USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 733 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 Single : A 66 LYS NZ :NH3+ -164:sc= -0.0172 (180deg=-0.276) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 74 LYS NZ :NH3+ 159:sc= -0.0842 (180deg=-0.595) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -3.68! C(o=-3.7!,f=-2.1!) USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00462) USER MOD Single : A 83 SER OG : rot 180:sc= -0.05 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 94 HIS : no HE2:sc= -0.38! C(o=-0.38!,f=-7.3!) USER MOD Single : A 100 ASN : amide:sc= -1.54! C(o=-1.5!,f=-3.6!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 138:sc= 0.76 (180deg=0.0383) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 106 THR OG1 : rot 25:sc= 0.236 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.242 K(o=-0.24,f=-0.99) USER MOD Single : A 112 TYR OH : rot -170:sc= -0.862 USER MOD Single : A 113 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.23) USER MOD Single : A 120 SER OG : rot -24:sc= -0.172 USER MOD Single : A 122 GLN : amide:sc= -0.17! K(o=-0.17!,f=-1.3) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 159:sc= -0.0556 (180deg=-0.597) USER MOD Single : A 126 ASN : amide:sc= -0.955 K(o=-0.96,f=-0.024) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 100:sc= -0.111 USER MOD Single : A 135 THR OG1 : rot 81:sc= 0.885 USER MOD Single : A 136 ASN : amide:sc= -1.38! C(o=-1.4!,f=-2.7!) USER MOD Single : A 137 MET CE :methyl -154:sc= -0.194 (180deg=-1.06) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 14:sc= -0.185 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 MET CE :methyl -173:sc=-0.00214 (180deg=-0.0127) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 9.455 2.741 -5.903 1.00 0.00 N ATOM 16 CA PHE A 65 8.233 2.891 -5.055 1.00 0.00 C ATOM 17 C PHE A 65 8.512 2.332 -3.654 1.00 0.00 C ATOM 18 O PHE A 65 8.049 2.852 -2.657 1.00 0.00 O ATOM 19 CB PHE A 65 7.065 2.113 -5.692 1.00 0.00 C ATOM 20 CG PHE A 65 7.229 2.073 -7.198 1.00 0.00 C ATOM 21 CD1 PHE A 65 7.205 3.261 -7.937 1.00 0.00 C ATOM 22 CD2 PHE A 65 7.402 0.844 -7.853 1.00 0.00 C ATOM 23 CE1 PHE A 65 7.355 3.222 -9.330 1.00 0.00 C ATOM 24 CE2 PHE A 65 7.550 0.806 -9.244 1.00 0.00 C ATOM 25 CZ PHE A 65 7.526 1.995 -9.983 1.00 0.00 C ATOM 0 HA PHE A 65 7.970 3.946 -4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.033 1.099 -5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.118 2.587 -5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.071 4.207 -7.434 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.421 -0.073 -7.283 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.339 4.139 -9.900 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.683 -0.140 -9.747 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.639 1.966 -11.057 1.00 0.00 H new ATOM 35 N LYS A 66 9.252 1.259 -3.583 1.00 0.00 N ATOM 36 CA LYS A 66 9.556 0.639 -2.263 1.00 0.00 C ATOM 37 C LYS A 66 10.291 1.644 -1.375 1.00 0.00 C ATOM 38 O LYS A 66 10.003 1.780 -0.200 1.00 0.00 O ATOM 39 CB LYS A 66 10.441 -0.592 -2.478 1.00 0.00 C ATOM 40 CG LYS A 66 10.662 -1.313 -1.145 1.00 0.00 C ATOM 41 CD LYS A 66 11.446 -2.606 -1.386 1.00 0.00 C ATOM 42 CE LYS A 66 11.648 -3.340 -0.058 1.00 0.00 C ATOM 43 NZ LYS A 66 12.577 -2.559 0.807 1.00 0.00 N ATOM 0 H LYS A 66 9.661 0.783 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 66 8.625 0.346 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.972 -1.267 -3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.399 -0.292 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.208 -0.668 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.703 -1.538 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.908 -3.244 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.412 -2.379 -1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.690 -3.472 0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.053 -4.336 -0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.927 -3.165 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.380 -2.222 0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.073 -1.744 1.211 1.00 0.00 H new ATOM 57 N GLN A 67 11.241 2.344 -1.929 1.00 0.00 N ATOM 58 CA GLN A 67 12.004 3.344 -1.128 1.00 0.00 C ATOM 59 C GLN A 67 11.072 4.481 -0.702 1.00 0.00 C ATOM 60 O GLN A 67 11.085 4.920 0.433 1.00 0.00 O ATOM 61 CB GLN A 67 13.135 3.914 -1.987 1.00 0.00 C ATOM 62 CG GLN A 67 14.173 2.823 -2.265 1.00 0.00 C ATOM 63 CD GLN A 67 15.270 3.376 -3.178 1.00 0.00 C ATOM 64 OE1 GLN A 67 15.267 4.543 -3.518 1.00 0.00 O ATOM 65 NE2 GLN A 67 16.219 2.579 -3.591 1.00 0.00 N ATOM 0 H GLN A 67 11.524 2.267 -2.906 1.00 0.00 H new ATOM 0 HA GLN A 67 12.417 2.863 -0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.734 4.296 -2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.605 4.754 -1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.608 2.474 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.695 1.963 -2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.222 1.600 -3.306 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.957 2.936 -4.198 1.00 0.00 H new ATOM 74 N VAL A 68 10.265 4.962 -1.610 1.00 0.00 N ATOM 75 CA VAL A 68 9.326 6.071 -1.274 1.00 0.00 C ATOM 76 C VAL A 68 8.315 5.584 -0.235 1.00 0.00 C ATOM 77 O VAL A 68 8.042 6.248 0.747 1.00 0.00 O ATOM 78 CB VAL A 68 8.582 6.498 -2.541 1.00 0.00 C ATOM 79 CG1 VAL A 68 7.502 7.523 -2.188 1.00 0.00 C ATOM 80 CG2 VAL A 68 9.570 7.117 -3.532 1.00 0.00 C ATOM 0 H VAL A 68 10.216 4.633 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 68 9.885 6.916 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 68 8.114 5.624 -2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.976 7.823 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.795 7.079 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.966 8.397 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.039 7.421 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.042 7.988 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.334 6.384 -3.790 1.00 0.00 H new ATOM 90 N ALA A 69 7.759 4.424 -0.453 1.00 0.00 N ATOM 91 CA ALA A 69 6.764 3.872 0.509 1.00 0.00 C ATOM 92 C ALA A 69 7.460 3.565 1.836 1.00 0.00 C ATOM 93 O ALA A 69 6.920 3.790 2.903 1.00 0.00 O ATOM 94 CB ALA A 69 6.175 2.583 -0.064 1.00 0.00 C ATOM 0 H ALA A 69 7.952 3.832 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 69 5.968 4.599 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.446 2.174 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.686 2.797 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.973 1.857 -0.222 1.00 0.00 H new ATOM 100 N ASP A 70 8.657 3.050 1.769 1.00 0.00 N ATOM 101 CA ASP A 70 9.409 2.721 3.014 1.00 0.00 C ATOM 102 C ASP A 70 9.683 4.005 3.797 1.00 0.00 C ATOM 103 O ASP A 70 9.513 4.065 5.000 1.00 0.00 O ATOM 104 CB ASP A 70 10.738 2.065 2.633 1.00 0.00 C ATOM 105 CG ASP A 70 11.561 1.791 3.892 1.00 0.00 C ATOM 106 OD1 ASP A 70 11.007 1.897 4.974 1.00 0.00 O ATOM 107 OD2 ASP A 70 12.734 1.482 3.755 1.00 0.00 O ATOM 0 H ASP A 70 9.150 2.842 0.900 1.00 0.00 H new ATOM 0 HA ASP A 70 8.823 2.039 3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.554 1.133 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.295 2.715 1.958 1.00 0.00 H new ATOM 112 N ASP A 71 10.107 5.033 3.116 1.00 0.00 N ATOM 113 CA ASP A 71 10.394 6.326 3.800 1.00 0.00 C ATOM 114 C ASP A 71 9.103 6.889 4.399 1.00 0.00 C ATOM 115 O ASP A 71 9.075 7.371 5.516 1.00 0.00 O ATOM 116 CB ASP A 71 10.949 7.320 2.777 1.00 0.00 C ATOM 117 CG ASP A 71 12.386 6.942 2.408 1.00 0.00 C ATOM 118 OD1 ASP A 71 12.961 6.125 3.107 1.00 0.00 O ATOM 119 OD2 ASP A 71 12.886 7.479 1.433 1.00 0.00 O ATOM 0 H ASP A 71 10.268 5.033 2.109 1.00 0.00 H new ATOM 0 HA ASP A 71 11.122 6.164 4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.324 7.323 1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.923 8.330 3.187 1.00 0.00 H new ATOM 124 N TRP A 72 8.037 6.838 3.649 1.00 0.00 N ATOM 125 CA TRP A 72 6.731 7.371 4.135 1.00 0.00 C ATOM 126 C TRP A 72 6.214 6.524 5.304 1.00 0.00 C ATOM 127 O TRP A 72 5.640 7.031 6.248 1.00 0.00 O ATOM 128 CB TRP A 72 5.720 7.325 2.990 1.00 0.00 C ATOM 129 CG TRP A 72 4.469 8.033 3.395 1.00 0.00 C ATOM 130 CD1 TRP A 72 4.225 9.347 3.190 1.00 0.00 C ATOM 131 CD2 TRP A 72 3.294 7.499 4.071 1.00 0.00 C ATOM 132 NE1 TRP A 72 2.973 9.653 3.691 1.00 0.00 N ATOM 133 CE2 TRP A 72 2.360 8.547 4.245 1.00 0.00 C ATOM 134 CE3 TRP A 72 2.947 6.219 4.542 1.00 0.00 C ATOM 135 CZ2 TRP A 72 1.132 8.335 4.868 1.00 0.00 C ATOM 136 CZ3 TRP A 72 1.710 6.003 5.169 1.00 0.00 C ATOM 137 CH2 TRP A 72 0.803 7.058 5.330 1.00 0.00 C ATOM 0 H TRP A 72 8.014 6.445 2.708 1.00 0.00 H new ATOM 0 HA TRP A 72 6.866 8.397 4.476 1.00 0.00 H new ATOM 0 HB2 TRP A 72 6.142 7.792 2.100 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.496 6.290 2.731 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.898 10.044 2.713 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.554 10.582 3.656 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.637 5.397 4.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.438 9.153 4.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.456 5.017 5.530 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.149 6.885 5.810 1.00 0.00 H new ATOM 148 N LEU A 73 6.400 5.234 5.234 1.00 0.00 N ATOM 149 CA LEU A 73 5.909 4.338 6.325 1.00 0.00 C ATOM 150 C LEU A 73 6.607 4.688 7.640 1.00 0.00 C ATOM 151 O LEU A 73 6.006 4.680 8.698 1.00 0.00 O ATOM 152 CB LEU A 73 6.215 2.880 5.953 1.00 0.00 C ATOM 153 CG LEU A 73 5.177 2.366 4.940 1.00 0.00 C ATOM 154 CD1 LEU A 73 5.706 1.092 4.268 1.00 0.00 C ATOM 155 CD2 LEU A 73 3.841 2.056 5.647 1.00 0.00 C ATOM 0 H LEU A 73 6.873 4.758 4.466 1.00 0.00 H new ATOM 0 HA LEU A 73 4.834 4.470 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.216 2.807 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.202 2.257 6.848 1.00 0.00 H new ATOM 0 HG LEU A 73 5.007 3.138 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.971 0.727 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.639 1.314 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.884 0.328 5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.118 1.694 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.001 1.293 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.459 2.962 6.117 1.00 0.00 H new ATOM 167 N LYS A 74 7.870 4.983 7.581 1.00 0.00 N ATOM 168 CA LYS A 74 8.621 5.324 8.820 1.00 0.00 C ATOM 169 C LYS A 74 8.019 6.578 9.458 1.00 0.00 C ATOM 170 O LYS A 74 7.883 6.672 10.663 1.00 0.00 O ATOM 171 CB LYS A 74 10.082 5.592 8.449 1.00 0.00 C ATOM 172 CG LYS A 74 10.740 4.311 7.906 1.00 0.00 C ATOM 173 CD LYS A 74 11.232 3.439 9.068 1.00 0.00 C ATOM 174 CE LYS A 74 11.930 2.196 8.516 1.00 0.00 C ATOM 175 NZ LYS A 74 13.144 2.606 7.755 1.00 0.00 N ATOM 0 H LYS A 74 8.421 5.003 6.723 1.00 0.00 H new ATOM 0 HA LYS A 74 8.560 4.499 9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.135 6.382 7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.627 5.946 9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.025 3.754 7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.576 4.569 7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.919 4.006 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.392 3.147 9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.207 1.529 9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.251 1.642 7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.799 1.801 7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.868 2.911 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.613 3.392 8.248 1.00 0.00 H new ATOM 189 N GLN A 75 7.661 7.541 8.656 1.00 0.00 N ATOM 190 CA GLN A 75 7.067 8.795 9.202 1.00 0.00 C ATOM 191 C GLN A 75 5.698 8.488 9.818 1.00 0.00 C ATOM 192 O GLN A 75 5.335 9.013 10.854 1.00 0.00 O ATOM 193 CB GLN A 75 6.907 9.805 8.066 1.00 0.00 C ATOM 194 CG GLN A 75 8.291 10.237 7.573 1.00 0.00 C ATOM 195 CD GLN A 75 8.145 11.207 6.399 1.00 0.00 C ATOM 196 OE1 GLN A 75 7.380 12.150 6.463 1.00 0.00 O ATOM 197 NE2 GLN A 75 8.856 11.015 5.321 1.00 0.00 N ATOM 0 H GLN A 75 7.754 7.514 7.641 1.00 0.00 H new ATOM 0 HA GLN A 75 7.719 9.209 9.971 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.339 9.362 7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.345 10.672 8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.843 10.713 8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.866 9.364 7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.498 10.224 5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.770 11.656 4.532 1.00 0.00 H new ATOM 206 N TYR A 76 4.939 7.639 9.180 1.00 0.00 N ATOM 207 CA TYR A 76 3.591 7.278 9.708 1.00 0.00 C ATOM 208 C TYR A 76 3.740 6.592 11.068 1.00 0.00 C ATOM 209 O TYR A 76 2.965 6.817 11.979 1.00 0.00 O ATOM 210 CB TYR A 76 2.904 6.326 8.727 1.00 0.00 C ATOM 211 CG TYR A 76 1.574 5.881 9.290 1.00 0.00 C ATOM 212 CD1 TYR A 76 0.475 6.748 9.257 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.439 4.602 9.844 1.00 0.00 C ATOM 214 CE1 TYR A 76 -0.759 6.335 9.777 1.00 0.00 C ATOM 215 CE2 TYR A 76 0.207 4.190 10.362 1.00 0.00 C ATOM 216 CZ TYR A 76 -0.893 5.056 10.329 1.00 0.00 C ATOM 217 OH TYR A 76 -2.108 4.649 10.842 1.00 0.00 O ATOM 0 H TYR A 76 5.197 7.176 8.308 1.00 0.00 H new ATOM 0 HA TYR A 76 2.990 8.180 9.824 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.755 6.823 7.768 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.539 5.460 8.542 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.578 7.735 8.831 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.287 3.933 9.871 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.607 7.004 9.752 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.104 3.203 10.788 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.028 3.734 11.185 1.00 0.00 H new ATOM 227 N ALA A 77 4.731 5.752 11.206 1.00 0.00 N ATOM 228 CA ALA A 77 4.943 5.038 12.498 1.00 0.00 C ATOM 229 C ALA A 77 5.207 6.049 13.624 1.00 0.00 C ATOM 230 O ALA A 77 5.556 5.679 14.731 1.00 0.00 O ATOM 231 CB ALA A 77 6.139 4.094 12.363 1.00 0.00 C ATOM 0 H ALA A 77 5.406 5.529 10.475 1.00 0.00 H new ATOM 0 HA ALA A 77 4.048 4.465 12.742 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.297 3.570 13.306 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.943 3.369 11.573 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.030 4.670 12.114 1.00 0.00 H new ATOM 237 N ASN A 78 5.041 7.319 13.356 1.00 0.00 N ATOM 238 CA ASN A 78 5.273 8.345 14.411 1.00 0.00 C ATOM 239 C ASN A 78 4.259 8.148 15.538 1.00 0.00 C ATOM 240 O ASN A 78 4.584 8.242 16.705 1.00 0.00 O ATOM 241 CB ASN A 78 5.090 9.745 13.809 1.00 0.00 C ATOM 242 CG ASN A 78 6.346 10.145 13.032 1.00 0.00 C ATOM 243 OD1 ASN A 78 6.479 11.279 12.614 1.00 0.00 O ATOM 244 ND2 ASN A 78 7.274 9.256 12.814 1.00 0.00 N ATOM 0 H ASN A 78 4.754 7.688 12.449 1.00 0.00 H new ATOM 0 HA ASN A 78 6.285 8.243 14.803 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.224 9.756 13.148 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.896 10.468 14.601 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.113 9.511 12.292 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.162 8.305 13.165 1.00 0.00 H new ATOM 251 N ASP A 79 3.027 7.875 15.191 1.00 0.00 N ATOM 252 CA ASP A 79 1.975 7.675 16.231 1.00 0.00 C ATOM 253 C ASP A 79 1.011 6.580 15.774 1.00 0.00 C ATOM 254 O ASP A 79 0.082 6.828 15.031 1.00 0.00 O ATOM 255 CB ASP A 79 1.204 8.985 16.432 1.00 0.00 C ATOM 256 CG ASP A 79 2.076 9.983 17.199 1.00 0.00 C ATOM 257 OD1 ASP A 79 3.010 9.547 17.850 1.00 0.00 O ATOM 258 OD2 ASP A 79 1.798 11.167 17.118 1.00 0.00 O ATOM 0 H ASP A 79 2.704 7.782 14.228 1.00 0.00 H new ATOM 0 HA ASP A 79 2.441 7.379 17.171 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.919 9.403 15.466 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.282 8.795 16.981 1.00 0.00 H new ATOM 263 N VAL A 80 1.229 5.371 16.230 1.00 0.00 N ATOM 264 CA VAL A 80 0.331 4.238 15.849 1.00 0.00 C ATOM 265 C VAL A 80 0.828 2.946 16.512 1.00 0.00 C ATOM 266 O VAL A 80 1.970 2.837 16.922 1.00 0.00 O ATOM 267 CB VAL A 80 0.308 4.058 14.322 1.00 0.00 C ATOM 268 CG1 VAL A 80 1.733 4.061 13.776 1.00 0.00 C ATOM 269 CG2 VAL A 80 -0.373 2.729 13.970 1.00 0.00 C ATOM 0 H VAL A 80 1.996 5.119 16.854 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.680 4.461 16.189 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.249 4.882 13.875 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.708 3.933 12.694 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.214 5.009 14.018 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.296 3.243 14.225 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.388 2.604 12.887 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.180 1.906 14.423 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.395 2.732 14.349 1.00 0.00 H new ATOM 279 N LYS A 81 -0.032 1.965 16.611 1.00 0.00 N ATOM 280 CA LYS A 81 0.361 0.672 17.239 1.00 0.00 C ATOM 281 C LYS A 81 1.484 0.016 16.435 1.00 0.00 C ATOM 282 O LYS A 81 1.458 -0.038 15.220 1.00 0.00 O ATOM 283 CB LYS A 81 -0.855 -0.263 17.287 1.00 0.00 C ATOM 284 CG LYS A 81 -1.863 0.268 18.312 1.00 0.00 C ATOM 285 CD LYS A 81 -3.081 -0.660 18.373 1.00 0.00 C ATOM 286 CE LYS A 81 -4.036 -0.187 19.475 1.00 0.00 C ATOM 287 NZ LYS A 81 -4.800 1.002 19.002 1.00 0.00 N ATOM 0 H LYS A 81 -0.996 2.007 16.281 1.00 0.00 H new ATOM 0 HA LYS A 81 0.717 0.861 18.252 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.319 -0.326 16.303 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.542 -1.272 17.557 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.396 0.334 19.294 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.176 1.276 18.039 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.594 -0.666 17.411 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.761 -1.683 18.570 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.723 -0.990 19.743 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.473 0.064 20.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.471 1.299 19.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.141 1.780 18.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.323 0.757 18.137 1.00 0.00 H new ATOM 301 N VAL A 82 2.477 -0.477 17.123 1.00 0.00 N ATOM 302 CA VAL A 82 3.626 -1.134 16.441 1.00 0.00 C ATOM 303 C VAL A 82 3.143 -2.386 15.706 1.00 0.00 C ATOM 304 O VAL A 82 3.568 -2.677 14.604 1.00 0.00 O ATOM 305 CB VAL A 82 4.669 -1.527 17.492 1.00 0.00 C ATOM 306 CG1 VAL A 82 4.066 -2.543 18.468 1.00 0.00 C ATOM 307 CG2 VAL A 82 5.880 -2.148 16.798 1.00 0.00 C ATOM 0 H VAL A 82 2.541 -0.452 18.141 1.00 0.00 H new ATOM 0 HA VAL A 82 4.068 -0.446 15.720 1.00 0.00 H new ATOM 0 HB VAL A 82 4.977 -0.638 18.043 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.812 -2.819 19.213 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.202 -2.101 18.965 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.754 -3.432 17.921 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.623 -2.428 17.545 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.568 -3.035 16.246 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.314 -1.425 16.108 1.00 0.00 H new ATOM 317 N SER A 83 2.263 -3.130 16.315 1.00 0.00 N ATOM 318 CA SER A 83 1.748 -4.371 15.670 1.00 0.00 C ATOM 319 C SER A 83 1.021 -4.010 14.373 1.00 0.00 C ATOM 320 O SER A 83 1.122 -4.698 13.375 1.00 0.00 O ATOM 321 CB SER A 83 0.770 -5.059 16.622 1.00 0.00 C ATOM 322 OG SER A 83 -0.311 -4.175 16.896 1.00 0.00 O ATOM 0 H SER A 83 1.876 -2.931 17.237 1.00 0.00 H new ATOM 0 HA SER A 83 2.579 -5.039 15.445 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.398 -5.982 16.177 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.276 -5.333 17.548 1.00 0.00 H new ATOM 0 HG SER A 83 -0.943 -4.610 17.505 1.00 0.00 H new ATOM 328 N SER A 84 0.282 -2.936 14.390 1.00 0.00 N ATOM 329 CA SER A 84 -0.464 -2.511 13.171 1.00 0.00 C ATOM 330 C SER A 84 0.520 -2.169 12.049 1.00 0.00 C ATOM 331 O SER A 84 0.324 -2.525 10.902 1.00 0.00 O ATOM 332 CB SER A 84 -1.298 -1.274 13.503 1.00 0.00 C ATOM 333 OG SER A 84 -2.038 -0.882 12.356 1.00 0.00 O ATOM 0 H SER A 84 0.162 -2.330 15.201 1.00 0.00 H new ATOM 0 HA SER A 84 -1.113 -3.323 12.843 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.975 -1.489 14.330 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.649 -0.460 13.826 1.00 0.00 H new ATOM 0 HG SER A 84 -2.575 -0.090 12.568 1.00 0.00 H new ATOM 339 N VAL A 85 1.570 -1.465 12.375 1.00 0.00 N ATOM 340 CA VAL A 85 2.572 -1.077 11.339 1.00 0.00 C ATOM 341 C VAL A 85 3.249 -2.328 10.772 1.00 0.00 C ATOM 342 O VAL A 85 3.419 -2.469 9.576 1.00 0.00 O ATOM 343 CB VAL A 85 3.633 -0.182 11.983 1.00 0.00 C ATOM 344 CG1 VAL A 85 4.746 0.108 10.974 1.00 0.00 C ATOM 345 CG2 VAL A 85 2.994 1.136 12.429 1.00 0.00 C ATOM 0 H VAL A 85 1.779 -1.140 13.319 1.00 0.00 H new ATOM 0 HA VAL A 85 2.069 -0.544 10.532 1.00 0.00 H new ATOM 0 HB VAL A 85 4.054 -0.693 12.849 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.499 0.746 11.437 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.206 -0.829 10.661 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.326 0.614 10.105 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.752 1.771 12.887 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.568 1.645 11.564 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.206 0.931 13.154 1.00 0.00 H new ATOM 355 N ARG A 86 3.650 -3.226 11.628 1.00 0.00 N ATOM 356 CA ARG A 86 4.331 -4.466 11.155 1.00 0.00 C ATOM 357 C ARG A 86 3.374 -5.289 10.291 1.00 0.00 C ATOM 358 O ARG A 86 3.739 -5.793 9.246 1.00 0.00 O ATOM 359 CB ARG A 86 4.752 -5.292 12.371 1.00 0.00 C ATOM 360 CG ARG A 86 5.536 -6.525 11.917 1.00 0.00 C ATOM 361 CD ARG A 86 5.968 -7.335 13.140 1.00 0.00 C ATOM 362 NE ARG A 86 6.870 -8.445 12.711 1.00 0.00 N ATOM 363 CZ ARG A 86 6.375 -9.593 12.327 1.00 0.00 C ATOM 364 NH1 ARG A 86 5.083 -9.781 12.305 1.00 0.00 N ATOM 365 NH2 ARG A 86 7.177 -10.554 11.961 1.00 0.00 N ATOM 0 H ARG A 86 3.535 -3.155 12.639 1.00 0.00 H new ATOM 0 HA ARG A 86 5.205 -4.198 10.562 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.365 -4.686 13.039 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.872 -5.598 12.936 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.920 -7.139 11.260 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.410 -6.221 11.342 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.482 -6.690 13.853 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.093 -7.740 13.649 1.00 0.00 H new ATOM 0 HE ARG A 86 7.881 -8.307 12.718 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.453 -9.030 12.588 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.703 -10.679 12.004 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.187 -10.409 11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.795 -11.451 11.661 1.00 0.00 H new ATOM 379 N ALA A 87 2.155 -5.435 10.728 1.00 0.00 N ATOM 380 CA ALA A 87 1.166 -6.229 9.945 1.00 0.00 C ATOM 381 C ALA A 87 0.786 -5.475 8.668 1.00 0.00 C ATOM 382 O ALA A 87 0.737 -6.036 7.588 1.00 0.00 O ATOM 383 CB ALA A 87 -0.087 -6.443 10.796 1.00 0.00 C ATOM 0 H ALA A 87 1.799 -5.037 11.597 1.00 0.00 H new ATOM 0 HA ALA A 87 1.604 -7.190 9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.816 -7.023 10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.179 -6.982 11.706 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.518 -5.477 11.059 1.00 0.00 H new ATOM 389 N ARG A 88 0.508 -4.205 8.792 1.00 0.00 N ATOM 390 CA ARG A 88 0.120 -3.397 7.600 1.00 0.00 C ATOM 391 C ARG A 88 1.300 -3.330 6.627 1.00 0.00 C ATOM 392 O ARG A 88 1.140 -3.441 5.426 1.00 0.00 O ATOM 393 CB ARG A 88 -0.251 -1.979 8.045 1.00 0.00 C ATOM 394 CG ARG A 88 -0.979 -1.262 6.907 1.00 0.00 C ATOM 395 CD ARG A 88 -1.256 0.196 7.297 1.00 0.00 C ATOM 396 NE ARG A 88 0.027 0.957 7.318 1.00 0.00 N ATOM 397 CZ ARG A 88 0.047 2.218 7.669 1.00 0.00 C ATOM 398 NH1 ARG A 88 -1.055 2.831 8.008 1.00 0.00 N ATOM 399 NH2 ARG A 88 1.179 2.868 7.677 1.00 0.00 N ATOM 0 H ARG A 88 0.533 -3.690 9.672 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.735 -3.861 7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.886 -2.019 8.930 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.647 -1.427 8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.376 -1.296 6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.916 -1.772 6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.948 0.648 6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.732 0.238 8.277 1.00 0.00 H new ATOM 0 HE ARG A 88 0.896 0.491 7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.942 2.327 8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.029 3.814 8.280 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.042 2.393 7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.201 3.851 7.950 1.00 0.00 H new ATOM 413 N GLU A 89 2.487 -3.142 7.142 1.00 0.00 N ATOM 414 CA GLU A 89 3.685 -3.063 6.257 1.00 0.00 C ATOM 415 C GLU A 89 3.825 -4.372 5.482 1.00 0.00 C ATOM 416 O GLU A 89 4.210 -4.386 4.328 1.00 0.00 O ATOM 417 CB GLU A 89 4.940 -2.842 7.109 1.00 0.00 C ATOM 418 CG GLU A 89 6.159 -2.707 6.191 1.00 0.00 C ATOM 419 CD GLU A 89 7.408 -2.403 7.020 1.00 0.00 C ATOM 420 OE1 GLU A 89 7.341 -2.530 8.231 1.00 0.00 O ATOM 421 OE2 GLU A 89 8.415 -2.050 6.426 1.00 0.00 O ATOM 0 H GLU A 89 2.678 -3.040 8.139 1.00 0.00 H new ATOM 0 HA GLU A 89 3.569 -2.232 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.827 -1.944 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.079 -3.677 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.303 -3.628 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.992 -1.911 5.465 1.00 0.00 H new ATOM 428 N LYS A 90 3.516 -5.471 6.110 1.00 0.00 N ATOM 429 CA LYS A 90 3.626 -6.784 5.418 1.00 0.00 C ATOM 430 C LYS A 90 2.687 -6.798 4.210 1.00 0.00 C ATOM 431 O LYS A 90 3.058 -7.203 3.125 1.00 0.00 O ATOM 432 CB LYS A 90 3.226 -7.899 6.388 1.00 0.00 C ATOM 433 CG LYS A 90 3.434 -9.261 5.721 1.00 0.00 C ATOM 434 CD LYS A 90 3.083 -10.379 6.708 1.00 0.00 C ATOM 435 CE LYS A 90 3.309 -11.739 6.040 1.00 0.00 C ATOM 436 NZ LYS A 90 2.950 -12.829 6.992 1.00 0.00 N ATOM 0 H LYS A 90 3.191 -5.516 7.076 1.00 0.00 H new ATOM 0 HA LYS A 90 4.652 -6.941 5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.822 -7.834 7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.183 -7.782 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.810 -9.340 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.469 -9.363 5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.699 -10.295 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.044 -10.286 7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.704 -11.817 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.351 -11.837 5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.104 -13.752 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.546 -12.758 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.950 -12.739 7.262 1.00 0.00 H new ATOM 450 N ALA A 91 1.472 -6.357 4.394 1.00 0.00 N ATOM 451 CA ALA A 91 0.502 -6.337 3.260 1.00 0.00 C ATOM 452 C ALA A 91 0.942 -5.299 2.223 1.00 0.00 C ATOM 453 O ALA A 91 0.899 -5.537 1.031 1.00 0.00 O ATOM 454 CB ALA A 91 -0.882 -5.962 3.791 1.00 0.00 C ATOM 0 H ALA A 91 1.108 -6.009 5.281 1.00 0.00 H new ATOM 0 HA ALA A 91 0.467 -7.322 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.596 -5.946 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.199 -6.697 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.839 -4.976 4.254 1.00 0.00 H new ATOM 460 N ILE A 92 1.360 -4.146 2.675 1.00 0.00 N ATOM 461 CA ILE A 92 1.804 -3.081 1.727 1.00 0.00 C ATOM 462 C ILE A 92 3.069 -3.548 1.002 1.00 0.00 C ATOM 463 O ILE A 92 3.221 -3.373 -0.192 1.00 0.00 O ATOM 464 CB ILE A 92 2.104 -1.794 2.503 1.00 0.00 C ATOM 465 CG1 ILE A 92 0.809 -1.246 3.110 1.00 0.00 C ATOM 466 CG2 ILE A 92 2.691 -0.751 1.547 1.00 0.00 C ATOM 467 CD1 ILE A 92 1.138 -0.091 4.061 1.00 0.00 C ATOM 0 H ILE A 92 1.413 -3.895 3.662 1.00 0.00 H new ATOM 0 HA ILE A 92 1.015 -2.887 1.000 1.00 0.00 H new ATOM 0 HB ILE A 92 2.817 -2.010 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.142 -0.901 2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.285 -2.036 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.906 0.166 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.612 -1.136 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.974 -0.540 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.216 0.299 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.789 -0.450 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.644 0.702 3.510 1.00 0.00 H new ATOM 479 N GLN A 93 3.981 -4.138 1.729 1.00 0.00 N ATOM 480 CA GLN A 93 5.249 -4.622 1.110 1.00 0.00 C ATOM 481 C GLN A 93 4.930 -5.715 0.086 1.00 0.00 C ATOM 482 O GLN A 93 5.527 -5.784 -0.972 1.00 0.00 O ATOM 483 CB GLN A 93 6.153 -5.198 2.203 1.00 0.00 C ATOM 484 CG GLN A 93 7.479 -5.650 1.590 1.00 0.00 C ATOM 485 CD GLN A 93 8.433 -6.102 2.699 1.00 0.00 C ATOM 486 OE1 GLN A 93 8.228 -5.794 3.858 1.00 0.00 O ATOM 487 NE2 GLN A 93 9.475 -6.825 2.391 1.00 0.00 N ATOM 0 H GLN A 93 3.901 -4.306 2.732 1.00 0.00 H new ATOM 0 HA GLN A 93 5.755 -3.794 0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 93 6.334 -4.447 2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.660 -6.040 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.307 -6.467 0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.926 -4.833 1.023 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.647 -7.083 1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.117 -7.132 3.122 1.00 0.00 H new ATOM 496 N HIS A 94 3.992 -6.572 0.396 1.00 0.00 N ATOM 497 CA HIS A 94 3.623 -7.659 -0.547 1.00 0.00 C ATOM 498 C HIS A 94 3.084 -7.055 -1.844 1.00 0.00 C ATOM 499 O HIS A 94 3.366 -7.528 -2.928 1.00 0.00 O ATOM 500 CB HIS A 94 2.543 -8.525 0.098 1.00 0.00 C ATOM 501 CG HIS A 94 2.181 -9.645 -0.828 1.00 0.00 C ATOM 502 ND1 HIS A 94 2.850 -9.867 -2.020 1.00 0.00 N ATOM 503 CD2 HIS A 94 1.222 -10.614 -0.747 1.00 0.00 C ATOM 504 CE1 HIS A 94 2.285 -10.938 -2.607 1.00 0.00 C ATOM 505 NE2 HIS A 94 1.285 -11.434 -1.871 1.00 0.00 N ATOM 0 H HIS A 94 3.465 -6.562 1.269 1.00 0.00 H new ATOM 0 HA HIS A 94 4.501 -8.265 -0.773 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.901 -8.925 1.047 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.662 -7.922 0.318 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.629 -9.319 -2.386 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.520 -10.727 0.066 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.600 -11.347 -3.556 1.00 0.00 H new ATOM 513 N ALA A 95 2.300 -6.017 -1.738 1.00 0.00 N ATOM 514 CA ALA A 95 1.733 -5.378 -2.960 1.00 0.00 C ATOM 515 C ALA A 95 2.867 -4.793 -3.809 1.00 0.00 C ATOM 516 O ALA A 95 2.884 -4.914 -5.018 1.00 0.00 O ATOM 517 CB ALA A 95 0.777 -4.253 -2.539 1.00 0.00 C ATOM 0 H ALA A 95 2.027 -5.583 -0.856 1.00 0.00 H new ATOM 0 HA ALA A 95 1.193 -6.122 -3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.358 -3.780 -3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.029 -4.668 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.323 -3.511 -1.956 1.00 0.00 H new ATOM 523 N ILE A 96 3.812 -4.159 -3.174 1.00 0.00 N ATOM 524 CA ILE A 96 4.947 -3.552 -3.925 1.00 0.00 C ATOM 525 C ILE A 96 5.730 -4.653 -4.642 1.00 0.00 C ATOM 526 O ILE A 96 6.116 -4.511 -5.786 1.00 0.00 O ATOM 527 CB ILE A 96 5.869 -2.827 -2.939 1.00 0.00 C ATOM 528 CG1 ILE A 96 5.144 -1.604 -2.358 1.00 0.00 C ATOM 529 CG2 ILE A 96 7.138 -2.365 -3.662 1.00 0.00 C ATOM 530 CD1 ILE A 96 5.901 -1.080 -1.128 1.00 0.00 C ATOM 0 H ILE A 96 3.848 -4.034 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 96 4.566 -2.843 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 96 6.137 -3.510 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.073 -0.821 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.125 -1.873 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.791 -1.850 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.658 -3.230 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.869 -1.686 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.380 -0.213 -0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.949 -1.862 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.912 -0.793 -1.418 1.00 0.00 H new ATOM 542 N GLU A 97 5.975 -5.744 -3.973 1.00 0.00 N ATOM 543 CA GLU A 97 6.738 -6.852 -4.609 1.00 0.00 C ATOM 544 C GLU A 97 5.898 -7.471 -5.732 1.00 0.00 C ATOM 545 O GLU A 97 6.405 -7.829 -6.778 1.00 0.00 O ATOM 546 CB GLU A 97 7.052 -7.919 -3.559 1.00 0.00 C ATOM 547 CG GLU A 97 8.028 -8.946 -4.139 1.00 0.00 C ATOM 548 CD GLU A 97 9.409 -8.307 -4.302 1.00 0.00 C ATOM 549 OE1 GLU A 97 9.573 -7.179 -3.869 1.00 0.00 O ATOM 550 OE2 GLU A 97 10.281 -8.960 -4.852 1.00 0.00 O ATOM 0 H GLU A 97 5.679 -5.916 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 97 7.668 -6.464 -5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.483 -7.454 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.133 -8.414 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.093 -9.813 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.665 -9.303 -5.103 1.00 0.00 H new ATOM 557 N ARG A 98 4.615 -7.603 -5.516 1.00 0.00 N ATOM 558 CA ARG A 98 3.730 -8.197 -6.563 1.00 0.00 C ATOM 559 C ARG A 98 3.676 -7.256 -7.771 1.00 0.00 C ATOM 560 O ARG A 98 3.743 -7.679 -8.910 1.00 0.00 O ATOM 561 CB ARG A 98 2.320 -8.382 -5.985 1.00 0.00 C ATOM 562 CG ARG A 98 1.418 -9.071 -7.017 1.00 0.00 C ATOM 563 CD ARG A 98 -0.007 -9.193 -6.466 1.00 0.00 C ATOM 564 NE ARG A 98 -0.016 -10.086 -5.269 1.00 0.00 N ATOM 565 CZ ARG A 98 -0.081 -11.385 -5.405 1.00 0.00 C ATOM 566 NH1 ARG A 98 -0.129 -11.927 -6.593 1.00 0.00 N ATOM 567 NH2 ARG A 98 -0.100 -12.145 -4.345 1.00 0.00 N ATOM 0 H ARG A 98 4.140 -7.324 -4.657 1.00 0.00 H new ATOM 0 HA ARG A 98 4.122 -9.164 -6.877 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.367 -8.979 -5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.900 -7.414 -5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.411 -8.500 -7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.811 -10.059 -7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.388 -8.208 -6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.670 -9.593 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 98 0.029 -9.678 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.116 -11.336 -7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.180 -12.941 -6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.064 -11.725 -3.416 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.151 -13.159 -4.445 1.00 0.00 H new ATOM 581 N PHE A 99 3.557 -5.979 -7.521 1.00 0.00 N ATOM 582 CA PHE A 99 3.499 -4.982 -8.630 1.00 0.00 C ATOM 583 C PHE A 99 4.915 -4.489 -8.933 1.00 0.00 C ATOM 584 O PHE A 99 5.116 -3.424 -9.485 1.00 0.00 O ATOM 585 CB PHE A 99 2.608 -3.800 -8.220 1.00 0.00 C ATOM 586 CG PHE A 99 1.200 -4.291 -7.935 1.00 0.00 C ATOM 587 CD1 PHE A 99 0.464 -4.940 -8.938 1.00 0.00 C ATOM 588 CD2 PHE A 99 0.628 -4.099 -6.668 1.00 0.00 C ATOM 589 CE1 PHE A 99 -0.831 -5.397 -8.674 1.00 0.00 C ATOM 590 CE2 PHE A 99 -0.670 -4.556 -6.407 1.00 0.00 C ATOM 591 CZ PHE A 99 -1.398 -5.205 -7.410 1.00 0.00 C ATOM 0 H PHE A 99 3.497 -5.580 -6.584 1.00 0.00 H new ATOM 0 HA PHE A 99 3.077 -5.447 -9.521 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.019 -3.313 -7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.589 -3.054 -9.015 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.898 -5.087 -9.916 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.189 -3.598 -5.893 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.394 -5.899 -9.447 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.109 -4.407 -5.431 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.399 -5.558 -7.208 1.00 0.00 H new ATOM 601 N ASN A 100 5.899 -5.264 -8.564 1.00 0.00 N ATOM 602 CA ASN A 100 7.315 -4.867 -8.810 1.00 0.00 C ATOM 603 C ASN A 100 7.530 -4.641 -10.309 1.00 0.00 C ATOM 604 O ASN A 100 8.214 -3.720 -10.717 1.00 0.00 O ATOM 605 CB ASN A 100 8.236 -5.993 -8.332 1.00 0.00 C ATOM 606 CG ASN A 100 9.695 -5.630 -8.616 1.00 0.00 C ATOM 607 OD1 ASN A 100 9.974 -4.617 -9.226 1.00 0.00 O ATOM 608 ND2 ASN A 100 10.646 -6.422 -8.196 1.00 0.00 N ATOM 0 H ASN A 100 5.781 -6.164 -8.098 1.00 0.00 H new ATOM 0 HA ASN A 100 7.539 -3.947 -8.270 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.095 -6.161 -7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.979 -6.924 -8.837 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.622 -6.190 -8.380 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.412 -7.273 -7.684 1.00 0.00 H new ATOM 615 N THR A 101 6.951 -5.474 -11.131 1.00 0.00 N ATOM 616 CA THR A 101 7.116 -5.310 -12.603 1.00 0.00 C ATOM 617 C THR A 101 6.063 -4.333 -13.122 1.00 0.00 C ATOM 618 O THR A 101 6.126 -3.883 -14.251 1.00 0.00 O ATOM 619 CB THR A 101 6.926 -6.665 -13.292 1.00 0.00 C ATOM 620 OG1 THR A 101 5.581 -7.093 -13.120 1.00 0.00 O ATOM 621 CG2 THR A 101 7.874 -7.693 -12.675 1.00 0.00 C ATOM 0 H THR A 101 6.370 -6.262 -10.846 1.00 0.00 H new ATOM 0 HA THR A 101 8.114 -4.927 -12.817 1.00 0.00 H new ATOM 0 HB THR A 101 7.146 -6.568 -14.355 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.454 -7.959 -13.561 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.737 -8.656 -13.167 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.904 -7.362 -12.806 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.658 -7.795 -11.611 1.00 0.00 H new ATOM 629 N LYS A 102 5.093 -4.000 -12.303 1.00 0.00 N ATOM 630 CA LYS A 102 4.026 -3.045 -12.736 1.00 0.00 C ATOM 631 C LYS A 102 4.194 -1.711 -11.983 1.00 0.00 C ATOM 632 O LYS A 102 3.842 -1.605 -10.825 1.00 0.00 O ATOM 633 CB LYS A 102 2.656 -3.646 -12.424 1.00 0.00 C ATOM 634 CG LYS A 102 2.366 -4.756 -13.441 1.00 0.00 C ATOM 635 CD LYS A 102 1.187 -5.600 -12.967 1.00 0.00 C ATOM 636 CE LYS A 102 -0.046 -4.711 -12.796 1.00 0.00 C ATOM 637 NZ LYS A 102 -1.264 -5.565 -12.742 1.00 0.00 N ATOM 0 H LYS A 102 4.995 -4.351 -11.350 1.00 0.00 H new ATOM 0 HA LYS A 102 4.107 -2.864 -13.808 1.00 0.00 H new ATOM 0 HB2 LYS A 102 2.641 -4.048 -11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 102 1.885 -2.877 -12.473 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.144 -4.320 -14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.247 -5.385 -13.567 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.980 -6.391 -13.688 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.431 -6.086 -12.022 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.040 -4.122 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.118 -4.006 -13.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.902 -5.213 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.750 -5.535 -13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.991 -6.545 -12.527 1.00 0.00 H new ATOM 651 N PRO A 103 4.720 -0.696 -12.636 1.00 0.00 N ATOM 652 CA PRO A 103 4.925 0.649 -12.013 1.00 0.00 C ATOM 653 C PRO A 103 3.664 1.194 -11.329 1.00 0.00 C ATOM 654 O PRO A 103 2.550 0.885 -11.705 1.00 0.00 O ATOM 655 CB PRO A 103 5.323 1.546 -13.199 1.00 0.00 C ATOM 656 CG PRO A 103 5.899 0.619 -14.221 1.00 0.00 C ATOM 657 CD PRO A 103 5.194 -0.722 -14.034 1.00 0.00 C ATOM 0 HA PRO A 103 5.673 0.607 -11.221 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.459 2.080 -13.595 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.051 2.298 -12.896 1.00 0.00 H new ATOM 0 HG2 PRO A 103 5.740 1.004 -15.228 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.976 0.514 -14.087 1.00 0.00 H new ATOM 0 HD2 PRO A 103 4.365 -0.836 -14.733 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.874 -1.556 -14.208 1.00 0.00 H new ATOM 665 N ILE A 104 3.847 2.004 -10.320 1.00 0.00 N ATOM 666 CA ILE A 104 2.684 2.583 -9.592 1.00 0.00 C ATOM 667 C ILE A 104 1.865 3.453 -10.549 1.00 0.00 C ATOM 668 O ILE A 104 0.649 3.474 -10.504 1.00 0.00 O ATOM 669 CB ILE A 104 3.193 3.447 -8.429 1.00 0.00 C ATOM 670 CG1 ILE A 104 2.008 3.888 -7.566 1.00 0.00 C ATOM 671 CG2 ILE A 104 3.912 4.686 -8.976 1.00 0.00 C ATOM 672 CD1 ILE A 104 2.522 4.517 -6.268 1.00 0.00 C ATOM 0 H ILE A 104 4.760 2.290 -9.968 1.00 0.00 H new ATOM 0 HA ILE A 104 2.058 1.779 -9.205 1.00 0.00 H new ATOM 0 HB ILE A 104 3.889 2.863 -7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.395 4.606 -8.112 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.372 3.032 -7.340 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.271 5.295 -8.146 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.757 4.375 -9.590 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.220 5.271 -9.582 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.676 4.830 -5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.116 3.786 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.140 5.384 -6.503 1.00 0.00 H new ATOM 684 N GLN A 105 2.533 4.181 -11.399 1.00 0.00 N ATOM 685 CA GLN A 105 1.822 5.072 -12.359 1.00 0.00 C ATOM 686 C GLN A 105 1.119 4.243 -13.439 1.00 0.00 C ATOM 687 O GLN A 105 0.325 4.757 -14.203 1.00 0.00 O ATOM 688 CB GLN A 105 2.834 6.021 -13.009 1.00 0.00 C ATOM 689 CG GLN A 105 3.894 5.214 -13.765 1.00 0.00 C ATOM 690 CD GLN A 105 4.968 6.160 -14.307 1.00 0.00 C ATOM 691 OE1 GLN A 105 5.480 6.995 -13.587 1.00 0.00 O ATOM 692 NE2 GLN A 105 5.334 6.067 -15.558 1.00 0.00 N ATOM 0 H GLN A 105 3.550 4.197 -11.471 1.00 0.00 H new ATOM 0 HA GLN A 105 1.069 5.648 -11.821 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.323 6.698 -13.694 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.309 6.638 -12.246 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.346 4.476 -13.102 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.431 4.665 -14.585 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.906 5.367 -16.164 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.048 6.694 -15.928 1.00 0.00 H new ATOM 701 N THR A 106 1.400 2.964 -13.511 1.00 0.00 N ATOM 702 CA THR A 106 0.740 2.101 -14.543 1.00 0.00 C ATOM 703 C THR A 106 -0.407 1.322 -13.893 1.00 0.00 C ATOM 704 O THR A 106 -1.098 0.558 -14.542 1.00 0.00 O ATOM 705 CB THR A 106 1.762 1.117 -15.124 1.00 0.00 C ATOM 706 OG1 THR A 106 2.527 0.551 -14.070 1.00 0.00 O ATOM 707 CG2 THR A 106 2.691 1.850 -16.096 1.00 0.00 C ATOM 0 H THR A 106 2.058 2.480 -12.900 1.00 0.00 H new ATOM 0 HA THR A 106 0.349 2.728 -15.344 1.00 0.00 H new ATOM 0 HB THR A 106 1.237 0.325 -15.658 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.012 0.585 -13.237 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.416 1.147 -16.507 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.103 2.280 -16.907 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.216 2.645 -15.567 1.00 0.00 H new ATOM 715 N ILE A 107 -0.619 1.512 -12.615 1.00 0.00 N ATOM 716 CA ILE A 107 -1.724 0.784 -11.927 1.00 0.00 C ATOM 717 C ILE A 107 -3.069 1.388 -12.328 1.00 0.00 C ATOM 718 O ILE A 107 -3.261 2.589 -12.296 1.00 0.00 O ATOM 719 CB ILE A 107 -1.558 0.880 -10.405 1.00 0.00 C ATOM 720 CG1 ILE A 107 -0.298 0.118 -9.981 1.00 0.00 C ATOM 721 CG2 ILE A 107 -2.783 0.269 -9.714 1.00 0.00 C ATOM 722 CD1 ILE A 107 -0.013 0.376 -8.499 1.00 0.00 C ATOM 0 H ILE A 107 -0.075 2.138 -12.021 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.689 -0.264 -12.224 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.465 1.927 -10.116 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.431 -0.950 -10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.552 0.436 -10.585 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.663 0.338 -8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.679 0.812 -10.015 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.879 -0.778 -10.002 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.884 -0.167 -8.201 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.139 1.443 -8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.859 0.036 -7.901 1.00 0.00 H new ATOM 734 N LYS A 108 -4.004 0.552 -12.704 1.00 0.00 N ATOM 735 CA LYS A 108 -5.352 1.048 -13.115 1.00 0.00 C ATOM 736 C LYS A 108 -6.363 0.811 -11.993 1.00 0.00 C ATOM 737 O LYS A 108 -6.085 0.155 -11.006 1.00 0.00 O ATOM 738 CB LYS A 108 -5.807 0.315 -14.384 1.00 0.00 C ATOM 739 CG LYS A 108 -5.580 -1.193 -14.240 1.00 0.00 C ATOM 740 CD LYS A 108 -5.982 -1.892 -15.543 1.00 0.00 C ATOM 741 CE LYS A 108 -5.735 -3.397 -15.417 1.00 0.00 C ATOM 742 NZ LYS A 108 -6.125 -4.074 -16.688 1.00 0.00 N ATOM 0 H LYS A 108 -3.890 -0.461 -12.744 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.290 2.117 -13.317 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.863 0.514 -14.568 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.257 0.691 -15.246 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.533 -1.395 -14.014 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.167 -1.583 -13.408 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.033 -1.703 -15.759 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.407 -1.488 -16.376 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.684 -3.587 -15.199 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -6.311 -3.802 -14.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.957 -5.097 -16.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.133 -3.903 -16.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.557 -3.694 -17.472 1.00 0.00 H new ATOM 756 N LYS A 109 -7.534 1.364 -12.143 1.00 0.00 N ATOM 757 CA LYS A 109 -8.594 1.212 -11.107 1.00 0.00 C ATOM 758 C LYS A 109 -8.971 -0.264 -10.948 1.00 0.00 C ATOM 759 O LYS A 109 -9.256 -0.729 -9.860 1.00 0.00 O ATOM 760 CB LYS A 109 -9.828 2.010 -11.542 1.00 0.00 C ATOM 761 CG LYS A 109 -10.109 1.763 -13.032 1.00 0.00 C ATOM 762 CD LYS A 109 -11.463 2.371 -13.411 1.00 0.00 C ATOM 763 CE LYS A 109 -11.392 3.899 -13.337 1.00 0.00 C ATOM 764 NZ LYS A 109 -12.545 4.486 -14.076 1.00 0.00 N ATOM 0 H LYS A 109 -7.806 1.923 -12.952 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.223 1.584 -10.152 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -10.692 1.715 -10.946 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -9.666 3.073 -11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.319 2.205 -13.639 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.109 0.693 -13.239 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.741 2.060 -14.418 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.237 2.002 -12.738 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.409 4.225 -12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.454 4.251 -13.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.497 5.524 -14.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -12.509 4.185 -15.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.435 4.159 -13.648 1.00 0.00 H new ATOM 778 N HIS A 110 -8.988 -0.996 -12.024 1.00 0.00 N ATOM 779 CA HIS A 110 -9.360 -2.437 -11.945 1.00 0.00 C ATOM 780 C HIS A 110 -8.362 -3.196 -11.065 1.00 0.00 C ATOM 781 O HIS A 110 -8.739 -3.962 -10.199 1.00 0.00 O ATOM 782 CB HIS A 110 -9.349 -3.032 -13.354 1.00 0.00 C ATOM 783 CG HIS A 110 -9.727 -4.484 -13.282 1.00 0.00 C ATOM 784 ND1 HIS A 110 -10.500 -4.992 -12.252 1.00 0.00 N ATOM 785 CD2 HIS A 110 -9.441 -5.549 -14.099 1.00 0.00 C ATOM 786 CE1 HIS A 110 -10.651 -6.311 -12.471 1.00 0.00 C ATOM 787 NE2 HIS A 110 -10.025 -6.703 -13.584 1.00 0.00 N ATOM 0 H HIS A 110 -8.760 -0.659 -12.959 1.00 0.00 H new ATOM 0 HA HIS A 110 -10.354 -2.527 -11.507 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.048 -2.494 -13.994 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -8.360 -2.923 -13.800 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -8.853 -5.499 -15.003 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -11.210 -6.972 -11.826 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.984 -7.645 -13.973 1.00 0.00 H new ATOM 795 N ASP A 111 -7.094 -2.988 -11.284 1.00 0.00 N ATOM 796 CA ASP A 111 -6.059 -3.689 -10.469 1.00 0.00 C ATOM 797 C ASP A 111 -6.154 -3.225 -9.013 1.00 0.00 C ATOM 798 O ASP A 111 -5.941 -3.988 -8.090 1.00 0.00 O ATOM 799 CB ASP A 111 -4.673 -3.360 -11.028 1.00 0.00 C ATOM 800 CG ASP A 111 -3.597 -4.078 -10.212 1.00 0.00 C ATOM 801 OD1 ASP A 111 -3.941 -4.678 -9.207 1.00 0.00 O ATOM 802 OD2 ASP A 111 -2.443 -4.015 -10.606 1.00 0.00 O ATOM 0 H ASP A 111 -6.726 -2.358 -11.997 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.223 -4.766 -10.512 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.612 -3.663 -12.073 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.506 -2.283 -10.998 1.00 0.00 H new ATOM 807 N TYR A 112 -6.471 -1.976 -8.806 1.00 0.00 N ATOM 808 CA TYR A 112 -6.585 -1.447 -7.416 1.00 0.00 C ATOM 809 C TYR A 112 -7.681 -2.209 -6.668 1.00 0.00 C ATOM 810 O TYR A 112 -7.507 -2.623 -5.537 1.00 0.00 O ATOM 811 CB TYR A 112 -6.940 0.040 -7.465 1.00 0.00 C ATOM 812 CG TYR A 112 -7.150 0.554 -6.061 1.00 0.00 C ATOM 813 CD1 TYR A 112 -6.049 0.771 -5.225 1.00 0.00 C ATOM 814 CD2 TYR A 112 -8.446 0.809 -5.592 1.00 0.00 C ATOM 815 CE1 TYR A 112 -6.242 1.244 -3.922 1.00 0.00 C ATOM 816 CE2 TYR A 112 -8.638 1.282 -4.289 1.00 0.00 C ATOM 817 CZ TYR A 112 -7.536 1.499 -3.455 1.00 0.00 C ATOM 818 OH TYR A 112 -7.726 1.965 -2.171 1.00 0.00 O ATOM 0 H TYR A 112 -6.657 -1.296 -9.543 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.635 -1.577 -6.898 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -6.142 0.599 -7.953 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.843 0.190 -8.057 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -5.050 0.573 -5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -9.296 0.640 -6.236 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.392 1.412 -3.277 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -9.636 1.479 -3.927 1.00 0.00 H new ATOM 0 HH TYR A 112 -8.681 1.940 -1.952 1.00 0.00 H new ATOM 828 N GLN A 113 -8.807 -2.400 -7.297 1.00 0.00 N ATOM 829 CA GLN A 113 -9.919 -3.144 -6.640 1.00 0.00 C ATOM 830 C GLN A 113 -9.474 -4.587 -6.399 1.00 0.00 C ATOM 831 O GLN A 113 -9.781 -5.188 -5.386 1.00 0.00 O ATOM 832 CB GLN A 113 -11.146 -3.130 -7.557 1.00 0.00 C ATOM 833 CG GLN A 113 -11.823 -1.758 -7.503 1.00 0.00 C ATOM 834 CD GLN A 113 -12.475 -1.566 -6.132 1.00 0.00 C ATOM 835 OE1 GLN A 113 -13.490 -2.167 -5.837 1.00 0.00 O ATOM 836 NE2 GLN A 113 -11.921 -0.760 -5.268 1.00 0.00 N ATOM 0 H GLN A 113 -9.006 -2.072 -8.242 1.00 0.00 H new ATOM 0 HA GLN A 113 -10.173 -2.675 -5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.848 -3.358 -8.580 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.849 -3.904 -7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.090 -0.971 -7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.574 -1.680 -8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -11.070 -0.255 -5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.339 -0.635 -4.346 1.00 0.00 H new ATOM 845 N ARG A 114 -8.747 -5.142 -7.330 1.00 0.00 N ATOM 846 CA ARG A 114 -8.262 -6.545 -7.178 1.00 0.00 C ATOM 847 C ARG A 114 -7.378 -6.644 -5.934 1.00 0.00 C ATOM 848 O ARG A 114 -7.479 -7.573 -5.155 1.00 0.00 O ATOM 849 CB ARG A 114 -7.444 -6.922 -8.416 1.00 0.00 C ATOM 850 CG ARG A 114 -6.999 -8.384 -8.325 1.00 0.00 C ATOM 851 CD ARG A 114 -6.176 -8.745 -9.564 1.00 0.00 C ATOM 852 NE ARG A 114 -5.885 -10.209 -9.567 1.00 0.00 N ATOM 853 CZ ARG A 114 -4.862 -10.686 -8.905 1.00 0.00 C ATOM 854 NH1 ARG A 114 -4.091 -9.891 -8.214 1.00 0.00 N ATOM 855 NH2 ARG A 114 -4.613 -11.967 -8.936 1.00 0.00 N ATOM 0 H ARG A 114 -8.466 -4.681 -8.195 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.110 -7.222 -7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -8.040 -6.770 -9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -6.572 -6.273 -8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -6.406 -8.539 -7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -7.869 -9.036 -8.251 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -6.722 -8.471 -10.467 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.244 -8.179 -9.571 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.489 -10.843 -10.090 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.284 -8.890 -8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.296 -10.271 -7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.214 -12.591 -9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.817 -12.344 -8.422 1.00 0.00 H new ATOM 869 N PHE A 115 -6.512 -5.688 -5.749 1.00 0.00 N ATOM 870 CA PHE A 115 -5.611 -5.699 -4.562 1.00 0.00 C ATOM 871 C PHE A 115 -6.444 -5.620 -3.285 1.00 0.00 C ATOM 872 O PHE A 115 -6.194 -6.317 -2.323 1.00 0.00 O ATOM 873 CB PHE A 115 -4.669 -4.495 -4.633 1.00 0.00 C ATOM 874 CG PHE A 115 -3.827 -4.422 -3.376 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.959 -5.472 -3.053 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.916 -3.304 -2.532 1.00 0.00 C ATOM 877 CE1 PHE A 115 -2.182 -5.406 -1.890 1.00 0.00 C ATOM 878 CE2 PHE A 115 -3.138 -3.240 -1.370 1.00 0.00 C ATOM 879 CZ PHE A 115 -2.271 -4.291 -1.049 1.00 0.00 C ATOM 0 H PHE A 115 -6.388 -4.892 -6.375 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.029 -6.620 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.025 -4.578 -5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.246 -3.577 -4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.889 -6.333 -3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.585 -2.493 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.513 -6.217 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.207 -2.379 -0.721 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.671 -4.241 -0.152 1.00 0.00 H new ATOM 889 N VAL A 116 -7.426 -4.760 -3.273 1.00 0.00 N ATOM 890 CA VAL A 116 -8.286 -4.602 -2.065 1.00 0.00 C ATOM 891 C VAL A 116 -8.984 -5.929 -1.753 1.00 0.00 C ATOM 892 O VAL A 116 -9.029 -6.370 -0.619 1.00 0.00 O ATOM 893 CB VAL A 116 -9.339 -3.530 -2.350 1.00 0.00 C ATOM 894 CG1 VAL A 116 -10.328 -3.452 -1.185 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.654 -2.172 -2.530 1.00 0.00 C ATOM 0 H VAL A 116 -7.672 -4.154 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.675 -4.310 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.877 -3.790 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -11.076 -2.687 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.820 -4.416 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.793 -3.197 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.406 -1.409 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -8.112 -1.914 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.956 -2.225 -3.365 1.00 0.00 H new ATOM 905 N ASP A 117 -9.528 -6.564 -2.753 1.00 0.00 N ATOM 906 CA ASP A 117 -10.224 -7.863 -2.534 1.00 0.00 C ATOM 907 C ASP A 117 -9.193 -8.950 -2.212 1.00 0.00 C ATOM 908 O ASP A 117 -9.482 -9.917 -1.533 1.00 0.00 O ATOM 909 CB ASP A 117 -10.985 -8.244 -3.804 1.00 0.00 C ATOM 910 CG ASP A 117 -12.177 -7.303 -3.992 1.00 0.00 C ATOM 911 OD1 ASP A 117 -12.518 -6.615 -3.044 1.00 0.00 O ATOM 912 OD2 ASP A 117 -12.727 -7.286 -5.080 1.00 0.00 O ATOM 0 H ASP A 117 -9.520 -6.237 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.921 -7.769 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -10.323 -8.185 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.331 -9.276 -3.737 1.00 0.00 H new ATOM 917 N ASP A 118 -7.995 -8.799 -2.708 1.00 0.00 N ATOM 918 CA ASP A 118 -6.933 -9.816 -2.447 1.00 0.00 C ATOM 919 C ASP A 118 -6.547 -9.797 -0.966 1.00 0.00 C ATOM 920 O ASP A 118 -6.402 -10.827 -0.335 1.00 0.00 O ATOM 921 CB ASP A 118 -5.703 -9.482 -3.293 1.00 0.00 C ATOM 922 CG ASP A 118 -4.614 -10.531 -3.061 1.00 0.00 C ATOM 923 OD1 ASP A 118 -4.793 -11.361 -2.184 1.00 0.00 O ATOM 924 OD2 ASP A 118 -3.616 -10.485 -3.762 1.00 0.00 O ATOM 0 H ASP A 118 -7.703 -8.011 -3.286 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.308 -10.806 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -5.973 -9.453 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -5.329 -8.492 -3.032 1.00 0.00 H new ATOM 929 N ILE A 119 -6.369 -8.627 -0.412 1.00 0.00 N ATOM 930 CA ILE A 119 -5.982 -8.525 1.026 1.00 0.00 C ATOM 931 C ILE A 119 -7.194 -8.815 1.911 1.00 0.00 C ATOM 932 O ILE A 119 -7.064 -9.240 3.042 1.00 0.00 O ATOM 933 CB ILE A 119 -5.460 -7.112 1.314 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.540 -6.074 0.976 1.00 0.00 C ATOM 935 CG2 ILE A 119 -4.216 -6.842 0.464 1.00 0.00 C ATOM 936 CD1 ILE A 119 -6.065 -4.681 1.395 1.00 0.00 C ATOM 0 H ILE A 119 -6.475 -7.735 -0.895 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.200 -9.253 1.242 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.206 -7.036 2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.752 -6.090 -0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.469 -6.322 1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.846 -5.838 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.443 -7.571 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.472 -6.925 -0.592 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.834 -3.947 1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -5.876 -4.669 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -5.147 -4.434 0.862 1.00 0.00 H new ATOM 948 N SER A 120 -8.374 -8.576 1.408 1.00 0.00 N ATOM 949 CA SER A 120 -9.597 -8.828 2.221 1.00 0.00 C ATOM 950 C SER A 120 -9.698 -10.321 2.526 1.00 0.00 C ATOM 951 O SER A 120 -10.170 -10.725 3.573 1.00 0.00 O ATOM 952 CB SER A 120 -10.834 -8.380 1.440 1.00 0.00 C ATOM 953 OG SER A 120 -10.909 -9.107 0.220 1.00 0.00 O ATOM 0 H SER A 120 -8.544 -8.217 0.469 1.00 0.00 H new ATOM 0 HA SER A 120 -9.538 -8.267 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.733 -8.548 2.033 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.782 -7.310 1.237 1.00 0.00 H new ATOM 0 HG SER A 120 -10.014 -9.415 -0.033 1.00 0.00 H new ATOM 959 N ALA A 121 -9.262 -11.141 1.612 1.00 0.00 N ATOM 960 CA ALA A 121 -9.327 -12.615 1.824 1.00 0.00 C ATOM 961 C ALA A 121 -8.099 -13.082 2.611 1.00 0.00 C ATOM 962 O ALA A 121 -8.011 -14.226 3.015 1.00 0.00 O ATOM 963 CB ALA A 121 -9.355 -13.313 0.465 1.00 0.00 C ATOM 0 H ALA A 121 -8.860 -10.852 0.720 1.00 0.00 H new ATOM 0 HA ALA A 121 -10.227 -12.862 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.403 -14.392 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -10.230 -12.984 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.452 -13.062 -0.092 1.00 0.00 H new ATOM 969 N GLN A 122 -7.149 -12.204 2.831 1.00 0.00 N ATOM 970 CA GLN A 122 -5.915 -12.579 3.595 1.00 0.00 C ATOM 971 C GLN A 122 -5.864 -11.788 4.902 1.00 0.00 C ATOM 972 O GLN A 122 -5.177 -12.160 5.835 1.00 0.00 O ATOM 973 CB GLN A 122 -4.674 -12.247 2.762 1.00 0.00 C ATOM 974 CG GLN A 122 -4.589 -13.200 1.567 1.00 0.00 C ATOM 975 CD GLN A 122 -3.344 -12.876 0.739 1.00 0.00 C ATOM 976 OE1 GLN A 122 -2.265 -13.354 1.030 1.00 0.00 O ATOM 977 NE2 GLN A 122 -3.448 -12.080 -0.289 1.00 0.00 N ATOM 0 H GLN A 122 -7.176 -11.236 2.511 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.937 -13.647 3.811 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.722 -11.215 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -3.777 -12.335 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.548 -14.232 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.483 -13.106 0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -4.353 -11.679 -0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.624 -11.859 -0.848 1.00 0.00 H new ATOM 986 N TYR A 123 -6.580 -10.690 4.971 1.00 0.00 N ATOM 987 CA TYR A 123 -6.574 -9.851 6.212 1.00 0.00 C ATOM 988 C TYR A 123 -8.005 -9.522 6.637 1.00 0.00 C ATOM 989 O TYR A 123 -8.930 -9.546 5.847 1.00 0.00 O ATOM 990 CB TYR A 123 -5.819 -8.549 5.945 1.00 0.00 C ATOM 991 CG TYR A 123 -4.371 -8.856 5.648 1.00 0.00 C ATOM 992 CD1 TYR A 123 -3.968 -9.134 4.337 1.00 0.00 C ATOM 993 CD2 TYR A 123 -3.431 -8.858 6.685 1.00 0.00 C ATOM 994 CE1 TYR A 123 -2.624 -9.414 4.062 1.00 0.00 C ATOM 995 CE2 TYR A 123 -2.087 -9.138 6.411 1.00 0.00 C ATOM 996 CZ TYR A 123 -1.684 -9.416 5.100 1.00 0.00 C ATOM 997 OH TYR A 123 -0.358 -9.690 4.830 1.00 0.00 O ATOM 0 H TYR A 123 -7.171 -10.338 4.218 1.00 0.00 H new ATOM 0 HA TYR A 123 -6.083 -10.409 7.010 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.269 -8.021 5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -5.892 -7.890 6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -4.694 -9.133 3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -3.743 -8.644 7.697 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -2.313 -9.628 3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -1.361 -9.139 7.211 1.00 0.00 H new ATOM 0 HH TYR A 123 0.160 -9.649 5.661 1.00 0.00 H new ATOM 1007 N SER A 124 -8.184 -9.221 7.895 1.00 0.00 N ATOM 1008 CA SER A 124 -9.540 -8.894 8.419 1.00 0.00 C ATOM 1009 C SER A 124 -9.996 -7.522 7.910 1.00 0.00 C ATOM 1010 O SER A 124 -9.217 -6.732 7.416 1.00 0.00 O ATOM 1011 CB SER A 124 -9.496 -8.890 9.948 1.00 0.00 C ATOM 1012 OG SER A 124 -9.483 -10.232 10.415 1.00 0.00 O ATOM 0 H SER A 124 -7.438 -9.188 8.590 1.00 0.00 H new ATOM 0 HA SER A 124 -10.249 -9.644 8.070 1.00 0.00 H new ATOM 0 HB2 SER A 124 -8.609 -8.361 10.298 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.361 -8.361 10.348 1.00 0.00 H new ATOM 0 HG SER A 124 -9.453 -10.237 11.395 1.00 0.00 H new ATOM 1018 N LYS A 125 -11.269 -7.251 8.023 1.00 0.00 N ATOM 1019 CA LYS A 125 -11.828 -5.951 7.543 1.00 0.00 C ATOM 1020 C LYS A 125 -11.141 -4.778 8.253 1.00 0.00 C ATOM 1021 O LYS A 125 -10.849 -3.764 7.647 1.00 0.00 O ATOM 1022 CB LYS A 125 -13.328 -5.911 7.849 1.00 0.00 C ATOM 1023 CG LYS A 125 -13.943 -4.643 7.249 1.00 0.00 C ATOM 1024 CD LYS A 125 -15.455 -4.631 7.498 1.00 0.00 C ATOM 1025 CE LYS A 125 -16.066 -3.363 6.892 1.00 0.00 C ATOM 1026 NZ LYS A 125 -15.832 -3.349 5.420 1.00 0.00 N ATOM 0 H LYS A 125 -11.956 -7.884 8.433 1.00 0.00 H new ATOM 0 HA LYS A 125 -11.656 -5.865 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -13.817 -6.794 7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -13.490 -5.931 8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -13.485 -3.760 7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -13.741 -4.601 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -15.914 -5.515 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -15.658 -4.669 8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -17.135 -3.327 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -15.622 -2.479 7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -16.519 -2.715 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -14.868 -3.011 5.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -15.945 -4.311 5.041 1.00 0.00 H new ATOM 1040 N ASN A 126 -10.893 -4.898 9.528 1.00 0.00 N ATOM 1041 CA ASN A 126 -10.237 -3.778 10.266 1.00 0.00 C ATOM 1042 C ASN A 126 -8.846 -3.512 9.681 1.00 0.00 C ATOM 1043 O ASN A 126 -8.443 -2.379 9.497 1.00 0.00 O ATOM 1044 CB ASN A 126 -10.100 -4.157 11.742 1.00 0.00 C ATOM 1045 CG ASN A 126 -11.475 -4.150 12.414 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -11.765 -4.993 13.242 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -12.337 -3.223 12.100 1.00 0.00 N ATOM 0 H ASN A 126 -11.115 -5.719 10.091 1.00 0.00 H new ATOM 0 HA ASN A 126 -10.846 -2.879 10.169 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.647 -5.144 11.832 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -9.436 -3.455 12.246 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -13.253 -3.205 12.548 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -12.095 -2.516 11.406 1.00 0.00 H new ATOM 1054 N TYR A 127 -8.111 -4.550 9.388 1.00 0.00 N ATOM 1055 CA TYR A 127 -6.746 -4.371 8.809 1.00 0.00 C ATOM 1056 C TYR A 127 -6.857 -3.845 7.374 1.00 0.00 C ATOM 1057 O TYR A 127 -6.015 -3.104 6.903 1.00 0.00 O ATOM 1058 CB TYR A 127 -6.014 -5.716 8.812 1.00 0.00 C ATOM 1059 CG TYR A 127 -5.513 -6.023 10.206 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -6.414 -6.402 11.208 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -4.146 -5.922 10.497 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -5.949 -6.682 12.499 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -3.682 -6.201 11.787 1.00 0.00 C ATOM 1064 CZ TYR A 127 -4.583 -6.581 12.788 1.00 0.00 C ATOM 1065 OH TYR A 127 -4.125 -6.857 14.060 1.00 0.00 O ATOM 0 H TYR A 127 -8.397 -5.519 9.525 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.188 -3.652 9.409 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -6.685 -6.506 8.474 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.178 -5.687 8.113 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -7.468 -6.479 10.985 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -3.450 -5.629 9.725 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -6.644 -6.976 13.272 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.628 -6.123 12.010 1.00 0.00 H new ATOM 0 HH TYR A 127 -3.152 -6.740 14.090 1.00 0.00 H new ATOM 1075 N VAL A 128 -7.887 -4.234 6.677 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.064 -3.773 5.269 1.00 0.00 C ATOM 1077 C VAL A 128 -8.185 -2.246 5.241 1.00 0.00 C ATOM 1078 O VAL A 128 -7.612 -1.580 4.399 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.341 -4.404 4.697 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -9.721 -3.721 3.376 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.114 -5.902 4.448 1.00 0.00 C ATOM 0 H VAL A 128 -8.619 -4.855 7.023 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.205 -4.073 4.669 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.150 -4.272 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -10.628 -4.176 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -9.895 -2.659 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -8.910 -3.842 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.023 -6.345 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.298 -6.033 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.859 -6.393 5.388 1.00 0.00 H new ATOM 1091 N ASP A 129 -8.944 -1.695 6.145 1.00 0.00 N ATOM 1092 CA ASP A 129 -9.133 -0.217 6.174 1.00 0.00 C ATOM 1093 C ASP A 129 -7.779 0.488 6.320 1.00 0.00 C ATOM 1094 O ASP A 129 -7.489 1.446 5.628 1.00 0.00 O ATOM 1095 CB ASP A 129 -10.011 0.140 7.377 1.00 0.00 C ATOM 1096 CG ASP A 129 -11.453 -0.306 7.124 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -11.778 -0.572 5.979 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -12.205 -0.379 8.081 1.00 0.00 O ATOM 0 H ASP A 129 -9.445 -2.208 6.870 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.604 0.105 5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -9.625 -0.342 8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.980 1.215 7.554 1.00 0.00 H new ATOM 1103 N SER A 130 -6.955 0.031 7.223 1.00 0.00 N ATOM 1104 CA SER A 130 -5.623 0.676 7.424 1.00 0.00 C ATOM 1105 C SER A 130 -4.763 0.533 6.162 1.00 0.00 C ATOM 1106 O SER A 130 -4.076 1.453 5.759 1.00 0.00 O ATOM 1107 CB SER A 130 -4.913 0.010 8.601 1.00 0.00 C ATOM 1108 OG SER A 130 -5.729 0.108 9.761 1.00 0.00 O ATOM 0 H SER A 130 -7.146 -0.764 7.833 1.00 0.00 H new ATOM 0 HA SER A 130 -5.770 1.736 7.630 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.710 -1.036 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 130 -3.951 0.490 8.778 1.00 0.00 H new ATOM 0 HG SER A 130 -5.276 -0.320 10.517 1.00 0.00 H new ATOM 1114 N ILE A 131 -4.786 -0.618 5.543 1.00 0.00 N ATOM 1115 CA ILE A 131 -3.964 -0.825 4.313 1.00 0.00 C ATOM 1116 C ILE A 131 -4.464 0.099 3.199 1.00 0.00 C ATOM 1117 O ILE A 131 -3.689 0.707 2.484 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.083 -2.284 3.856 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -3.409 -3.201 4.883 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -3.393 -2.455 2.499 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -3.760 -4.661 4.581 1.00 0.00 C ATOM 0 H ILE A 131 -5.338 -1.424 5.836 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.921 -0.596 4.534 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.137 -2.547 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.328 -3.063 4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -3.737 -2.939 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.478 -3.492 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -3.869 -1.805 1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.340 -2.189 2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.279 -5.310 5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.841 -4.794 4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.410 -4.920 3.582 1.00 0.00 H new ATOM 1133 N VAL A 132 -5.755 0.196 3.043 1.00 0.00 N ATOM 1134 CA VAL A 132 -6.323 1.067 1.972 1.00 0.00 C ATOM 1135 C VAL A 132 -5.916 2.523 2.220 1.00 0.00 C ATOM 1136 O VAL A 132 -5.503 3.227 1.318 1.00 0.00 O ATOM 1137 CB VAL A 132 -7.852 0.955 1.997 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -8.470 2.011 1.070 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.274 -0.444 1.532 1.00 0.00 C ATOM 0 H VAL A 132 -6.446 -0.292 3.613 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.943 0.749 1.001 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.204 1.122 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -9.556 1.925 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.178 3.006 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.115 1.853 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -9.361 -0.521 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -7.916 -0.613 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -7.846 -1.193 2.198 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.045 2.979 3.435 1.00 0.00 N ATOM 1150 CA ALA A 133 -5.681 4.390 3.753 1.00 0.00 C ATOM 1151 C ALA A 133 -4.183 4.607 3.523 1.00 0.00 C ATOM 1152 O ALA A 133 -3.768 5.589 2.939 1.00 0.00 O ATOM 1153 CB ALA A 133 -6.012 4.670 5.219 1.00 0.00 C ATOM 0 H ALA A 133 -6.388 2.433 4.225 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.243 5.064 3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.749 5.700 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -7.078 4.519 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -5.445 3.991 5.856 1.00 0.00 H new ATOM 1159 N SER A 134 -3.373 3.696 3.986 1.00 0.00 N ATOM 1160 CA SER A 134 -1.898 3.835 3.804 1.00 0.00 C ATOM 1161 C SER A 134 -1.556 3.818 2.314 1.00 0.00 C ATOM 1162 O SER A 134 -0.775 4.617 1.833 1.00 0.00 O ATOM 1163 CB SER A 134 -1.203 2.666 4.495 1.00 0.00 C ATOM 1164 OG SER A 134 0.202 2.780 4.319 1.00 0.00 O ATOM 0 H SER A 134 -3.669 2.857 4.485 1.00 0.00 H new ATOM 0 HA SER A 134 -1.564 4.778 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.448 2.660 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.557 1.722 4.081 1.00 0.00 H new ATOM 0 HG SER A 134 0.603 3.159 5.129 1.00 0.00 H new ATOM 1170 N THR A 135 -2.137 2.907 1.584 1.00 0.00 N ATOM 1171 CA THR A 135 -1.859 2.822 0.123 1.00 0.00 C ATOM 1172 C THR A 135 -2.319 4.112 -0.560 1.00 0.00 C ATOM 1173 O THR A 135 -1.622 4.679 -1.380 1.00 0.00 O ATOM 1174 CB THR A 135 -2.627 1.634 -0.461 1.00 0.00 C ATOM 1175 OG1 THR A 135 -2.165 0.430 0.137 1.00 0.00 O ATOM 1176 CG2 THR A 135 -2.411 1.571 -1.972 1.00 0.00 C ATOM 0 H THR A 135 -2.796 2.214 1.939 1.00 0.00 H new ATOM 0 HA THR A 135 -0.790 2.688 -0.042 1.00 0.00 H new ATOM 0 HB THR A 135 -3.690 1.757 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 135 -2.588 0.317 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 135 -2.960 0.724 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 135 -2.771 2.493 -2.430 1.00 0.00 H new ATOM 0 HG23 THR A 135 -1.348 1.452 -2.183 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.494 4.574 -0.228 1.00 0.00 N ATOM 1185 CA ASN A 136 -4.017 5.826 -0.850 1.00 0.00 C ATOM 1186 C ASN A 136 -3.131 7.009 -0.451 1.00 0.00 C ATOM 1187 O ASN A 136 -2.819 7.867 -1.255 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.444 6.071 -0.353 1.00 0.00 C ATOM 1189 CG ASN A 136 -5.994 7.360 -0.969 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -5.293 8.056 -1.677 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -7.229 7.710 -0.727 1.00 0.00 N ATOM 0 H ASN A 136 -4.118 4.137 0.450 1.00 0.00 H new ATOM 0 HA ASN A 136 -4.014 5.724 -1.935 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -6.082 5.228 -0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.452 6.144 0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -7.605 8.567 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -7.817 7.126 -0.133 1.00 0.00 H new ATOM 1198 N MET A 137 -2.730 7.062 0.791 1.00 0.00 N ATOM 1199 CA MET A 137 -1.868 8.188 1.258 1.00 0.00 C ATOM 1200 C MET A 137 -0.509 8.130 0.555 1.00 0.00 C ATOM 1201 O MET A 137 0.028 9.136 0.132 1.00 0.00 O ATOM 1202 CB MET A 137 -1.666 8.065 2.771 1.00 0.00 C ATOM 1203 CG MET A 137 -2.940 8.495 3.506 1.00 0.00 C ATOM 1204 SD MET A 137 -3.206 10.274 3.278 1.00 0.00 S ATOM 1205 CE MET A 137 -1.828 10.860 4.300 1.00 0.00 C ATOM 0 H MET A 137 -2.963 6.372 1.505 1.00 0.00 H new ATOM 0 HA MET A 137 -2.349 9.137 1.023 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.416 7.036 3.030 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.827 8.686 3.086 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.796 7.938 3.126 1.00 0.00 H new ATOM 0 HG3 MET A 137 -2.855 8.263 4.568 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.054 11.857 4.678 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.681 10.179 5.138 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.919 10.897 3.699 1.00 0.00 H new ATOM 1215 N ILE A 138 0.048 6.958 0.427 1.00 0.00 N ATOM 1216 CA ILE A 138 1.368 6.826 -0.253 1.00 0.00 C ATOM 1217 C ILE A 138 1.221 7.216 -1.726 1.00 0.00 C ATOM 1218 O ILE A 138 2.049 7.909 -2.286 1.00 0.00 O ATOM 1219 CB ILE A 138 1.853 5.377 -0.141 1.00 0.00 C ATOM 1220 CG1 ILE A 138 2.212 5.072 1.318 1.00 0.00 C ATOM 1221 CG2 ILE A 138 3.088 5.175 -1.023 1.00 0.00 C ATOM 1222 CD1 ILE A 138 2.354 3.560 1.512 1.00 0.00 C ATOM 0 H ILE A 138 -0.354 6.084 0.765 1.00 0.00 H new ATOM 0 HA ILE A 138 2.096 7.485 0.221 1.00 0.00 H new ATOM 0 HB ILE A 138 1.061 4.705 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.144 5.571 1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 138 1.440 5.462 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 138 3.429 4.143 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.833 5.391 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.882 5.847 -0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.609 3.349 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.412 3.071 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 138 3.142 3.182 0.861 1.00 0.00 H new ATOM 1234 N PHE A 139 0.173 6.763 -2.355 1.00 0.00 N ATOM 1235 CA PHE A 139 -0.046 7.088 -3.794 1.00 0.00 C ATOM 1236 C PHE A 139 -0.208 8.602 -3.952 1.00 0.00 C ATOM 1237 O PHE A 139 0.361 9.215 -4.836 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.324 6.379 -4.277 1.00 0.00 C ATOM 1239 CG PHE A 139 -1.006 4.964 -4.718 1.00 0.00 C ATOM 1240 CD1 PHE A 139 -0.204 4.138 -3.921 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -1.512 4.484 -5.933 1.00 0.00 C ATOM 1242 CE1 PHE A 139 0.091 2.836 -4.337 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -1.215 3.183 -6.349 1.00 0.00 C ATOM 1244 CZ PHE A 139 -0.413 2.359 -5.552 1.00 0.00 C ATOM 0 H PHE A 139 -0.547 6.177 -1.932 1.00 0.00 H new ATOM 0 HA PHE A 139 0.806 6.753 -4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.063 6.360 -3.476 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -1.766 6.934 -5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 139 0.187 4.507 -2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -2.132 5.119 -6.548 1.00 0.00 H new ATOM 0 HE1 PHE A 139 0.708 2.199 -3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -1.605 2.814 -7.286 1.00 0.00 H new ATOM 0 HZ PHE A 139 -0.183 1.354 -5.875 1.00 0.00 H new ATOM 1254 N LYS A 140 -0.993 9.198 -3.102 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.220 10.667 -3.182 1.00 0.00 C ATOM 1256 C LYS A 140 0.095 11.403 -2.919 1.00 0.00 C ATOM 1257 O LYS A 140 0.367 12.439 -3.494 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.251 11.069 -2.125 1.00 0.00 C ATOM 1259 CG LYS A 140 -2.592 12.552 -2.276 1.00 0.00 C ATOM 1260 CD LYS A 140 -3.671 12.939 -1.260 1.00 0.00 C ATOM 1261 CE LYS A 140 -4.026 14.418 -1.431 1.00 0.00 C ATOM 1262 NZ LYS A 140 -5.107 14.786 -0.472 1.00 0.00 N ATOM 0 H LYS A 140 -1.492 8.726 -2.348 1.00 0.00 H new ATOM 0 HA LYS A 140 -1.586 10.930 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -3.152 10.466 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -1.857 10.876 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.699 13.158 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -2.943 12.753 -3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.558 12.322 -1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -3.314 12.754 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.145 15.036 -1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -4.352 14.608 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -5.347 15.791 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -5.949 14.205 -0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -4.779 14.619 0.501 1.00 0.00 H new ATOM 1276 N TYR A 141 0.902 10.879 -2.039 1.00 0.00 N ATOM 1277 CA TYR A 141 2.199 11.541 -1.715 1.00 0.00 C ATOM 1278 C TYR A 141 3.078 11.632 -2.967 1.00 0.00 C ATOM 1279 O TYR A 141 3.639 12.668 -3.271 1.00 0.00 O ATOM 1280 CB TYR A 141 2.928 10.718 -0.650 1.00 0.00 C ATOM 1281 CG TYR A 141 4.282 11.330 -0.383 1.00 0.00 C ATOM 1282 CD1 TYR A 141 4.392 12.451 0.445 1.00 0.00 C ATOM 1283 CD2 TYR A 141 5.428 10.778 -0.971 1.00 0.00 C ATOM 1284 CE1 TYR A 141 5.647 13.022 0.687 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.683 11.350 -0.731 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.792 12.472 0.098 1.00 0.00 C ATOM 1287 OH TYR A 141 8.028 13.038 0.335 1.00 0.00 O ATOM 0 H TYR A 141 0.719 10.016 -1.527 1.00 0.00 H new ATOM 0 HA TYR A 141 2.002 12.547 -1.346 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.342 10.690 0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 141 3.042 9.687 -0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.509 12.877 0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 141 5.343 9.911 -1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 141 5.732 13.887 1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.566 10.926 -1.185 1.00 0.00 H new ATOM 0 HH TYR A 141 8.716 12.535 -0.148 1.00 0.00 H new ATOM 1297 N ALA A 142 3.211 10.552 -3.687 1.00 0.00 N ATOM 1298 CA ALA A 142 4.060 10.568 -4.914 1.00 0.00 C ATOM 1299 C ALA A 142 3.442 11.507 -5.951 1.00 0.00 C ATOM 1300 O ALA A 142 4.131 12.229 -6.647 1.00 0.00 O ATOM 1301 CB ALA A 142 4.134 9.153 -5.490 1.00 0.00 C ATOM 0 H ALA A 142 2.768 9.657 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 142 5.062 10.917 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.753 9.157 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 142 4.571 8.482 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 142 3.131 8.810 -5.743 1.00 0.00 H new ATOM 1307 N TYR A 143 2.143 11.496 -6.055 1.00 0.00 N ATOM 1308 CA TYR A 143 1.451 12.380 -7.035 1.00 0.00 C ATOM 1309 C TYR A 143 1.719 13.848 -6.689 1.00 0.00 C ATOM 1310 O TYR A 143 2.008 14.661 -7.546 1.00 0.00 O ATOM 1311 CB TYR A 143 -0.053 12.109 -6.971 1.00 0.00 C ATOM 1312 CG TYR A 143 -0.781 13.066 -7.884 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -0.801 12.837 -9.264 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -1.436 14.183 -7.350 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -1.474 13.724 -10.111 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -2.109 15.071 -8.197 1.00 0.00 C ATOM 1317 CZ TYR A 143 -2.128 14.842 -9.578 1.00 0.00 C ATOM 1318 OH TYR A 143 -2.791 15.717 -10.413 1.00 0.00 O ATOM 0 H TYR A 143 1.525 10.907 -5.498 1.00 0.00 H new ATOM 0 HA TYR A 143 1.824 12.176 -8.039 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.260 11.080 -7.267 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -0.410 12.225 -5.948 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -0.297 11.975 -9.676 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -1.422 14.359 -6.285 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -1.489 13.547 -11.176 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -2.614 15.933 -7.785 1.00 0.00 H new ATOM 0 HH TYR A 143 -3.191 16.437 -9.882 1.00 0.00 H new ATOM 1328 N ASP A 144 1.613 14.185 -5.433 1.00 0.00 N ATOM 1329 CA ASP A 144 1.846 15.593 -4.998 1.00 0.00 C ATOM 1330 C ASP A 144 3.297 15.991 -5.284 1.00 0.00 C ATOM 1331 O ASP A 144 3.598 17.142 -5.539 1.00 0.00 O ATOM 1332 CB ASP A 144 1.567 15.704 -3.497 1.00 0.00 C ATOM 1333 CG ASP A 144 1.868 17.123 -3.016 1.00 0.00 C ATOM 1334 OD1 ASP A 144 2.063 17.986 -3.857 1.00 0.00 O ATOM 1335 OD2 ASP A 144 1.897 17.326 -1.813 1.00 0.00 O ATOM 0 H ASP A 144 1.372 13.539 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 144 1.181 16.260 -5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.526 15.454 -3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 144 2.180 14.988 -2.950 1.00 0.00 H new ATOM 1340 N THR A 145 4.198 15.048 -5.236 1.00 0.00 N ATOM 1341 CA THR A 145 5.632 15.364 -5.498 1.00 0.00 C ATOM 1342 C THR A 145 5.876 15.376 -7.012 1.00 0.00 C ATOM 1343 O THR A 145 6.994 15.512 -7.474 1.00 0.00 O ATOM 1344 CB THR A 145 6.507 14.296 -4.833 1.00 0.00 C ATOM 1345 OG1 THR A 145 6.012 13.007 -5.166 1.00 0.00 O ATOM 1346 CG2 THR A 145 6.470 14.478 -3.313 1.00 0.00 C ATOM 0 H THR A 145 4.003 14.069 -5.026 1.00 0.00 H new ATOM 0 HA THR A 145 5.883 16.342 -5.088 1.00 0.00 H new ATOM 0 HB THR A 145 7.534 14.396 -5.186 1.00 0.00 H new ATOM 0 HG1 THR A 145 5.377 13.082 -5.909 1.00 0.00 H new ATOM 0 HG21 THR A 145 7.092 13.718 -2.840 1.00 0.00 H new ATOM 0 HG22 THR A 145 6.847 15.468 -3.056 1.00 0.00 H new ATOM 0 HG23 THR A 145 5.444 14.378 -2.959 1.00 0.00 H new ATOM 1354 N ARG A 146 4.826 15.240 -7.780 1.00 0.00 N ATOM 1355 CA ARG A 146 4.955 15.244 -9.269 1.00 0.00 C ATOM 1356 C ARG A 146 5.958 14.176 -9.714 1.00 0.00 C ATOM 1357 O ARG A 146 6.727 14.369 -10.636 1.00 0.00 O ATOM 1358 CB ARG A 146 5.413 16.628 -9.747 1.00 0.00 C ATOM 1359 CG ARG A 146 4.284 17.641 -9.536 1.00 0.00 C ATOM 1360 CD ARG A 146 4.755 19.032 -9.973 1.00 0.00 C ATOM 1361 NE ARG A 146 3.656 20.020 -9.768 1.00 0.00 N ATOM 1362 CZ ARG A 146 3.708 21.195 -10.340 1.00 0.00 C ATOM 1363 NH1 ARG A 146 4.723 21.518 -11.095 1.00 0.00 N ATOM 1364 NH2 ARG A 146 2.741 22.052 -10.152 1.00 0.00 N ATOM 0 H ARG A 146 3.873 15.125 -7.435 1.00 0.00 H new ATOM 0 HA ARG A 146 3.984 15.018 -9.710 1.00 0.00 H new ATOM 0 HB2 ARG A 146 6.302 16.938 -9.198 1.00 0.00 H new ATOM 0 HB3 ARG A 146 5.688 16.588 -10.801 1.00 0.00 H new ATOM 0 HG2 ARG A 146 3.405 17.346 -10.110 1.00 0.00 H new ATOM 0 HG3 ARG A 146 3.989 17.659 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 146 5.634 19.326 -9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 146 5.050 19.014 -11.022 1.00 0.00 H new ATOM 0 HE ARG A 146 2.860 19.778 -9.178 1.00 0.00 H new ATOM 0 HH11 ARG A 146 5.482 20.852 -11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 146 4.757 22.436 -11.538 1.00 0.00 H new ATOM 0 HH21 ARG A 146 1.948 21.804 -9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 146 2.779 22.969 -10.597 1.00 0.00 H new ATOM 1378 N LEU A 147 5.935 13.039 -9.069 1.00 0.00 N ATOM 1379 CA LEU A 147 6.856 11.925 -9.446 1.00 0.00 C ATOM 1380 C LEU A 147 6.105 10.963 -10.360 1.00 0.00 C ATOM 1381 O LEU A 147 6.694 10.184 -11.087 1.00 0.00 O ATOM 1382 CB LEU A 147 7.295 11.183 -8.183 1.00 0.00 C ATOM 1383 CG LEU A 147 8.049 12.143 -7.257 1.00 0.00 C ATOM 1384 CD1 LEU A 147 8.385 11.425 -5.945 1.00 0.00 C ATOM 1385 CD2 LEU A 147 9.347 12.621 -7.935 1.00 0.00 C ATOM 0 H LEU A 147 5.311 12.832 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 147 7.734 12.320 -9.957 1.00 0.00 H new ATOM 0 HB2 LEU A 147 6.425 10.774 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 147 7.934 10.341 -8.448 1.00 0.00 H new ATOM 0 HG LEU A 147 7.420 13.009 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.922 12.106 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.464 11.101 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 147 9.009 10.556 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 147 9.876 13.303 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 147 9.981 11.762 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 147 9.104 13.137 -8.864 1.00 0.00 H new ATOM 1397 N ILE A 148 4.797 11.014 -10.320 1.00 0.00 N ATOM 1398 CA ILE A 148 3.967 10.113 -11.173 1.00 0.00 C ATOM 1399 C ILE A 148 2.889 10.930 -11.876 1.00 0.00 C ATOM 1400 O ILE A 148 2.516 11.999 -11.427 1.00 0.00 O ATOM 1401 CB ILE A 148 3.316 9.041 -10.292 1.00 0.00 C ATOM 1402 CG1 ILE A 148 2.485 9.707 -9.183 1.00 0.00 C ATOM 1403 CG2 ILE A 148 4.410 8.174 -9.669 1.00 0.00 C ATOM 1404 CD1 ILE A 148 1.696 8.639 -8.422 1.00 0.00 C ATOM 0 H ILE A 148 4.264 11.649 -9.726 1.00 0.00 H new ATOM 0 HA ILE A 148 4.596 9.632 -11.922 1.00 0.00 H new ATOM 0 HB ILE A 148 2.658 8.421 -10.900 1.00 0.00 H new ATOM 0 HG12 ILE A 148 3.139 10.247 -8.499 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.803 10.439 -9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 148 3.954 7.409 -9.041 1.00 0.00 H new ATOM 0 HG22 ILE A 148 4.990 7.697 -10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 148 5.067 8.797 -9.063 1.00 0.00 H new ATOM 0 HD11 ILE A 148 1.107 9.112 -7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 148 1.030 8.119 -9.111 1.00 0.00 H new ATOM 0 HD13 ILE A 148 2.388 7.924 -7.976 1.00 0.00 H new ATOM 1416 N LYS A 149 2.382 10.433 -12.976 1.00 0.00 N ATOM 1417 CA LYS A 149 1.318 11.165 -13.726 1.00 0.00 C ATOM 1418 C LYS A 149 0.046 10.315 -13.746 1.00 0.00 C ATOM 1419 O LYS A 149 -0.391 9.845 -14.779 1.00 0.00 O ATOM 1420 CB LYS A 149 1.804 11.427 -15.154 1.00 0.00 C ATOM 1421 CG LYS A 149 0.828 12.369 -15.858 1.00 0.00 C ATOM 1422 CD LYS A 149 1.374 12.733 -17.241 1.00 0.00 C ATOM 1423 CE LYS A 149 0.404 13.692 -17.936 1.00 0.00 C ATOM 1424 NZ LYS A 149 0.958 14.084 -19.263 1.00 0.00 N ATOM 0 H LYS A 149 2.663 9.544 -13.389 1.00 0.00 H new ATOM 0 HA LYS A 149 1.102 12.118 -13.243 1.00 0.00 H new ATOM 0 HB2 LYS A 149 2.801 11.866 -15.136 1.00 0.00 H new ATOM 0 HB3 LYS A 149 1.880 10.488 -15.702 1.00 0.00 H new ATOM 0 HG2 LYS A 149 -0.148 11.892 -15.955 1.00 0.00 H new ATOM 0 HG3 LYS A 149 0.684 13.271 -15.263 1.00 0.00 H new ATOM 0 HD2 LYS A 149 2.356 13.197 -17.146 1.00 0.00 H new ATOM 0 HD3 LYS A 149 1.504 11.832 -17.841 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -0.568 13.215 -18.062 1.00 0.00 H new ATOM 0 HE3 LYS A 149 0.247 14.577 -17.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 0.299 14.736 -19.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 1.876 14.555 -19.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 1.086 13.235 -19.850 1.00 0.00 H new ATOM 1438 N ALA A 150 -0.555 10.120 -12.597 1.00 0.00 N ATOM 1439 CA ALA A 150 -1.805 9.309 -12.530 1.00 0.00 C ATOM 1440 C ALA A 150 -2.426 9.415 -11.134 1.00 0.00 C ATOM 1441 O ALA A 150 -1.761 9.718 -10.160 1.00 0.00 O ATOM 1442 CB ALA A 150 -1.496 7.839 -12.829 1.00 0.00 C ATOM 0 H ALA A 150 -0.231 10.489 -11.703 1.00 0.00 H new ATOM 0 HA ALA A 150 -2.506 9.692 -13.272 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -2.416 7.256 -12.777 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -1.067 7.753 -13.828 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -0.785 7.460 -12.095 1.00 0.00 H new ATOM 1448 N MET A 151 -3.704 9.152 -11.035 1.00 0.00 N ATOM 1449 CA MET A 151 -4.398 9.215 -9.714 1.00 0.00 C ATOM 1450 C MET A 151 -5.563 8.215 -9.713 1.00 0.00 C ATOM 1451 O MET A 151 -6.715 8.593 -9.626 1.00 0.00 O ATOM 1452 CB MET A 151 -4.936 10.632 -9.481 1.00 0.00 C ATOM 1453 CG MET A 151 -5.410 10.767 -8.033 1.00 0.00 C ATOM 1454 SD MET A 151 -6.437 12.248 -7.864 1.00 0.00 S ATOM 1455 CE MET A 151 -5.090 13.441 -7.667 1.00 0.00 C ATOM 0 H MET A 151 -4.301 8.894 -11.820 1.00 0.00 H new ATOM 0 HA MET A 151 -3.697 8.964 -8.918 1.00 0.00 H new ATOM 0 HB2 MET A 151 -4.158 11.367 -9.690 1.00 0.00 H new ATOM 0 HB3 MET A 151 -5.760 10.837 -10.165 1.00 0.00 H new ATOM 0 HG2 MET A 151 -5.978 9.883 -7.742 1.00 0.00 H new ATOM 0 HG3 MET A 151 -4.552 10.829 -7.363 1.00 0.00 H new ATOM 0 HE1 MET A 151 -5.503 14.419 -7.421 1.00 0.00 H new ATOM 0 HE2 MET A 151 -4.429 13.114 -6.864 1.00 0.00 H new ATOM 0 HE3 MET A 151 -4.525 13.509 -8.597 1.00 0.00 H new ATOM 1465 N PRO A 152 -5.257 6.943 -9.817 1.00 0.00 N ATOM 1466 CA PRO A 152 -6.285 5.860 -9.834 1.00 0.00 C ATOM 1467 C PRO A 152 -6.852 5.558 -8.438 1.00 0.00 C ATOM 1468 O PRO A 152 -6.149 5.122 -7.546 1.00 0.00 O ATOM 1469 CB PRO A 152 -5.524 4.648 -10.390 1.00 0.00 C ATOM 1470 CG PRO A 152 -4.090 4.880 -10.018 1.00 0.00 C ATOM 1471 CD PRO A 152 -3.892 6.403 -9.938 1.00 0.00 C ATOM 0 HA PRO A 152 -7.155 6.138 -10.429 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -5.897 3.718 -9.961 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -5.643 4.570 -11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -3.858 4.409 -9.063 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -3.422 4.442 -10.760 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -3.278 6.680 -9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -3.390 6.786 -10.827 1.00 0.00 H new