.083 -11.297 -0.161 1.00 0.00 N ATOM 951 CA LEU A 61 -3.407 -11.771 -0.550 1.00 0.00 C ATOM 952 C LEU A 61 -3.265 -13.213 -1.019 1.00 0.00 C ATOM 953 O LEU A 61 -2.377 -13.518 -1.826 1.00 0.00 O ATOM 954 CB LEU A 61 -4.006 -10.906 -1.675 1.00 0.00 C ATOM 955 CG LEU A 61 -5.469 -11.300 -1.988 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.463 -10.916 -0.882 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.907 -10.645 -3.302 1.00 0.00 C ATOM 0 H LEU A 61 -1.441 -11.197 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.083 -11.704 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.967 -9.856 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.401 -11.011 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.484 -12.387 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.467 -11.224 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.185 -11.415 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.443 -9.836 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.938 -10.923 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.836 -9.561 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.260 -10.984 -4.111 1.00 0.00 H new ATOM 969 N GLU A 62 -4.152 -14.072 -0.541 1.00 0.00 N ATOM 970 CA GLU A 62 -4.127 -15.519 -0.685 1.00 0.00 C ATOM 971 C GLU A 62 -5.316 -15.979 -1.559 1.00 0.00 C ATOM 972 O GLU A 62 -6.062 -15.136 -2.079 1.00 0.00 O ATOM 973 CB GLU A 62 -4.138 -16.103 0.730 1.00 0.00 C ATOM 974 CG GLU A 62 -2.833 -15.810 1.479 1.00 0.00 C ATOM 975 CD GLU A 62 -2.598 -14.462 2.150 1.00 0.00 C ATOM 976 OE1 GLU A 62 -3.492 -13.596 2.161 1.00 0.00 O ATOM 977 OE2 GLU A 62 -1.482 -14.343 2.718 1.00 0.00 O ATOM 0 H GLU A 62 -4.962 -13.756 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.234 -15.874 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.978 -15.688 1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.292 -17.181 0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.730 -16.573 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.018 -15.960 0.771 1.00 0.00 H new ATOM 984 N GLU A 63 -5.561 -17.283 -1.696 1.00 0.00 N ATOM 985 CA GLU A 63 -6.676 -17.830 -2.479 1.00 0.00 C ATOM 986 C GLU A 63 -8.032 -17.730 -1.759 1.00 0.00 C ATOM 987 O GLU A 63 -9.087 -17.866 -2.388 1.00 0.00 O ATOM 988 CB GLU A 63 -6.449 -19.313 -2.817 1.00 0.00 C ATOM 989 CG GLU A 63 -5.025 -19.745 -3.185 1.00 0.00 C ATOM 990 CD GLU A 63 -4.250 -20.288 -1.980 1.00 0.00 C ATOM 991 OE1 GLU A 63 -4.057 -19.546 -0.987 1.00 0.00 O ATOM 992 OE2 GLU A 63 -3.828 -21.467 -2.025 1.00 0.00 O ATOM 0 H GLU A 63 -4.983 -18.002 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.706 -17.221 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.770 -19.906 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.105 -19.573 -3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.069 -20.510 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.488 -18.895 -3.606 1.00 0.00 H new ATOM 999 N ASP A 64 -8.002 -17.537 -0.440 1.00 0.00 N ATOM 1000 CA ASP A 64 -9.122 -17.642 0.505 1.00 0.00 C ATOM 1001 C ASP A 64 -10.089 -16.451 0.441 1.00 0.00 C ATOM 1002 O ASP A 64 -11.154 -16.443 1.064 1.00 0.00 O ATOM 1003 CB ASP A 64 -8.521 -17.708 1.910 1.00 0.00 C ATOM 1004 CG ASP A 64 -9.400 -18.496 2.871 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -9.375 -19.743 2.768 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -10.009 -17.908 3.792 1.00 0.00 O ATOM 0 H ASP A 64 -7.134 -17.285 0.033 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.701 -18.529 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.534 -18.169 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.382 -16.697 2.292 1.00 0.00 H new ATOM 1011 N ALA A 65 -9.698 -15.432 -0.323 1.00 0.00 N ATOM 1012 CA ALA A 65 -10.168 -14.058 -0.330 1.00 0.00 C ATOM 1013 C ALA A 65 -9.884 -13.280 0.975 1.00 0.00 C ATOM 1014 O ALA A 65 -10.480 -12.212 1.155 1.00 0.00 O ATOM 1015 CB ALA A 65 -11.628 -13.974 -0.790 1.00 0.00 C ATOM 0 H ALA A 65 -8.969 -15.569 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.566 -13.533 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.952 -12.933 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.715 -14.376 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.257 -14.553 -0.113 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.971 -13.753 1.835 1.00 0.00 N ATOM 1022 CA HIS A 66 -8.362 -13.007 2.933 1.00 0.00 C ATOM 1023 C HIS A 66 -7.037 -12.346 2.583 1.00 0.00 C ATOM 1024 O HIS A 66 -6.384 -12.721 1.613 1.00 0.00 O ATOM 1025 CB HIS A 66 -8.313 -13.840 4.226 1.00 0.00 C ATOM 1026 CG HIS A 66 -7.399 -15.047 4.264 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -7.721 -16.241 4.868 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -6.120 -15.168 3.781 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -6.664 -17.062 4.762 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -5.654 -16.444 4.130 1.00 0.00 N ATOM 0 H HIS A 66 -8.625 -14.711 1.777 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.025 -12.164 3.126 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.022 -13.176 5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.325 -14.182 4.441 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.572 -14.417 3.232 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.631 -18.076 5.133 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.728 -16.828 3.940 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.645 -11.379 3.415 1.00 0.00 N ATOM 1039 CA TRP A 67 -5.300 -10.843 3.481 1.00 0.00 C ATOM 1040 C TRP A 67 -4.676 -11.384 4.766 1.00 0.00 C ATOM 1041 O TRP A 67 -5.075 -10.977 5.864 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.315 -9.305 3.478 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.634 -8.631 2.174 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.852 -8.454 1.619 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.695 -8.109 1.197 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.724 -7.841 0.384 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.403 -7.641 0.055 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.296 -8.055 1.144 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.747 -7.157 -1.091 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.627 -7.634 -0.006 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.340 -7.157 -1.121 1.00 0.00 C ATOM 0 H TRP A 67 -7.282 -10.939 4.079 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.719 -11.146 2.610 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -6.042 -8.971 4.219 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.337 -8.956 3.810 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.788 -8.747 2.071 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.510 -7.572 -0.207 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.723 -8.346 2.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.314 -6.791 -1.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.548 -7.675 -0.040 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.813 -6.794 -1.991 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.756 -12.337 4.662 1.00 0.00 N ATOM 1063 CA HIS A 68 -3.011 -12.864 5.800 1.00 0.00 C ATOM 1064 C HIS A 68 -1.761 -11.987 6.036 1.00 0.00 C ATOM 1065 O HIS A 68 -1.312 -11.269 5.134 1.00 0.00 O ATOM 1066 CB HIS A 68 -2.709 -14.354 5.556 1.00 0.00 C ATOM 1067 CG HIS A 68 -2.989 -15.268 6.719 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -2.079 -16.110 7.320 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -4.201 -15.451 7.327 1.00 0.00 C ATOM 1070 CE1 HIS A 68 -2.721 -16.777 8.292 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -4.011 -16.400 8.339 1.00 0.00 N ATOM 0 H HIS A 68 -3.503 -12.771 3.774 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.591 -12.818 6.722 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.296 -14.691 4.701 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.659 -14.454 5.281 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.128 -14.957 7.074 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.267 -17.510 8.942 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.718 -16.741 8.990 1.00 0.00 H new ATOM 1079 N PRO A 69 -1.198 -11.962 7.258 1.00 0.00 N ATOM 1080 CA PRO A 69 -0.127 -11.039 7.602 1.00 0.00 C ATOM 1081 C PRO A 69 1.226 -11.519 7.091 1.00 0.00 C ATOM 1082 O PRO A 69 1.476 -12.717 6.947 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.135 -10.983 9.124 1.00 0.00 C ATOM 1084 CG PRO A 69 -0.545 -12.403 9.500 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.606 -12.701 8.443 1.00 0.00 C ATOM 0 HA PRO A 69 -0.284 -10.062 7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.844 -10.722 9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.841 -10.243 9.500 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.292 -13.099 9.449 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.946 -12.460 10.512 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.665 -13.770 8.237 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.594 -12.387 8.780 1.00 0.00 H new ATOM 1093 N ALA A 70 2.140 -10.567 6.913 1.00 0.00 N ATOM 1094 CA ALA A 70 3.478 -10.782 6.387 1.00 0.00 C ATOM 1095 C ALA A 70 4.531 -10.084 7.260 1.00 0.00 C ATOM 1096 O ALA A 70 5.574 -9.669 6.749 1.00 0.00 O ATOM 1097 CB ALA A 70 3.492 -10.349 4.917 1.00 0.00 C ATOM 0 H ALA A 70 1.958 -9.590 7.141 1.00 0.00 H new ATOM 0 HA ALA A 70 3.747 -11.838 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.488 -10.502 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.770 -10.942 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.228 -9.294 4.846 1.00 0.00 H new ATOM 1103 N ALA A 71 4.269 -9.992 8.572 1.00 0.00 N ATOM 1104 CA ALA A 71 5.101 -9.396 9.621 1.00 0.00 C ATOM 1105 C ALA A 71 5.135 -7.855 9.520 1.00 0.00 C ATOM 1106 O ALA A 71 4.679 -7.291 8.523 1.00 0.00 O ATOM 1107 CB ALA A 71 6.490 -10.070 9.616 1.00 0.00 C ATOM 0 H ALA A 71 3.399 -10.363 8.955 1.00 0.00 H new ATOM 0 HA ALA A 71 4.660 -9.588 10.599 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.111 -9.629 10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.377 -11.138 9.803 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.964 -9.920 8.646 1.00 0.00 H new ATOM 1113 N PRO A 72 5.597 -7.123 10.555 1.00 0.00 N ATOM 1114 CA PRO A 72 5.865 -5.692 10.424 1.00 0.00 C ATOM 1115 C PRO A 72 7.111 -5.471 9.560 1.00 0.00 C ATOM 1116 O PRO A 72 7.733 -6.437 9.110 1.00 0.00 O ATOM 1117 CB PRO A 72 6.054 -5.180 11.851 1.00 0.00 C ATOM 1118 CG PRO A 72 6.614 -6.393 12.584 1.00 0.00 C ATOM 1119 CD PRO A 72 5.932 -7.576 11.902 1.00 0.00 C ATOM 0 HA PRO A 72 5.055 -5.155 9.930 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.741 -4.335 11.888 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.113 -4.845 12.287 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.699 -6.450 12.493 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.384 -6.358 13.649 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.593 -8.442 11.870 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.037 -7.878 12.446 1.00 0.00 H new ATOM 1127 N LEU A 73 7.511 -4.218 9.350 1.00 0.00 N ATOM 1128 CA LEU A 73 8.616 -3.890 8.448 1.00 0.00 C ATOM 1129 C LEU A 73 9.588 -2.887 9.083 1.00 0.00 C ATOM 1130 O LEU A 73 9.143 -2.061 9.886 1.00 0.00 O ATOM 1131 CB LEU A 73 7.999 -3.343 7.148 1.00 0.00 C ATOM 1132 CG LEU A 73 8.897 -3.418 5.897 1.00 0.00 C ATOM 1133 CD1 LEU A 73 9.136 -4.851 5.401 1.00 0.00 C ATOM 1134 CD2 LEU A 73 8.296 -2.621 4.736 1.00 0.00 C ATOM 0 H LEU A 73 7.083 -3.407 9.796 1.00 0.00 H new ATOM 0 HA LEU A 73 9.208 -4.780 8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.079 -3.892 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.720 -2.302 7.310 1.00 0.00 H new ATOM 0 HG LEU A 73 9.851 -2.994 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.776 -4.829 4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.621 -5.432 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.182 -5.312 5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.951 -2.692 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.316 -3.027 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.192 -1.576 5.027 1.00 0.00 H new ATOM 1146 N PRO A 74 10.889 -2.897 8.731 1.00 0.00 N ATOM 1147 CA PRO A 74 11.793 -1.801 9.065 1.00 0.00 C ATOM 1148 C PRO A 74 11.341 -0.489 8.407 1.00 0.00 C ATOM 1149 O PRO A 74 10.655 -0.527 7.382 1.00 0.00 O ATOM 1150 CB PRO A 74 13.171 -2.236 8.552 1.00 0.00 C ATOM 1151 CG PRO A 74 12.869 -3.258 7.463 1.00 0.00 C ATOM 1152 CD PRO A 74 11.620 -3.936 8.014 1.00 0.00 C ATOM 0 HA PRO A 74 11.809 -1.606 10.137 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.733 -1.389 8.157 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.772 -2.672 9.350 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.686 -2.786 6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.689 -3.962 7.323 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.016 -4.356 7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.882 -4.759 8.678 1.00 0.00 H new ATOM 1160 N PRO A 75 11.780 0.674 8.916 1.00 0.00 N ATOM 1161 CA PRO A 75 11.367 1.966 8.379 1.00 0.00 C ATOM 1162 C PRO A 75 11.928 2.187 6.976 1.00 0.00 C ATOM 1163 O PRO A 75 11.250 2.692 6.087 1.00 0.00 O ATOM 1164 CB PRO A 75 11.898 3.006 9.364 1.00 0.00 C ATOM 1165 CG PRO A 75 13.080 2.312 10.038 1.00 0.00 C ATOM 1166 CD PRO A 75 12.639 0.850 10.079 1.00 0.00 C ATOM 0 HA PRO A 75 10.284 2.031 8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.209 3.917 8.853 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.137 3.292 10.090 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.001 2.440 9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.264 2.707 11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.497 0.179 10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.103 0.627 11.001 1.00 0.00 H new ATOM 1174 N GLU A 76 13.164 1.750 6.742 1.00 0.00 N ATOM 1175 CA GLU A 76 13.814 1.799 5.445 1.00 0.00 C ATOM 1176 C GLU A 76 13.215 0.753 4.504 1.00 0.00 C ATOM 1177 O GLU A 76 13.458 0.801 3.298 1.00 0.00 O ATOM 1178 CB GLU A 76 15.326 1.625 5.634 1.00 0.00 C ATOM 1179 CG GLU A 76 15.707 0.319 6.339 1.00 0.00 C ATOM 1180 CD GLU A 76 17.215 0.183 6.538 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.863 1.149 6.999 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.758 -0.905 6.257 1.00 0.00 O ATOM 0 H GLU A 76 13.751 1.343 7.470 1.00 0.00 H new ATOM 0 HA GLU A 76 13.643 2.768 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.812 1.658 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.711 2.466 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.210 0.274 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.343 -0.526 5.754 1.00 0.00 H new ATOM 1189 N GLY A 77 12.398 -0.164 5.030 1.00 0.00 N ATOM 1190 CA GLY A 77 11.645 -1.091 4.223 1.00 0.00 C ATOM 1191 C GLY A 77 10.549 -0.378 3.429 1.00 0.00 C ATOM 1192 O GLY A 77 10.214 -0.833 2.336 1.00 0.00 O ATOM 0 H GLY A 77 12.249 -0.274 6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.316 -1.607 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.197 -1.852 4.862 1.00 0.00 H new ATOM 1196 N LEU A 78 10.021 0.747 3.934 1.00 0.00 N ATOM 1197 CA LEU A 78 9.121 1.614 3.174 1.00 0.00 C ATOM 1198 C LEU A 78 9.875 2.167 1.970 1.00 0.00 C ATOM 1199 O LEU A 78 9.432 2.000 0.838 1.00 0.00 O ATOM 1200 CB LEU A 78 8.572 2.745 4.062 1.00 0.00 C ATOM 1201 CG LEU A 78 7.754 3.817 3.319 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.540 3.225 2.593 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.268 4.873 4.318 1.00 0.00 C ATOM 0 H LEU A 78 10.208 1.077 4.881 1.00 0.00 H new ATOM 0 HA LEU A 78 8.263 1.039 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.946 2.305 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.409 3.231 4.564 1.00 0.00 H new ATOM 0 HG LEU A 78 8.408 4.263 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.996 4.021 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.876 2.491 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.883 2.742 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.689 5.632 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.642 4.398 5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.127 5.341 4.800 1.00 0.00 H new ATOM 1215 N ASN A 79 11.029 2.792 2.221 1.00 0.00 N ATOM 1216 CA ASN A 79 11.919 3.339 1.194 1.00 0.00 C ATOM 1217 C ASN A 79 12.218 2.310 0.098 1.00 0.00 C ATOM 1218 O ASN A 79 12.191 2.648 -1.080 1.00 0.00 O ATOM 1219 CB ASN A 79 13.231 3.834 1.830 1.00 0.00 C ATOM 1220 CG ASN A 79 13.316 5.349 1.888 1.00 0.00 C ATOM 1221 OD1 ASN A 79 14.055 5.959 1.123 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.600 5.994 2.794 1.00 0.00 N ATOM 0 H ASN A 79 11.379 2.935 3.168 1.00 0.00 H new ATOM 0 HA ASN A 79 11.407 4.181 0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.317 3.430 2.839 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.076 3.448 1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.659 7.010 2.862 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.989 5.475 3.425 1.00 0.00 H new ATOM 1229 N ASP A 80 12.499 1.063 0.477 1.00 0.00 N ATOM 1230 CA ASP A 80 12.768 -0.073 -0.415 1.00 0.00 C ATOM 1231 C ASP A 80 11.589 -0.395 -1.333 1.00 0.00 C ATOM 1232 O ASP A 80 11.815 -0.746 -2.489 1.00 0.00 O ATOM 1233 CB ASP A 80 13.087 -1.281 0.479 1.00 0.00 C ATOM 1234 CG ASP A 80 13.310 -2.612 -0.232 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.324 -3.367 -0.414 1.00 0.00 O ATOM 1236 OD2 ASP A 80 14.486 -2.989 -0.447 1.00 0.00 O ATOM 0 H ASP A 80 12.548 0.801 1.462 1.00 0.00 H new ATOM 0 HA ASP A 80 13.601 0.177 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.980 -1.050 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.269 -1.406 1.189 1.00 0.00 H new ATOM 1241 N LEU A 81 10.344 -0.270 -0.863 1.00 0.00 N ATOM 1242 CA LEU A 81 9.166 -0.410 -1.722 1.00 0.00 C ATOM 1243 C LEU A 81 9.044 0.806 -2.636 1.00 0.00 C ATOM 1244 O LEU A 81 8.961 0.659 -3.855 1.00 0.00 O ATOM 1245 CB LEU A 81 7.869 -0.571 -0.898 1.00 0.00 C ATOM 1246 CG LEU A 81 7.399 -2.001 -0.590 1.00 0.00 C ATOM 1247 CD1 LEU A 81 7.458 -2.954 -1.790 1.00 0.00 C ATOM 1248 CD2 LEU A 81 8.194 -2.598 0.559 1.00 0.00 C ATOM 0 H LEU A 81 10.126 -0.071 0.113 1.00 0.00 H new ATOM 0 HA LEU A 81 9.298 -1.313 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.005 -0.050 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.067 -0.060 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 81 6.349 -1.900 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.110 -3.942 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.821 -2.573 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.485 -3.025 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.842 -3.610 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.251 -2.626 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.060 -1.986 1.451 1.00 0.00 H new ATOM 1260 N ILE A 82 9.029 2.002 -2.041 1.00 0.00 N ATOM 1261 CA ILE A 82 8.873 3.304 -2.705 1.00 0.00 C ATOM 1262 C ILE A 82 9.845 3.428 -3.878 1.00 0.00 C ATOM 1263 O ILE A 82 9.479 3.921 -4.947 1.00 0.00 O ATOM 1264 CB ILE A 82 9.011 4.432 -1.660 1.00 0.00 C ATOM 1265 CG1 ILE A 82 7.872 4.360 -0.613 1.00 0.00 C ATOM 1266 CG2 ILE A 82 9.086 5.823 -2.309 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.573 5.075 -0.986 1.00 0.00 C ATOM 0 H ILE A 82 9.130 2.096 -1.030 1.00 0.00 H new ATOM 0 HA ILE A 82 7.877 3.393 -3.138 1.00 0.00 H new ATOM 0 HB ILE A 82 9.958 4.276 -1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.645 3.311 -0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.239 4.780 0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.182 6.582 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.951 5.869 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.178 6.006 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.849 4.958 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.773 6.135 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.170 4.643 -1.902 1.00 0.00 H new ATOM 1279 N ARG A 83 11.057 2.902 -3.705 1.00 0.00 N ATOM 1280 CA ARG A 83 12.104 2.840 -4.708 1.00 0.00 C ATOM 1281 C ARG A 83 11.586 2.381 -6.074 1.00 0.00 C ATOM 1282 O ARG A 83 11.986 2.975 -7.068 1.00 0.00 O ATOM 1283 CB ARG A 83 13.242 1.945 -4.174 1.00 0.00 C ATOM 1284 CG ARG A 83 14.570 2.702 -4.009 1.00 0.00 C ATOM 1285 CD ARG A 83 15.802 1.882 -4.403 1.00 0.00 C ATOM 1286 NE ARG A 83 15.815 0.520 -3.847 1.00 0.00 N ATOM 1287 CZ ARG A 83 16.817 -0.354 -3.995 1.00 0.00 C ATOM 1288 NH1 ARG A 83 17.966 0.011 -4.558 1.00 0.00 N ATOM 1289 NH2 ARG A 83 16.638 -1.604 -3.592 1.00 0.00 N ATOM 0 H ARG A 83 11.343 2.489 -2.817 1.00 0.00 H new ATOM 0 HA ARG A 83 12.491 3.844 -4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.947 1.525 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.389 1.107 -4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.539 3.608 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.671 3.017 -2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.853 1.820 -5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.697 2.408 -4.071 1.00 0.00 H new ATOM 0 HE ARG A 83 15.001 0.220 -3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.092 0.969 -4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.720 -0.667 -4.664 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.749 -1.884 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 83 17.389 -2.286 -3.696 1.00 0.00 H new ATOM 1303 N ALA A 84 10.687 1.394 -6.141 1.00 0.00 N ATOM 1304 CA ALA A 84 10.113 0.899 -7.391 1.00 0.00 C ATOM 1305 C ALA A 84 9.363 2.000 -8.140 1.00 0.00 C ATOM 1306 O ALA A 84 9.688 2.329 -9.279 1.00 0.00 O ATOM 1307 CB ALA A 84 9.224 -0.320 -7.089 1.00 0.00 C ATOM 0 H ALA A 84 10.334 0.911 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 84 10.915 0.582 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.792 -0.694 -8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.825 -1.103 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.424 -0.027 -6.409 1.00 0.00 H new ATOM 1313 N HIS A 85 8.363 2.587 -7.493 1.00 0.00 N ATOM 1314 CA HIS A 85 7.534 3.644 -8.055 1.00 0.00 C ATOM 1315 C HIS A 85 8.420 4.831 -8.447 1.00 0.00 C ATOM 1316 O HIS A 85 8.342 5.356 -9.554 1.00 0.00 O ATOM 1317 CB HIS A 85 6.480 3.979 -6.994 1.00 0.00 C ATOM 1318 CG HIS A 85 5.631 5.197 -7.225 1.00 0.00 C ATOM 1319 ND1 HIS A 85 4.281 5.248 -7.529 1.00 0.00 N ATOM 1320 CD2 HIS A 85 6.034 6.468 -6.929 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.894 6.530 -7.425 1.00 0.00 C ATOM 1322 NE2 HIS A 85 4.927 7.295 -7.052 1.00 0.00 N ATOM 0 H HIS A 85 8.101 2.334 -6.540 1.00 0.00 H new ATOM 0 HA HIS A 85 7.022 3.346 -8.970 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.817 3.120 -6.895 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.990 4.100 -6.038 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.689 4.457 -7.785 1.00 0.00 H new ATOM 0 HD2 HIS A 85 7.032 6.773 -6.650 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.894 6.891 -7.615 1.00 0.00 H new ATOM 1330 N CYS A 86 9.341 5.225 -7.574 1.00 0.00 N ATOM 1331 CA CYS A 86 10.189 6.376 -7.810 1.00 0.00 C ATOM 1332 C CYS A 86 11.259 6.114 -8.860 1.00 0.00 C ATOM 1333 O CYS A 86 11.839 7.081 -9.342 1.00 0.00 O ATOM 1334 CB CYS A 86 10.872 6.744 -6.507 1.00 0.00 C ATOM 1335 SG CYS A 86 9.628 7.394 -5.357 1.00 0.00 S ATOM 0 H CYS A 86 9.516 4.753 -6.687 1.00 0.00 H new ATOM 0 HA CYS A 86 9.556 7.182 -8.180 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.362 5.870 -6.078 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.647 7.489 -6.685 1.00 0.00 H new ATOM 0 HG CYS A 86 10.222 7.922 -4.328 1.00 0.00 H new ATOM 1341 N ALA A 87 11.556 4.860 -9.191 1.00 0.00 N ATOM 1342 CA ALA A 87 12.468 4.525 -10.273 1.00 0.00 C ATOM 1343 C ALA A 87 11.768 4.508 -11.634 1.00 0.00 C ATOM 1344 O ALA A 87 12.446 4.651 -12.653 1.00 0.00 O ATOM 1345 CB ALA A 87 13.137 3.172 -10.011 1.00 0.00 C ATOM 0 H ALA A 87 11.168 4.047 -8.713 1.00 0.00 H new ATOM 0 HA ALA A 87 13.229 5.305 -10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.816 2.937 -10.831 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.697 3.218 -9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.374 2.397 -9.938 1.00 0.00 H new ATOM 1351 N THR A 88 10.438 4.368 -11.663 1.00 0.00 N ATOM 1352 CA THR A 88 9.675 4.307 -12.910 1.00 0.00 C ATOM 1353 C THR A 88 9.011 5.658 -13.216 1.00 0.00 C ATOM 1354 O THR A 88 8.664 5.926 -14.361 1.00 0.00 O ATOM 1355 CB THR A 88 8.727 3.087 -12.859 1.00 0.00 C ATOM 1356 OG1 THR A 88 8.403 2.621 -14.151 1.00 0.00 O ATOM 1357 CG2 THR A 88 7.437 3.313 -12.074 1.00 0.00 C ATOM 0 H THR A 88 9.863 4.294 -10.824 1.00 0.00 H new ATOM 0 HA THR A 88 10.329 4.142 -13.766 1.00 0.00 H new ATOM 0 HB THR A 88 9.300 2.333 -12.319 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.804 1.849 -14.080 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.836 2.404 -12.093 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.679 3.567 -11.042 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.874 4.130 -12.526 1.00 0.00 H new ATOM 1365 N LEU A 89 8.902 6.534 -12.209 1.00 0.00 N ATOM 1366 CA LEU A 89 8.581 7.953 -12.363 1.00 0.00 C ATOM 1367 C LEU A 89 9.840 8.824 -12.232 1.00 0.00 C ATOM 1368 O LEU A 89 9.767 10.047 -12.204 1.00 0.00 O ATOM 1369 CB LEU A 89 7.548 8.366 -11.307 1.00 0.00 C ATOM 1370 CG LEU A 89 6.269 7.514 -11.242 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.376 8.152 -10.188 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.513 7.400 -12.566 1.00 0.00 C ATOM 0 H LEU A 89 9.040 6.263 -11.235 1.00 0.00 H new ATOM 0 HA LEU A 89 8.167 8.105 -13.360 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.028 8.339 -10.329 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.262 9.401 -11.494 1.00 0.00 H new ATOM 0 HG LEU A 89 6.553 6.491 -10.997 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.450 7.583 -10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.891 8.154 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.146 9.177 -10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.626 6.782 -12.426 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.214 8.393 -12.901 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.159 6.943 -13.316 1.00 0.00 H new ATOM 1384 N GLY A 90 11.004 8.197 -12.065 1.00 0.00 N ATOM 1385 CA GLY A 90 12.315 8.835 -12.101 1.00 0.00 C ATOM 1386 C GLY A 90 12.606 9.817 -10.965 1.00 0.00 C ATOM 1387 O GLY A 90 13.551 10.599 -11.082 1.00 0.00 O ATOM 0 H GLY A 90 11.059 7.193 -11.895 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.078 8.057 -12.088 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.415 9.364 -13.049 1.00 0.00 H new ATOM 1391 N HIS A 91 11.831 9.811 -9.874 1.00 0.00 N ATOM 1392 CA HIS A 91 11.975 10.802 -8.811 1.00 0.00 C ATOM 1393 C HIS A 91 13.129 10.482 -7.860 1.00 0.00 C ATOM 1394 O HIS A 91 13.789 11.402 -7.368 1.00 0.00 O ATOM 1395 CB HIS A 91 10.657 10.956 -8.038 1.00 0.00 C ATOM 1396 CG HIS A 91 9.727 11.924 -8.722 1.00 0.00 C ATOM 1397 ND1 HIS A 91 9.718 13.293 -8.552 1.00 0.00 N ATOM 1398 CD2 HIS A 91 8.812 11.620 -9.691 1.00 0.00 C ATOM 1399 CE1 HIS A 91 8.811 13.805 -9.402 1.00 0.00 C ATOM 1400 NE2 HIS A 91 8.252 12.821 -10.128 1.00 0.00 N ATOM 0 H HIS A 91 11.095 9.125 -9.708 1.00 0.00 H new ATOM 0 HA HIS A 91 12.219 11.751 -9.290 1.00 0.00 H new ATOM 0 HB2 HIS A 91 10.171 9.985 -7.948 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.866 11.303 -7.026 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.567 10.632 -10.052 1.00 0.00 H new ATOM 0 HE1 HIS A 91 8.567 14.853 -9.489 1.00 0.00 H new ATOM 0 HE2 HIS A 91 7.551 12.932 -10.860 1.00 0.00 H new ATOM 1494 N HIS A 98 13.696 10.520 2.367 1.00 0.00 N ATOM 1495 CA HIS A 98 12.547 10.380 1.474 1.00 0.00 C ATOM 1496 C HIS A 98 11.246 10.750 2.186 1.00 0.00 C ATOM 1497 O HIS A 98 10.490 11.596 1.721 1.00 0.00 O ATOM 1498 CB HIS A 98 12.442 9.011 0.860 1.00 0.00 C ATOM 1499 CG HIS A 98 11.761 9.021 -0.477 1.00 0.00 C ATOM 1500 ND1 HIS A 98 11.316 10.038 -1.299 1.00 0.00 N ATOM 1501 CD2 HIS A 98 11.728 7.890 -1.188 1.00 0.00 C ATOM 1502 CE1 HIS A 98 11.056 9.488 -2.501 1.00 0.00 C ATOM 1503 NE2 HIS A 98 11.327 8.173 -2.488 1.00 0.00 N ATOM 0 HA HIS A 98 12.712 11.081 0.656 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.441 8.590 0.750 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.893 8.356 1.537 1.00 0.00 H new ATOM 0 HD1 HIS A 98 11.205 11.019 -1.044 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.975 6.909 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 98 10.681 10.030 -3.357 1.00 0.00 H new ATOM 1511 N LEU A 99 10.962 10.038 3.280 1.00 0.00 N ATOM 1512 CA LEU A 99 9.646 9.819 3.841 1.00 0.00 C ATOM 1513 C LEU A 99 9.827 9.529 5.321 1.00 0.00 C ATOM 1514 O LEU A 99 10.489 8.547 5.672 1.00 0.00 O ATOM 1515 CB LEU A 99 9.023 8.565 3.203 1.00 0.00 C ATOM 1516 CG LEU A 99 8.779 8.631 1.689 1.00 0.00 C ATOM 1517 CD1 LEU A 99 8.355 7.244 1.238 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.704 9.664 1.343 1.00 0.00 C ATOM 0 H LEU A 99 11.693 9.577 3.821 1.00 0.00 H new ATOM 0 HA LEU A 99 9.012 10.688 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.674 7.715 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.072 8.365 3.696 1.00 0.00 H new ATOM 0 HG LEU A 99 9.689 8.942 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.172 7.251 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.146 6.529 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.443 6.955 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.555 9.686 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.769 9.394 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.022 10.649 1.686 1.00 0.00 H new ATOM 1530 N HIS A 100 9.209 10.325 6.192 1.00 0.00 N ATOM 1531 CA HIS A 100 9.188 10.009 7.615 1.00 0.00 C ATOM 1532 C HIS A 100 8.345 8.755 7.898 1.00 0.00 C ATOM 1533 O HIS A 100 8.700 7.946 8.759 1.00 0.00 O ATOM 1534 CB HIS A 100 8.714 11.242 8.398 1.00 0.00 C ATOM 1535 CG HIS A 100 8.442 11.005 9.854 1.00 0.00 C ATOM 1536 ND1 HIS A 100 7.218 10.684 10.389 1.00 0.00 N ATOM 1537 CD2 HIS A 100 9.346 11.088 10.877 1.00 0.00 C ATOM 1538 CE1 HIS A 100 7.392 10.515 11.708 1.00 0.00 C ATOM 1539 NE2 HIS A 100 8.661 10.790 12.057 1.00 0.00 N ATOM 0 H HIS A 100 8.721 11.184 5.939 1.00 0.00 H new ATOM 0 HA HIS A 100 10.195 9.765 7.952 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.469 12.023 8.308 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.805 11.622 7.932 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.393 11.337 10.789 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.620 10.201 12.395 1.00 0.00 H new ATOM 0 HE2 HIS A 100 9.048 10.782 13.001 1.00 0.00 H new ATOM 1547 N SER A 101 7.236 8.565 7.180 1.00 0.00 N ATOM 1548 CA SER A 101 6.254 7.516 7.461 1.00 0.00 C ATOM 1549 C SER A 101 5.397 7.202 6.225 1.00 0.00 C ATOM 1550 O SER A 101 5.479 7.895 5.209 1.00 0.00 O ATOM 1551 CB SER A 101 5.402 7.997 8.642 1.00 0.00 C ATOM 1552 OG SER A 101 4.735 6.951 9.318 1.00 0.00 O ATOM 0 H SER A 101 6.992 9.143 6.376 1.00 0.00 H new ATOM 0 HA SER A 101 6.755 6.582 7.717 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.041 8.527 9.349 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.665 8.713 8.280 1.00 0.00 H new ATOM 0 HG SER A 101 4.212 7.322 10.059 1.00 0.00 H new ATOM 1558 N VAL A 102 4.514 6.202 6.332 1.00 0.00 N ATOM 1559 CA VAL A 102 3.444 5.939 5.362 1.00 0.00 C ATOM 1560 C VAL A 102 2.589 7.206 5.205 1.00 0.00 C ATOM 1561 O VAL A 102 2.152 7.538 4.102 1.00 0.00 O ATOM 1562 CB VAL A 102 2.615 4.717 5.836 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.346 4.437 5.010 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.479 3.446 5.830 1.00 0.00 C ATOM 0 H VAL A 102 4.523 5.541 7.109 1.00 0.00 H new ATOM 0 HA VAL A 102 3.854 5.694 4.382 1.00 0.00 H new ATOM 0 HB VAL A 102 2.291 4.980 6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.833 3.565 5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.684 5.302 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.622 4.246 3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.881 2.598 6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.842 3.257 4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.328 3.580 6.501 1.00 0.00 H new ATOM 1574 N MET A 103 2.371 7.941 6.294 1.00 0.00 N ATOM 1575 CA MET A 103 1.615 9.180 6.289 1.00 0.00 C ATOM 1576 C MET A 103 2.235 10.233 5.376 1.00 0.00 C ATOM 1577 O MET A 103 1.497 10.947 4.695 1.00 0.00 O ATOM 1578 CB MET A 103 1.535 9.705 7.722 1.00 0.00 C ATOM 1579 CG MET A 103 0.601 10.905 7.825 1.00 0.00 C ATOM 1580 SD MET A 103 -1.110 10.687 7.236 1.00 0.00 S ATOM 1581 CE MET A 103 -1.567 9.106 7.993 1.00 0.00 C ATOM 0 H MET A 103 2.723 7.683 7.216 1.00 0.00 H new ATOM 0 HA MET A 103 0.618 8.975 5.899 1.00 0.00 H new ATOM 0 HB2 MET A 103 1.184 8.912 8.382 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.531 9.987 8.064 1.00 0.00 H new ATOM 0 HG2 MET A 103 0.561 11.212 8.870 1.00 0.00 H new ATOM 0 HG3 MET A 103 1.047 11.728 7.267 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.647 8.970 7.928 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.067 8.293 7.467 1.00 0.00 H new ATOM 0 HE3 MET A 103 -1.263 9.102 9.040 1.00 0.00 H new ATOM 1591 N ASP A 104 3.567 10.336 5.358 1.00 0.00 N ATOM 1592 CA ASP A 104 4.258 11.254 4.455 1.00 0.00 C ATOM 1593 C ASP A 104 3.921 10.839 3.028 1.00 0.00 C ATOM 1594 O ASP A 104 3.473 11.652 2.215 1.00 0.00 O ATOM 1595 CB ASP A 104 5.794 11.212 4.596 1.00 0.00 C ATOM 1596 CG ASP A 104 6.394 12.230 5.550 1.00 0.00 C ATOM 1597 OD1 ASP A 104 5.743 12.585 6.554 1.00 0.00 O ATOM 1598 OD2 ASP A 104 7.580 12.562 5.331 1.00 0.00 O ATOM 0 H ASP A 104 4.187 9.794 5.960 1.00 0.00 H new ATOM 0 HA ASP A 104 3.930 12.264 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.083 10.215 4.928 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.235 11.360 3.610 1.00 0.00 H new ATOM 1603 N ALA A 105 4.148 9.550 2.749 1.00 0.00 N ATOM 1604 CA ALA A 105 4.075 8.960 1.427 1.00 0.00 C ATOM 1605 C ALA A 105 2.730 9.217 0.750 1.00 0.00 C ATOM 1606 O ALA A 105 2.726 9.559 -0.425 1.00 0.00 O ATOM 1607 CB ALA A 105 4.435 7.476 1.503 1.00 0.00 C ATOM 0 H ALA A 105 4.396 8.873 3.471 1.00 0.00 H new ATOM 0 HA ALA A 105 4.809 9.448 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.379 7.037 0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.448 7.367 1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.736 6.965 2.165 1.00 0.00 H new ATOM 1613 N ILE A 106 1.600 9.120 1.452 1.00 0.00 N ATOM 1614 CA ILE A 106 0.292 9.311 0.822 1.00 0.00 C ATOM 1615 C ILE A 106 0.202 10.678 0.142 1.00 0.00 C ATOM 1616 O ILE A 106 -0.250 10.749 -1.001 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.829 9.106 1.873 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.984 7.642 2.327 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -2.213 9.628 1.468 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -1.254 6.605 1.231 1.00 0.00 C ATOM 0 H ILE A 106 1.563 8.912 2.450 1.00 0.00 H new ATOM 0 HA ILE A 106 0.161 8.565 0.038 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.471 9.717 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.075 7.351 2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.800 7.594 3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.924 9.436 2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.157 10.701 1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.543 9.119 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.343 5.616 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.181 6.854 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.430 6.607 0.517 1.00 0.00 H new ATOM 1632 N ASP A 107 0.616 11.749 0.823 1.00 0.00 N ATOM 1633 CA ASP A 107 0.531 13.100 0.263 1.00 0.00 C ATOM 1634 C ASP A 107 1.692 13.345 -0.705 1.00 0.00 C ATOM 1635 O ASP A 107 1.513 13.980 -1.744 1.00 0.00 O ATOM 1636 CB ASP A 107 0.532 14.151 1.384 1.00 0.00 C ATOM 1637 CG ASP A 107 -0.621 15.140 1.227 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -0.708 15.849 0.199 1.00 0.00 O ATOM 1639 OD2 ASP A 107 -1.451 15.225 2.160 1.00 0.00 O ATOM 0 H ASP A 107 1.013 11.707 1.762 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.406 13.190 -0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.456 13.653 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.479 14.691 1.377 1.00 0.00 H new ATOM 1644 N PHE A 108 2.875 12.811 -0.383 1.00 0.00 N ATOM 1645 CA PHE A 108 4.101 12.957 -1.161 1.00 0.00 C ATOM 1646 C PHE A 108 3.924 12.399 -2.568 1.00 0.00 C ATOM 1647 O PHE A 108 4.227 13.065 -3.556 1.00 0.00 O ATOM 1648 CB PHE A 108 5.243 12.220 -0.443 1.00 0.00 C ATOM 1649 CG PHE A 108 6.544 12.198 -1.215 1.00 0.00 C ATOM 1650 CD1 PHE A 108 7.361 13.339 -1.214 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.915 11.069 -1.977 1.00 0.00 C ATOM 1652 CE1 PHE A 108 8.525 13.367 -1.993 1.00 0.00 C ATOM 1653 CE2 PHE A 108 8.070 11.109 -2.775 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.871 12.263 -2.792 1.00 0.00 C ATOM 0 H PHE A 108 3.005 12.246 0.456 1.00 0.00 H new ATOM 0 HA PHE A 108 4.340 14.017 -1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.415 12.692 0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.932 11.194 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 108 7.093 14.195 -0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.311 10.174 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.160 14.241 -1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.342 10.253 -3.375 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.751 12.302 -3.417 1.00 0.00 H new ATOM 1664 N LEU A 109 3.443 11.160 -2.644 1.00 0.00 N ATOM 1665 CA LEU A 109 3.241 10.416 -3.877 1.00 0.00 C ATOM 1666 C LEU A 109 2.128 11.030 -4.703 1.00 0.00 C ATOM 1667 O LEU A 109 2.156 10.992 -5.931 1.00 0.00 O ATOM 1668 CB LEU A 109 2.906 8.963 -3.521 1.00 0.00 C ATOM 1669 CG LEU A 109 4.092 8.237 -2.848 1.00 0.00 C ATOM 1670 CD1 LEU A 109 3.636 6.851 -2.414 1.00 0.00 C ATOM 1671 CD2 LEU A 109 5.347 8.085 -3.707 1.00 0.00 C ATOM 0 H LEU A 109 3.174 10.630 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 109 4.151 10.451 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.045 8.944 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.620 8.426 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 109 4.381 8.872 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.465 6.328 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.811 6.944 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.305 6.287 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.116 7.562 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.107 7.513 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.714 9.071 -3.993 1.00 0.00 H new ATOM 1683 N ASN A 110 1.153 11.620 -4.022 1.00 0.00 N ATOM 1684 CA ASN A 110 0.072 12.328 -4.671 1.00 0.00 C ATOM 1685 C ASN A 110 0.591 13.567 -5.389 1.00 0.00 C ATOM 1686 O ASN A 110 0.135 13.847 -6.493 1.00 0.00 O ATOM 1687 CB ASN A 110 -0.986 12.712 -3.636 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.234 11.884 -3.817 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.037 12.185 -4.694 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.441 10.871 -2.997 1.00 0.00 N ATOM 0 H ASN A 110 1.095 11.617 -3.004 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.379 11.673 -5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.589 12.566 -2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.229 13.770 -3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.290 10.311 -3.082 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.752 10.648 -2.278 1.00 0.00 H new ATOM 1697 N ALA A 111 1.533 14.293 -4.781 1.00 0.00 N ATOM 1698 CA ALA A 111 2.126 15.511 -5.331 1.00 0.00 C ATOM 1699 C ALA A 111 3.128 15.235 -6.462 1.00 0.00 C ATOM 1700 O ALA A 111 3.753 16.172 -6.962 1.00 0.00 O ATOM 1701 CB ALA A 111 2.810 16.277 -4.195 1.00 0.00 C ATOM 0 H ALA A 111 1.913 14.042 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 111 1.324 16.103 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.258 17.189 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.073 16.534 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.587 15.654 -3.752 1.00 0.00 H new ATOM 1707 N LEU A 112 3.349 13.972 -6.836 1.00 0.00 N ATOM 1708 CA LEU A 112 4.053 13.631 -8.065 1.00 0.00 C ATOM 1709 C LEU A 112 3.113 13.731 -9.265 1.00 0.00 C ATOM 1710 O LEU A 112 3.575 14.002 -10.371 1.00 0.00 O ATOM 1711 CB LEU A 112 4.620 12.210 -7.992 1.00 0.00 C ATOM 1712 CG LEU A 112 5.487 11.918 -6.753 1.00 0.00 C ATOM 1713 CD1 LEU A 112 6.069 10.509 -6.855 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.639 12.906 -6.568 1.00 0.00 C ATOM 0 H LEU A 112 3.044 13.163 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 112 4.873 14.339 -8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.791 11.503 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.217 12.027 -8.886 1.00 0.00 H new ATOM 0 HG LEU A 112 4.829 12.017 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.682 10.304 -5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.258 9.783 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.683 10.433 -7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.207 12.640 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.293 12.870 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.239 13.914 -6.456 1.00 0.00 H new