USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1101 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 127 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 131 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0199) USER MOD Set 2.1: A 98 LYS NZ :NH3+ 147:sc= -0.0114 (180deg=0) USER MOD Set 2.2: A 102 LYS NZ :NH3+ -128:sc= 0.657 (180deg=0.232) USER MOD Set 3.1: A 31 TYR OH : rot 95:sc= 0.0251 USER MOD Set 3.2: A 90 GLN : amide:sc= -0.358 K(o=-0.33,f=-2.1) USER MOD Single : A 3 THR OG1 : rot -144:sc= 0.0997 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -115:sc= -0.232 (180deg=-1.22!) USER MOD Single : A 10 CYS SG : rot -69:sc= 0.801 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.5) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 160:sc= -0.511 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.182 USER MOD Single : A 35 THR OG1 : rot 160:sc= -0.0419 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.796 F(o=-2.1!,f=-0.8) USER MOD Single : A 45 TYR OH : rot 161:sc= 0.737 USER MOD Single : A 46 GLN : amide:sc= -0.3 K(o=-0.3,f=-3.4!) USER MOD Single : A 47 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.35) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.21) USER MOD Single : A 52 CYS SG : rot 138:sc= 0.368 USER MOD Single : A 53 THR OG1 : rot 135:sc= 0.416 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 52:sc= 0.163 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 6:sc= 0.484 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 100:sc=-0.00104 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 85 ASN : amide:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 42:sc= 0.433 USER MOD Single : A 96 THR OG1 : rot 38:sc= 1.08 USER MOD Single : A 99 THR OG1 : rot 71:sc= 0.163 USER MOD Single : A 106 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.12) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0242) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 ASN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -2.043 -20.764 -10.792 1.00 0.00 N ATOM 2 CA ALA A 2 -2.925 -19.659 -11.255 1.00 0.00 C ATOM 3 C ALA A 2 -3.568 -18.933 -10.077 1.00 0.00 C ATOM 4 O ALA A 2 -3.896 -19.548 -9.060 1.00 0.00 O ATOM 5 CB ALA A 2 -4.001 -20.194 -12.190 1.00 0.00 C ATOM 0 HA ALA A 2 -2.306 -18.944 -11.797 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.638 -19.373 -12.520 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.531 -20.659 -13.057 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.605 -20.933 -11.664 1.00 0.00 H new ATOM 13 N THR A 3 -3.747 -17.624 -10.228 1.00 0.00 N ATOM 14 CA THR A 3 -4.354 -16.804 -9.184 1.00 0.00 C ATOM 15 C THR A 3 -5.368 -15.831 -9.783 1.00 0.00 C ATOM 16 O THR A 3 -5.168 -15.306 -10.880 1.00 0.00 O ATOM 17 CB THR A 3 -3.276 -16.036 -8.411 1.00 0.00 C ATOM 18 OG1 THR A 3 -3.864 -15.124 -7.497 1.00 0.00 O ATOM 19 CG2 THR A 3 -2.339 -15.250 -9.305 1.00 0.00 C ATOM 0 H THR A 3 -3.480 -17.107 -11.066 1.00 0.00 H new ATOM 0 HA THR A 3 -4.876 -17.465 -8.492 1.00 0.00 H new ATOM 0 HB THR A 3 -2.699 -16.800 -7.890 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.317 -14.313 -7.447 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.602 -14.731 -8.693 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.830 -15.931 -9.987 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.911 -14.521 -9.880 1.00 0.00 H new ATOM 27 N LYS A 4 -6.452 -15.598 -9.049 1.00 0.00 N ATOM 28 CA LYS A 4 -7.504 -14.687 -9.490 1.00 0.00 C ATOM 29 C LYS A 4 -7.665 -13.536 -8.502 1.00 0.00 C ATOM 30 O LYS A 4 -6.948 -13.464 -7.502 1.00 0.00 O ATOM 31 CB LYS A 4 -8.832 -15.437 -9.642 1.00 0.00 C ATOM 32 CG LYS A 4 -8.866 -16.382 -10.831 1.00 0.00 C ATOM 33 CD LYS A 4 -8.055 -17.641 -10.567 1.00 0.00 C ATOM 34 CE LYS A 4 -8.618 -18.837 -11.318 1.00 0.00 C ATOM 35 NZ LYS A 4 -7.905 -19.077 -12.605 1.00 0.00 N ATOM 0 H LYS A 4 -6.626 -16.030 -8.141 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.218 -14.278 -10.459 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.025 -16.005 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.640 -14.712 -9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.898 -16.653 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.474 -15.874 -11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.020 -17.477 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.048 -17.852 -9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.543 -19.726 -10.691 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.677 -18.674 -11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.321 -19.901 -13.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.997 -18.239 -13.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.899 -19.258 -12.416 1.00 0.00 H new ATOM 49 N ILE A 5 -8.601 -12.638 -8.785 1.00 0.00 N ATOM 50 CA ILE A 5 -8.847 -11.493 -7.916 1.00 0.00 C ATOM 51 C ILE A 5 -10.335 -11.348 -7.603 1.00 0.00 C ATOM 52 O ILE A 5 -11.177 -11.421 -8.499 1.00 0.00 O ATOM 53 CB ILE A 5 -8.317 -10.184 -8.544 1.00 0.00 C ATOM 54 CG1 ILE A 5 -8.474 -9.017 -7.565 1.00 0.00 C ATOM 55 CG2 ILE A 5 -9.030 -9.886 -9.857 1.00 0.00 C ATOM 56 CD1 ILE A 5 -7.300 -8.061 -7.573 1.00 0.00 C ATOM 0 H ILE A 5 -9.202 -12.680 -9.608 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.308 -11.676 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.256 -10.313 -8.758 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.382 -8.467 -7.810 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.603 -9.413 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.641 -8.960 -10.281 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.861 -10.704 -10.557 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.099 -9.780 -9.674 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.479 -7.259 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.392 -8.598 -7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.183 -7.637 -8.570 1.00 0.00 H new ATOM 68 N ASP A 6 -10.649 -11.141 -6.325 1.00 0.00 N ATOM 69 CA ASP A 6 -12.033 -10.979 -5.892 1.00 0.00 C ATOM 70 C ASP A 6 -12.488 -9.540 -6.098 1.00 0.00 C ATOM 71 O ASP A 6 -12.236 -8.673 -5.258 1.00 0.00 O ATOM 72 CB ASP A 6 -12.192 -11.371 -4.420 1.00 0.00 C ATOM 73 CG ASP A 6 -12.042 -12.862 -4.190 1.00 0.00 C ATOM 74 OD1 ASP A 6 -12.622 -13.649 -4.968 1.00 0.00 O ATOM 75 OD2 ASP A 6 -11.341 -13.243 -3.230 1.00 0.00 O ATOM 0 H ASP A 6 -9.963 -11.082 -5.573 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.656 -11.638 -6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.449 -10.840 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.172 -11.050 -4.067 1.00 0.00 H new ATOM 80 N LYS A 7 -13.152 -9.292 -7.222 1.00 0.00 N ATOM 81 CA LYS A 7 -13.641 -7.961 -7.553 1.00 0.00 C ATOM 82 C LYS A 7 -14.616 -7.451 -6.495 1.00 0.00 C ATOM 83 O LYS A 7 -14.554 -6.288 -6.095 1.00 0.00 O ATOM 84 CB LYS A 7 -14.321 -7.982 -8.921 1.00 0.00 C ATOM 85 CG LYS A 7 -13.386 -8.358 -10.063 1.00 0.00 C ATOM 86 CD LYS A 7 -14.140 -8.535 -11.371 1.00 0.00 C ATOM 87 CE LYS A 7 -15.187 -9.635 -11.272 1.00 0.00 C ATOM 88 NZ LYS A 7 -16.537 -9.098 -10.936 1.00 0.00 N ATOM 0 H LYS A 7 -13.364 -10.002 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.788 -7.284 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.150 -8.689 -8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.747 -6.999 -9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.627 -7.585 -10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.863 -9.282 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.623 -7.596 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.436 -8.774 -12.168 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.237 -10.173 -12.219 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.885 -10.355 -10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.828 -9.449 -10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.503 -8.059 -10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -17.223 -9.411 -11.652 1.00 0.00 H new ATOM 102 N GLU A 8 -15.514 -8.329 -6.049 1.00 0.00 N ATOM 103 CA GLU A 8 -16.507 -7.978 -5.039 1.00 0.00 C ATOM 104 C GLU A 8 -15.843 -7.460 -3.763 1.00 0.00 C ATOM 105 O GLU A 8 -16.214 -6.405 -3.248 1.00 0.00 O ATOM 106 CB GLU A 8 -17.383 -9.192 -4.727 1.00 0.00 C ATOM 107 CG GLU A 8 -18.476 -9.433 -5.759 1.00 0.00 C ATOM 108 CD GLU A 8 -17.985 -10.215 -6.966 1.00 0.00 C ATOM 109 OE1 GLU A 8 -17.446 -9.587 -7.905 1.00 0.00 O ATOM 110 OE2 GLU A 8 -18.138 -11.454 -6.973 1.00 0.00 O ATOM 0 H GLU A 8 -15.572 -9.294 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.131 -7.178 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.752 -10.079 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.842 -9.057 -3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -19.298 -9.975 -5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.874 -8.474 -6.091 1.00 0.00 H new ATOM 117 N ALA A 9 -14.858 -8.206 -3.260 1.00 0.00 N ATOM 118 CA ALA A 9 -14.145 -7.817 -2.046 1.00 0.00 C ATOM 119 C ALA A 9 -13.257 -6.598 -2.292 1.00 0.00 C ATOM 120 O ALA A 9 -13.319 -5.618 -1.549 1.00 0.00 O ATOM 121 CB ALA A 9 -13.315 -8.979 -1.521 1.00 0.00 C ATOM 0 H ALA A 9 -14.538 -9.081 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.887 -7.547 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.790 -8.672 -0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.970 -9.820 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.589 -9.279 -2.277 1.00 0.00 H new ATOM 127 N CYS A 10 -12.435 -6.668 -3.340 1.00 0.00 N ATOM 128 CA CYS A 10 -11.534 -5.576 -3.692 1.00 0.00 C ATOM 129 C CYS A 10 -12.298 -4.266 -3.880 1.00 0.00 C ATOM 130 O CYS A 10 -11.862 -3.211 -3.414 1.00 0.00 O ATOM 131 CB CYS A 10 -10.769 -5.925 -4.968 1.00 0.00 C ATOM 132 SG CYS A 10 -9.410 -7.091 -4.716 1.00 0.00 S ATOM 0 H CYS A 10 -12.377 -7.475 -3.961 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.829 -5.439 -2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.465 -6.346 -5.693 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.371 -5.008 -5.403 1.00 0.00 H new ATOM 0 HG CYS A 10 -8.465 -6.515 -4.034 1.00 0.00 H new ATOM 138 N ARG A 11 -13.444 -4.343 -4.557 1.00 0.00 N ATOM 139 CA ARG A 11 -14.275 -3.165 -4.800 1.00 0.00 C ATOM 140 C ARG A 11 -14.841 -2.630 -3.488 1.00 0.00 C ATOM 141 O ARG A 11 -14.776 -1.429 -3.224 1.00 0.00 O ATOM 142 CB ARG A 11 -15.414 -3.494 -5.772 1.00 0.00 C ATOM 143 CG ARG A 11 -16.171 -2.270 -6.267 1.00 0.00 C ATOM 144 CD ARG A 11 -17.201 -2.638 -7.327 1.00 0.00 C ATOM 145 NE ARG A 11 -18.498 -2.983 -6.741 1.00 0.00 N ATOM 146 CZ ARG A 11 -19.400 -2.087 -6.330 1.00 0.00 C ATOM 147 NH1 ARG A 11 -19.160 -0.785 -6.442 1.00 0.00 N ATOM 148 NH2 ARG A 11 -20.548 -2.499 -5.806 1.00 0.00 N ATOM 0 H ARG A 11 -13.817 -5.209 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.648 -2.395 -5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.005 -4.028 -6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.115 -4.169 -5.281 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -16.669 -1.786 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.466 -1.548 -6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.326 -1.802 -8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -16.833 -3.481 -7.912 1.00 0.00 H new ATOM 0 HE ARG A 11 -18.728 -3.972 -6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.281 -0.461 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.855 -0.109 -6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.739 -3.497 -5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.239 -1.818 -5.491 1.00 0.00 H new ATOM 162 N ALA A 12 -15.385 -3.530 -2.666 1.00 0.00 N ATOM 163 CA ALA A 12 -15.950 -3.148 -1.375 1.00 0.00 C ATOM 164 C ALA A 12 -14.930 -2.377 -0.541 1.00 0.00 C ATOM 165 O ALA A 12 -15.255 -1.357 0.063 1.00 0.00 O ATOM 166 CB ALA A 12 -16.433 -4.381 -0.621 1.00 0.00 C ATOM 0 H ALA A 12 -15.445 -4.527 -2.873 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.803 -2.494 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.851 -4.080 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -17.199 -4.889 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -15.595 -5.058 -0.455 1.00 0.00 H new ATOM 172 N ALA A 13 -13.692 -2.872 -0.523 1.00 0.00 N ATOM 173 CA ALA A 13 -12.618 -2.230 0.229 1.00 0.00 C ATOM 174 C ALA A 13 -12.267 -0.866 -0.362 1.00 0.00 C ATOM 175 O ALA A 13 -11.968 0.075 0.375 1.00 0.00 O ATOM 176 CB ALA A 13 -11.389 -3.125 0.261 1.00 0.00 C ATOM 0 H ALA A 13 -13.410 -3.716 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.968 -2.073 1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.596 -2.634 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.641 -4.072 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.048 -3.311 -0.757 1.00 0.00 H new ATOM 182 N TYR A 14 -12.302 -0.765 -1.695 1.00 0.00 N ATOM 183 CA TYR A 14 -11.985 0.489 -2.380 1.00 0.00 C ATOM 184 C TYR A 14 -12.856 1.633 -1.866 1.00 0.00 C ATOM 185 O TYR A 14 -12.342 2.626 -1.351 1.00 0.00 O ATOM 186 CB TYR A 14 -12.162 0.343 -3.894 1.00 0.00 C ATOM 187 CG TYR A 14 -11.451 1.418 -4.692 1.00 0.00 C ATOM 188 CD1 TYR A 14 -11.907 2.731 -4.684 1.00 0.00 C ATOM 189 CD2 TYR A 14 -10.323 1.121 -5.448 1.00 0.00 C ATOM 190 CE1 TYR A 14 -11.262 3.716 -5.405 1.00 0.00 C ATOM 191 CE2 TYR A 14 -9.672 2.102 -6.172 1.00 0.00 C ATOM 192 CZ TYR A 14 -10.146 3.397 -6.147 1.00 0.00 C ATOM 193 OH TYR A 14 -9.501 4.375 -6.868 1.00 0.00 O ATOM 0 H TYR A 14 -12.546 -1.535 -2.318 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.942 0.723 -2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.790 -0.634 -4.203 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.225 0.369 -4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.781 2.985 -4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.949 0.108 -5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.630 4.731 -5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.796 1.856 -6.754 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.733 3.985 -7.334 1.00 0.00 H new ATOM 203 N ASN A 15 -14.175 1.492 -2.010 1.00 0.00 N ATOM 204 CA ASN A 15 -15.106 2.521 -1.561 1.00 0.00 C ATOM 205 C ASN A 15 -15.050 2.705 -0.044 1.00 0.00 C ATOM 206 O ASN A 15 -15.292 3.803 0.460 1.00 0.00 O ATOM 207 CB ASN A 15 -16.534 2.194 -2.009 1.00 0.00 C ATOM 208 CG ASN A 15 -16.972 0.786 -1.655 1.00 0.00 C ATOM 209 OD1 ASN A 15 -17.168 0.459 -0.484 1.00 0.00 O ATOM 210 ND2 ASN A 15 -17.133 -0.056 -2.671 1.00 0.00 N ATOM 0 H ASN A 15 -14.619 0.677 -2.433 1.00 0.00 H new ATOM 0 HA ASN A 15 -14.803 3.461 -2.022 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.222 2.906 -1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.607 2.328 -3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -17.430 -1.016 -2.496 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.959 0.258 -3.626 1.00 0.00 H new ATOM 217 N LEU A 16 -14.719 1.633 0.680 1.00 0.00 N ATOM 218 CA LEU A 16 -14.619 1.690 2.137 1.00 0.00 C ATOM 219 C LEU A 16 -13.520 2.663 2.563 1.00 0.00 C ATOM 220 O LEU A 16 -13.715 3.475 3.468 1.00 0.00 O ATOM 221 CB LEU A 16 -14.337 0.298 2.707 1.00 0.00 C ATOM 222 CG LEU A 16 -14.709 0.109 4.180 1.00 0.00 C ATOM 223 CD1 LEU A 16 -15.146 -1.323 4.444 1.00 0.00 C ATOM 224 CD2 LEU A 16 -13.541 0.481 5.077 1.00 0.00 C ATOM 0 H LEU A 16 -14.516 0.717 0.280 1.00 0.00 H new ATOM 0 HA LEU A 16 -15.571 2.046 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.882 -0.437 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.276 0.082 2.586 1.00 0.00 H new ATOM 0 HG LEU A 16 -15.545 0.771 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.406 -1.436 5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.014 -1.558 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.331 -2.004 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.824 0.340 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.687 -0.154 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.273 1.524 4.911 1.00 0.00 H new ATOM 236 N VAL A 17 -12.368 2.580 1.893 1.00 0.00 N ATOM 237 CA VAL A 17 -11.239 3.461 2.185 1.00 0.00 C ATOM 238 C VAL A 17 -11.562 4.898 1.784 1.00 0.00 C ATOM 239 O VAL A 17 -11.139 5.849 2.447 1.00 0.00 O ATOM 240 CB VAL A 17 -9.961 2.995 1.454 1.00 0.00 C ATOM 241 CG1 VAL A 17 -8.777 3.885 1.807 1.00 0.00 C ATOM 242 CG2 VAL A 17 -9.657 1.542 1.788 1.00 0.00 C ATOM 0 H VAL A 17 -12.194 1.910 1.144 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.059 3.419 3.259 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.135 3.075 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.889 3.536 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.993 4.912 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.599 3.845 2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.753 1.230 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.508 1.439 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.492 0.915 1.476 1.00 0.00 H new ATOM 252 N ARG A 18 -12.327 5.046 0.699 1.00 0.00 N ATOM 253 CA ARG A 18 -12.730 6.360 0.205 1.00 0.00 C ATOM 254 C ARG A 18 -13.540 7.110 1.262 1.00 0.00 C ATOM 255 O ARG A 18 -13.423 8.329 1.396 1.00 0.00 O ATOM 256 CB ARG A 18 -13.551 6.216 -1.079 1.00 0.00 C ATOM 257 CG ARG A 18 -12.808 5.503 -2.200 1.00 0.00 C ATOM 258 CD ARG A 18 -12.274 6.482 -3.232 1.00 0.00 C ATOM 259 NE ARG A 18 -13.168 6.610 -4.381 1.00 0.00 N ATOM 260 CZ ARG A 18 -12.884 7.330 -5.468 1.00 0.00 C ATOM 261 NH1 ARG A 18 -11.733 7.991 -5.556 1.00 0.00 N ATOM 262 NH2 ARG A 18 -13.754 7.386 -6.468 1.00 0.00 N ATOM 0 H ARG A 18 -12.680 4.266 0.145 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.829 6.933 -0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.467 5.669 -0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.848 7.207 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.981 4.929 -1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.477 4.792 -2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.138 7.459 -2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.293 6.151 -3.572 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.062 6.120 -4.350 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.061 7.949 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.522 8.539 -6.390 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.637 6.880 -6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.540 7.936 -7.300 1.00 0.00 H new ATOM 276 N ASP A 19 -14.354 6.369 2.017 1.00 0.00 N ATOM 277 CA ASP A 19 -15.171 6.956 3.070 1.00 0.00 C ATOM 278 C ASP A 19 -14.309 7.310 4.277 1.00 0.00 C ATOM 279 O ASP A 19 -13.617 6.453 4.829 1.00 0.00 O ATOM 280 CB ASP A 19 -16.285 5.994 3.488 1.00 0.00 C ATOM 281 CG ASP A 19 -17.480 6.715 4.079 1.00 0.00 C ATOM 282 OD1 ASP A 19 -17.332 7.329 5.158 1.00 0.00 O ATOM 283 OD2 ASP A 19 -18.565 6.668 3.461 1.00 0.00 O ATOM 0 H ASP A 19 -14.462 5.360 1.915 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.625 7.867 2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.605 5.415 2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.894 5.285 4.218 1.00 0.00 H new ATOM 288 N ASP A 20 -14.349 8.578 4.679 1.00 0.00 N ATOM 289 CA ASP A 20 -13.566 9.046 5.819 1.00 0.00 C ATOM 290 C ASP A 20 -14.414 9.100 7.092 1.00 0.00 C ATOM 291 O ASP A 20 -14.321 10.051 7.873 1.00 0.00 O ATOM 292 CB ASP A 20 -12.969 10.425 5.513 1.00 0.00 C ATOM 293 CG ASP A 20 -11.529 10.550 5.974 1.00 0.00 C ATOM 294 OD1 ASP A 20 -10.624 10.157 5.207 1.00 0.00 O ATOM 295 OD2 ASP A 20 -11.305 11.043 7.099 1.00 0.00 O ATOM 0 H ASP A 20 -14.915 9.299 4.232 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.756 8.337 5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.021 10.610 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.571 11.194 5.998 1.00 0.00 H new ATOM 300 N GLY A 21 -15.240 8.073 7.296 1.00 0.00 N ATOM 301 CA GLY A 21 -16.090 8.023 8.474 1.00 0.00 C ATOM 302 C GLY A 21 -16.138 6.646 9.119 1.00 0.00 C ATOM 303 O GLY A 21 -17.104 6.321 9.811 1.00 0.00 O ATOM 0 H GLY A 21 -15.334 7.276 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.730 8.747 9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.101 8.324 8.198 1.00 0.00 H new ATOM 307 N SER A 22 -15.099 5.833 8.896 1.00 0.00 N ATOM 308 CA SER A 22 -15.044 4.489 9.470 1.00 0.00 C ATOM 309 C SER A 22 -13.653 4.162 10.014 1.00 0.00 C ATOM 310 O SER A 22 -13.260 2.994 10.072 1.00 0.00 O ATOM 311 CB SER A 22 -15.457 3.451 8.421 1.00 0.00 C ATOM 312 OG SER A 22 -16.718 2.884 8.732 1.00 0.00 O ATOM 0 H SER A 22 -14.291 6.083 8.326 1.00 0.00 H new ATOM 0 HA SER A 22 -15.743 4.457 10.306 1.00 0.00 H new ATOM 0 HB2 SER A 22 -15.498 3.920 7.438 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.704 2.664 8.368 1.00 0.00 H new ATOM 0 HG SER A 22 -16.959 2.226 8.047 1.00 0.00 H new ATOM 318 N ALA A 23 -12.910 5.198 10.418 1.00 0.00 N ATOM 319 CA ALA A 23 -11.563 5.024 10.961 1.00 0.00 C ATOM 320 C ALA A 23 -10.716 4.106 10.076 1.00 0.00 C ATOM 321 O ALA A 23 -9.891 3.339 10.574 1.00 0.00 O ATOM 322 CB ALA A 23 -11.629 4.491 12.389 1.00 0.00 C ATOM 0 H ALA A 23 -13.222 6.168 10.378 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.080 6.001 10.977 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.618 4.367 12.778 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.175 5.196 13.016 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.140 3.528 12.395 1.00 0.00 H new ATOM 328 N VAL A 24 -10.931 4.189 8.763 1.00 0.00 N ATOM 329 CA VAL A 24 -10.194 3.366 7.809 1.00 0.00 C ATOM 330 C VAL A 24 -9.370 4.226 6.843 1.00 0.00 C ATOM 331 O VAL A 24 -9.923 5.019 6.077 1.00 0.00 O ATOM 332 CB VAL A 24 -11.150 2.454 7.005 1.00 0.00 C ATOM 333 CG1 VAL A 24 -12.093 3.273 6.134 1.00 0.00 C ATOM 334 CG2 VAL A 24 -10.362 1.462 6.163 1.00 0.00 C ATOM 0 H VAL A 24 -11.611 4.819 8.337 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.512 2.743 8.387 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.757 1.895 7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.752 2.603 5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.691 3.932 6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.512 3.871 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.052 0.829 5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.722 2.004 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.746 0.841 6.814 1.00 0.00 H new ATOM 344 N ILE A 25 -8.046 4.062 6.881 1.00 0.00 N ATOM 345 CA ILE A 25 -7.156 4.824 6.001 1.00 0.00 C ATOM 346 C ILE A 25 -6.303 3.910 5.117 1.00 0.00 C ATOM 347 O ILE A 25 -5.959 4.277 3.991 1.00 0.00 O ATOM 348 CB ILE A 25 -6.227 5.777 6.790 1.00 0.00 C ATOM 349 CG1 ILE A 25 -5.319 4.998 7.749 1.00 0.00 C ATOM 350 CG2 ILE A 25 -7.043 6.814 7.549 1.00 0.00 C ATOM 351 CD1 ILE A 25 -3.844 5.225 7.497 1.00 0.00 C ATOM 0 H ILE A 25 -7.569 3.413 7.507 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.811 5.421 5.366 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.591 6.295 6.072 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.553 5.286 8.774 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.536 3.934 7.659 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.372 7.475 8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.633 7.400 6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.709 6.311 8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.259 4.644 8.211 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.595 4.911 6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.613 6.284 7.615 1.00 0.00 H new ATOM 363 N TRP A 26 -5.959 2.724 5.626 1.00 0.00 N ATOM 364 CA TRP A 26 -5.147 1.773 4.870 1.00 0.00 C ATOM 365 C TRP A 26 -5.767 0.378 4.883 1.00 0.00 C ATOM 366 O TRP A 26 -6.555 0.043 5.769 1.00 0.00 O ATOM 367 CB TRP A 26 -3.718 1.719 5.429 1.00 0.00 C ATOM 368 CG TRP A 26 -3.624 1.159 6.820 1.00 0.00 C ATOM 369 CD1 TRP A 26 -3.427 1.866 7.969 1.00 0.00 C ATOM 370 CD2 TRP A 26 -3.714 -0.221 7.209 1.00 0.00 C ATOM 371 NE1 TRP A 26 -3.391 1.018 9.046 1.00 0.00 N ATOM 372 CE2 TRP A 26 -3.566 -0.266 8.608 1.00 0.00 C ATOM 373 CE3 TRP A 26 -3.907 -1.423 6.516 1.00 0.00 C ATOM 374 CZ2 TRP A 26 -3.606 -1.459 9.323 1.00 0.00 C ATOM 375 CZ3 TRP A 26 -3.947 -2.606 7.230 1.00 0.00 C ATOM 376 CH2 TRP A 26 -3.797 -2.615 8.619 1.00 0.00 C ATOM 0 H TRP A 26 -6.230 2.402 6.555 1.00 0.00 H new ATOM 0 HA TRP A 26 -5.111 2.119 3.837 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.102 1.115 4.763 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -3.300 2.725 5.425 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -3.315 2.939 8.023 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -3.256 1.299 10.017 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -4.023 -1.425 5.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -3.490 -1.471 10.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -4.097 -3.538 6.706 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.833 -3.556 9.148 1.00 0.00 H new ATOM 387 N VAL A 27 -5.386 -0.434 3.899 1.00 0.00 N ATOM 388 CA VAL A 27 -5.880 -1.801 3.787 1.00 0.00 C ATOM 389 C VAL A 27 -4.782 -2.717 3.251 1.00 0.00 C ATOM 390 O VAL A 27 -3.962 -2.290 2.434 1.00 0.00 O ATOM 391 CB VAL A 27 -7.118 -1.890 2.871 1.00 0.00 C ATOM 392 CG1 VAL A 27 -8.325 -1.257 3.544 1.00 0.00 C ATOM 393 CG2 VAL A 27 -6.842 -1.229 1.529 1.00 0.00 C ATOM 0 H VAL A 27 -4.732 -0.165 3.164 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.174 -2.123 4.786 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.338 -2.942 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.189 -1.329 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.537 -1.779 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.116 -0.208 3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.728 -1.303 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.594 -0.179 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.006 -1.731 1.041 1.00 0.00 H new ATOM 403 N THR A 28 -4.748 -3.967 3.716 1.00 0.00 N ATOM 404 CA THR A 28 -3.713 -4.907 3.266 1.00 0.00 C ATOM 405 C THR A 28 -4.273 -5.946 2.294 1.00 0.00 C ATOM 406 O THR A 28 -4.883 -6.925 2.711 1.00 0.00 O ATOM 407 CB THR A 28 -3.062 -5.607 4.467 1.00 0.00 C ATOM 408 OG1 THR A 28 -4.042 -6.074 5.379 1.00 0.00 O ATOM 409 CG2 THR A 28 -2.104 -4.717 5.233 1.00 0.00 C ATOM 0 H THR A 28 -5.410 -4.349 4.391 1.00 0.00 H new ATOM 0 HA THR A 28 -2.957 -4.328 2.736 1.00 0.00 H new ATOM 0 HB THR A 28 -2.500 -6.438 4.041 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.654 -6.772 5.947 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.679 -5.274 6.069 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.303 -4.390 4.570 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.640 -3.847 5.612 1.00 0.00 H new ATOM 417 N PHE A 29 -4.052 -5.738 0.993 1.00 0.00 N ATOM 418 CA PHE A 29 -4.546 -6.676 -0.018 1.00 0.00 C ATOM 419 C PHE A 29 -3.640 -7.902 -0.104 1.00 0.00 C ATOM 420 O PHE A 29 -2.503 -7.820 -0.571 1.00 0.00 O ATOM 421 CB PHE A 29 -4.643 -6.001 -1.391 1.00 0.00 C ATOM 422 CG PHE A 29 -5.916 -5.226 -1.606 1.00 0.00 C ATOM 423 CD1 PHE A 29 -6.405 -4.376 -0.627 1.00 0.00 C ATOM 424 CD2 PHE A 29 -6.618 -5.346 -2.795 1.00 0.00 C ATOM 425 CE1 PHE A 29 -7.572 -3.664 -0.829 1.00 0.00 C ATOM 426 CE2 PHE A 29 -7.784 -4.637 -3.003 1.00 0.00 C ATOM 427 CZ PHE A 29 -8.262 -3.793 -2.019 1.00 0.00 C ATOM 0 H PHE A 29 -3.541 -4.939 0.618 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.544 -6.995 0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.795 -5.327 -1.514 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.559 -6.763 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.868 -4.269 0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.248 -6.003 -3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.945 -3.007 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.322 -4.742 -3.934 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.173 -3.235 -2.180 1.00 0.00 H new ATOM 437 N LYS A 30 -4.159 -9.037 0.361 1.00 0.00 N ATOM 438 CA LYS A 30 -3.412 -10.293 0.355 1.00 0.00 C ATOM 439 C LYS A 30 -4.233 -11.403 -0.297 1.00 0.00 C ATOM 440 O LYS A 30 -5.426 -11.543 -0.024 1.00 0.00 O ATOM 441 CB LYS A 30 -3.039 -10.690 1.788 1.00 0.00 C ATOM 442 CG LYS A 30 -2.534 -9.532 2.639 1.00 0.00 C ATOM 443 CD LYS A 30 -3.008 -9.648 4.079 1.00 0.00 C ATOM 444 CE LYS A 30 -2.340 -10.814 4.794 1.00 0.00 C ATOM 445 NZ LYS A 30 -3.004 -11.133 6.090 1.00 0.00 N ATOM 0 H LYS A 30 -5.099 -9.112 0.749 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.500 -10.150 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.912 -11.129 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.271 -11.463 1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.445 -9.510 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.882 -8.590 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.791 -8.721 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.090 -9.780 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.361 -11.693 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.292 -10.576 4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.517 -11.933 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.961 -10.303 6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.998 -11.386 5.918 1.00 0.00 H new ATOM 459 N TYR A 31 -3.595 -12.189 -1.161 1.00 0.00 N ATOM 460 CA TYR A 31 -4.286 -13.278 -1.845 1.00 0.00 C ATOM 461 C TYR A 31 -4.167 -14.588 -1.063 1.00 0.00 C ATOM 462 O TYR A 31 -3.065 -15.048 -0.760 1.00 0.00 O ATOM 463 CB TYR A 31 -3.757 -13.445 -3.279 1.00 0.00 C ATOM 464 CG TYR A 31 -2.328 -13.935 -3.369 1.00 0.00 C ATOM 465 CD1 TYR A 31 -1.262 -13.046 -3.322 1.00 0.00 C ATOM 466 CD2 TYR A 31 -2.048 -15.288 -3.504 1.00 0.00 C ATOM 467 CE1 TYR A 31 0.042 -13.492 -3.406 1.00 0.00 C ATOM 468 CE2 TYR A 31 -0.747 -15.743 -3.589 1.00 0.00 C ATOM 469 CZ TYR A 31 0.295 -14.841 -3.538 1.00 0.00 C ATOM 470 OH TYR A 31 1.593 -15.289 -3.619 1.00 0.00 O ATOM 0 H TYR A 31 -2.609 -12.093 -1.402 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.343 -13.020 -1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.402 -14.145 -3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.832 -12.487 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.456 -11.989 -3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.862 -15.997 -3.543 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.860 -12.788 -3.368 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.547 -16.799 -3.695 1.00 0.00 H new ATOM 0 HH TYR A 31 1.901 -15.561 -2.729 1.00 0.00 H new ATOM 480 N ASP A 32 -5.318 -15.178 -0.736 1.00 0.00 N ATOM 481 CA ASP A 32 -5.362 -16.432 0.012 1.00 0.00 C ATOM 482 C ASP A 32 -5.648 -17.607 -0.920 1.00 0.00 C ATOM 483 O ASP A 32 -6.657 -17.616 -1.628 1.00 0.00 O ATOM 484 CB ASP A 32 -6.431 -16.365 1.108 1.00 0.00 C ATOM 485 CG ASP A 32 -5.888 -16.750 2.471 1.00 0.00 C ATOM 486 OD1 ASP A 32 -5.147 -15.939 3.065 1.00 0.00 O ATOM 487 OD2 ASP A 32 -6.205 -17.861 2.945 1.00 0.00 O ATOM 0 H ASP A 32 -6.235 -14.804 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.388 -16.583 0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.837 -15.355 1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.256 -17.028 0.848 1.00 0.00 H new ATOM 492 N GLY A 33 -4.753 -18.593 -0.915 1.00 0.00 N ATOM 493 CA GLY A 33 -4.925 -19.759 -1.763 1.00 0.00 C ATOM 494 C GLY A 33 -4.637 -19.459 -3.222 1.00 0.00 C ATOM 495 O GLY A 33 -3.534 -19.715 -3.707 1.00 0.00 O ATOM 0 H GLY A 33 -3.912 -18.604 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.263 -20.555 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.946 -20.129 -1.665 1.00 0.00 H new ATOM 499 N SER A 34 -5.631 -18.916 -3.926 1.00 0.00 N ATOM 500 CA SER A 34 -5.476 -18.584 -5.341 1.00 0.00 C ATOM 501 C SER A 34 -6.382 -17.420 -5.749 1.00 0.00 C ATOM 502 O SER A 34 -6.832 -17.349 -6.895 1.00 0.00 O ATOM 503 CB SER A 34 -5.781 -19.807 -6.213 1.00 0.00 C ATOM 504 OG SER A 34 -5.485 -21.017 -5.534 1.00 0.00 O ATOM 0 H SER A 34 -6.549 -18.698 -3.540 1.00 0.00 H new ATOM 0 HA SER A 34 -4.441 -18.279 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.833 -19.797 -6.500 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.199 -19.753 -7.133 1.00 0.00 H new ATOM 0 HG SER A 34 -5.692 -21.778 -6.116 1.00 0.00 H new ATOM 510 N THR A 35 -6.646 -16.509 -4.813 1.00 0.00 N ATOM 511 CA THR A 35 -7.496 -15.358 -5.092 1.00 0.00 C ATOM 512 C THR A 35 -7.086 -14.159 -4.242 1.00 0.00 C ATOM 513 O THR A 35 -6.767 -14.304 -3.060 1.00 0.00 O ATOM 514 CB THR A 35 -8.969 -15.708 -4.849 1.00 0.00 C ATOM 515 OG1 THR A 35 -9.808 -14.627 -5.226 1.00 0.00 O ATOM 516 CG2 THR A 35 -9.278 -16.056 -3.405 1.00 0.00 C ATOM 0 H THR A 35 -6.284 -16.547 -3.860 1.00 0.00 H new ATOM 0 HA THR A 35 -7.370 -15.090 -6.141 1.00 0.00 H new ATOM 0 HB THR A 35 -9.161 -16.589 -5.461 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.719 -14.956 -5.373 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.337 -16.293 -3.306 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.684 -16.919 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.035 -15.207 -2.766 1.00 0.00 H new ATOM 524 N ILE A 36 -7.094 -12.979 -4.856 1.00 0.00 N ATOM 525 CA ILE A 36 -6.720 -11.746 -4.171 1.00 0.00 C ATOM 526 C ILE A 36 -7.911 -11.156 -3.424 1.00 0.00 C ATOM 527 O ILE A 36 -9.030 -11.139 -3.940 1.00 0.00 O ATOM 528 CB ILE A 36 -6.164 -10.697 -5.157 1.00 0.00 C ATOM 529 CG1 ILE A 36 -5.020 -11.296 -5.979 1.00 0.00 C ATOM 530 CG2 ILE A 36 -5.690 -9.456 -4.411 1.00 0.00 C ATOM 531 CD1 ILE A 36 -4.984 -10.815 -7.413 1.00 0.00 C ATOM 0 H ILE A 36 -7.357 -12.851 -5.833 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.938 -12.002 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.965 -10.403 -5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.073 -11.051 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.109 -12.382 -5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.302 -8.729 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.526 -9.018 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.903 -9.732 -3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.147 -11.282 -7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.916 -11.084 -7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.863 -9.732 -7.431 1.00 0.00 H new ATOM 543 N VAL A 37 -7.664 -10.682 -2.204 1.00 0.00 N ATOM 544 CA VAL A 37 -8.720 -10.101 -1.382 1.00 0.00 C ATOM 545 C VAL A 37 -8.154 -9.114 -0.356 1.00 0.00 C ATOM 546 O VAL A 37 -7.090 -9.349 0.220 1.00 0.00 O ATOM 547 CB VAL A 37 -9.513 -11.206 -0.649 1.00 0.00 C ATOM 548 CG1 VAL A 37 -8.601 -12.003 0.274 1.00 0.00 C ATOM 549 CG2 VAL A 37 -10.684 -10.617 0.123 1.00 0.00 C ATOM 0 H VAL A 37 -6.743 -10.689 -1.765 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.389 -9.560 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.915 -11.886 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.180 -12.775 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.808 -12.469 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.161 -11.336 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.225 -11.416 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.313 -9.906 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.355 -10.106 -0.568 1.00 0.00 H new ATOM 559 N PRO A 38 -8.861 -7.991 -0.111 1.00 0.00 N ATOM 560 CA PRO A 38 -8.419 -6.971 0.856 1.00 0.00 C ATOM 561 C PRO A 38 -8.222 -7.542 2.260 1.00 0.00 C ATOM 562 O PRO A 38 -8.838 -8.547 2.622 1.00 0.00 O ATOM 563 CB PRO A 38 -9.562 -5.950 0.854 1.00 0.00 C ATOM 564 CG PRO A 38 -10.261 -6.157 -0.444 1.00 0.00 C ATOM 565 CD PRO A 38 -10.142 -7.622 -0.748 1.00 0.00 C ATOM 0 HA PRO A 38 -7.452 -6.550 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.236 -6.111 1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.182 -4.932 0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.306 -5.856 -0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.807 -5.557 -1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.976 -8.189 -0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.128 -7.812 -1.821 1.00 0.00 H new ATOM 573 N GLY A 39 -7.359 -6.895 3.046 1.00 0.00 N ATOM 574 CA GLY A 39 -7.090 -7.341 4.391 1.00 0.00 C ATOM 575 C GLY A 39 -7.238 -6.224 5.401 1.00 0.00 C ATOM 576 O GLY A 39 -7.951 -5.253 5.154 1.00 0.00 O ATOM 0 H GLY A 39 -6.841 -6.063 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.771 -8.153 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.079 -7.745 4.443 1.00 0.00 H new ATOM 580 N GLU A 40 -6.554 -6.378 6.533 1.00 0.00 N ATOM 581 CA GLU A 40 -6.582 -5.413 7.641 1.00 0.00 C ATOM 582 C GLU A 40 -6.947 -4.005 7.184 1.00 0.00 C ATOM 583 O GLU A 40 -6.371 -3.482 6.234 1.00 0.00 O ATOM 584 CB GLU A 40 -5.233 -5.385 8.363 1.00 0.00 C ATOM 585 CG GLU A 40 -4.957 -6.621 9.206 1.00 0.00 C ATOM 586 CD GLU A 40 -4.258 -7.720 8.425 1.00 0.00 C ATOM 587 OE1 GLU A 40 -4.960 -8.527 7.777 1.00 0.00 O ATOM 588 OE2 GLU A 40 -3.011 -7.772 8.459 1.00 0.00 O ATOM 0 H GLU A 40 -5.956 -7.185 6.713 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.360 -5.749 8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.439 -5.277 7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.194 -4.504 9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.342 -6.342 10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.898 -7.004 9.601 1.00 0.00 H new ATOM 595 N GLN A 41 -7.910 -3.399 7.878 1.00 0.00 N ATOM 596 CA GLN A 41 -8.365 -2.047 7.560 1.00 0.00 C ATOM 597 C GLN A 41 -8.423 -1.197 8.824 1.00 0.00 C ATOM 598 O GLN A 41 -9.389 -1.269 9.586 1.00 0.00 O ATOM 599 CB GLN A 41 -9.743 -2.082 6.890 1.00 0.00 C ATOM 600 CG GLN A 41 -9.896 -3.182 5.852 1.00 0.00 C ATOM 601 CD GLN A 41 -11.237 -3.136 5.141 1.00 0.00 C ATOM 602 OE1 GLN A 41 -11.497 -2.042 4.432 1.00 0.00 O flip ATOM 603 NE2 GLN A 41 -12.030 -4.072 5.230 1.00 0.00 N flip ATOM 0 H GLN A 41 -8.392 -3.827 8.669 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.652 -1.602 6.866 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.506 -2.212 7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.929 -1.119 6.415 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.096 -3.095 5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.780 -4.151 6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.790 -4.893 5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.928 -4.027 4.749 1.00 0.00 H new ATOM 612 N GLY A 42 -7.381 -0.402 9.047 1.00 0.00 N ATOM 613 CA GLY A 42 -7.335 0.439 10.233 1.00 0.00 C ATOM 614 C GLY A 42 -6.866 1.851 9.949 1.00 0.00 C ATOM 615 O GLY A 42 -6.293 2.127 8.894 1.00 0.00 O ATOM 0 H GLY A 42 -6.571 -0.324 8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.328 0.477 10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.670 -0.016 10.967 1.00 0.00 H new ATOM 619 N ALA A 43 -7.108 2.744 10.907 1.00 0.00 N ATOM 620 CA ALA A 43 -6.704 4.141 10.785 1.00 0.00 C ATOM 621 C ALA A 43 -5.295 4.351 11.338 1.00 0.00 C ATOM 622 O ALA A 43 -4.628 5.331 11.001 1.00 0.00 O ATOM 623 CB ALA A 43 -7.694 5.046 11.507 1.00 0.00 C ATOM 0 H ALA A 43 -7.585 2.522 11.781 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.699 4.401 9.726 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.378 6.084 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.685 4.924 11.069 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.729 4.778 12.563 1.00 0.00 H new ATOM 629 N GLU A 44 -4.848 3.424 12.189 1.00 0.00 N ATOM 630 CA GLU A 44 -3.522 3.506 12.790 1.00 0.00 C ATOM 631 C GLU A 44 -2.501 2.736 11.957 1.00 0.00 C ATOM 632 O GLU A 44 -2.696 1.555 11.660 1.00 0.00 O ATOM 633 CB GLU A 44 -3.555 2.955 14.217 1.00 0.00 C ATOM 634 CG GLU A 44 -3.658 4.033 15.284 1.00 0.00 C ATOM 635 CD GLU A 44 -2.689 3.814 16.431 1.00 0.00 C ATOM 636 OE1 GLU A 44 -1.464 3.908 16.202 1.00 0.00 O ATOM 637 OE2 GLU A 44 -3.156 3.548 17.559 1.00 0.00 O ATOM 0 H GLU A 44 -5.389 2.608 12.475 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.224 4.554 12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.402 2.276 14.316 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.653 2.368 14.392 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.466 5.006 14.832 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.676 4.058 15.673 1.00 0.00 H new ATOM 644 N TYR A 45 -1.415 3.410 11.586 1.00 0.00 N ATOM 645 CA TYR A 45 -0.362 2.786 10.788 1.00 0.00 C ATOM 646 C TYR A 45 0.427 1.759 11.599 1.00 0.00 C ATOM 647 O TYR A 45 1.096 0.899 11.025 1.00 0.00 O ATOM 648 CB TYR A 45 0.587 3.844 10.232 1.00 0.00 C ATOM 649 CG TYR A 45 1.344 3.384 9.009 1.00 0.00 C ATOM 650 CD1 TYR A 45 0.723 3.322 7.769 1.00 0.00 C ATOM 651 CD2 TYR A 45 2.679 3.019 9.093 1.00 0.00 C ATOM 652 CE1 TYR A 45 1.413 2.912 6.645 1.00 0.00 C ATOM 653 CE2 TYR A 45 3.377 2.604 7.975 1.00 0.00 C ATOM 654 CZ TYR A 45 2.740 2.554 6.753 1.00 0.00 C ATOM 655 OH TYR A 45 3.431 2.149 5.635 1.00 0.00 O ATOM 0 H TYR A 45 -1.241 4.386 11.824 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.846 2.266 9.961 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.017 4.739 9.982 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.300 4.126 11.007 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.317 3.599 7.682 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.182 3.060 10.048 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.916 2.872 5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.416 2.320 8.058 1.00 0.00 H new ATOM 0 HH TYR A 45 4.394 2.224 5.800 1.00 0.00 H new ATOM 665 N GLN A 46 0.347 1.848 12.930 1.00 0.00 N ATOM 666 CA GLN A 46 1.054 0.911 13.805 1.00 0.00 C ATOM 667 C GLN A 46 0.841 -0.529 13.337 1.00 0.00 C ATOM 668 O GLN A 46 1.779 -1.328 13.310 1.00 0.00 O ATOM 669 CB GLN A 46 0.581 1.069 15.254 1.00 0.00 C ATOM 670 CG GLN A 46 1.672 0.805 16.281 1.00 0.00 C ATOM 671 CD GLN A 46 2.661 1.951 16.393 1.00 0.00 C ATOM 672 OE1 GLN A 46 2.928 2.655 15.420 1.00 0.00 O ATOM 673 NE2 GLN A 46 3.211 2.145 17.587 1.00 0.00 N ATOM 0 H GLN A 46 -0.198 2.556 13.422 1.00 0.00 H new ATOM 0 HA GLN A 46 2.119 1.138 13.757 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.198 2.080 15.395 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.249 0.386 15.433 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.214 0.629 17.254 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.207 -0.106 16.011 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.962 1.538 18.368 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.882 2.901 17.723 1.00 0.00 H new ATOM 682 N HIS A 47 -0.398 -0.842 12.951 1.00 0.00 N ATOM 683 CA HIS A 47 -0.742 -2.173 12.460 1.00 0.00 C ATOM 684 C HIS A 47 -0.055 -2.457 11.127 1.00 0.00 C ATOM 685 O HIS A 47 0.365 -3.584 10.867 1.00 0.00 O ATOM 686 CB HIS A 47 -2.257 -2.298 12.295 1.00 0.00 C ATOM 687 CG HIS A 47 -2.953 -2.878 13.487 1.00 0.00 C ATOM 688 ND1 HIS A 47 -2.339 -3.068 14.708 1.00 0.00 N ATOM 689 CD2 HIS A 47 -4.225 -3.315 13.635 1.00 0.00 C ATOM 690 CE1 HIS A 47 -3.203 -3.598 15.555 1.00 0.00 C ATOM 691 NE2 HIS A 47 -4.354 -3.756 14.928 1.00 0.00 N ATOM 0 H HIS A 47 -1.180 -0.188 12.970 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.396 -2.903 13.191 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.672 -1.312 12.089 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.467 -2.921 11.425 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.995 -3.316 12.877 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.002 -3.858 16.584 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.203 -4.144 15.339 1.00 0.00 H new ATOM 700 N PHE A 48 0.058 -1.427 10.287 1.00 0.00 N ATOM 701 CA PHE A 48 0.696 -1.565 8.983 1.00 0.00 C ATOM 702 C PHE A 48 2.140 -2.048 9.125 1.00 0.00 C ATOM 703 O PHE A 48 2.553 -2.996 8.457 1.00 0.00 O ATOM 704 CB PHE A 48 0.663 -0.228 8.237 1.00 0.00 C ATOM 705 CG PHE A 48 0.800 -0.366 6.749 1.00 0.00 C ATOM 706 CD1 PHE A 48 1.941 -0.924 6.196 1.00 0.00 C ATOM 707 CD2 PHE A 48 -0.212 0.059 5.904 1.00 0.00 C ATOM 708 CE1 PHE A 48 2.071 -1.057 4.829 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.088 -0.071 4.534 1.00 0.00 C ATOM 710 CZ PHE A 48 1.055 -0.630 3.997 1.00 0.00 C ATOM 0 H PHE A 48 -0.285 -0.488 10.490 1.00 0.00 H new ATOM 0 HA PHE A 48 0.142 -2.310 8.412 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.275 0.281 8.461 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.467 0.406 8.610 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.738 -1.259 6.843 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.107 0.497 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.965 -1.494 4.410 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.883 0.264 3.884 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.154 -0.733 2.927 1.00 0.00 H new ATOM 720 N ILE A 49 2.897 -1.389 10.002 1.00 0.00 N ATOM 721 CA ILE A 49 4.297 -1.742 10.241 1.00 0.00 C ATOM 722 C ILE A 49 4.413 -3.073 10.986 1.00 0.00 C ATOM 723 O ILE A 49 5.265 -3.903 10.666 1.00 0.00 O ATOM 724 CB ILE A 49 5.021 -0.647 11.057 1.00 0.00 C ATOM 725 CG1 ILE A 49 4.810 0.731 10.420 1.00 0.00 C ATOM 726 CG2 ILE A 49 6.508 -0.953 11.175 1.00 0.00 C ATOM 727 CD1 ILE A 49 5.195 1.882 11.325 1.00 0.00 C ATOM 0 H ILE A 49 2.563 -0.604 10.561 1.00 0.00 H new ATOM 0 HA ILE A 49 4.770 -1.833 9.263 1.00 0.00 H new ATOM 0 HB ILE A 49 4.592 -0.635 12.059 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.394 0.791 9.502 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.762 0.836 10.139 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.996 -0.169 11.753 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.644 -1.911 11.676 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.950 -0.999 10.180 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.019 2.826 10.808 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.593 1.848 12.233 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.250 1.802 11.586 1.00 0.00 H new ATOM 739 N GLN A 50 3.558 -3.258 11.991 1.00 0.00 N ATOM 740 CA GLN A 50 3.558 -4.471 12.806 1.00 0.00 C ATOM 741 C GLN A 50 3.282 -5.725 11.970 1.00 0.00 C ATOM 742 O GLN A 50 3.959 -6.742 12.127 1.00 0.00 O ATOM 743 CB GLN A 50 2.516 -4.340 13.920 1.00 0.00 C ATOM 744 CG GLN A 50 2.593 -5.433 14.972 1.00 0.00 C ATOM 745 CD GLN A 50 2.385 -4.898 16.377 1.00 0.00 C ATOM 746 OE1 GLN A 50 3.339 -4.723 17.134 1.00 0.00 O ATOM 747 NE2 GLN A 50 1.131 -4.629 16.733 1.00 0.00 N ATOM 0 H GLN A 50 2.850 -2.575 12.262 1.00 0.00 H new ATOM 0 HA GLN A 50 4.552 -4.583 13.240 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.640 -3.373 14.407 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.521 -4.348 13.475 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.840 -6.192 14.760 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.565 -5.923 14.913 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.369 -4.789 16.075 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.933 -4.263 17.664 1.00 0.00 H new ATOM 756 N GLN A 51 2.283 -5.651 11.095 1.00 0.00 N ATOM 757 CA GLN A 51 1.916 -6.786 10.248 1.00 0.00 C ATOM 758 C GLN A 51 2.898 -6.972 9.088 1.00 0.00 C ATOM 759 O GLN A 51 3.118 -8.097 8.633 1.00 0.00 O ATOM 760 CB GLN A 51 0.495 -6.605 9.709 1.00 0.00 C ATOM 761 CG GLN A 51 -0.573 -6.598 10.796 1.00 0.00 C ATOM 762 CD GLN A 51 -0.438 -7.761 11.763 1.00 0.00 C ATOM 763 OE1 GLN A 51 -0.916 -8.863 11.495 1.00 0.00 O ATOM 764 NE2 GLN A 51 0.216 -7.522 12.896 1.00 0.00 N ATOM 0 H GLN A 51 1.712 -4.818 10.953 1.00 0.00 H new ATOM 0 HA GLN A 51 1.958 -7.684 10.865 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.442 -5.669 9.154 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.278 -7.407 9.003 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.514 -5.662 11.351 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.558 -6.631 10.331 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.597 -6.594 13.079 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.337 -8.267 13.582 1.00 0.00 H new ATOM 773 N CYS A 52 3.480 -5.871 8.610 1.00 0.00 N ATOM 774 CA CYS A 52 4.429 -5.923 7.501 1.00 0.00 C ATOM 775 C CYS A 52 5.788 -6.461 7.951 1.00 0.00 C ATOM 776 O CYS A 52 6.706 -5.696 8.255 1.00 0.00 O ATOM 777 CB CYS A 52 4.597 -4.537 6.872 1.00 0.00 C ATOM 778 SG CYS A 52 3.404 -4.175 5.561 1.00 0.00 S ATOM 0 H CYS A 52 3.310 -4.934 8.974 1.00 0.00 H new ATOM 0 HA CYS A 52 4.024 -6.607 6.755 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.504 -3.781 7.652 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.605 -4.453 6.465 1.00 0.00 H new ATOM 0 HG CYS A 52 2.976 -2.954 5.689 1.00 0.00 H new ATOM 784 N THR A 53 5.907 -7.787 7.975 1.00 0.00 N ATOM 785 CA THR A 53 7.152 -8.449 8.366 1.00 0.00 C ATOM 786 C THR A 53 8.004 -8.744 7.128 1.00 0.00 C ATOM 787 O THR A 53 7.533 -8.606 5.999 1.00 0.00 O ATOM 788 CB THR A 53 6.856 -9.749 9.124 1.00 0.00 C ATOM 789 OG1 THR A 53 6.100 -10.641 8.319 1.00 0.00 O ATOM 790 CG2 THR A 53 6.095 -9.536 10.420 1.00 0.00 C ATOM 0 H THR A 53 5.153 -8.428 7.727 1.00 0.00 H new ATOM 0 HA THR A 53 7.706 -7.781 9.026 1.00 0.00 H new ATOM 0 HB THR A 53 7.833 -10.167 9.365 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.480 -11.542 8.383 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.921 -10.498 10.902 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.678 -8.898 11.084 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.139 -9.059 10.206 1.00 0.00 H new ATOM 798 N ASP A 54 9.258 -9.152 7.338 1.00 0.00 N ATOM 799 CA ASP A 54 10.157 -9.459 6.224 1.00 0.00 C ATOM 800 C ASP A 54 9.990 -10.901 5.726 1.00 0.00 C ATOM 801 O ASP A 54 10.861 -11.424 5.029 1.00 0.00 O ATOM 802 CB ASP A 54 11.610 -9.209 6.635 1.00 0.00 C ATOM 803 CG ASP A 54 12.015 -7.756 6.472 1.00 0.00 C ATOM 804 OD1 ASP A 54 11.998 -7.260 5.325 1.00 0.00 O ATOM 805 OD2 ASP A 54 12.345 -7.116 7.491 1.00 0.00 O ATOM 0 H ASP A 54 9.671 -9.277 8.262 1.00 0.00 H new ATOM 0 HA ASP A 54 9.892 -8.797 5.400 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.747 -9.507 7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.268 -9.836 6.034 1.00 0.00 H new ATOM 810 N ASP A 55 8.872 -11.540 6.081 1.00 0.00 N ATOM 811 CA ASP A 55 8.600 -12.907 5.668 1.00 0.00 C ATOM 812 C ASP A 55 7.171 -13.029 5.152 1.00 0.00 C ATOM 813 O ASP A 55 6.325 -13.668 5.779 1.00 0.00 O ATOM 814 CB ASP A 55 8.815 -13.863 6.838 1.00 0.00 C ATOM 815 CG ASP A 55 8.609 -13.205 8.192 1.00 0.00 C ATOM 816 OD1 ASP A 55 9.577 -12.620 8.722 1.00 0.00 O ATOM 817 OD2 ASP A 55 7.479 -13.273 8.720 1.00 0.00 O ATOM 0 H ASP A 55 8.140 -11.124 6.657 1.00 0.00 H new ATOM 0 HA ASP A 55 9.288 -13.171 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.129 -14.705 6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.826 -14.268 6.788 1.00 0.00 H new ATOM 822 N VAL A 56 6.903 -12.398 4.010 1.00 0.00 N ATOM 823 CA VAL A 56 5.562 -12.421 3.418 1.00 0.00 C ATOM 824 C VAL A 56 5.530 -11.680 2.081 1.00 0.00 C ATOM 825 O VAL A 56 6.566 -11.274 1.562 1.00 0.00 O ATOM 826 CB VAL A 56 4.511 -11.792 4.373 1.00 0.00 C ATOM 827 CG1 VAL A 56 3.785 -12.872 5.159 1.00 0.00 C ATOM 828 CG2 VAL A 56 5.157 -10.784 5.319 1.00 0.00 C ATOM 0 H VAL A 56 7.591 -11.866 3.477 1.00 0.00 H new ATOM 0 HA VAL A 56 5.311 -13.468 3.251 1.00 0.00 H new ATOM 0 HB VAL A 56 3.782 -11.260 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.053 -12.410 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.276 -13.544 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.505 -13.437 5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.396 -10.361 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.917 -11.284 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.620 -9.986 4.739 1.00 0.00 H new ATOM 838 N ARG A 57 4.330 -11.510 1.530 1.00 0.00 N ATOM 839 CA ARG A 57 4.155 -10.816 0.258 1.00 0.00 C ATOM 840 C ARG A 57 2.721 -10.315 0.118 1.00 0.00 C ATOM 841 O ARG A 57 1.781 -11.107 0.058 1.00 0.00 O ATOM 842 CB ARG A 57 4.508 -11.742 -0.910 1.00 0.00 C ATOM 843 CG ARG A 57 3.810 -13.095 -0.858 1.00 0.00 C ATOM 844 CD ARG A 57 4.675 -14.143 -0.175 1.00 0.00 C ATOM 845 NE ARG A 57 3.964 -14.834 0.902 1.00 0.00 N ATOM 846 CZ ARG A 57 4.564 -15.584 1.830 1.00 0.00 C ATOM 847 NH1 ARG A 57 5.886 -15.740 1.819 1.00 0.00 N ATOM 848 NH2 ARG A 57 3.841 -16.179 2.772 1.00 0.00 N ATOM 0 H ARG A 57 3.462 -11.845 1.947 1.00 0.00 H new ATOM 0 HA ARG A 57 4.828 -9.959 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.248 -11.246 -1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.586 -11.901 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.865 -12.998 -0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.572 -13.422 -1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.009 -14.872 -0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.568 -13.666 0.229 1.00 0.00 H new ATOM 0 HE ARG A 57 2.950 -14.737 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.447 -15.285 1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.338 -16.314 2.531 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.828 -16.063 2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.299 -16.752 3.481 1.00 0.00 H new ATOM 862 N LEU A 58 2.555 -8.995 0.084 1.00 0.00 N ATOM 863 CA LEU A 58 1.227 -8.398 -0.033 1.00 0.00 C ATOM 864 C LEU A 58 1.299 -6.973 -0.576 1.00 0.00 C ATOM 865 O LEU A 58 2.308 -6.285 -0.412 1.00 0.00 O ATOM 866 CB LEU A 58 0.528 -8.403 1.331 1.00 0.00 C ATOM 867 CG LEU A 58 1.179 -7.516 2.397 1.00 0.00 C ATOM 868 CD1 LEU A 58 0.558 -6.127 2.388 1.00 0.00 C ATOM 869 CD2 LEU A 58 1.050 -8.151 3.774 1.00 0.00 C ATOM 0 H LEU A 58 3.319 -8.321 0.135 1.00 0.00 H new ATOM 0 HA LEU A 58 0.652 -8.997 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.505 -8.082 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.497 -9.427 1.702 1.00 0.00 H new ATOM 0 HG LEU A 58 2.239 -7.420 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.033 -5.511 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.705 -5.669 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.509 -6.204 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.518 -7.506 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.005 -8.280 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.544 -9.123 3.774 1.00 0.00 H new ATOM 881 N PHE A 59 0.216 -6.534 -1.214 1.00 0.00 N ATOM 882 CA PHE A 59 0.144 -5.189 -1.775 1.00 0.00 C ATOM 883 C PHE A 59 -0.779 -4.310 -0.934 1.00 0.00 C ATOM 884 O PHE A 59 -2.000 -4.364 -1.077 1.00 0.00 O ATOM 885 CB PHE A 59 -0.347 -5.227 -3.230 1.00 0.00 C ATOM 886 CG PHE A 59 0.073 -6.456 -3.995 1.00 0.00 C ATOM 887 CD1 PHE A 59 1.404 -6.843 -4.041 1.00 0.00 C ATOM 888 CD2 PHE A 59 -0.866 -7.220 -4.668 1.00 0.00 C ATOM 889 CE1 PHE A 59 1.789 -7.969 -4.743 1.00 0.00 C ATOM 890 CE2 PHE A 59 -0.487 -8.347 -5.372 1.00 0.00 C ATOM 891 CZ PHE A 59 0.842 -8.722 -5.409 1.00 0.00 C ATOM 0 H PHE A 59 -0.625 -7.093 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 59 1.147 -4.764 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.435 -5.164 -3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.026 -4.345 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.148 -6.257 -3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.906 -6.932 -4.642 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.829 -8.260 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.229 -8.934 -5.893 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.140 -9.603 -5.958 1.00 0.00 H new ATOM 901 N ALA A 60 -0.188 -3.501 -0.059 1.00 0.00 N ATOM 902 CA ALA A 60 -0.957 -2.609 0.801 1.00 0.00 C ATOM 903 C ALA A 60 -0.798 -1.164 0.352 1.00 0.00 C ATOM 904 O ALA A 60 0.175 -0.818 -0.317 1.00 0.00 O ATOM 905 CB ALA A 60 -0.527 -2.769 2.252 1.00 0.00 C ATOM 0 H ALA A 60 0.822 -3.445 0.073 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.010 -2.877 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.110 -2.096 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.694 -3.798 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.532 -2.527 2.347 1.00 0.00 H new ATOM 911 N PHE A 61 -1.759 -0.322 0.715 1.00 0.00 N ATOM 912 CA PHE A 61 -1.713 1.085 0.337 1.00 0.00 C ATOM 913 C PHE A 61 -2.456 1.955 1.349 1.00 0.00 C ATOM 914 O PHE A 61 -3.226 1.452 2.168 1.00 0.00 O ATOM 915 CB PHE A 61 -2.295 1.270 -1.068 1.00 0.00 C ATOM 916 CG PHE A 61 -3.767 0.994 -1.163 1.00 0.00 C ATOM 917 CD1 PHE A 61 -4.238 -0.307 -1.215 1.00 0.00 C ATOM 918 CD2 PHE A 61 -4.674 2.038 -1.209 1.00 0.00 C ATOM 919 CE1 PHE A 61 -5.592 -0.561 -1.309 1.00 0.00 C ATOM 920 CE2 PHE A 61 -6.027 1.791 -1.304 1.00 0.00 C ATOM 921 CZ PHE A 61 -6.489 0.489 -1.354 1.00 0.00 C ATOM 0 H PHE A 61 -2.575 -0.587 1.267 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.671 1.404 0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.106 2.292 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.767 0.611 -1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.540 -1.131 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.318 3.057 -1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.950 -1.579 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.725 2.614 -1.339 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.548 0.293 -1.428 1.00 0.00 H new ATOM 931 N VAL A 62 -2.209 3.264 1.288 1.00 0.00 N ATOM 932 CA VAL A 62 -2.846 4.206 2.206 1.00 0.00 C ATOM 933 C VAL A 62 -3.310 5.464 1.478 1.00 0.00 C ATOM 934 O VAL A 62 -2.738 5.848 0.456 1.00 0.00 O ATOM 935 CB VAL A 62 -1.891 4.614 3.351 1.00 0.00 C ATOM 936 CG1 VAL A 62 -2.662 5.277 4.485 1.00 0.00 C ATOM 937 CG2 VAL A 62 -1.113 3.409 3.863 1.00 0.00 C ATOM 0 H VAL A 62 -1.575 3.694 0.615 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.711 3.694 2.627 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.177 5.336 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.971 5.556 5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.164 6.169 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.404 4.581 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.448 3.721 4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.809 2.659 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.524 2.984 3.050 1.00 0.00 H new ATOM 947 N ARG A 63 -4.347 6.103 2.015 1.00 0.00 N ATOM 948 CA ARG A 63 -4.889 7.324 1.423 1.00 0.00 C ATOM 949 C ARG A 63 -4.655 8.519 2.345 1.00 0.00 C ATOM 950 O ARG A 63 -5.341 8.679 3.356 1.00 0.00 O ATOM 951 CB ARG A 63 -6.385 7.158 1.140 1.00 0.00 C ATOM 952 CG ARG A 63 -6.952 8.225 0.213 1.00 0.00 C ATOM 953 CD ARG A 63 -7.816 9.226 0.965 1.00 0.00 C ATOM 954 NE ARG A 63 -8.925 8.579 1.674 1.00 0.00 N ATOM 955 CZ ARG A 63 -9.988 9.228 2.149 1.00 0.00 C ATOM 956 NH1 ARG A 63 -10.100 10.545 1.999 1.00 0.00 N ATOM 957 NH2 ARG A 63 -10.945 8.556 2.778 1.00 0.00 N ATOM 0 H ARG A 63 -4.829 5.795 2.860 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.372 7.509 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.556 6.176 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.930 7.182 2.084 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.134 8.750 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.544 7.750 -0.569 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.199 9.771 1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.214 9.959 0.263 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.880 7.569 1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.369 11.067 1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.917 11.032 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.865 7.546 2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.760 9.050 3.143 1.00 0.00 H new ATOM 971 N PHE A 64 -3.680 9.353 1.989 1.00 0.00 N ATOM 972 CA PHE A 64 -3.350 10.534 2.785 1.00 0.00 C ATOM 973 C PHE A 64 -3.887 11.807 2.136 1.00 0.00 C ATOM 974 O PHE A 64 -4.393 11.784 1.012 1.00 0.00 O ATOM 975 CB PHE A 64 -1.835 10.659 2.963 1.00 0.00 C ATOM 976 CG PHE A 64 -1.183 9.442 3.558 1.00 0.00 C ATOM 977 CD1 PHE A 64 -1.375 9.117 4.891 1.00 0.00 C ATOM 978 CD2 PHE A 64 -0.370 8.632 2.784 1.00 0.00 C ATOM 979 CE1 PHE A 64 -0.768 8.004 5.440 1.00 0.00 C ATOM 980 CE2 PHE A 64 0.241 7.520 3.327 1.00 0.00 C ATOM 981 CZ PHE A 64 0.042 7.204 4.658 1.00 0.00 C ATOM 0 H PHE A 64 -3.105 9.233 1.155 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.821 10.411 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.382 10.863 1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.625 11.518 3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.006 9.740 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.212 8.873 1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.927 7.760 6.480 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.874 6.897 2.713 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.519 6.334 5.085 1.00 0.00 H new ATOM 991 N THR A 65 -3.758 12.921 2.854 1.00 0.00 N ATOM 992 CA THR A 65 -4.211 14.215 2.360 1.00 0.00 C ATOM 993 C THR A 65 -3.058 15.215 2.362 1.00 0.00 C ATOM 994 O THR A 65 -2.545 15.581 3.422 1.00 0.00 O ATOM 995 CB THR A 65 -5.372 14.745 3.211 1.00 0.00 C ATOM 996 OG1 THR A 65 -6.107 13.677 3.786 1.00 0.00 O ATOM 997 CG2 THR A 65 -6.348 15.599 2.429 1.00 0.00 C ATOM 0 H THR A 65 -3.341 12.951 3.784 1.00 0.00 H new ATOM 0 HA THR A 65 -4.565 14.086 1.337 1.00 0.00 H new ATOM 0 HB THR A 65 -4.904 15.361 3.979 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.841 14.038 4.326 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.144 15.941 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.826 16.461 2.014 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.778 15.011 1.618 1.00 0.00 H new ATOM 1005 N THR A 66 -2.650 15.647 1.171 1.00 0.00 N ATOM 1006 CA THR A 66 -1.550 16.598 1.034 1.00 0.00 C ATOM 1007 C THR A 66 -2.061 18.035 1.078 1.00 0.00 C ATOM 1008 O THR A 66 -2.420 18.611 0.049 1.00 0.00 O ATOM 1009 CB THR A 66 -0.786 16.348 -0.270 1.00 0.00 C ATOM 1010 OG1 THR A 66 -1.681 16.212 -1.362 1.00 0.00 O ATOM 1011 CG2 THR A 66 0.081 15.107 -0.230 1.00 0.00 C ATOM 0 H THR A 66 -3.065 15.353 0.287 1.00 0.00 H new ATOM 0 HA THR A 66 -0.871 16.451 1.874 1.00 0.00 H new ATOM 0 HB THR A 66 -0.141 17.218 -0.395 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.296 16.975 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.593 14.990 -1.185 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.818 15.203 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.543 14.233 -0.044 1.00 0.00 H new ATOM 1019 N GLY A 67 -2.090 18.611 2.279 1.00 0.00 N ATOM 1020 CA GLY A 67 -2.556 19.979 2.440 1.00 0.00 C ATOM 1021 C GLY A 67 -2.092 20.608 3.738 1.00 0.00 C ATOM 1022 O GLY A 67 -1.429 19.958 4.549 1.00 0.00 O ATOM 0 H GLY A 67 -1.799 18.154 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.201 20.580 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.645 19.994 2.403 1.00 0.00 H new ATOM 1026 N ASP A 68 -2.451 21.877 3.940 1.00 0.00 N ATOM 1027 CA ASP A 68 -2.074 22.599 5.153 1.00 0.00 C ATOM 1028 C ASP A 68 -2.982 23.805 5.384 1.00 0.00 C ATOM 1029 O ASP A 68 -2.607 24.945 5.096 1.00 0.00 O ATOM 1030 CB ASP A 68 -0.614 23.052 5.070 1.00 0.00 C ATOM 1031 CG ASP A 68 -0.046 23.424 6.427 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -0.125 22.589 7.353 1.00 0.00 O ATOM 1033 OD2 ASP A 68 0.477 24.550 6.564 1.00 0.00 O ATOM 0 H ASP A 68 -3.002 22.424 3.279 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.190 21.919 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.013 22.254 4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.540 23.909 4.401 1.00 0.00 H new ATOM 1038 N ALA A 69 -4.175 23.543 5.919 1.00 0.00 N ATOM 1039 CA ALA A 69 -5.156 24.590 6.213 1.00 0.00 C ATOM 1040 C ALA A 69 -5.261 25.624 5.093 1.00 0.00 C ATOM 1041 O ALA A 69 -5.398 26.825 5.344 1.00 0.00 O ATOM 1042 CB ALA A 69 -4.811 25.268 7.522 1.00 0.00 C ATOM 0 H ALA A 69 -4.488 22.603 6.160 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.130 24.108 6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.545 26.045 7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.819 24.532 8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.820 25.715 7.450 1.00 0.00 H new ATOM 1048 N MET A 70 -5.203 25.144 3.862 1.00 0.00 N ATOM 1049 CA MET A 70 -5.296 26.013 2.689 1.00 0.00 C ATOM 1050 C MET A 70 -5.704 25.230 1.438 1.00 0.00 C ATOM 1051 O MET A 70 -6.446 25.740 0.598 1.00 0.00 O ATOM 1052 CB MET A 70 -3.967 26.738 2.447 1.00 0.00 C ATOM 1053 CG MET A 70 -2.780 25.806 2.257 1.00 0.00 C ATOM 1054 SD MET A 70 -1.839 26.172 0.763 1.00 0.00 S ATOM 1055 CE MET A 70 -0.167 26.143 1.403 1.00 0.00 C ATOM 0 H MET A 70 -5.092 24.154 3.643 1.00 0.00 H new ATOM 0 HA MET A 70 -6.072 26.752 2.891 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.065 27.370 1.564 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.766 27.398 3.291 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.122 25.881 3.123 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.135 24.776 2.215 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.535 26.353 0.596 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.062 26.899 2.181 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.045 25.159 1.822 1.00 0.00 H new ATOM 1065 N SER A 71 -5.222 23.990 1.321 1.00 0.00 N ATOM 1066 CA SER A 71 -5.543 23.147 0.170 1.00 0.00 C ATOM 1067 C SER A 71 -5.384 21.669 0.515 1.00 0.00 C ATOM 1068 O SER A 71 -4.360 21.056 0.209 1.00 0.00 O ATOM 1069 CB SER A 71 -4.650 23.501 -1.024 1.00 0.00 C ATOM 1070 OG SER A 71 -4.952 24.791 -1.526 1.00 0.00 O ATOM 0 H SER A 71 -4.610 23.550 2.008 1.00 0.00 H new ATOM 0 HA SER A 71 -6.583 23.332 -0.099 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.603 23.461 -0.723 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.783 22.761 -1.813 1.00 0.00 H new ATOM 0 HG SER A 71 -5.612 25.222 -0.944 1.00 0.00 H new ATOM 1076 N LYS A 72 -6.405 21.101 1.152 1.00 0.00 N ATOM 1077 CA LYS A 72 -6.376 19.695 1.534 1.00 0.00 C ATOM 1078 C LYS A 72 -6.800 18.806 0.367 1.00 0.00 C ATOM 1079 O LYS A 72 -7.989 18.682 0.063 1.00 0.00 O ATOM 1080 CB LYS A 72 -7.275 19.446 2.750 1.00 0.00 C ATOM 1081 CG LYS A 72 -8.732 19.823 2.527 1.00 0.00 C ATOM 1082 CD LYS A 72 -9.441 20.106 3.840 1.00 0.00 C ATOM 1083 CE LYS A 72 -10.892 20.496 3.616 1.00 0.00 C ATOM 1084 NZ LYS A 72 -11.041 21.946 3.298 1.00 0.00 N ATOM 0 H LYS A 72 -7.260 21.593 1.413 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.351 19.440 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.220 18.391 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.889 20.013 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.787 20.703 1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.242 19.014 2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.395 19.223 4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.925 20.908 4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.305 19.902 2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.472 20.259 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.047 22.168 3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.671 22.514 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.509 22.168 2.432 1.00 0.00 H new ATOM 1098 N ARG A 73 -5.819 18.191 -0.287 1.00 0.00 N ATOM 1099 CA ARG A 73 -6.082 17.316 -1.423 1.00 0.00 C ATOM 1100 C ARG A 73 -5.909 15.853 -1.026 1.00 0.00 C ATOM 1101 O ARG A 73 -4.920 15.492 -0.387 1.00 0.00 O ATOM 1102 CB ARG A 73 -5.148 17.661 -2.586 1.00 0.00 C ATOM 1103 CG ARG A 73 -5.598 17.098 -3.926 1.00 0.00 C ATOM 1104 CD ARG A 73 -6.842 17.806 -4.447 1.00 0.00 C ATOM 1105 NE ARG A 73 -7.553 17.004 -5.445 1.00 0.00 N ATOM 1106 CZ ARG A 73 -8.803 17.245 -5.851 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -9.488 18.278 -5.364 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -9.368 16.452 -6.755 1.00 0.00 N ATOM 0 H ARG A 73 -4.832 18.284 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.113 17.468 -1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.069 18.745 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.150 17.285 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.791 17.199 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.803 16.032 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.511 18.024 -3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.558 18.762 -4.886 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.062 16.210 -5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.059 18.895 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.442 18.453 -5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.848 15.662 -7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.322 16.633 -7.067 1.00 0.00 H new ATOM 1122 N SER A 74 -6.872 15.017 -1.409 1.00 0.00 N ATOM 1123 CA SER A 74 -6.819 13.593 -1.089 1.00 0.00 C ATOM 1124 C SER A 74 -6.136 12.811 -2.206 1.00 0.00 C ATOM 1125 O SER A 74 -6.407 13.033 -3.388 1.00 0.00 O ATOM 1126 CB SER A 74 -8.227 13.041 -0.846 1.00 0.00 C ATOM 1127 OG SER A 74 -8.283 12.302 0.363 1.00 0.00 O ATOM 0 H SER A 74 -7.696 15.300 -1.940 1.00 0.00 H new ATOM 0 HA SER A 74 -6.235 13.476 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.942 13.863 -0.807 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.520 12.403 -1.680 1.00 0.00 H new ATOM 0 HG SER A 74 -8.669 12.860 1.070 1.00 0.00 H new ATOM 1133 N LYS A 75 -5.247 11.896 -1.823 1.00 0.00 N ATOM 1134 CA LYS A 75 -4.521 11.077 -2.789 1.00 0.00 C ATOM 1135 C LYS A 75 -4.140 9.728 -2.184 1.00 0.00 C ATOM 1136 O LYS A 75 -3.860 9.628 -0.989 1.00 0.00 O ATOM 1137 CB LYS A 75 -3.266 11.809 -3.272 1.00 0.00 C ATOM 1138 CG LYS A 75 -3.474 12.583 -4.563 1.00 0.00 C ATOM 1139 CD LYS A 75 -2.148 12.968 -5.204 1.00 0.00 C ATOM 1140 CE LYS A 75 -2.344 13.504 -6.613 1.00 0.00 C ATOM 1141 NZ LYS A 75 -2.523 12.410 -7.610 1.00 0.00 N ATOM 0 H LYS A 75 -5.013 11.704 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.177 10.899 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.935 12.497 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.466 11.084 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.055 11.979 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.055 13.482 -4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.653 13.722 -4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.491 12.099 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.215 14.158 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.483 14.111 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.653 12.821 -8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.681 11.800 -7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.360 11.845 -7.359 1.00 0.00 H new ATOM 1155 N PHE A 76 -4.132 8.692 -3.022 1.00 0.00 N ATOM 1156 CA PHE A 76 -3.785 7.345 -2.573 1.00 0.00 C ATOM 1157 C PHE A 76 -2.297 7.065 -2.772 1.00 0.00 C ATOM 1158 O PHE A 76 -1.587 7.849 -3.406 1.00 0.00 O ATOM 1159 CB PHE A 76 -4.621 6.303 -3.325 1.00 0.00 C ATOM 1160 CG PHE A 76 -6.091 6.374 -3.011 1.00 0.00 C ATOM 1161 CD1 PHE A 76 -6.900 7.318 -3.626 1.00 0.00 C ATOM 1162 CD2 PHE A 76 -6.659 5.499 -2.101 1.00 0.00 C ATOM 1163 CE1 PHE A 76 -8.249 7.384 -3.338 1.00 0.00 C ATOM 1164 CE2 PHE A 76 -8.009 5.562 -1.808 1.00 0.00 C ATOM 1165 CZ PHE A 76 -8.804 6.506 -2.428 1.00 0.00 C ATOM 0 H PHE A 76 -4.361 8.760 -4.014 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.005 7.278 -1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.479 6.440 -4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.253 5.307 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.471 8.008 -4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.041 4.759 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.870 8.122 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.441 4.874 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.859 6.557 -2.201 1.00 0.00 H new ATOM 1175 N ALA A 77 -1.829 5.944 -2.224 1.00 0.00 N ATOM 1176 CA ALA A 77 -0.424 5.561 -2.339 1.00 0.00 C ATOM 1177 C ALA A 77 -0.255 4.051 -2.206 1.00 0.00 C ATOM 1178 O ALA A 77 -0.357 3.500 -1.109 1.00 0.00 O ATOM 1179 CB ALA A 77 0.409 6.280 -1.287 1.00 0.00 C ATOM 0 H ALA A 77 -2.403 5.286 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.073 5.856 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.453 5.984 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.322 7.357 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.049 6.014 -0.293 1.00 0.00 H new ATOM 1185 N LEU A 78 0.002 3.390 -3.333 1.00 0.00 N ATOM 1186 CA LEU A 78 0.183 1.940 -3.353 1.00 0.00 C ATOM 1187 C LEU A 78 1.597 1.554 -2.925 1.00 0.00 C ATOM 1188 O LEU A 78 2.578 2.149 -3.376 1.00 0.00 O ATOM 1189 CB LEU A 78 -0.102 1.385 -4.751 1.00 0.00 C ATOM 1190 CG LEU A 78 -1.519 0.846 -4.963 1.00 0.00 C ATOM 1191 CD1 LEU A 78 -1.769 0.572 -6.438 1.00 0.00 C ATOM 1192 CD2 LEU A 78 -1.739 -0.417 -4.142 1.00 0.00 C ATOM 0 H LEU A 78 0.090 3.837 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.523 1.508 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.083 2.173 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.608 0.585 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.228 1.602 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.781 0.189 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.653 1.496 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.052 -0.166 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.752 -0.785 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.022 -1.179 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.601 -0.192 -3.084 1.00 0.00 H new ATOM 1204 N ILE A 79 1.691 0.550 -2.054 1.00 0.00 N ATOM 1205 CA ILE A 79 2.981 0.075 -1.563 1.00 0.00 C ATOM 1206 C ILE A 79 3.093 -1.442 -1.696 1.00 0.00 C ATOM 1207 O ILE A 79 2.490 -2.190 -0.922 1.00 0.00 O ATOM 1208 CB ILE A 79 3.210 0.466 -0.088 1.00 0.00 C ATOM 1209 CG1 ILE A 79 2.978 1.965 0.119 1.00 0.00 C ATOM 1210 CG2 ILE A 79 4.615 0.080 0.347 1.00 0.00 C ATOM 1211 CD1 ILE A 79 2.670 2.334 1.555 1.00 0.00 C ATOM 0 H ILE A 79 0.887 0.050 -1.674 1.00 0.00 H new ATOM 0 HA ILE A 79 3.744 0.553 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 79 2.492 -0.077 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.864 2.510 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.153 2.288 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.763 0.361 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.746 -0.997 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.344 0.598 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.517 3.411 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.767 1.816 1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.504 2.041 2.193 1.00 0.00 H new ATOM 1223 N THR A 80 3.874 -1.892 -2.674 1.00 0.00 N ATOM 1224 CA THR A 80 4.070 -3.320 -2.899 1.00 0.00 C ATOM 1225 C THR A 80 5.101 -3.873 -1.915 1.00 0.00 C ATOM 1226 O THR A 80 6.309 -3.762 -2.138 1.00 0.00 O ATOM 1227 CB THR A 80 4.520 -3.588 -4.342 1.00 0.00 C ATOM 1228 OG1 THR A 80 4.253 -2.472 -5.177 1.00 0.00 O ATOM 1229 CG2 THR A 80 3.847 -4.795 -4.961 1.00 0.00 C ATOM 0 H THR A 80 4.381 -1.289 -3.322 1.00 0.00 H new ATOM 0 HA THR A 80 3.118 -3.826 -2.737 1.00 0.00 H new ATOM 0 HB THR A 80 5.591 -3.778 -4.276 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.551 -2.668 -6.090 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.208 -4.930 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.080 -5.683 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.768 -4.642 -4.976 1.00 0.00 H new ATOM 1237 N TRP A 81 4.615 -4.460 -0.822 1.00 0.00 N ATOM 1238 CA TRP A 81 5.493 -5.022 0.200 1.00 0.00 C ATOM 1239 C TRP A 81 5.828 -6.481 -0.102 1.00 0.00 C ATOM 1240 O TRP A 81 4.949 -7.274 -0.443 1.00 0.00 O ATOM 1241 CB TRP A 81 4.843 -4.915 1.585 1.00 0.00 C ATOM 1242 CG TRP A 81 5.646 -5.574 2.666 1.00 0.00 C ATOM 1243 CD1 TRP A 81 5.324 -6.709 3.354 1.00 0.00 C ATOM 1244 CD2 TRP A 81 6.911 -5.140 3.176 1.00 0.00 C ATOM 1245 NE1 TRP A 81 6.313 -7.007 4.260 1.00 0.00 N ATOM 1246 CE2 TRP A 81 7.297 -6.057 4.171 1.00 0.00 C ATOM 1247 CE3 TRP A 81 7.754 -4.064 2.887 1.00 0.00 C ATOM 1248 CZ2 TRP A 81 8.490 -5.929 4.878 1.00 0.00 C ATOM 1249 CZ3 TRP A 81 8.936 -3.938 3.590 1.00 0.00 C ATOM 1250 CH2 TRP A 81 9.295 -4.866 4.574 1.00 0.00 C ATOM 0 H TRP A 81 3.619 -4.558 -0.623 1.00 0.00 H new ATOM 0 HA TRP A 81 6.419 -4.447 0.194 1.00 0.00 H new ATOM 0 HB2 TRP A 81 4.705 -3.863 1.834 1.00 0.00 H new ATOM 0 HB3 TRP A 81 3.852 -5.367 1.550 1.00 0.00 H new ATOM 0 HD1 TRP A 81 4.424 -7.288 3.207 1.00 0.00 H new ATOM 0 HE1 TRP A 81 6.315 -7.805 4.895 1.00 0.00 H new ATOM 0 HE3 TRP A 81 7.486 -3.344 2.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 8.769 -6.643 5.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 9.595 -3.109 3.377 1.00 0.00 H new ATOM 0 HH2 TRP A 81 10.227 -4.740 5.104 1.00 0.00 H new ATOM 1261 N ILE A 82 7.106 -6.830 0.038 1.00 0.00 N ATOM 1262 CA ILE A 82 7.561 -8.196 -0.208 1.00 0.00 C ATOM 1263 C ILE A 82 8.628 -8.603 0.807 1.00 0.00 C ATOM 1264 O ILE A 82 9.796 -8.227 0.684 1.00 0.00 O ATOM 1265 CB ILE A 82 8.125 -8.370 -1.638 1.00 0.00 C ATOM 1266 CG1 ILE A 82 7.142 -7.825 -2.680 1.00 0.00 C ATOM 1267 CG2 ILE A 82 8.427 -9.836 -1.912 1.00 0.00 C ATOM 1268 CD1 ILE A 82 7.675 -7.874 -4.098 1.00 0.00 C ATOM 0 H ILE A 82 7.844 -6.185 0.321 1.00 0.00 H new ATOM 0 HA ILE A 82 6.689 -8.842 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 82 9.052 -7.801 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.216 -8.397 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.894 -6.794 -2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.823 -9.943 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.163 -10.196 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.511 -10.420 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.927 -7.473 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.585 -7.278 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.897 -8.907 -4.368 1.00 0.00 H new ATOM 1280 N GLY A 83 8.217 -9.379 1.809 1.00 0.00 N ATOM 1281 CA GLY A 83 9.144 -9.835 2.833 1.00 0.00 C ATOM 1282 C GLY A 83 10.165 -10.817 2.287 1.00 0.00 C ATOM 1283 O GLY A 83 9.799 -11.900 1.818 1.00 0.00 O ATOM 0 H GLY A 83 7.257 -9.700 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.661 -8.976 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.586 -10.306 3.642 1.00 0.00 H new ATOM 1287 N GLU A 84 11.442 -10.419 2.342 1.00 0.00 N ATOM 1288 CA GLU A 84 12.568 -11.223 1.843 1.00 0.00 C ATOM 1289 C GLU A 84 12.358 -12.726 1.974 1.00 0.00 C ATOM 1290 O GLU A 84 12.729 -13.479 1.073 1.00 0.00 O ATOM 1291 CB GLU A 84 13.849 -10.871 2.584 1.00 0.00 C ATOM 1292 CG GLU A 84 14.542 -9.615 2.076 1.00 0.00 C ATOM 1293 CD GLU A 84 14.848 -8.632 3.190 1.00 0.00 C ATOM 1294 OE1 GLU A 84 15.607 -8.996 4.113 1.00 0.00 O ATOM 1295 OE2 GLU A 84 14.327 -7.498 3.141 1.00 0.00 O ATOM 0 H GLU A 84 11.727 -9.523 2.737 1.00 0.00 H new ATOM 0 HA GLU A 84 12.639 -10.981 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.619 -10.742 3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.541 -11.710 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.470 -9.893 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.910 -9.131 1.331 1.00 0.00 H new ATOM 1302 N ASN A 85 11.782 -13.169 3.092 1.00 0.00 N ATOM 1303 CA ASN A 85 11.553 -14.597 3.319 1.00 0.00 C ATOM 1304 C ASN A 85 10.443 -15.148 2.421 1.00 0.00 C ATOM 1305 O ASN A 85 9.613 -15.950 2.855 1.00 0.00 O ATOM 1306 CB ASN A 85 11.232 -14.850 4.792 1.00 0.00 C ATOM 1307 CG ASN A 85 12.485 -14.964 5.626 1.00 0.00 C ATOM 1308 OD1 ASN A 85 12.788 -16.022 6.176 1.00 0.00 O ATOM 1309 ND2 ASN A 85 13.225 -13.867 5.725 1.00 0.00 N ATOM 0 H ASN A 85 11.467 -12.564 3.851 1.00 0.00 H new ATOM 0 HA ASN A 85 12.469 -15.126 3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.613 -14.038 5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.649 -15.766 4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.084 -13.879 6.275 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.935 -13.012 5.251 1.00 0.00 H new ATOM 1316 N VAL A 86 10.454 -14.728 1.161 1.00 0.00 N ATOM 1317 CA VAL A 86 9.473 -15.188 0.181 1.00 0.00 C ATOM 1318 C VAL A 86 10.031 -16.357 -0.625 1.00 0.00 C ATOM 1319 O VAL A 86 11.180 -16.323 -1.070 1.00 0.00 O ATOM 1320 CB VAL A 86 9.051 -14.066 -0.794 1.00 0.00 C ATOM 1321 CG1 VAL A 86 8.035 -13.138 -0.146 1.00 0.00 C ATOM 1322 CG2 VAL A 86 10.264 -13.287 -1.281 1.00 0.00 C ATOM 0 H VAL A 86 11.136 -14.065 0.791 1.00 0.00 H new ATOM 0 HA VAL A 86 8.594 -15.504 0.743 1.00 0.00 H new ATOM 0 HB VAL A 86 8.579 -14.531 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.754 -12.357 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.150 -13.708 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.472 -12.683 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.942 -12.503 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.774 -12.838 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.946 -13.962 -1.798 1.00 0.00 H new ATOM 1332 N SER A 87 9.215 -17.390 -0.812 1.00 0.00 N ATOM 1333 CA SER A 87 9.635 -18.570 -1.567 1.00 0.00 C ATOM 1334 C SER A 87 9.917 -18.219 -3.026 1.00 0.00 C ATOM 1335 O SER A 87 9.527 -17.153 -3.507 1.00 0.00 O ATOM 1336 CB SER A 87 8.572 -19.669 -1.485 1.00 0.00 C ATOM 1337 OG SER A 87 9.169 -20.953 -1.455 1.00 0.00 O ATOM 0 H SER A 87 8.261 -17.436 -0.453 1.00 0.00 H new ATOM 0 HA SER A 87 10.558 -18.940 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.964 -19.526 -0.591 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.902 -19.596 -2.341 1.00 0.00 H new ATOM 0 HG SER A 87 8.470 -21.638 -1.401 1.00 0.00 H new ATOM 1343 N GLY A 88 10.603 -19.122 -3.725 1.00 0.00 N ATOM 1344 CA GLY A 88 10.935 -18.895 -5.123 1.00 0.00 C ATOM 1345 C GLY A 88 9.719 -18.596 -5.981 1.00 0.00 C ATOM 1346 O GLY A 88 9.748 -17.681 -6.805 1.00 0.00 O ATOM 0 H GLY A 88 10.936 -20.009 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.636 -18.063 -5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.443 -19.775 -5.517 1.00 0.00 H new ATOM 1350 N LEU A 89 8.648 -19.367 -5.789 1.00 0.00 N ATOM 1351 CA LEU A 89 7.418 -19.176 -6.555 1.00 0.00 C ATOM 1352 C LEU A 89 6.756 -17.840 -6.219 1.00 0.00 C ATOM 1353 O LEU A 89 6.123 -17.223 -7.077 1.00 0.00 O ATOM 1354 CB LEU A 89 6.434 -20.320 -6.293 1.00 0.00 C ATOM 1355 CG LEU A 89 5.569 -20.715 -7.493 1.00 0.00 C ATOM 1356 CD1 LEU A 89 6.369 -21.557 -8.473 1.00 0.00 C ATOM 1357 CD2 LEU A 89 4.330 -21.467 -7.033 1.00 0.00 C ATOM 0 H LEU A 89 8.608 -20.128 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 89 7.688 -19.172 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.996 -21.195 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.779 -20.035 -5.470 1.00 0.00 H new ATOM 0 HG LEU A 89 5.251 -19.805 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.738 -21.828 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.226 -20.985 -8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.717 -22.462 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.727 -21.740 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.629 -22.370 -6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.744 -20.831 -6.369 1.00 0.00 H new ATOM 1369 N GLN A 90 6.910 -17.400 -4.970 1.00 0.00 N ATOM 1370 CA GLN A 90 6.335 -16.139 -4.516 1.00 0.00 C ATOM 1371 C GLN A 90 6.864 -14.967 -5.344 1.00 0.00 C ATOM 1372 O GLN A 90 6.111 -14.057 -5.695 1.00 0.00 O ATOM 1373 CB GLN A 90 6.651 -15.931 -3.034 1.00 0.00 C ATOM 1374 CG GLN A 90 6.198 -17.080 -2.141 1.00 0.00 C ATOM 1375 CD GLN A 90 4.691 -17.258 -2.114 1.00 0.00 C ATOM 1376 OE1 GLN A 90 3.939 -16.358 -2.488 1.00 0.00 O ATOM 1377 NE2 GLN A 90 4.241 -18.426 -1.666 1.00 0.00 N ATOM 0 H GLN A 90 7.432 -17.904 -4.253 1.00 0.00 H new ATOM 0 HA GLN A 90 5.254 -16.182 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.726 -15.794 -2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.174 -15.011 -2.696 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.660 -18.004 -2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.555 -16.905 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.899 -19.145 -1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.237 -18.603 -1.623 1.00 0.00 H new ATOM 1386 N ARG A 91 8.162 -15.005 -5.661 1.00 0.00 N ATOM 1387 CA ARG A 91 8.795 -13.954 -6.461 1.00 0.00 C ATOM 1388 C ARG A 91 8.102 -13.810 -7.816 1.00 0.00 C ATOM 1389 O ARG A 91 7.894 -12.698 -8.301 1.00 0.00 O ATOM 1390 CB ARG A 91 10.280 -14.267 -6.667 1.00 0.00 C ATOM 1391 CG ARG A 91 11.094 -13.080 -7.167 1.00 0.00 C ATOM 1392 CD ARG A 91 12.328 -12.845 -6.311 1.00 0.00 C ATOM 1393 NE ARG A 91 13.563 -13.130 -7.043 1.00 0.00 N ATOM 1394 CZ ARG A 91 14.115 -14.341 -7.141 1.00 0.00 C ATOM 1395 NH1 ARG A 91 13.553 -15.392 -6.549 1.00 0.00 N ATOM 1396 NH2 ARG A 91 15.234 -14.503 -7.839 1.00 0.00 N ATOM 0 H ARG A 91 8.794 -15.753 -5.375 1.00 0.00 H new ATOM 0 HA ARG A 91 8.699 -13.012 -5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.703 -14.615 -5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.374 -15.086 -7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.395 -13.254 -8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.472 -12.185 -7.163 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.340 -11.810 -5.968 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.279 -13.475 -5.423 1.00 0.00 H new ATOM 0 HE ARG A 91 14.032 -12.353 -7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.692 -15.276 -6.014 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.983 -16.313 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.669 -13.703 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.658 -15.428 -7.915 1.00 0.00 H new ATOM 1410 N ALA A 92 7.743 -14.943 -8.416 1.00 0.00 N ATOM 1411 CA ALA A 92 7.067 -14.949 -9.709 1.00 0.00 C ATOM 1412 C ALA A 92 5.584 -14.609 -9.550 1.00 0.00 C ATOM 1413 O ALA A 92 5.012 -13.880 -10.368 1.00 0.00 O ATOM 1414 CB ALA A 92 7.241 -16.304 -10.385 1.00 0.00 C ATOM 0 H ALA A 92 7.910 -15.870 -8.025 1.00 0.00 H new ATOM 0 HA ALA A 92 7.520 -14.184 -10.340 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.733 -16.298 -11.349 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.302 -16.502 -10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.813 -17.083 -9.754 1.00 0.00 H new ATOM 1420 N LYS A 93 4.971 -15.134 -8.486 1.00 0.00 N ATOM 1421 CA LYS A 93 3.557 -14.887 -8.206 1.00 0.00 C ATOM 1422 C LYS A 93 3.281 -13.391 -8.057 1.00 0.00 C ATOM 1423 O LYS A 93 2.318 -12.875 -8.626 1.00 0.00 O ATOM 1424 CB LYS A 93 3.130 -15.625 -6.932 1.00 0.00 C ATOM 1425 CG LYS A 93 1.622 -15.794 -6.798 1.00 0.00 C ATOM 1426 CD LYS A 93 1.240 -17.222 -6.429 1.00 0.00 C ATOM 1427 CE LYS A 93 1.325 -18.156 -7.628 1.00 0.00 C ATOM 1428 NZ LYS A 93 0.856 -19.533 -7.300 1.00 0.00 N ATOM 0 H LYS A 93 5.434 -15.734 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 93 2.976 -15.262 -9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.600 -16.609 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.504 -15.081 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.246 -15.110 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.141 -15.521 -7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.899 -17.583 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.226 -17.235 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.725 -17.754 -8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.355 -18.199 -7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.931 -20.136 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.445 -19.928 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.135 -19.497 -6.987 1.00 0.00 H new ATOM 1442 N THR A 94 4.130 -12.703 -7.289 1.00 0.00 N ATOM 1443 CA THR A 94 3.980 -11.263 -7.065 1.00 0.00 C ATOM 1444 C THR A 94 3.907 -10.503 -8.388 1.00 0.00 C ATOM 1445 O THR A 94 3.092 -9.593 -8.539 1.00 0.00 O ATOM 1446 CB THR A 94 5.132 -10.709 -6.213 1.00 0.00 C ATOM 1447 OG1 THR A 94 6.331 -11.433 -6.441 1.00 0.00 O ATOM 1448 CG2 THR A 94 4.844 -10.732 -4.724 1.00 0.00 C ATOM 0 H THR A 94 4.929 -13.120 -6.812 1.00 0.00 H new ATOM 0 HA THR A 94 3.044 -11.118 -6.525 1.00 0.00 H new ATOM 0 HB THR A 94 5.243 -9.671 -6.525 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.428 -11.611 -7.400 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.699 -10.327 -4.182 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.962 -10.127 -4.515 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.664 -11.758 -4.404 1.00 0.00 H new ATOM 1456 N GLY A 95 4.757 -10.881 -9.347 1.00 0.00 N ATOM 1457 CA GLY A 95 4.757 -10.221 -10.643 1.00 0.00 C ATOM 1458 C GLY A 95 3.413 -10.331 -11.343 1.00 0.00 C ATOM 1459 O GLY A 95 2.889 -9.339 -11.854 1.00 0.00 O ATOM 0 H GLY A 95 5.442 -11.630 -9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.012 -9.169 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.530 -10.661 -11.273 1.00 0.00 H new ATOM 1463 N THR A 96 2.848 -11.541 -11.358 1.00 0.00 N ATOM 1464 CA THR A 96 1.550 -11.776 -11.989 1.00 0.00 C ATOM 1465 C THR A 96 0.425 -11.142 -11.171 1.00 0.00 C ATOM 1466 O THR A 96 -0.483 -10.521 -11.727 1.00 0.00 O ATOM 1467 CB THR A 96 1.289 -13.279 -12.155 1.00 0.00 C ATOM 1468 OG1 THR A 96 1.912 -14.021 -11.120 1.00 0.00 O ATOM 1469 CG2 THR A 96 1.783 -13.829 -13.476 1.00 0.00 C ATOM 0 H THR A 96 3.269 -12.371 -10.941 1.00 0.00 H new ATOM 0 HA THR A 96 1.571 -11.312 -12.975 1.00 0.00 H new ATOM 0 HB THR A 96 0.205 -13.386 -12.115 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.848 -13.524 -10.278 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.567 -14.896 -13.529 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.279 -13.316 -14.295 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.859 -13.672 -13.556 1.00 0.00 H new ATOM 1477 N ASP A 97 0.494 -11.303 -9.848 1.00 0.00 N ATOM 1478 CA ASP A 97 -0.515 -10.747 -8.947 1.00 0.00 C ATOM 1479 C ASP A 97 -0.567 -9.221 -9.040 1.00 0.00 C ATOM 1480 O ASP A 97 -1.647 -8.629 -9.006 1.00 0.00 O ATOM 1481 CB ASP A 97 -0.241 -11.187 -7.506 1.00 0.00 C ATOM 1482 CG ASP A 97 -0.991 -12.453 -7.137 1.00 0.00 C ATOM 1483 OD1 ASP A 97 -2.237 -12.403 -7.051 1.00 0.00 O ATOM 1484 OD2 ASP A 97 -0.334 -13.496 -6.936 1.00 0.00 O ATOM 0 H ASP A 97 1.240 -11.815 -9.377 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.487 -11.131 -9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.829 -11.350 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.527 -10.386 -6.824 1.00 0.00 H new ATOM 1489 N LYS A 98 0.601 -8.586 -9.172 1.00 0.00 N ATOM 1490 CA LYS A 98 0.671 -7.129 -9.285 1.00 0.00 C ATOM 1491 C LYS A 98 -0.091 -6.646 -10.521 1.00 0.00 C ATOM 1492 O LYS A 98 -0.646 -5.548 -10.527 1.00 0.00 O ATOM 1493 CB LYS A 98 2.126 -6.655 -9.352 1.00 0.00 C ATOM 1494 CG LYS A 98 2.372 -5.343 -8.620 1.00 0.00 C ATOM 1495 CD LYS A 98 3.612 -4.631 -9.139 1.00 0.00 C ATOM 1496 CE LYS A 98 3.277 -3.677 -10.278 1.00 0.00 C ATOM 1497 NZ LYS A 98 4.004 -2.381 -10.158 1.00 0.00 N ATOM 0 H LYS A 98 1.506 -9.056 -9.203 1.00 0.00 H new ATOM 0 HA LYS A 98 0.207 -6.703 -8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.770 -7.425 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.414 -6.538 -10.397 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.504 -4.694 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.484 -5.537 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.081 -4.077 -8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.338 -5.368 -9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.529 -4.146 -11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.203 -3.490 -10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.219 -2.014 -11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.410 -1.696 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.891 -2.528 -9.635 1.00 0.00 H new ATOM 1511 N THR A 99 -0.123 -7.483 -11.559 1.00 0.00 N ATOM 1512 CA THR A 99 -0.828 -7.156 -12.795 1.00 0.00 C ATOM 1513 C THR A 99 -2.339 -7.207 -12.576 1.00 0.00 C ATOM 1514 O THR A 99 -3.076 -6.341 -13.053 1.00 0.00 O ATOM 1515 CB THR A 99 -0.424 -8.126 -13.911 1.00 0.00 C ATOM 1516 OG1 THR A 99 0.986 -8.214 -14.009 1.00 0.00 O ATOM 1517 CG2 THR A 99 -0.953 -7.734 -15.275 1.00 0.00 C ATOM 0 H THR A 99 0.333 -8.395 -11.566 1.00 0.00 H new ATOM 0 HA THR A 99 -0.552 -6.144 -13.093 1.00 0.00 H new ATOM 0 HB THR A 99 -0.866 -9.083 -13.632 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.339 -8.693 -13.230 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.628 -8.465 -16.015 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.042 -7.704 -15.248 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.570 -6.750 -15.545 1.00 0.00 H new ATOM 1525 N LEU A 100 -2.788 -8.225 -11.840 1.00 0.00 N ATOM 1526 CA LEU A 100 -4.203 -8.401 -11.537 1.00 0.00 C ATOM 1527 C LEU A 100 -4.728 -7.236 -10.703 1.00 0.00 C ATOM 1528 O LEU A 100 -5.743 -6.622 -11.044 1.00 0.00 O ATOM 1529 CB LEU A 100 -4.412 -9.718 -10.787 1.00 0.00 C ATOM 1530 CG LEU A 100 -4.131 -10.981 -11.604 1.00 0.00 C ATOM 1531 CD1 LEU A 100 -3.618 -12.097 -10.707 1.00 0.00 C ATOM 1532 CD2 LEU A 100 -5.382 -11.426 -12.343 1.00 0.00 C ATOM 0 H LEU A 100 -2.184 -8.944 -11.441 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.758 -8.427 -12.475 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.769 -9.723 -9.907 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.441 -9.756 -10.431 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.360 -10.749 -12.338 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.424 -12.986 -11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.695 -11.779 -10.222 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.366 -12.327 -9.949 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.164 -12.325 -12.919 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.173 -11.638 -11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.708 -10.634 -13.017 1.00 0.00 H new ATOM 1544 N VAL A 101 -4.026 -6.930 -9.610 1.00 0.00 N ATOM 1545 CA VAL A 101 -4.415 -5.833 -8.727 1.00 0.00 C ATOM 1546 C VAL A 101 -4.373 -4.487 -9.459 1.00 0.00 C ATOM 1547 O VAL A 101 -5.151 -3.585 -9.150 1.00 0.00 O ATOM 1548 CB VAL A 101 -3.512 -5.774 -7.472 1.00 0.00 C ATOM 1549 CG1 VAL A 101 -2.072 -5.466 -7.852 1.00 0.00 C ATOM 1550 CG2 VAL A 101 -4.037 -4.753 -6.472 1.00 0.00 C ATOM 0 H VAL A 101 -3.185 -7.428 -9.317 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.440 -6.026 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.534 -6.755 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.458 -5.430 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.697 -6.244 -8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.028 -4.503 -8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.385 -4.730 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.057 -3.767 -6.936 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.045 -5.030 -6.165 1.00 0.00 H new ATOM 1560 N LYS A 102 -3.471 -4.364 -10.439 1.00 0.00 N ATOM 1561 CA LYS A 102 -3.347 -3.132 -11.217 1.00 0.00 C ATOM 1562 C LYS A 102 -4.606 -2.888 -12.044 1.00 0.00 C ATOM 1563 O LYS A 102 -5.122 -1.772 -12.086 1.00 0.00 O ATOM 1564 CB LYS A 102 -2.126 -3.197 -12.138 1.00 0.00 C ATOM 1565 CG LYS A 102 -1.634 -1.832 -12.597 1.00 0.00 C ATOM 1566 CD LYS A 102 -0.130 -1.829 -12.826 1.00 0.00 C ATOM 1567 CE LYS A 102 0.613 -1.160 -11.676 1.00 0.00 C ATOM 1568 NZ LYS A 102 1.852 -0.469 -12.134 1.00 0.00 N ATOM 0 H LYS A 102 -2.820 -5.101 -10.710 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.219 -2.305 -10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.316 -3.709 -11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.373 -3.798 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.144 -1.551 -13.519 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.891 -1.081 -11.849 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.223 -2.854 -12.940 1.00 0.00 H new ATOM 0 HD3 LYS A 102 0.096 -1.309 -13.757 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.045 -0.439 -11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.872 -1.909 -10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.658 -0.784 -11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.029 -0.699 -13.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.734 0.559 -12.032 1.00 0.00 H new ATOM 1582 N GLU A 103 -5.094 -3.944 -12.698 1.00 0.00 N ATOM 1583 CA GLU A 103 -6.298 -3.853 -13.521 1.00 0.00 C ATOM 1584 C GLU A 103 -7.496 -3.405 -12.684 1.00 0.00 C ATOM 1585 O GLU A 103 -8.325 -2.619 -13.144 1.00 0.00 O ATOM 1586 CB GLU A 103 -6.593 -5.202 -14.184 1.00 0.00 C ATOM 1587 CG GLU A 103 -7.035 -5.084 -15.635 1.00 0.00 C ATOM 1588 CD GLU A 103 -8.516 -5.350 -15.816 1.00 0.00 C ATOM 1589 OE1 GLU A 103 -8.910 -6.536 -15.829 1.00 0.00 O ATOM 1590 OE2 GLU A 103 -9.283 -4.373 -15.945 1.00 0.00 O ATOM 0 H GLU A 103 -4.672 -4.872 -12.673 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.123 -3.108 -14.298 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.700 -5.825 -14.135 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.370 -5.714 -13.617 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.802 -4.085 -16.002 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.466 -5.788 -16.243 1.00 0.00 H new ATOM 1597 N VAL A 104 -7.574 -3.904 -11.449 1.00 0.00 N ATOM 1598 CA VAL A 104 -8.664 -3.549 -10.540 1.00 0.00 C ATOM 1599 C VAL A 104 -8.434 -2.168 -9.922 1.00 0.00 C ATOM 1600 O VAL A 104 -9.380 -1.404 -9.724 1.00 0.00 O ATOM 1601 CB VAL A 104 -8.823 -4.594 -9.411 1.00 0.00 C ATOM 1602 CG1 VAL A 104 -10.057 -4.300 -8.569 1.00 0.00 C ATOM 1603 CG2 VAL A 104 -8.896 -6.003 -9.985 1.00 0.00 C ATOM 0 H VAL A 104 -6.895 -4.555 -11.056 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.579 -3.531 -11.132 1.00 0.00 H new ATOM 0 HB VAL A 104 -7.945 -4.529 -8.768 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.147 -5.049 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.964 -3.311 -8.120 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.944 -4.330 -9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.008 -6.721 -9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.751 -6.078 -10.656 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.981 -6.219 -10.537 1.00 0.00 H new ATOM 1613 N VAL A 105 -7.172 -1.852 -9.622 1.00 0.00 N ATOM 1614 CA VAL A 105 -6.818 -0.564 -9.029 1.00 0.00 C ATOM 1615 C VAL A 105 -5.674 0.092 -9.802 1.00 0.00 C ATOM 1616 O VAL A 105 -4.507 -0.019 -9.422 1.00 0.00 O ATOM 1617 CB VAL A 105 -6.421 -0.712 -7.543 1.00 0.00 C ATOM 1618 CG1 VAL A 105 -6.239 0.653 -6.894 1.00 0.00 C ATOM 1619 CG2 VAL A 105 -7.461 -1.527 -6.788 1.00 0.00 C ATOM 0 H VAL A 105 -6.378 -2.473 -9.781 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.702 0.071 -9.087 1.00 0.00 H new ATOM 0 HB VAL A 105 -5.469 -1.242 -7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.960 0.524 -5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.454 1.202 -7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.173 1.212 -6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.163 -1.620 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.428 -1.027 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.539 -2.519 -7.232 1.00 0.00 H new ATOM 1629 N GLN A 106 -6.022 0.775 -10.890 1.00 0.00 N ATOM 1630 CA GLN A 106 -5.033 1.453 -11.729 1.00 0.00 C ATOM 1631 C GLN A 106 -5.083 2.968 -11.528 1.00 0.00 C ATOM 1632 O GLN A 106 -4.053 3.641 -11.568 1.00 0.00 O ATOM 1633 CB GLN A 106 -5.259 1.113 -13.207 1.00 0.00 C ATOM 1634 CG GLN A 106 -6.662 1.428 -13.711 1.00 0.00 C ATOM 1635 CD GLN A 106 -7.267 0.294 -14.522 1.00 0.00 C ATOM 1636 OE1 GLN A 106 -8.434 -0.051 -14.347 1.00 0.00 O ATOM 1637 NE2 GLN A 106 -6.477 -0.287 -15.421 1.00 0.00 N ATOM 0 H GLN A 106 -6.984 0.875 -11.213 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.046 1.100 -11.430 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.536 1.663 -13.810 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.060 0.052 -13.359 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.308 1.645 -12.860 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.629 2.329 -14.324 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.514 0.030 -15.534 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.834 -1.049 -15.997 1.00 0.00 H new ATOM 1646 N ASN A 107 -6.289 3.494 -11.315 1.00 0.00 N ATOM 1647 CA ASN A 107 -6.479 4.926 -11.108 1.00 0.00 C ATOM 1648 C ASN A 107 -6.044 5.334 -9.700 1.00 0.00 C ATOM 1649 O ASN A 107 -6.878 5.536 -8.813 1.00 0.00 O ATOM 1650 CB ASN A 107 -7.945 5.310 -11.342 1.00 0.00 C ATOM 1651 CG ASN A 107 -8.241 5.621 -12.796 1.00 0.00 C ATOM 1652 OD1 ASN A 107 -8.056 6.749 -13.251 1.00 0.00 O ATOM 1653 ND2 ASN A 107 -8.708 4.619 -13.535 1.00 0.00 N ATOM 0 H ASN A 107 -7.149 2.947 -11.282 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.857 5.459 -11.827 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.588 4.494 -11.011 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.191 6.178 -10.731 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.928 4.771 -14.519 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.847 3.699 -13.117 1.00 0.00 H new ATOM 1660 N PHE A 108 -4.732 5.452 -9.502 1.00 0.00 N ATOM 1661 CA PHE A 108 -4.177 5.834 -8.206 1.00 0.00 C ATOM 1662 C PHE A 108 -3.273 7.060 -8.341 1.00 0.00 C ATOM 1663 O PHE A 108 -3.087 7.585 -9.442 1.00 0.00 O ATOM 1664 CB PHE A 108 -3.399 4.666 -7.585 1.00 0.00 C ATOM 1665 CG PHE A 108 -2.512 3.934 -8.553 1.00 0.00 C ATOM 1666 CD1 PHE A 108 -1.367 4.530 -9.057 1.00 0.00 C ATOM 1667 CD2 PHE A 108 -2.823 2.645 -8.957 1.00 0.00 C ATOM 1668 CE1 PHE A 108 -0.551 3.856 -9.943 1.00 0.00 C ATOM 1669 CE2 PHE A 108 -2.011 1.966 -9.843 1.00 0.00 C ATOM 1670 CZ PHE A 108 -0.874 2.572 -10.337 1.00 0.00 C ATOM 0 H PHE A 108 -4.032 5.288 -10.226 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.007 6.089 -7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.789 5.045 -6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.108 3.960 -7.154 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -1.110 5.534 -8.753 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.712 2.166 -8.574 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.339 4.332 -10.328 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -2.265 0.962 -10.149 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.237 2.043 -11.031 1.00 0.00 H new ATOM 1680 N ALA A 109 -2.716 7.513 -7.220 1.00 0.00 N ATOM 1681 CA ALA A 109 -1.838 8.679 -7.221 1.00 0.00 C ATOM 1682 C ALA A 109 -0.374 8.277 -7.384 1.00 0.00 C ATOM 1683 O ALA A 109 0.288 8.702 -8.332 1.00 0.00 O ATOM 1684 CB ALA A 109 -2.026 9.487 -5.945 1.00 0.00 C ATOM 0 H ALA A 109 -2.857 7.091 -6.302 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.111 9.299 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.364 10.353 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.061 9.823 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.788 8.865 -5.082 1.00 0.00 H new ATOM 1690 N LYS A 110 0.128 7.465 -6.453 1.00 0.00 N ATOM 1691 CA LYS A 110 1.519 7.019 -6.497 1.00 0.00 C ATOM 1692 C LYS A 110 1.634 5.525 -6.199 1.00 0.00 C ATOM 1693 O LYS A 110 0.777 4.949 -5.528 1.00 0.00 O ATOM 1694 CB LYS A 110 2.361 7.823 -5.504 1.00 0.00 C ATOM 1695 CG LYS A 110 3.527 8.554 -6.151 1.00 0.00 C ATOM 1696 CD LYS A 110 4.839 7.820 -5.922 1.00 0.00 C ATOM 1697 CE LYS A 110 5.777 7.974 -7.108 1.00 0.00 C ATOM 1698 NZ LYS A 110 7.013 7.156 -6.951 1.00 0.00 N ATOM 0 H LYS A 110 -0.406 7.104 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 110 1.896 7.189 -7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.721 8.548 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.745 7.150 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.347 8.654 -7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.597 9.563 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.321 8.205 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.640 6.762 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.260 7.678 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.049 9.023 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.625 7.290 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.521 7.455 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.756 6.152 -6.868 1.00 0.00 H new ATOM 1712 N GLU A 111 2.701 4.909 -6.710 1.00 0.00 N ATOM 1713 CA GLU A 111 2.937 3.480 -6.511 1.00 0.00 C ATOM 1714 C GLU A 111 4.433 3.167 -6.476 1.00 0.00 C ATOM 1715 O GLU A 111 5.198 3.659 -7.308 1.00 0.00 O ATOM 1716 CB GLU A 111 2.272 2.677 -7.633 1.00 0.00 C ATOM 1717 CG GLU A 111 2.715 3.100 -9.029 1.00 0.00 C ATOM 1718 CD GLU A 111 2.596 1.989 -10.056 1.00 0.00 C ATOM 1719 OE1 GLU A 111 2.977 0.838 -9.743 1.00 0.00 O ATOM 1720 OE2 GLU A 111 2.125 2.268 -11.177 1.00 0.00 O ATOM 0 H GLU A 111 3.416 5.379 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 111 2.503 3.198 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.496 1.619 -7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.190 2.786 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.114 3.950 -9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.750 3.439 -8.988 1.00 0.00 H new ATOM 1727 N PHE A 112 4.842 2.335 -5.518 1.00 0.00 N ATOM 1728 CA PHE A 112 6.247 1.945 -5.389 1.00 0.00 C ATOM 1729 C PHE A 112 6.394 0.664 -4.571 1.00 0.00 C ATOM 1730 O PHE A 112 5.502 0.296 -3.805 1.00 0.00 O ATOM 1731 CB PHE A 112 7.079 3.068 -4.762 1.00 0.00 C ATOM 1732 CG PHE A 112 6.448 3.706 -3.555 1.00 0.00 C ATOM 1733 CD1 PHE A 112 5.546 4.747 -3.700 1.00 0.00 C ATOM 1734 CD2 PHE A 112 6.766 3.273 -2.279 1.00 0.00 C ATOM 1735 CE1 PHE A 112 4.973 5.345 -2.595 1.00 0.00 C ATOM 1736 CE2 PHE A 112 6.195 3.866 -1.170 1.00 0.00 C ATOM 1737 CZ PHE A 112 5.297 4.904 -1.328 1.00 0.00 C ATOM 0 H PHE A 112 4.223 1.919 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 112 6.623 1.756 -6.395 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.053 2.668 -4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.256 3.837 -5.514 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.288 5.095 -4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.468 2.463 -2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.272 6.157 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.450 3.518 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.850 5.369 -0.462 1.00 0.00 H new ATOM 1747 N VAL A 113 7.531 -0.005 -4.743 1.00 0.00 N ATOM 1748 CA VAL A 113 7.814 -1.243 -4.033 1.00 0.00 C ATOM 1749 C VAL A 113 8.734 -0.992 -2.842 1.00 0.00 C ATOM 1750 O VAL A 113 9.590 -0.105 -2.883 1.00 0.00 O ATOM 1751 CB VAL A 113 8.467 -2.281 -4.968 1.00 0.00 C ATOM 1752 CG1 VAL A 113 7.419 -2.961 -5.833 1.00 0.00 C ATOM 1753 CG2 VAL A 113 9.542 -1.638 -5.834 1.00 0.00 C ATOM 0 H VAL A 113 8.275 0.295 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 113 6.862 -1.635 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 113 8.943 -3.039 -4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.902 -3.689 -6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.695 -3.468 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 113 6.908 -2.214 -6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.986 -2.393 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.096 -0.852 -6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.315 -1.209 -5.196 1.00 0.00 H new ATOM 1763 N ILE A 114 8.556 -1.778 -1.783 1.00 0.00 N ATOM 1764 CA ILE A 114 9.373 -1.643 -0.581 1.00 0.00 C ATOM 1765 C ILE A 114 9.687 -3.008 0.021 1.00 0.00 C ATOM 1766 O ILE A 114 8.833 -3.897 0.051 1.00 0.00 O ATOM 1767 CB ILE A 114 8.680 -0.763 0.485 1.00 0.00 C ATOM 1768 CG1 ILE A 114 8.306 0.597 -0.107 1.00 0.00 C ATOM 1769 CG2 ILE A 114 9.581 -0.579 1.700 1.00 0.00 C ATOM 1770 CD1 ILE A 114 7.546 1.488 0.852 1.00 0.00 C ATOM 0 H ILE A 114 7.853 -2.515 -1.733 1.00 0.00 H new ATOM 0 HA ILE A 114 10.301 -1.158 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 114 7.769 -1.268 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 114 9.215 1.109 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.702 0.441 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.074 0.043 2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.805 -1.552 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.509 -0.096 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.315 2.435 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.619 0.997 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.156 1.675 1.736 1.00 0.00 H new ATOM 1782 N SER A 115 10.916 -3.162 0.503 1.00 0.00 N ATOM 1783 CA SER A 115 11.355 -4.413 1.113 1.00 0.00 C ATOM 1784 C SER A 115 12.232 -4.143 2.336 1.00 0.00 C ATOM 1785 O SER A 115 13.135 -4.916 2.650 1.00 0.00 O ATOM 1786 CB SER A 115 12.113 -5.265 0.093 1.00 0.00 C ATOM 1787 OG SER A 115 11.292 -5.584 -1.018 1.00 0.00 O ATOM 0 H SER A 115 11.629 -2.433 0.483 1.00 0.00 H new ATOM 0 HA SER A 115 10.472 -4.961 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.998 -4.728 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 115 12.460 -6.183 0.568 1.00 0.00 H new ATOM 0 HG SER A 115 11.801 -6.127 -1.655 1.00 0.00 H new ATOM 1793 N ASP A 116 11.952 -3.036 3.023 1.00 0.00 N ATOM 1794 CA ASP A 116 12.699 -2.653 4.215 1.00 0.00 C ATOM 1795 C ASP A 116 11.783 -1.962 5.220 1.00 0.00 C ATOM 1796 O ASP A 116 10.985 -1.098 4.853 1.00 0.00 O ATOM 1797 CB ASP A 116 13.857 -1.727 3.847 1.00 0.00 C ATOM 1798 CG ASP A 116 14.746 -1.414 5.035 1.00 0.00 C ATOM 1799 OD1 ASP A 116 15.471 -2.322 5.493 1.00 0.00 O ATOM 1800 OD2 ASP A 116 14.709 -0.260 5.511 1.00 0.00 O ATOM 0 H ASP A 116 11.207 -2.386 2.770 1.00 0.00 H new ATOM 0 HA ASP A 116 13.102 -3.558 4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 116 14.454 -2.191 3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.460 -0.798 3.439 1.00 0.00 H new ATOM 1805 N ARG A 117 11.895 -2.353 6.488 1.00 0.00 N ATOM 1806 CA ARG A 117 11.073 -1.782 7.548 1.00 0.00 C ATOM 1807 C ARG A 117 11.305 -0.275 7.704 1.00 0.00 C ATOM 1808 O ARG A 117 10.371 0.466 8.019 1.00 0.00 O ATOM 1809 CB ARG A 117 11.346 -2.504 8.868 1.00 0.00 C ATOM 1810 CG ARG A 117 12.775 -2.365 9.369 1.00 0.00 C ATOM 1811 CD ARG A 117 12.809 -1.896 10.815 1.00 0.00 C ATOM 1812 NE ARG A 117 12.910 -0.440 10.914 1.00 0.00 N ATOM 1813 CZ ARG A 117 14.056 0.236 10.828 1.00 0.00 C ATOM 1814 NH1 ARG A 117 15.204 -0.405 10.623 1.00 0.00 N ATOM 1815 NH2 ARG A 117 14.052 1.559 10.937 1.00 0.00 N ATOM 0 H ARG A 117 12.551 -3.067 6.805 1.00 0.00 H new ATOM 0 HA ARG A 117 10.028 -1.922 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 117 10.667 -2.118 9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 117 11.117 -3.563 8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 117 13.288 -3.323 9.283 1.00 0.00 H new ATOM 0 HG3 ARG A 117 13.316 -1.656 8.742 1.00 0.00 H new ATOM 0 HD2 ARG A 117 11.908 -2.233 11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 117 13.656 -2.354 11.325 1.00 0.00 H new ATOM 0 HE ARG A 117 12.051 0.091 11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 117 15.211 -1.421 10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 117 16.076 0.119 10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.174 2.056 11.086 1.00 0.00 H new ATOM 0 HH22 ARG A 117 14.927 2.079 10.872 1.00 0.00 H new ATOM 1829 N LYS A 118 12.539 0.177 7.475 1.00 0.00 N ATOM 1830 CA LYS A 118 12.857 1.599 7.586 1.00 0.00 C ATOM 1831 C LYS A 118 12.186 2.387 6.460 1.00 0.00 C ATOM 1832 O LYS A 118 11.653 3.475 6.685 1.00 0.00 O ATOM 1833 CB LYS A 118 14.370 1.822 7.563 1.00 0.00 C ATOM 1834 CG LYS A 118 14.791 3.197 8.057 1.00 0.00 C ATOM 1835 CD LYS A 118 16.221 3.520 7.651 1.00 0.00 C ATOM 1836 CE LYS A 118 16.302 3.956 6.195 1.00 0.00 C ATOM 1837 NZ LYS A 118 17.214 3.088 5.398 1.00 0.00 N ATOM 0 H LYS A 118 13.327 -0.416 7.214 1.00 0.00 H new ATOM 0 HA LYS A 118 12.473 1.959 8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.850 1.061 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 118 14.734 1.684 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 118 14.117 3.952 7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 118 14.701 3.238 9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.612 4.311 8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 118 16.851 2.644 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 118 15.305 3.934 5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.650 4.988 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 17.238 3.422 4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.172 3.128 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 16.869 2.107 5.423 1.00 0.00 H new ATOM 1851 N GLU A 119 12.205 1.820 5.253 1.00 0.00 N ATOM 1852 CA GLU A 119 11.586 2.454 4.090 1.00 0.00 C ATOM 1853 C GLU A 119 10.061 2.359 4.171 1.00 0.00 C ATOM 1854 O GLU A 119 9.348 3.254 3.715 1.00 0.00 O ATOM 1855 CB GLU A 119 12.080 1.797 2.800 1.00 0.00 C ATOM 1856 CG GLU A 119 13.583 1.905 2.595 1.00 0.00 C ATOM 1857 CD GLU A 119 13.946 2.360 1.196 1.00 0.00 C ATOM 1858 OE1 GLU A 119 13.906 1.521 0.270 1.00 0.00 O ATOM 1859 OE2 GLU A 119 14.273 3.555 1.025 1.00 0.00 O ATOM 0 H GLU A 119 12.644 0.921 5.056 1.00 0.00 H new ATOM 0 HA GLU A 119 11.871 3.506 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.798 0.744 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.573 2.256 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.996 2.606 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.044 0.937 2.790 1.00 0.00 H new ATOM 1866 N LEU A 120 9.567 1.267 4.759 1.00 0.00 N ATOM 1867 CA LEU A 120 8.130 1.049 4.909 1.00 0.00 C ATOM 1868 C LEU A 120 7.513 2.029 5.913 1.00 0.00 C ATOM 1869 O LEU A 120 6.318 2.316 5.848 1.00 0.00 O ATOM 1870 CB LEU A 120 7.853 -0.393 5.360 1.00 0.00 C ATOM 1871 CG LEU A 120 6.748 -1.124 4.591 1.00 0.00 C ATOM 1872 CD1 LEU A 120 6.422 -2.445 5.269 1.00 0.00 C ATOM 1873 CD2 LEU A 120 5.500 -0.258 4.486 1.00 0.00 C ATOM 0 H LEU A 120 10.145 0.518 5.140 1.00 0.00 H new ATOM 0 HA LEU A 120 7.669 1.222 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.775 -0.967 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.588 -0.380 6.417 1.00 0.00 H new ATOM 0 HG LEU A 120 7.107 -1.327 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.635 -2.955 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 120 7.314 -3.071 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.083 -2.257 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.728 -0.797 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.136 -0.022 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 120 5.741 0.666 3.961 1.00 0.00 H new ATOM 1885 N GLU A 121 8.334 2.535 6.842 1.00 0.00 N ATOM 1886 CA GLU A 121 7.872 3.471 7.857 1.00 0.00 C ATOM 1887 C GLU A 121 7.043 4.595 7.240 1.00 0.00 C ATOM 1888 O GLU A 121 7.408 5.161 6.208 1.00 0.00 O ATOM 1889 CB GLU A 121 9.069 4.047 8.613 1.00 0.00 C ATOM 1890 CG GLU A 121 8.687 4.950 9.771 1.00 0.00 C ATOM 1891 CD GLU A 121 9.057 4.363 11.119 1.00 0.00 C ATOM 1892 OE1 GLU A 121 8.487 3.314 11.486 1.00 0.00 O ATOM 1893 OE2 GLU A 121 9.919 4.951 11.804 1.00 0.00 O ATOM 0 H GLU A 121 9.326 2.306 6.906 1.00 0.00 H new ATOM 0 HA GLU A 121 7.231 2.931 8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.677 3.225 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.690 4.609 7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.180 5.915 9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.613 5.135 9.743 1.00 0.00 H new ATOM 1900 N GLU A 122 5.920 4.901 7.884 1.00 0.00 N ATOM 1901 CA GLU A 122 5.012 5.948 7.414 1.00 0.00 C ATOM 1902 C GLU A 122 5.744 7.261 7.134 1.00 0.00 C ATOM 1903 O GLU A 122 5.374 7.996 6.218 1.00 0.00 O ATOM 1904 CB GLU A 122 3.898 6.183 8.437 1.00 0.00 C ATOM 1905 CG GLU A 122 2.580 6.609 7.812 1.00 0.00 C ATOM 1906 CD GLU A 122 1.980 7.822 8.495 1.00 0.00 C ATOM 1907 OE1 GLU A 122 2.496 8.938 8.279 1.00 0.00 O ATOM 1908 OE2 GLU A 122 1.000 7.652 9.249 1.00 0.00 O ATOM 0 H GLU A 122 5.614 4.436 8.739 1.00 0.00 H new ATOM 0 HA GLU A 122 4.580 5.602 6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 122 3.741 5.268 9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.220 6.948 9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 122 2.737 6.831 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 122 1.873 5.781 7.862 1.00 0.00 H new ATOM 1915 N ASN A 123 6.784 7.549 7.918 1.00 0.00 N ATOM 1916 CA ASN A 123 7.563 8.774 7.738 1.00 0.00 C ATOM 1917 C ASN A 123 8.120 8.844 6.318 1.00 0.00 C ATOM 1918 O ASN A 123 8.157 9.914 5.707 1.00 0.00 O ATOM 1919 CB ASN A 123 8.705 8.839 8.759 1.00 0.00 C ATOM 1920 CG ASN A 123 8.435 9.829 9.878 1.00 0.00 C ATOM 1921 OD1 ASN A 123 9.159 10.811 10.041 1.00 0.00 O ATOM 1922 ND2 ASN A 123 7.389 9.575 10.660 1.00 0.00 N ATOM 0 H ASN A 123 7.105 6.953 8.681 1.00 0.00 H new ATOM 0 HA ASN A 123 6.905 9.628 7.899 1.00 0.00 H new ATOM 0 HB2 ASN A 123 8.862 7.848 9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 123 9.628 9.116 8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 123 7.162 10.206 11.429 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.814 8.750 10.491 1.00 0.00 H new ATOM 1929 N PHE A 124 8.538 7.691 5.800 1.00 0.00 N ATOM 1930 CA PHE A 124 9.083 7.599 4.452 1.00 0.00 C ATOM 1931 C PHE A 124 7.966 7.664 3.412 1.00 0.00 C ATOM 1932 O PHE A 124 8.070 8.391 2.424 1.00 0.00 O ATOM 1933 CB PHE A 124 9.865 6.295 4.297 1.00 0.00 C ATOM 1934 CG PHE A 124 10.631 6.198 3.007 1.00 0.00 C ATOM 1935 CD1 PHE A 124 11.903 6.737 2.897 1.00 0.00 C ATOM 1936 CD2 PHE A 124 10.078 5.567 1.905 1.00 0.00 C ATOM 1937 CE1 PHE A 124 12.608 6.647 1.712 1.00 0.00 C ATOM 1938 CE2 PHE A 124 10.778 5.473 0.718 1.00 0.00 C ATOM 1939 CZ PHE A 124 12.045 6.015 0.621 1.00 0.00 C ATOM 0 H PHE A 124 8.508 6.802 6.300 1.00 0.00 H new ATOM 0 HA PHE A 124 9.753 8.443 4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.561 6.198 5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 124 9.172 5.456 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.348 7.233 3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.087 5.143 1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 124 13.599 7.071 1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 124 10.336 4.977 -0.133 1.00 0.00 H new ATOM 0 HZ PHE A 124 12.594 5.945 -0.306 1.00 0.00 H new ATOM 1949 N ILE A 125 6.900 6.897 3.648 1.00 0.00 N ATOM 1950 CA ILE A 125 5.754 6.857 2.740 1.00 0.00 C ATOM 1951 C ILE A 125 5.112 8.237 2.598 1.00 0.00 C ATOM 1952 O ILE A 125 4.907 8.721 1.485 1.00 0.00 O ATOM 1953 CB ILE A 125 4.683 5.850 3.222 1.00 0.00 C ATOM 1954 CG1 ILE A 125 5.320 4.492 3.552 1.00 0.00 C ATOM 1955 CG2 ILE A 125 3.596 5.688 2.170 1.00 0.00 C ATOM 1956 CD1 ILE A 125 6.124 3.900 2.413 1.00 0.00 C ATOM 0 H ILE A 125 6.807 6.293 4.464 1.00 0.00 H new ATOM 0 HA ILE A 125 6.134 6.535 1.770 1.00 0.00 H new ATOM 0 HB ILE A 125 4.230 6.242 4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.968 4.607 4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.534 3.791 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 125 2.850 4.976 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.120 6.651 1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.038 5.320 1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.542 2.942 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.476 3.751 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.933 4.580 2.147 1.00 0.00 H new ATOM 1968 N LYS A 126 4.803 8.866 3.735 1.00 0.00 N ATOM 1969 CA LYS A 126 4.189 10.193 3.740 1.00 0.00 C ATOM 1970 C LYS A 126 5.094 11.209 3.045 1.00 0.00 C ATOM 1971 O LYS A 126 4.626 12.035 2.258 1.00 0.00 O ATOM 1972 CB LYS A 126 3.893 10.643 5.176 1.00 0.00 C ATOM 1973 CG LYS A 126 2.416 10.895 5.445 1.00 0.00 C ATOM 1974 CD LYS A 126 2.138 12.364 5.725 1.00 0.00 C ATOM 1975 CE LYS A 126 2.321 12.697 7.199 1.00 0.00 C ATOM 1976 NZ LYS A 126 3.654 13.305 7.472 1.00 0.00 N ATOM 0 H LYS A 126 4.969 8.476 4.663 1.00 0.00 H new ATOM 0 HA LYS A 126 3.249 10.135 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.255 9.882 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.452 11.555 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.829 10.571 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 126 2.093 10.295 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.807 12.982 5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 126 1.120 12.607 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 126 1.537 13.385 7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.208 11.790 7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 3.700 13.609 8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.400 12.603 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 3.794 14.127 6.851 1.00 0.00 H new ATOM 1990 N SER A 127 6.394 11.132 3.334 1.00 0.00 N ATOM 1991 CA SER A 127 7.374 12.034 2.733 1.00 0.00 C ATOM 1992 C SER A 127 7.421 11.843 1.217 1.00 0.00 C ATOM 1993 O SER A 127 7.461 12.815 0.462 1.00 0.00 O ATOM 1994 CB SER A 127 8.759 11.786 3.339 1.00 0.00 C ATOM 1995 OG SER A 127 9.701 12.740 2.878 1.00 0.00 O ATOM 0 H SER A 127 6.792 10.452 3.982 1.00 0.00 H new ATOM 0 HA SER A 127 7.074 13.061 2.943 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.696 11.830 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.097 10.783 3.080 1.00 0.00 H new ATOM 0 HG SER A 127 10.575 12.558 3.282 1.00 0.00 H new ATOM 2001 N GLU A 128 7.408 10.579 0.785 1.00 0.00 N ATOM 2002 CA GLU A 128 7.439 10.243 -0.638 1.00 0.00 C ATOM 2003 C GLU A 128 6.248 10.854 -1.373 1.00 0.00 C ATOM 2004 O GLU A 128 6.394 11.378 -2.477 1.00 0.00 O ATOM 2005 CB GLU A 128 7.439 8.721 -0.817 1.00 0.00 C ATOM 2006 CG GLU A 128 7.600 8.273 -2.259 1.00 0.00 C ATOM 2007 CD GLU A 128 8.999 8.511 -2.790 1.00 0.00 C ATOM 2008 OE1 GLU A 128 9.913 7.745 -2.419 1.00 0.00 O ATOM 2009 OE2 GLU A 128 9.181 9.465 -3.576 1.00 0.00 O ATOM 0 H GLU A 128 7.376 9.769 1.405 1.00 0.00 H new ATOM 0 HA GLU A 128 8.352 10.657 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 128 8.246 8.295 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.506 8.318 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 128 7.362 7.212 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.883 8.806 -2.883 1.00 0.00 H new ATOM 2016 N LEU A 129 5.068 10.780 -0.755 1.00 0.00 N ATOM 2017 CA LEU A 129 3.847 11.323 -1.350 1.00 0.00 C ATOM 2018 C LEU A 129 3.927 12.842 -1.502 1.00 0.00 C ATOM 2019 O LEU A 129 3.532 13.390 -2.533 1.00 0.00 O ATOM 2020 CB LEU A 129 2.629 10.949 -0.503 1.00 0.00 C ATOM 2021 CG LEU A 129 1.364 10.624 -1.297 1.00 0.00 C ATOM 2022 CD1 LEU A 129 1.425 9.206 -1.839 1.00 0.00 C ATOM 2023 CD2 LEU A 129 0.128 10.813 -0.432 1.00 0.00 C ATOM 0 H LEU A 129 4.933 10.348 0.159 1.00 0.00 H new ATOM 0 HA LEU A 129 3.742 10.887 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.885 10.087 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.411 11.773 0.177 1.00 0.00 H new ATOM 0 HG LEU A 129 1.301 11.312 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 129 0.516 8.992 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.290 9.104 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.513 8.503 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.763 10.577 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.183 10.150 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.076 11.847 -0.093 1.00 0.00 H new ATOM 2035 N LYS A 130 4.435 13.516 -0.470 1.00 0.00 N ATOM 2036 CA LYS A 130 4.562 14.972 -0.488 1.00 0.00 C ATOM 2037 C LYS A 130 5.533 15.430 -1.575 1.00 0.00 C ATOM 2038 O LYS A 130 5.238 16.359 -2.328 1.00 0.00 O ATOM 2039 CB LYS A 130 5.031 15.481 0.875 1.00 0.00 C ATOM 2040 CG LYS A 130 5.141 16.995 0.953 1.00 0.00 C ATOM 2041 CD LYS A 130 5.688 17.443 2.296 1.00 0.00 C ATOM 2042 CE LYS A 130 5.980 18.936 2.309 1.00 0.00 C ATOM 2043 NZ LYS A 130 4.817 19.731 2.798 1.00 0.00 N ATOM 0 H LYS A 130 4.765 13.076 0.389 1.00 0.00 H new ATOM 0 HA LYS A 130 3.580 15.389 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 130 4.337 15.135 1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 130 6.002 15.042 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 130 5.791 17.355 0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.160 17.441 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.970 17.205 3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.600 16.891 2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.844 19.130 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.244 19.262 1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 5.060 20.742 2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 3.999 19.567 2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 4.580 19.439 3.768 1.00 0.00 H new ATOM 2057 N LYS A 131 6.692 14.779 -1.647 1.00 0.00 N ATOM 2058 CA LYS A 131 7.706 15.130 -2.639 1.00 0.00 C ATOM 2059 C LYS A 131 7.295 14.666 -4.035 1.00 0.00 C ATOM 2060 O LYS A 131 7.318 15.451 -4.984 1.00 0.00 O ATOM 2061 CB LYS A 131 9.061 14.528 -2.256 1.00 0.00 C ATOM 2062 CG LYS A 131 9.911 15.460 -1.405 1.00 0.00 C ATOM 2063 CD LYS A 131 11.353 14.987 -1.320 1.00 0.00 C ATOM 2064 CE LYS A 131 11.611 14.202 -0.043 1.00 0.00 C ATOM 2065 NZ LYS A 131 11.323 12.751 -0.214 1.00 0.00 N ATOM 0 H LYS A 131 6.952 14.008 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 131 7.797 16.216 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.897 13.598 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.609 14.275 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.882 16.465 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.489 15.523 -0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 131 11.583 14.363 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 131 12.021 15.847 -1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.650 14.332 0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.993 14.602 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.591 12.240 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.307 12.618 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.869 12.381 -1.018 1.00 0.00 H new ATOM 2079 N ALA A 132 6.919 13.390 -4.151 1.00 0.00 N ATOM 2080 CA ALA A 132 6.500 12.818 -5.430 1.00 0.00 C ATOM 2081 C ALA A 132 7.564 13.031 -6.510 1.00 0.00 C ATOM 2082 O ALA A 132 7.244 13.351 -7.657 1.00 0.00 O ATOM 2083 CB ALA A 132 5.166 13.417 -5.864 1.00 0.00 C ATOM 0 H ALA A 132 6.897 12.733 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 132 6.375 11.743 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 132 4.865 12.983 -6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.408 13.200 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 132 5.270 14.496 -5.974 1.00 0.00 H new ATOM 2089 N GLY A 133 8.831 12.853 -6.134 1.00 0.00 N ATOM 2090 CA GLY A 133 9.924 13.031 -7.077 1.00 0.00 C ATOM 2091 C GLY A 133 10.134 14.485 -7.456 1.00 0.00 C ATOM 2092 O GLY A 133 10.333 14.800 -8.630 1.00 0.00 O ATOM 0 H GLY A 133 9.119 12.588 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.842 12.636 -6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 133 9.721 12.450 -7.977 1.00 0.00 H new ATOM 2096 N GLY A 134 10.093 15.373 -6.462 1.00 0.00 N ATOM 2097 CA GLY A 134 10.285 16.788 -6.718 1.00 0.00 C ATOM 2098 C GLY A 134 11.751 17.168 -6.785 1.00 0.00 C ATOM 2099 O GLY A 134 12.610 16.454 -6.264 1.00 0.00 O ATOM 0 H GLY A 134 9.930 15.134 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 134 9.800 17.054 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 134 9.798 17.366 -5.933 1.00 0.00 H new ATOM 2103 N ALA A 135 12.039 18.298 -7.424 1.00 0.00 N ATOM 2104 CA ALA A 135 13.411 18.775 -7.554 1.00 0.00 C ATOM 2105 C ALA A 135 13.696 19.915 -6.573 1.00 0.00 C ATOM 2106 O ALA A 135 14.575 20.745 -6.816 1.00 0.00 O ATOM 2107 CB ALA A 135 13.673 19.218 -8.987 1.00 0.00 C ATOM 0 H ALA A 135 11.340 18.900 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 135 14.086 17.954 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 135 14.700 19.573 -9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 135 13.520 18.376 -9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.987 20.023 -9.250 1.00 0.00 H new ATOM 2113 N ASN A 136 12.950 19.946 -5.460 1.00 0.00 N ATOM 2114 CA ASN A 136 13.121 20.980 -4.440 1.00 0.00 C ATOM 2115 C ASN A 136 13.097 22.375 -5.066 1.00 0.00 C ATOM 2116 O ASN A 136 13.955 23.212 -4.780 1.00 0.00 O ATOM 2117 CB ASN A 136 14.430 20.758 -3.679 1.00 0.00 C ATOM 2118 CG ASN A 136 14.404 19.492 -2.843 1.00 0.00 C ATOM 2119 OD1 ASN A 136 14.168 19.539 -1.637 1.00 0.00 O ATOM 2120 ND2 ASN A 136 14.644 18.350 -3.480 1.00 0.00 N ATOM 0 H ASN A 136 12.222 19.264 -5.247 1.00 0.00 H new ATOM 0 HA ASN A 136 12.289 20.911 -3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 136 15.255 20.705 -4.389 1.00 0.00 H new ATOM 0 HB3 ASN A 136 14.621 21.614 -3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 136 14.637 17.469 -2.967 1.00 0.00 H new ATOM 0 HD22 ASN A 136 14.835 18.355 -4.482 1.00 0.00 H new ATOM 2127 N TYR A 137 12.110 22.613 -5.932 1.00 0.00 N ATOM 2128 CA TYR A 137 11.974 23.898 -6.612 1.00 0.00 C ATOM 2129 C TYR A 137 11.782 25.041 -5.617 1.00 0.00 C ATOM 2130 O TYR A 137 12.544 26.008 -5.622 1.00 0.00 O ATOM 2131 CB TYR A 137 10.803 23.864 -7.599 1.00 0.00 C ATOM 2132 CG TYR A 137 10.999 24.775 -8.789 1.00 0.00 C ATOM 2133 CD1 TYR A 137 10.804 26.145 -8.676 1.00 0.00 C ATOM 2134 CD2 TYR A 137 11.387 24.266 -10.023 1.00 0.00 C ATOM 2135 CE1 TYR A 137 10.991 26.984 -9.758 1.00 0.00 C ATOM 2136 CE2 TYR A 137 11.573 25.099 -11.110 1.00 0.00 C ATOM 2137 CZ TYR A 137 11.375 26.455 -10.972 1.00 0.00 C ATOM 2138 OH TYR A 137 11.564 27.289 -12.050 1.00 0.00 O ATOM 0 H TYR A 137 11.393 21.930 -6.178 1.00 0.00 H new ATOM 0 HA TYR A 137 12.899 24.077 -7.161 1.00 0.00 H new ATOM 0 HB2 TYR A 137 10.663 22.842 -7.951 1.00 0.00 H new ATOM 0 HB3 TYR A 137 9.889 24.149 -7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 137 10.501 26.562 -7.727 1.00 0.00 H new ATOM 0 HD2 TYR A 137 11.546 23.203 -10.134 1.00 0.00 H new ATOM 0 HE1 TYR A 137 10.837 28.048 -9.653 1.00 0.00 H new ATOM 0 HE2 TYR A 137 11.872 24.689 -12.063 1.00 0.00 H new ATOM 0 HH TYR A 137 11.834 26.760 -12.830 1.00 0.00 H new ATOM 2148 N ASP A 138 10.761 24.926 -4.766 1.00 0.00 N ATOM 2149 CA ASP A 138 10.479 25.958 -3.772 1.00 0.00 C ATOM 2150 C ASP A 138 11.293 25.737 -2.501 1.00 0.00 C ATOM 2151 O ASP A 138 11.763 24.628 -2.234 1.00 0.00 O ATOM 2152 CB ASP A 138 8.985 25.994 -3.434 1.00 0.00 C ATOM 2153 CG ASP A 138 8.498 27.395 -3.108 1.00 0.00 C ATOM 2154 OD1 ASP A 138 8.812 27.894 -2.006 1.00 0.00 O ATOM 2155 OD2 ASP A 138 7.804 27.994 -3.956 1.00 0.00 O ATOM 0 H ASP A 138 10.120 24.133 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 138 10.766 26.917 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 138 8.415 25.601 -4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 138 8.792 25.338 -2.585 1.00 0.00 H new ATOM 2160 N ALA A 139 11.447 26.803 -1.720 1.00 0.00 N ATOM 2161 CA ALA A 139 12.197 26.745 -0.469 1.00 0.00 C ATOM 2162 C ALA A 139 12.040 28.040 0.323 1.00 0.00 C ATOM 2163 O ALA A 139 11.511 28.036 1.435 1.00 0.00 O ATOM 2164 CB ALA A 139 13.668 26.463 -0.745 1.00 0.00 C ATOM 0 H ALA A 139 11.060 27.722 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 139 11.793 25.931 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 139 14.214 26.423 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 139 13.765 25.508 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 139 14.080 27.256 -1.369 1.00 0.00 H new ATOM 2170 N GLN A 140 12.504 29.147 -0.260 1.00 0.00 N ATOM 2171 CA GLN A 140 12.418 30.455 0.389 1.00 0.00 C ATOM 2172 C GLN A 140 11.486 31.402 -0.368 1.00 0.00 C ATOM 2173 O GLN A 140 11.521 32.618 -0.164 1.00 0.00 O ATOM 2174 CB GLN A 140 13.805 31.077 0.483 1.00 0.00 C ATOM 2175 CG GLN A 140 14.728 30.381 1.472 1.00 0.00 C ATOM 2176 CD GLN A 140 15.922 29.730 0.798 1.00 0.00 C ATOM 2177 OE1 GLN A 140 16.700 30.392 0.112 1.00 0.00 O ATOM 2178 NE2 GLN A 140 16.074 28.423 0.990 1.00 0.00 N ATOM 0 H GLN A 140 12.943 29.163 -1.181 1.00 0.00 H new ATOM 0 HA GLN A 140 12.008 30.303 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 140 14.267 31.060 -0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 140 13.704 32.124 0.770 1.00 0.00 H new ATOM 0 HG2 GLN A 140 15.080 31.106 2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 140 14.165 29.623 2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 140 15.406 27.911 1.566 1.00 0.00 H new ATOM 0 HE22 GLN A 140 16.859 27.932 0.561 1.00 0.00 H new ATOM 2187 N THR A 141 10.654 30.841 -1.235 1.00 0.00 N ATOM 2188 CA THR A 141 9.710 31.633 -2.022 1.00 0.00 C ATOM 2189 C THR A 141 8.375 31.776 -1.290 1.00 0.00 C ATOM 2190 O THR A 141 7.318 31.432 -1.825 1.00 0.00 O ATOM 2191 CB THR A 141 9.495 30.994 -3.401 1.00 0.00 C ATOM 2192 OG1 THR A 141 10.709 30.473 -3.916 1.00 0.00 O ATOM 2193 CG2 THR A 141 8.935 31.958 -4.429 1.00 0.00 C ATOM 0 H THR A 141 10.611 29.838 -1.414 1.00 0.00 H new ATOM 0 HA THR A 141 10.133 32.628 -2.158 1.00 0.00 H new ATOM 0 HB THR A 141 8.767 30.200 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 141 10.546 30.070 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 141 8.808 31.442 -5.380 1.00 0.00 H new ATOM 0 HG22 THR A 141 7.970 32.334 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 141 9.624 32.793 -4.558 1.00 0.00 H new ATOM 2201 N GLU A 142 8.429 32.291 -0.063 1.00 0.00 N ATOM 2202 CA GLU A 142 7.228 32.485 0.747 1.00 0.00 C ATOM 2203 C GLU A 142 7.333 33.758 1.582 1.00 0.00 C ATOM 2204 O GLU A 142 6.346 34.523 1.618 1.00 0.00 O ATOM 2205 CB GLU A 142 7.003 31.278 1.660 1.00 0.00 C ATOM 2206 CG GLU A 142 6.310 30.117 0.970 1.00 0.00 C ATOM 2207 CD GLU A 142 6.507 28.802 1.698 1.00 0.00 C ATOM 2208 OE1 GLU A 142 5.893 28.620 2.770 1.00 0.00 O ATOM 2209 OE2 GLU A 142 7.277 27.956 1.196 1.00 0.00 O ATOM 0 H GLU A 142 9.294 32.582 0.393 1.00 0.00 H new ATOM 0 HA GLU A 142 6.378 32.585 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 142 7.965 30.940 2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 142 6.407 31.588 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 142 5.244 30.329 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 142 6.690 30.025 -0.047 1.00 0.00 H new TER 2216 GLU A 142