USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 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 9 TYR OH : rot 180:sc= 0.173 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 151:sc= 0.188 (180deg=-0.0446) USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0412) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0311 (180deg=-0.405) USER MOD Single : A 2 ASN : amide:sc= -0.0362 K(o=-0.036,f=-1.9!) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.105 F(o=-0.62,f=-0.11) USER MOD Single : A 6 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.219 K(o=-0.22,f=-0.98) USER MOD Single : A 16 GLN : amide:sc= -7.53! C(o=-7.5!,f=-9.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.769 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 175:sc= 0.368 USER MOD Single : A 59 SER OG : rot -42:sc= 0.869 USER MOD Single : A 62 CYS SG : rot -111:sc= -0.643 USER MOD Single : A 64 LYS NZ :NH3+ -111:sc= -2.22! (180deg=-3.17!) USER MOD Single : A 69 SER OG : rot 82:sc= 0.478 USER MOD Single : A 70 HIS :FLIP no HE2:sc= -4.32! C(o=-5.9!,f=-4.3!) USER MOD Single : A 74 HIS : no HD1:sc= -0.73 X(o=-0.73,f=-0.47) USER MOD Single : A 76 GLN : amide:sc= -3.31! C(o=-3.3!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.280 4.821 -14.404 1.00 0.00 N ATOM 2 CA MET A 1 3.626 3.461 -14.907 1.00 0.00 C ATOM 3 C MET A 1 4.407 2.698 -13.833 1.00 0.00 C ATOM 4 O MET A 1 4.961 3.284 -12.924 1.00 0.00 O ATOM 5 CB MET A 1 4.488 3.589 -16.164 1.00 0.00 C ATOM 6 CG MET A 1 3.649 4.165 -17.307 1.00 0.00 C ATOM 7 SD MET A 1 4.694 4.401 -18.767 1.00 0.00 S ATOM 8 CE MET A 1 4.618 2.703 -19.388 1.00 0.00 C ATOM 0 H1 MET A 1 2.253 4.966 -14.475 1.00 0.00 H new ATOM 0 H2 MET A 1 3.574 4.909 -13.410 1.00 0.00 H new ATOM 0 H3 MET A 1 3.771 5.538 -14.975 1.00 0.00 H new ATOM 0 HA MET A 1 2.710 2.919 -15.143 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.343 4.235 -15.966 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.884 2.613 -16.446 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.825 3.491 -17.542 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.208 5.115 -17.005 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.101 2.651 -20.364 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.131 2.038 -18.693 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.576 2.396 -19.482 1.00 0.00 H new ATOM 20 N ASN A 2 4.454 1.393 -13.939 1.00 0.00 N ATOM 21 CA ASN A 2 5.198 0.566 -12.936 1.00 0.00 C ATOM 22 C ASN A 2 4.966 1.100 -11.520 1.00 0.00 C ATOM 23 O ASN A 2 4.011 0.739 -10.859 1.00 0.00 O ATOM 24 CB ASN A 2 6.697 0.607 -13.252 1.00 0.00 C ATOM 25 CG ASN A 2 6.978 -0.214 -14.513 1.00 0.00 C ATOM 26 OD1 ASN A 2 6.171 -1.030 -14.913 1.00 0.00 O ATOM 27 ND2 ASN A 2 8.097 -0.032 -15.158 1.00 0.00 N ATOM 0 H ASN A 2 4.005 0.860 -14.684 1.00 0.00 H new ATOM 0 HA ASN A 2 4.833 -0.460 -12.990 1.00 0.00 H new ATOM 0 HB2 ASN A 2 7.020 1.638 -13.397 1.00 0.00 H new ATOM 0 HB3 ASN A 2 7.267 0.209 -12.412 1.00 0.00 H new ATOM 0 HD21 ASN A 2 8.295 -0.575 -15.999 1.00 0.00 H new ATOM 0 HD22 ASN A 2 8.774 0.653 -14.822 1.00 0.00 H new ATOM 34 N VAL A 3 5.843 1.954 -11.050 1.00 0.00 N ATOM 35 CA VAL A 3 5.705 2.523 -9.672 1.00 0.00 C ATOM 36 C VAL A 3 5.374 4.013 -9.766 1.00 0.00 C ATOM 37 O VAL A 3 6.008 4.759 -10.487 1.00 0.00 O ATOM 38 CB VAL A 3 7.022 2.335 -8.911 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.280 0.840 -8.718 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.183 2.951 -9.702 1.00 0.00 C ATOM 0 H VAL A 3 6.657 2.285 -11.568 1.00 0.00 H new ATOM 0 HA VAL A 3 4.903 2.008 -9.143 1.00 0.00 H new ATOM 0 HB VAL A 3 6.950 2.830 -7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.216 0.699 -8.177 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.462 0.400 -8.148 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.347 0.354 -9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.113 2.811 -9.151 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.260 2.464 -10.674 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.002 4.016 -9.844 1.00 0.00 H new ATOM 50 N ALA A 4 4.376 4.450 -9.040 1.00 0.00 N ATOM 51 CA ALA A 4 3.988 5.890 -9.079 1.00 0.00 C ATOM 52 C ALA A 4 4.732 6.643 -7.974 1.00 0.00 C ATOM 53 O ALA A 4 5.196 6.055 -7.017 1.00 0.00 O ATOM 54 CB ALA A 4 2.479 6.008 -8.855 1.00 0.00 C ATOM 0 H ALA A 4 3.812 3.868 -8.420 1.00 0.00 H new ATOM 0 HA ALA A 4 4.248 6.319 -10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.188 7.058 -8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.951 5.465 -9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.221 5.585 -7.884 1.00 0.00 H new ATOM 60 N HIS A 5 4.850 7.943 -8.102 1.00 0.00 N ATOM 61 CA HIS A 5 5.568 8.754 -7.067 1.00 0.00 C ATOM 62 C HIS A 5 4.562 9.606 -6.297 1.00 0.00 C ATOM 63 O HIS A 5 3.598 10.099 -6.849 1.00 0.00 O ATOM 64 CB HIS A 5 6.576 9.667 -7.764 1.00 0.00 C ATOM 65 CG HIS A 5 7.654 8.830 -8.395 1.00 0.00 C ATOM 66 ND1 HIS A 5 7.938 7.487 -8.324 1.00 0.00 N flip ATOM 67 CD2 HIS A 5 8.616 9.374 -9.232 1.00 0.00 C flip ATOM 68 CE1 HIS A 5 9.056 7.203 -9.101 1.00 0.00 C flip ATOM 69 NE2 HIS A 5 9.424 8.374 -9.625 1.00 0.00 N flip ATOM 0 H HIS A 5 4.477 8.481 -8.884 1.00 0.00 H new ATOM 0 HA HIS A 5 6.085 8.091 -6.373 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.075 10.268 -8.523 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.013 10.361 -7.046 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.701 10.412 -9.517 1.00 0.00 H new ATOM 0 HE1 HIS A 5 9.525 6.242 -9.249 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.222 8.496 -10.248 1.00 0.00 H new ATOM 77 N TYR A 6 4.776 9.781 -5.019 1.00 0.00 N ATOM 78 CA TYR A 6 3.832 10.600 -4.209 1.00 0.00 C ATOM 79 C TYR A 6 4.581 11.208 -3.020 1.00 0.00 C ATOM 80 O TYR A 6 5.198 10.510 -2.241 1.00 0.00 O ATOM 81 CB TYR A 6 2.692 9.708 -3.712 1.00 0.00 C ATOM 82 CG TYR A 6 1.682 10.548 -2.970 1.00 0.00 C ATOM 83 CD1 TYR A 6 0.817 11.390 -3.680 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.612 10.492 -1.573 1.00 0.00 C ATOM 85 CE1 TYR A 6 -0.118 12.173 -2.996 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.677 11.276 -0.887 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.188 12.117 -1.599 1.00 0.00 C ATOM 88 OH TYR A 6 -1.109 12.891 -0.922 1.00 0.00 O ATOM 0 H TYR A 6 5.565 9.391 -4.503 1.00 0.00 H new ATOM 0 HA TYR A 6 3.419 11.404 -4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.215 9.206 -4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.084 8.929 -3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.872 11.435 -4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.279 9.844 -1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.786 12.820 -3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.623 11.233 0.191 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.898 13.029 -1.487 1.00 0.00 H new ATOM 98 N ARG A 7 4.537 12.507 -2.882 1.00 0.00 N ATOM 99 CA ARG A 7 5.252 13.166 -1.751 1.00 0.00 C ATOM 100 C ARG A 7 6.725 12.733 -1.750 1.00 0.00 C ATOM 101 O ARG A 7 7.388 12.755 -0.733 1.00 0.00 O ATOM 102 CB ARG A 7 4.590 12.767 -0.422 1.00 0.00 C ATOM 103 CG ARG A 7 3.125 13.233 -0.392 1.00 0.00 C ATOM 104 CD ARG A 7 3.046 14.716 -0.010 1.00 0.00 C ATOM 105 NE ARG A 7 3.672 14.917 1.324 1.00 0.00 N ATOM 106 CZ ARG A 7 3.883 16.124 1.774 1.00 0.00 C ATOM 107 NH1 ARG A 7 3.560 17.159 1.047 1.00 0.00 N ATOM 108 NH2 ARG A 7 4.417 16.295 2.952 1.00 0.00 N ATOM 0 H ARG A 7 4.036 13.140 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 7 5.198 14.248 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.637 11.685 -0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.136 13.210 0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.667 13.077 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.561 12.635 0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.556 15.323 -0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.006 15.042 0.011 1.00 0.00 H new ATOM 0 HE ARG A 7 3.937 14.110 1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.142 17.025 0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.725 18.102 1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.669 15.486 3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.583 17.238 3.305 1.00 0.00 H new ATOM 122 N GLY A 8 7.245 12.362 -2.893 1.00 0.00 N ATOM 123 CA GLY A 8 8.680 11.949 -2.971 1.00 0.00 C ATOM 124 C GLY A 8 8.828 10.468 -2.615 1.00 0.00 C ATOM 125 O GLY A 8 9.921 9.936 -2.582 1.00 0.00 O ATOM 0 H GLY A 8 6.737 12.327 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.063 12.128 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.277 12.555 -2.290 1.00 0.00 H new ATOM 129 N TYR A 9 7.735 9.796 -2.353 1.00 0.00 N ATOM 130 CA TYR A 9 7.798 8.344 -2.000 1.00 0.00 C ATOM 131 C TYR A 9 7.309 7.510 -3.180 1.00 0.00 C ATOM 132 O TYR A 9 6.366 7.866 -3.859 1.00 0.00 O ATOM 133 CB TYR A 9 6.911 8.082 -0.782 1.00 0.00 C ATOM 134 CG TYR A 9 7.544 8.722 0.428 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.321 10.076 0.700 1.00 0.00 C ATOM 136 CD2 TYR A 9 8.360 7.963 1.273 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.915 10.672 1.817 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.955 8.558 2.391 1.00 0.00 C ATOM 139 CZ TYR A 9 8.731 9.913 2.664 1.00 0.00 C ATOM 140 OH TYR A 9 9.319 10.501 3.765 1.00 0.00 O ATOM 0 H TYR A 9 6.796 10.193 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 9 8.827 8.068 -1.767 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.914 8.490 -0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.794 7.010 -0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.690 10.661 0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.531 6.918 1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.744 11.718 2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.587 7.973 3.043 1.00 0.00 H new ATOM 0 HH TYR A 9 9.852 9.834 4.246 1.00 0.00 H new ATOM 150 N GLU A 10 7.949 6.402 -3.430 1.00 0.00 N ATOM 151 CA GLU A 10 7.533 5.536 -4.566 1.00 0.00 C ATOM 152 C GLU A 10 6.413 4.602 -4.109 1.00 0.00 C ATOM 153 O GLU A 10 6.353 4.209 -2.960 1.00 0.00 O ATOM 154 CB GLU A 10 8.729 4.708 -5.028 1.00 0.00 C ATOM 155 CG GLU A 10 9.768 5.630 -5.665 1.00 0.00 C ATOM 156 CD GLU A 10 11.009 4.819 -6.039 1.00 0.00 C ATOM 157 OE1 GLU A 10 10.983 3.615 -5.850 1.00 0.00 O ATOM 158 OE2 GLU A 10 11.963 5.418 -6.507 1.00 0.00 O ATOM 0 H GLU A 10 8.746 6.058 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 10 7.175 6.155 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.167 4.178 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.408 3.953 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.351 6.107 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.037 6.427 -4.971 1.00 0.00 H new ATOM 165 N ILE A 11 5.530 4.247 -5.007 1.00 0.00 N ATOM 166 CA ILE A 11 4.398 3.334 -4.659 1.00 0.00 C ATOM 167 C ILE A 11 4.414 2.136 -5.602 1.00 0.00 C ATOM 168 O ILE A 11 4.484 2.290 -6.807 1.00 0.00 O ATOM 169 CB ILE A 11 3.077 4.084 -4.820 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.020 5.223 -3.799 1.00 0.00 C ATOM 171 CG2 ILE A 11 1.905 3.125 -4.592 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.837 6.140 -4.113 1.00 0.00 C ATOM 0 H ILE A 11 5.545 4.555 -5.979 1.00 0.00 H new ATOM 0 HA ILE A 11 4.503 2.994 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 11 3.009 4.492 -5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.920 4.817 -2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.949 5.792 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.965 3.665 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.951 2.315 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.964 2.711 -3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.800 6.949 -3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.956 6.558 -5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.911 5.568 -4.067 1.00 0.00 H new ATOM 184 N GLU A 12 4.347 0.940 -5.065 1.00 0.00 N ATOM 185 CA GLU A 12 4.354 -0.288 -5.922 1.00 0.00 C ATOM 186 C GLU A 12 2.998 -1.008 -5.775 1.00 0.00 C ATOM 187 O GLU A 12 2.683 -1.493 -4.705 1.00 0.00 O ATOM 188 CB GLU A 12 5.474 -1.221 -5.455 1.00 0.00 C ATOM 189 CG GLU A 12 5.712 -2.290 -6.523 1.00 0.00 C ATOM 190 CD GLU A 12 6.766 -3.284 -6.036 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.541 -2.918 -5.168 1.00 0.00 O ATOM 192 OE2 GLU A 12 6.784 -4.393 -6.543 1.00 0.00 O ATOM 0 H GLU A 12 4.287 0.762 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 12 4.517 -0.013 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.388 -0.653 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.204 -1.689 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.780 -2.812 -6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.041 -1.823 -7.451 1.00 0.00 H new ATOM 199 N PRO A 13 2.181 -1.069 -6.817 1.00 0.00 N ATOM 200 CA PRO A 13 0.844 -1.735 -6.733 1.00 0.00 C ATOM 201 C PRO A 13 0.944 -3.268 -6.694 1.00 0.00 C ATOM 202 O PRO A 13 1.922 -3.848 -7.122 1.00 0.00 O ATOM 203 CB PRO A 13 0.112 -1.249 -7.994 1.00 0.00 C ATOM 204 CG PRO A 13 1.193 -0.955 -8.988 1.00 0.00 C ATOM 205 CD PRO A 13 2.431 -0.537 -8.179 1.00 0.00 C ATOM 0 HA PRO A 13 0.322 -1.479 -5.811 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.572 -2.010 -8.370 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.483 -0.360 -7.786 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.407 -1.832 -9.598 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.888 -0.160 -9.668 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.343 -0.953 -8.606 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.550 0.546 -8.166 1.00 0.00 H new ATOM 213 N GLY A 14 -0.066 -3.923 -6.177 1.00 0.00 N ATOM 214 CA GLY A 14 -0.037 -5.415 -6.102 1.00 0.00 C ATOM 215 C GLY A 14 -1.185 -5.910 -5.216 1.00 0.00 C ATOM 216 O GLY A 14 -2.119 -5.186 -4.931 1.00 0.00 O ATOM 0 H GLY A 14 -0.910 -3.488 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.127 -5.841 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.918 -5.750 -5.697 1.00 0.00 H new ATOM 220 N HIS A 15 -1.126 -7.144 -4.775 1.00 0.00 N ATOM 221 CA HIS A 15 -2.213 -7.690 -3.906 1.00 0.00 C ATOM 222 C HIS A 15 -1.626 -8.727 -2.943 1.00 0.00 C ATOM 223 O HIS A 15 -0.712 -9.449 -3.282 1.00 0.00 O ATOM 224 CB HIS A 15 -3.275 -8.363 -4.780 1.00 0.00 C ATOM 225 CG HIS A 15 -2.635 -9.439 -5.619 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.900 -9.149 -6.760 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.618 -10.807 -5.500 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.480 -10.319 -7.279 1.00 0.00 C ATOM 229 NE2 HIS A 15 -1.889 -11.360 -6.550 1.00 0.00 N ATOM 0 H HIS A 15 -0.370 -7.797 -4.981 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.665 -6.876 -3.339 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.056 -8.793 -4.153 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.753 -7.624 -5.422 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.097 -11.369 -4.712 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.885 -10.405 -8.176 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.707 -12.348 -6.725 1.00 0.00 H new ATOM 237 N GLN A 16 -2.155 -8.816 -1.754 1.00 0.00 N ATOM 238 CA GLN A 16 -1.639 -9.818 -0.781 1.00 0.00 C ATOM 239 C GLN A 16 -2.614 -9.924 0.392 1.00 0.00 C ATOM 240 O GLN A 16 -3.252 -8.958 0.771 1.00 0.00 O ATOM 241 CB GLN A 16 -0.245 -9.391 -0.280 1.00 0.00 C ATOM 242 CG GLN A 16 0.554 -10.618 0.180 1.00 0.00 C ATOM 243 CD GLN A 16 -0.107 -11.223 1.422 1.00 0.00 C ATOM 244 OE1 GLN A 16 -0.447 -10.514 2.348 1.00 0.00 O ATOM 245 NE2 GLN A 16 -0.304 -12.512 1.482 1.00 0.00 N ATOM 0 H GLN A 16 -2.923 -8.237 -1.414 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.551 -10.790 -1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.293 -8.876 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.348 -8.685 0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.596 -11.358 -0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.582 -10.332 0.405 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.019 -13.108 0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.743 -12.923 2.306 1.00 0.00 H new ATOM 254 N TYR A 17 -2.734 -11.094 0.967 1.00 0.00 N ATOM 255 CA TYR A 17 -3.663 -11.286 2.120 1.00 0.00 C ATOM 256 C TYR A 17 -2.843 -11.447 3.397 1.00 0.00 C ATOM 257 O TYR A 17 -1.828 -12.114 3.416 1.00 0.00 O ATOM 258 CB TYR A 17 -4.515 -12.535 1.879 1.00 0.00 C ATOM 259 CG TYR A 17 -3.633 -13.761 1.876 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.987 -14.159 0.699 1.00 0.00 C ATOM 261 CD2 TYR A 17 -3.469 -14.501 3.050 1.00 0.00 C ATOM 262 CE1 TYR A 17 -2.177 -15.300 0.698 1.00 0.00 C ATOM 263 CE2 TYR A 17 -2.657 -15.642 3.050 1.00 0.00 C ATOM 264 CZ TYR A 17 -2.013 -16.042 1.873 1.00 0.00 C ATOM 265 OH TYR A 17 -1.216 -17.167 1.873 1.00 0.00 O ATOM 0 H TYR A 17 -2.224 -11.931 0.684 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.320 -10.422 2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.275 -12.624 2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.040 -12.451 0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.114 -13.586 -0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.968 -14.193 3.957 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.679 -15.608 -0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.528 -16.213 3.957 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.210 -17.563 2.769 1.00 0.00 H new ATOM 275 N ARG A 18 -3.269 -10.825 4.464 1.00 0.00 N ATOM 276 CA ARG A 18 -2.504 -10.922 5.743 1.00 0.00 C ATOM 277 C ARG A 18 -2.986 -12.128 6.548 1.00 0.00 C ATOM 278 O ARG A 18 -4.171 -12.379 6.664 1.00 0.00 O ATOM 279 CB ARG A 18 -2.712 -9.643 6.556 1.00 0.00 C ATOM 280 CG ARG A 18 -2.096 -8.462 5.802 1.00 0.00 C ATOM 281 CD ARG A 18 -2.389 -7.162 6.551 1.00 0.00 C ATOM 282 NE ARG A 18 -1.700 -7.178 7.869 1.00 0.00 N ATOM 283 CZ ARG A 18 -1.881 -6.197 8.710 1.00 0.00 C ATOM 284 NH1 ARG A 18 -2.659 -5.198 8.390 1.00 0.00 N ATOM 285 NH2 ARG A 18 -1.283 -6.212 9.869 1.00 0.00 N ATOM 0 H ARG A 18 -4.113 -10.254 4.506 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.444 -11.045 5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.776 -9.471 6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.251 -9.743 7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.019 -8.602 5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.503 -8.411 4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.051 -6.308 5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.464 -7.047 6.693 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.087 -7.955 8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.125 -5.185 7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.801 -4.431 9.047 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.673 -6.991 10.118 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.425 -5.445 10.526 1.00 0.00 H new ATOM 299 N ASP A 19 -2.072 -12.879 7.099 1.00 0.00 N ATOM 300 CA ASP A 19 -2.465 -14.075 7.894 1.00 0.00 C ATOM 301 C ASP A 19 -3.102 -13.629 9.213 1.00 0.00 C ATOM 302 O ASP A 19 -3.793 -14.385 9.867 1.00 0.00 O ATOM 303 CB ASP A 19 -1.223 -14.918 8.189 1.00 0.00 C ATOM 304 CG ASP A 19 -0.723 -15.561 6.896 1.00 0.00 C ATOM 305 OD1 ASP A 19 -1.454 -15.526 5.921 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.381 -16.079 6.901 1.00 0.00 O ATOM 0 H ASP A 19 -1.068 -12.715 7.032 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.184 -14.667 7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.442 -14.294 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.460 -15.689 8.923 1.00 0.00 H new ATOM 311 N ASP A 20 -2.868 -12.407 9.611 1.00 0.00 N ATOM 312 CA ASP A 20 -3.452 -11.915 10.892 1.00 0.00 C ATOM 313 C ASP A 20 -4.979 -11.940 10.807 1.00 0.00 C ATOM 314 O ASP A 20 -5.653 -12.389 11.715 1.00 0.00 O ATOM 315 CB ASP A 20 -2.979 -10.483 11.146 1.00 0.00 C ATOM 316 CG ASP A 20 -1.501 -10.501 11.542 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.980 -11.582 11.760 1.00 0.00 O ATOM 318 OD2 ASP A 20 -0.916 -9.433 11.619 1.00 0.00 O ATOM 0 H ASP A 20 -2.298 -11.729 9.105 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.127 -12.559 11.709 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.120 -9.877 10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.574 -10.026 11.937 1.00 0.00 H new ATOM 323 N ILE A 21 -5.527 -11.466 9.717 1.00 0.00 N ATOM 324 CA ILE A 21 -7.014 -11.456 9.540 1.00 0.00 C ATOM 325 C ILE A 21 -7.388 -12.423 8.415 1.00 0.00 C ATOM 326 O ILE A 21 -8.546 -12.625 8.109 1.00 0.00 O ATOM 327 CB ILE A 21 -7.474 -10.034 9.198 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.773 -9.542 7.925 1.00 0.00 C ATOM 329 CG2 ILE A 21 -7.120 -9.100 10.355 1.00 0.00 C ATOM 330 CD1 ILE A 21 -7.386 -8.209 7.489 1.00 0.00 C ATOM 0 H ILE A 21 -5.002 -11.081 8.932 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.505 -11.772 10.460 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.552 -10.039 9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.705 -9.421 8.108 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.878 -10.280 7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.445 -8.087 10.117 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.621 -9.438 11.262 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.041 -9.108 10.512 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.889 -7.858 6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.449 -8.345 7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.258 -7.473 8.282 1.00 0.00 H new ATOM 342 N ARG A 22 -6.405 -13.021 7.801 1.00 0.00 N ATOM 343 CA ARG A 22 -6.678 -13.980 6.694 1.00 0.00 C ATOM 344 C ARG A 22 -7.666 -13.370 5.697 1.00 0.00 C ATOM 345 O ARG A 22 -8.641 -13.988 5.320 1.00 0.00 O ATOM 346 CB ARG A 22 -7.264 -15.273 7.274 1.00 0.00 C ATOM 347 CG ARG A 22 -6.194 -16.051 8.058 1.00 0.00 C ATOM 348 CD ARG A 22 -5.316 -16.864 7.097 1.00 0.00 C ATOM 349 NE ARG A 22 -4.350 -17.690 7.880 1.00 0.00 N ATOM 350 CZ ARG A 22 -3.195 -18.029 7.363 1.00 0.00 C ATOM 351 NH1 ARG A 22 -2.881 -17.655 6.152 1.00 0.00 N ATOM 352 NH2 ARG A 22 -2.356 -18.748 8.058 1.00 0.00 N ATOM 0 H ARG A 22 -5.418 -12.886 8.020 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.745 -14.200 6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.102 -15.036 7.930 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.655 -15.894 6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.576 -15.358 8.628 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.672 -16.717 8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.939 -17.507 6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.778 -16.195 6.426 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.591 -17.992 8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.536 -17.097 5.605 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.981 -17.921 5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.600 -19.045 9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.456 -19.012 7.656 1.00 0.00 H new ATOM 366 N LYS A 23 -7.405 -12.168 5.249 1.00 0.00 N ATOM 367 CA LYS A 23 -8.307 -11.511 4.255 1.00 0.00 C ATOM 368 C LYS A 23 -7.458 -10.775 3.221 1.00 0.00 C ATOM 369 O LYS A 23 -6.313 -10.436 3.465 1.00 0.00 O ATOM 370 CB LYS A 23 -9.241 -10.515 4.963 1.00 0.00 C ATOM 371 CG LYS A 23 -10.329 -11.259 5.755 1.00 0.00 C ATOM 372 CD LYS A 23 -11.460 -11.710 4.817 1.00 0.00 C ATOM 373 CE LYS A 23 -12.541 -12.424 5.625 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.637 -12.849 4.711 1.00 0.00 N ATOM 0 H LYS A 23 -6.600 -11.610 5.532 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.915 -12.270 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.663 -9.882 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.705 -9.858 4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.896 -12.125 6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.730 -10.609 6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.886 -10.848 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.066 -12.376 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.119 -13.291 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.932 -11.761 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.376 -13.336 5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.045 -12.013 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.257 -13.495 3.990 1.00 0.00 H new ATOM 388 N TYR A 24 -8.010 -10.539 2.060 1.00 0.00 N ATOM 389 CA TYR A 24 -7.249 -9.838 0.991 1.00 0.00 C ATOM 390 C TYR A 24 -7.380 -8.329 1.169 1.00 0.00 C ATOM 391 O TYR A 24 -8.466 -7.807 1.334 1.00 0.00 O ATOM 392 CB TYR A 24 -7.824 -10.236 -0.365 1.00 0.00 C ATOM 393 CG TYR A 24 -7.487 -11.678 -0.642 1.00 0.00 C ATOM 394 CD1 TYR A 24 -8.321 -12.698 -0.169 1.00 0.00 C ATOM 395 CD2 TYR A 24 -6.336 -11.993 -1.369 1.00 0.00 C ATOM 396 CE1 TYR A 24 -8.002 -14.036 -0.427 1.00 0.00 C ATOM 397 CE2 TYR A 24 -6.018 -13.330 -1.628 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.850 -14.352 -1.156 1.00 0.00 C ATOM 399 OH TYR A 24 -6.534 -15.670 -1.411 1.00 0.00 O ATOM 0 H TYR A 24 -8.962 -10.805 1.807 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.197 -10.116 1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.905 -10.095 -0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.415 -9.598 -1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.209 -12.453 0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.693 -11.205 -1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.645 -14.824 -0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.130 -13.574 -2.192 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.704 -15.713 -1.930 1.00 0.00 H new ATOM 409 N VAL A 25 -6.283 -7.615 1.122 1.00 0.00 N ATOM 410 CA VAL A 25 -6.351 -6.131 1.275 1.00 0.00 C ATOM 411 C VAL A 25 -5.267 -5.480 0.405 1.00 0.00 C ATOM 412 O VAL A 25 -4.213 -6.050 0.200 1.00 0.00 O ATOM 413 CB VAL A 25 -6.122 -5.750 2.743 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.380 -6.060 3.552 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.950 -6.554 3.307 1.00 0.00 C ATOM 0 H VAL A 25 -5.346 -7.995 0.985 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.334 -5.781 0.961 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.897 -4.685 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.218 -5.789 4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.218 -5.487 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.603 -7.125 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.790 -6.281 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.174 -7.619 3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.050 -6.336 2.733 1.00 0.00 H new ATOM 425 N PRO A 26 -5.509 -4.292 -0.101 1.00 0.00 N ATOM 426 CA PRO A 26 -4.523 -3.574 -0.950 1.00 0.00 C ATOM 427 C PRO A 26 -3.092 -3.770 -0.441 1.00 0.00 C ATOM 428 O PRO A 26 -2.728 -3.267 0.596 1.00 0.00 O ATOM 429 CB PRO A 26 -4.951 -2.109 -0.821 1.00 0.00 C ATOM 430 CG PRO A 26 -6.429 -2.146 -0.580 1.00 0.00 C ATOM 431 CD PRO A 26 -6.741 -3.504 0.074 1.00 0.00 C ATOM 0 HA PRO A 26 -4.514 -3.934 -1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.431 -1.619 0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.714 -1.549 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.735 -1.325 0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.976 -2.033 -1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.991 -3.388 1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.593 -3.988 -0.404 1.00 0.00 H new ATOM 439 N TYR A 27 -2.280 -4.497 -1.161 1.00 0.00 N ATOM 440 CA TYR A 27 -0.871 -4.720 -0.710 1.00 0.00 C ATOM 441 C TYR A 27 0.075 -3.925 -1.605 1.00 0.00 C ATOM 442 O TYR A 27 0.215 -4.215 -2.777 1.00 0.00 O ATOM 443 CB TYR A 27 -0.538 -6.207 -0.829 1.00 0.00 C ATOM 444 CG TYR A 27 0.816 -6.468 -0.210 1.00 0.00 C ATOM 445 CD1 TYR A 27 0.946 -6.522 1.183 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.941 -6.650 -1.025 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.197 -6.760 1.760 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.193 -6.889 -0.446 1.00 0.00 C ATOM 449 CZ TYR A 27 3.321 -6.943 0.946 1.00 0.00 C ATOM 450 OH TYR A 27 4.555 -7.176 1.518 1.00 0.00 O ATOM 0 H TYR A 27 -2.529 -4.947 -2.042 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.760 -4.396 0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.301 -6.803 -0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.536 -6.508 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.080 -6.380 1.812 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.842 -6.606 -2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.296 -6.803 2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.060 -7.032 -1.074 1.00 0.00 H new ATOM 0 HH TYR A 27 5.228 -7.282 0.813 1.00 0.00 H new ATOM 460 N ALA A 28 0.732 -2.927 -1.065 1.00 0.00 N ATOM 461 CA ALA A 28 1.680 -2.116 -1.893 1.00 0.00 C ATOM 462 C ALA A 28 2.946 -1.853 -1.079 1.00 0.00 C ATOM 463 O ALA A 28 2.925 -1.846 0.135 1.00 0.00 O ATOM 464 CB ALA A 28 1.012 -0.786 -2.288 1.00 0.00 C ATOM 0 H ALA A 28 0.653 -2.639 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 28 1.941 -2.658 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.703 -0.197 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.110 -0.989 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.750 -0.229 -1.388 1.00 0.00 H new ATOM 470 N LEU A 29 4.050 -1.636 -1.746 1.00 0.00 N ATOM 471 CA LEU A 29 5.334 -1.369 -1.031 1.00 0.00 C ATOM 472 C LEU A 29 5.715 0.095 -1.237 1.00 0.00 C ATOM 473 O LEU A 29 5.728 0.595 -2.345 1.00 0.00 O ATOM 474 CB LEU A 29 6.426 -2.276 -1.604 1.00 0.00 C ATOM 475 CG LEU A 29 5.999 -3.744 -1.473 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.073 -4.639 -2.098 1.00 0.00 C ATOM 477 CD2 LEU A 29 5.817 -4.114 0.011 1.00 0.00 C ATOM 0 H LEU A 29 4.117 -1.632 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 29 5.223 -1.571 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.604 -2.031 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.364 -2.111 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 29 5.051 -3.889 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.774 -5.683 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.190 -4.385 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.020 -4.486 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.514 -5.158 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.758 -3.968 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.050 -3.479 0.453 1.00 0.00 H new ATOM 489 N ILE A 30 6.017 0.785 -0.169 1.00 0.00 N ATOM 490 CA ILE A 30 6.391 2.228 -0.267 1.00 0.00 C ATOM 491 C ILE A 30 7.891 2.381 -0.023 1.00 0.00 C ATOM 492 O ILE A 30 8.420 1.891 0.956 1.00 0.00 O ATOM 493 CB ILE A 30 5.614 3.011 0.792 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.113 2.884 0.515 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.023 4.484 0.752 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.323 3.447 1.696 1.00 0.00 C ATOM 0 H ILE A 30 6.021 0.406 0.778 1.00 0.00 H new ATOM 0 HA ILE A 30 6.149 2.610 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 30 5.838 2.607 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.855 3.422 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.850 1.838 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.466 5.037 1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.091 4.571 0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.804 4.896 -0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.255 3.355 1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.572 2.890 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.577 4.498 1.836 1.00 0.00 H new ATOM 508 N ARG A 31 8.578 3.059 -0.908 1.00 0.00 N ATOM 509 CA ARG A 31 10.051 3.258 -0.745 1.00 0.00 C ATOM 510 C ARG A 31 10.377 4.740 -0.925 1.00 0.00 C ATOM 511 O ARG A 31 9.843 5.403 -1.793 1.00 0.00 O ATOM 512 CB ARG A 31 10.789 2.431 -1.801 1.00 0.00 C ATOM 513 CG ARG A 31 10.617 0.943 -1.487 1.00 0.00 C ATOM 514 CD ARG A 31 11.321 0.110 -2.559 1.00 0.00 C ATOM 515 NE ARG A 31 10.591 0.241 -3.848 1.00 0.00 N ATOM 516 CZ ARG A 31 11.036 -0.364 -4.913 1.00 0.00 C ATOM 517 NH1 ARG A 31 12.127 -1.078 -4.850 1.00 0.00 N ATOM 518 NH2 ARG A 31 10.392 -0.254 -6.043 1.00 0.00 N ATOM 0 H ARG A 31 8.178 3.487 -1.743 1.00 0.00 H new ATOM 0 HA ARG A 31 10.365 2.937 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.397 2.653 -2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.847 2.693 -1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.033 0.717 -0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.558 0.688 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.351 0.445 -2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.359 -0.936 -2.255 1.00 0.00 H new ATOM 0 HE ARG A 31 9.742 0.804 -3.899 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.631 -1.162 -3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.475 -1.552 -5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.541 0.305 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.740 -0.727 -6.877 1.00 0.00 H new ATOM 532 N LYS A 32 11.246 5.265 -0.107 1.00 0.00 N ATOM 533 CA LYS A 32 11.606 6.705 -0.220 1.00 0.00 C ATOM 534 C LYS A 32 12.665 6.883 -1.312 1.00 0.00 C ATOM 535 O LYS A 32 13.588 6.101 -1.430 1.00 0.00 O ATOM 536 CB LYS A 32 12.148 7.192 1.124 1.00 0.00 C ATOM 537 CG LYS A 32 12.464 8.684 1.046 1.00 0.00 C ATOM 538 CD LYS A 32 12.921 9.171 2.423 1.00 0.00 C ATOM 539 CE LYS A 32 13.243 10.664 2.360 1.00 0.00 C ATOM 540 NZ LYS A 32 11.975 11.446 2.340 1.00 0.00 N ATOM 0 H LYS A 32 11.724 4.757 0.637 1.00 0.00 H new ATOM 0 HA LYS A 32 10.725 7.289 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.416 7.007 1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.047 6.634 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.243 8.865 0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.583 9.239 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.141 8.988 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.800 8.613 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.847 10.953 3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.831 10.883 1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.134 12.376 2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.662 11.574 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.243 10.934 2.873 1.00 0.00 H new ATOM 554 N VAL A 33 12.528 7.901 -2.119 1.00 0.00 N ATOM 555 CA VAL A 33 13.514 8.128 -3.214 1.00 0.00 C ATOM 556 C VAL A 33 14.862 8.550 -2.621 1.00 0.00 C ATOM 557 O VAL A 33 15.054 9.688 -2.238 1.00 0.00 O ATOM 558 CB VAL A 33 12.983 9.233 -4.128 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.005 9.538 -5.227 1.00 0.00 C ATOM 560 CG2 VAL A 33 11.670 8.769 -4.766 1.00 0.00 C ATOM 0 H VAL A 33 11.774 8.586 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 33 13.654 7.209 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 33 12.811 10.136 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.619 10.326 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.940 9.866 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.184 8.639 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 33 11.286 9.553 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.848 7.866 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.940 8.558 -3.984 1.00 0.00 H new ATOM 570 N GLY A 34 15.801 7.637 -2.551 1.00 0.00 N ATOM 571 CA GLY A 34 17.148 7.970 -1.988 1.00 0.00 C ATOM 572 C GLY A 34 17.614 6.837 -1.072 1.00 0.00 C ATOM 573 O GLY A 34 18.791 6.677 -0.814 1.00 0.00 O ATOM 0 H GLY A 34 15.692 6.671 -2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.865 8.117 -2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.100 8.906 -1.431 1.00 0.00 H new ATOM 577 N VAL A 35 16.698 6.043 -0.577 1.00 0.00 N ATOM 578 CA VAL A 35 17.087 4.918 0.322 1.00 0.00 C ATOM 579 C VAL A 35 16.063 3.782 0.212 1.00 0.00 C ATOM 580 O VAL A 35 15.509 3.344 1.202 1.00 0.00 O ATOM 581 CB VAL A 35 17.139 5.402 1.778 1.00 0.00 C ATOM 582 CG1 VAL A 35 18.327 6.349 1.969 1.00 0.00 C ATOM 583 CG2 VAL A 35 15.839 6.137 2.132 1.00 0.00 C ATOM 0 H VAL A 35 15.698 6.127 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 35 18.070 4.557 0.021 1.00 0.00 H new ATOM 0 HB VAL A 35 17.255 4.538 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.358 6.689 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.252 5.824 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 35 18.217 7.209 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.884 6.477 3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.715 6.996 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.993 5.460 2.009 1.00 0.00 H new ATOM 593 N PRO A 36 15.821 3.299 -0.981 1.00 0.00 N ATOM 594 CA PRO A 36 14.853 2.187 -1.211 1.00 0.00 C ATOM 595 C PRO A 36 15.409 0.849 -0.707 1.00 0.00 C ATOM 596 O PRO A 36 14.704 -0.137 -0.611 1.00 0.00 O ATOM 597 CB PRO A 36 14.675 2.174 -2.736 1.00 0.00 C ATOM 598 CG PRO A 36 15.947 2.748 -3.277 1.00 0.00 C ATOM 599 CD PRO A 36 16.437 3.761 -2.237 1.00 0.00 C ATOM 0 HA PRO A 36 13.914 2.329 -0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.509 1.162 -3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.813 2.769 -3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.689 1.966 -3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.778 3.230 -4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.525 3.771 -2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 36 16.124 4.775 -2.487 1.00 0.00 H new ATOM 607 N ASP A 37 16.674 0.815 -0.388 1.00 0.00 N ATOM 608 CA ASP A 37 17.293 -0.445 0.110 1.00 0.00 C ATOM 609 C ASP A 37 16.855 -0.694 1.553 1.00 0.00 C ATOM 610 O ASP A 37 17.204 -1.687 2.156 1.00 0.00 O ATOM 611 CB ASP A 37 18.816 -0.313 0.061 1.00 0.00 C ATOM 612 CG ASP A 37 19.454 -1.689 0.261 1.00 0.00 C ATOM 613 OD1 ASP A 37 19.041 -2.615 -0.417 1.00 0.00 O ATOM 614 OD2 ASP A 37 20.349 -1.792 1.083 1.00 0.00 O ATOM 0 H ASP A 37 17.309 1.611 -0.452 1.00 0.00 H new ATOM 0 HA ASP A 37 16.975 -1.279 -0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 37 19.125 0.107 -0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.157 0.374 0.835 1.00 0.00 H new ATOM 619 N ARG A 38 16.101 0.208 2.117 1.00 0.00 N ATOM 620 CA ARG A 38 15.653 0.028 3.526 1.00 0.00 C ATOM 621 C ARG A 38 14.448 -0.911 3.554 1.00 0.00 C ATOM 622 O ARG A 38 13.519 -0.752 2.788 1.00 0.00 O ATOM 623 CB ARG A 38 15.258 1.394 4.102 1.00 0.00 C ATOM 624 CG ARG A 38 16.454 2.360 4.052 1.00 0.00 C ATOM 625 CD ARG A 38 17.411 2.081 5.215 1.00 0.00 C ATOM 626 NE ARG A 38 16.669 2.219 6.498 1.00 0.00 N ATOM 627 CZ ARG A 38 17.154 1.701 7.592 1.00 0.00 C ATOM 628 NH1 ARG A 38 18.286 1.055 7.563 1.00 0.00 N ATOM 629 NH2 ARG A 38 16.501 1.830 8.714 1.00 0.00 N ATOM 0 H ARG A 38 15.776 1.062 1.663 1.00 0.00 H new ATOM 0 HA ARG A 38 16.458 -0.401 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.424 1.808 3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 38 14.918 1.278 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 38 16.981 2.249 3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 38 16.101 3.390 4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.827 1.078 5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.249 2.777 5.188 1.00 0.00 H new ATOM 0 HE ARG A 38 15.780 2.719 6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.793 0.954 6.684 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.664 0.650 8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.615 2.334 8.733 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.877 1.426 9.572 1.00 0.00 H new ATOM 643 N THR A 39 14.468 -1.890 4.439 1.00 0.00 N ATOM 644 CA THR A 39 13.338 -2.870 4.551 1.00 0.00 C ATOM 645 C THR A 39 11.997 -2.174 4.233 1.00 0.00 C ATOM 646 O THR A 39 11.426 -1.521 5.084 1.00 0.00 O ATOM 647 CB THR A 39 13.301 -3.421 5.983 1.00 0.00 C ATOM 648 OG1 THR A 39 14.551 -4.028 6.286 1.00 0.00 O ATOM 649 CG2 THR A 39 12.188 -4.462 6.105 1.00 0.00 C ATOM 0 H THR A 39 15.232 -2.050 5.095 1.00 0.00 H new ATOM 0 HA THR A 39 13.490 -3.682 3.840 1.00 0.00 H new ATOM 0 HB THR A 39 13.110 -2.605 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.531 -4.379 7.201 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.164 -4.852 7.123 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.229 -3.999 5.871 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.376 -5.279 5.408 1.00 0.00 H new ATOM 657 N PRO A 40 11.502 -2.294 3.015 1.00 0.00 N ATOM 658 CA PRO A 40 10.220 -1.638 2.609 1.00 0.00 C ATOM 659 C PRO A 40 9.057 -2.009 3.536 1.00 0.00 C ATOM 660 O PRO A 40 8.958 -3.125 4.006 1.00 0.00 O ATOM 661 CB PRO A 40 9.959 -2.166 1.182 1.00 0.00 C ATOM 662 CG PRO A 40 11.295 -2.605 0.672 1.00 0.00 C ATOM 663 CD PRO A 40 12.096 -3.057 1.896 1.00 0.00 C ATOM 0 HA PRO A 40 10.295 -0.552 2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.251 -2.994 1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.532 -1.390 0.548 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.189 -3.419 -0.045 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.801 -1.789 0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.009 -4.132 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.157 -2.837 1.782 1.00 0.00 H new ATOM 671 N ILE A 41 8.172 -1.076 3.801 1.00 0.00 N ATOM 672 CA ILE A 41 7.008 -1.361 4.698 1.00 0.00 C ATOM 673 C ILE A 41 5.738 -1.480 3.837 1.00 0.00 C ATOM 674 O ILE A 41 5.480 -0.631 3.006 1.00 0.00 O ATOM 675 CB ILE A 41 6.838 -0.199 5.683 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.186 0.124 6.346 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.814 -0.587 6.753 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.813 -1.149 6.925 1.00 0.00 C ATOM 0 H ILE A 41 8.207 -0.126 3.432 1.00 0.00 H new ATOM 0 HA ILE A 41 7.177 -2.288 5.247 1.00 0.00 H new ATOM 0 HB ILE A 41 6.487 0.682 5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.861 0.570 5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.043 0.859 7.138 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.691 0.238 7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.857 -0.805 6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.164 -1.470 7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.767 -0.905 7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.144 -1.577 7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.975 -1.871 6.125 1.00 0.00 H new ATOM 690 N PRO A 42 4.943 -2.519 4.009 1.00 0.00 N ATOM 691 CA PRO A 42 3.700 -2.699 3.203 1.00 0.00 C ATOM 692 C PRO A 42 2.585 -1.742 3.640 1.00 0.00 C ATOM 693 O PRO A 42 2.481 -1.388 4.799 1.00 0.00 O ATOM 694 CB PRO A 42 3.316 -4.163 3.461 1.00 0.00 C ATOM 695 CG PRO A 42 3.838 -4.456 4.829 1.00 0.00 C ATOM 696 CD PRO A 42 5.116 -3.621 4.980 1.00 0.00 C ATOM 0 HA PRO A 42 3.854 -2.477 2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.236 -4.304 3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.759 -4.826 2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.106 -4.190 5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.050 -5.519 4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.228 -3.243 5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.006 -4.211 4.760 1.00 0.00 H new ATOM 704 N THR A 43 1.745 -1.332 2.718 1.00 0.00 N ATOM 705 CA THR A 43 0.618 -0.406 3.057 1.00 0.00 C ATOM 706 C THR A 43 -0.705 -1.082 2.704 1.00 0.00 C ATOM 707 O THR A 43 -0.860 -1.654 1.635 1.00 0.00 O ATOM 708 CB THR A 43 0.755 0.898 2.262 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.266 1.804 2.663 1.00 0.00 O ATOM 710 CG2 THR A 43 0.624 0.610 0.767 1.00 0.00 C ATOM 0 H THR A 43 1.793 -1.603 1.736 1.00 0.00 H new ATOM 0 HA THR A 43 0.645 -0.176 4.122 1.00 0.00 H new ATOM 0 HB THR A 43 1.733 1.338 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.179 2.639 2.157 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.722 1.540 0.207 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.408 -0.083 0.460 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.351 0.167 0.566 1.00 0.00 H new ATOM 718 N THR A 44 -1.652 -1.022 3.606 1.00 0.00 N ATOM 719 CA THR A 44 -2.986 -1.649 3.378 1.00 0.00 C ATOM 720 C THR A 44 -4.067 -0.681 3.837 1.00 0.00 C ATOM 721 O THR A 44 -3.782 0.302 4.493 1.00 0.00 O ATOM 722 CB THR A 44 -3.094 -2.943 4.186 1.00 0.00 C ATOM 723 OG1 THR A 44 -3.099 -2.628 5.570 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.903 -3.850 3.871 1.00 0.00 C ATOM 0 H THR A 44 -1.553 -0.555 4.508 1.00 0.00 H new ATOM 0 HA THR A 44 -3.108 -1.876 2.319 1.00 0.00 H new ATOM 0 HB THR A 44 -4.016 -3.461 3.923 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.170 -3.454 6.093 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.984 -4.771 4.449 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.898 -4.088 2.807 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.977 -3.338 4.132 1.00 0.00 H new ATOM 732 N TYR A 45 -5.307 -0.943 3.496 1.00 0.00 N ATOM 733 CA TYR A 45 -6.416 -0.028 3.914 1.00 0.00 C ATOM 734 C TYR A 45 -7.528 -0.850 4.597 1.00 0.00 C ATOM 735 O TYR A 45 -7.810 -1.961 4.189 1.00 0.00 O ATOM 736 CB TYR A 45 -6.978 0.677 2.657 1.00 0.00 C ATOM 737 CG TYR A 45 -7.344 2.106 2.991 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.345 2.997 3.397 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.674 2.537 2.910 1.00 0.00 C ATOM 740 CE1 TYR A 45 -6.670 4.316 3.722 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.000 3.861 3.234 1.00 0.00 C ATOM 742 CZ TYR A 45 -7.997 4.750 3.640 1.00 0.00 C ATOM 743 OH TYR A 45 -8.319 6.053 3.964 1.00 0.00 O ATOM 0 H TYR A 45 -5.598 -1.751 2.946 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.044 0.717 4.617 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.238 0.659 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.855 0.143 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.319 2.664 3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.447 1.850 2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.896 5.001 4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.025 4.196 3.171 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.283 6.189 3.852 1.00 0.00 H new ATOM 753 N PRO A 46 -8.178 -0.316 5.617 1.00 0.00 N ATOM 754 CA PRO A 46 -9.282 -1.039 6.316 1.00 0.00 C ATOM 755 C PRO A 46 -10.241 -1.716 5.329 1.00 0.00 C ATOM 756 O PRO A 46 -10.880 -2.703 5.644 1.00 0.00 O ATOM 757 CB PRO A 46 -10.012 0.073 7.083 1.00 0.00 C ATOM 758 CG PRO A 46 -8.972 1.116 7.354 1.00 0.00 C ATOM 759 CD PRO A 46 -7.926 1.006 6.231 1.00 0.00 C ATOM 0 HA PRO A 46 -8.905 -1.838 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.834 0.481 6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.440 -0.305 8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.418 2.111 7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.510 0.957 8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.039 1.810 5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.912 1.074 6.625 1.00 0.00 H new ATOM 767 N GLU A 47 -10.352 -1.185 4.144 1.00 0.00 N ATOM 768 CA GLU A 47 -11.271 -1.785 3.139 1.00 0.00 C ATOM 769 C GLU A 47 -10.767 -3.170 2.734 1.00 0.00 C ATOM 770 O GLU A 47 -9.635 -3.531 2.998 1.00 0.00 O ATOM 771 CB GLU A 47 -11.322 -0.882 1.907 1.00 0.00 C ATOM 772 CG GLU A 47 -12.025 0.427 2.264 1.00 0.00 C ATOM 773 CD GLU A 47 -11.980 1.370 1.061 1.00 0.00 C ATOM 774 OE1 GLU A 47 -11.423 0.978 0.049 1.00 0.00 O ATOM 775 OE2 GLU A 47 -12.499 2.468 1.173 1.00 0.00 O ATOM 0 H GLU A 47 -9.844 -0.359 3.828 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.267 -1.881 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.312 -0.679 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.852 -1.383 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.059 0.232 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.540 0.891 3.123 1.00 0.00 H new ATOM 782 N PHE A 48 -11.606 -3.951 2.096 1.00 0.00 N ATOM 783 CA PHE A 48 -11.202 -5.325 1.662 1.00 0.00 C ATOM 784 C PHE A 48 -11.521 -5.492 0.177 1.00 0.00 C ATOM 785 O PHE A 48 -12.476 -4.934 -0.325 1.00 0.00 O ATOM 786 CB PHE A 48 -11.999 -6.361 2.458 1.00 0.00 C ATOM 787 CG PHE A 48 -11.827 -6.108 3.935 1.00 0.00 C ATOM 788 CD1 PHE A 48 -10.641 -6.480 4.574 1.00 0.00 C ATOM 789 CD2 PHE A 48 -12.854 -5.497 4.664 1.00 0.00 C ATOM 790 CE1 PHE A 48 -10.481 -6.240 5.944 1.00 0.00 C ATOM 791 CE2 PHE A 48 -12.695 -5.259 6.033 1.00 0.00 C ATOM 792 CZ PHE A 48 -11.508 -5.631 6.674 1.00 0.00 C ATOM 0 H PHE A 48 -12.563 -3.692 1.855 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.135 -5.466 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.054 -6.307 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.658 -7.366 2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.849 -6.952 4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.770 -5.209 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.564 -6.525 6.438 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.488 -4.788 6.595 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.385 -5.448 7.731 1.00 0.00 H new ATOM 802 N TYR A 49 -10.742 -6.265 -0.532 1.00 0.00 N ATOM 803 CA TYR A 49 -11.020 -6.472 -1.985 1.00 0.00 C ATOM 804 C TYR A 49 -10.528 -7.850 -2.410 1.00 0.00 C ATOM 805 O TYR A 49 -9.345 -8.118 -2.461 1.00 0.00 O ATOM 806 CB TYR A 49 -10.320 -5.394 -2.812 1.00 0.00 C ATOM 807 CG TYR A 49 -11.037 -4.078 -2.625 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.242 -3.840 -3.295 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.506 -3.100 -1.778 1.00 0.00 C ATOM 810 CE1 TYR A 49 -12.913 -2.624 -3.119 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.175 -1.886 -1.601 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.379 -1.646 -2.271 1.00 0.00 C ATOM 813 OH TYR A 49 -13.041 -0.449 -2.094 1.00 0.00 O ATOM 0 H TYR A 49 -9.927 -6.761 -0.170 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.095 -6.405 -2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.279 -5.301 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.316 -5.673 -3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -12.655 -4.595 -3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.577 -3.283 -1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -13.843 -2.440 -3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.762 -1.133 -0.946 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.581 0.081 -1.410 1.00 0.00 H new ATOM 823 N ASP A 50 -11.440 -8.725 -2.713 1.00 0.00 N ATOM 824 CA ASP A 50 -11.059 -10.097 -3.136 1.00 0.00 C ATOM 825 C ASP A 50 -10.339 -10.046 -4.485 1.00 0.00 C ATOM 826 O ASP A 50 -9.470 -10.848 -4.766 1.00 0.00 O ATOM 827 CB ASP A 50 -12.324 -10.949 -3.260 1.00 0.00 C ATOM 828 CG ASP A 50 -11.946 -12.384 -3.630 1.00 0.00 C ATOM 829 OD1 ASP A 50 -10.778 -12.620 -3.889 1.00 0.00 O ATOM 830 OD2 ASP A 50 -12.832 -13.223 -3.643 1.00 0.00 O ATOM 0 H ASP A 50 -12.444 -8.547 -2.685 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.390 -10.534 -2.395 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.874 -10.939 -2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.984 -10.529 -4.020 1.00 0.00 H new ATOM 835 N LEU A 51 -10.714 -9.129 -5.337 1.00 0.00 N ATOM 836 CA LEU A 51 -10.071 -9.053 -6.680 1.00 0.00 C ATOM 837 C LEU A 51 -8.712 -8.357 -6.597 1.00 0.00 C ATOM 838 O LEU A 51 -8.544 -7.358 -5.922 1.00 0.00 O ATOM 839 CB LEU A 51 -10.979 -8.270 -7.630 1.00 0.00 C ATOM 840 CG LEU A 51 -12.367 -8.921 -7.688 1.00 0.00 C ATOM 841 CD1 LEU A 51 -13.260 -8.107 -8.628 1.00 0.00 C ATOM 842 CD2 LEU A 51 -12.256 -10.366 -8.202 1.00 0.00 C ATOM 0 H LEU A 51 -11.436 -8.431 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.920 -10.067 -7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.067 -7.237 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.539 -8.244 -8.627 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.799 -8.939 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.249 -8.563 -8.675 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.348 -7.087 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.820 -8.091 -9.625 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.248 -10.816 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.821 -10.364 -9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.620 -10.943 -7.531 1.00 0.00 H new ATOM 854 N GLU A 52 -7.745 -8.883 -7.297 1.00 0.00 N ATOM 855 CA GLU A 52 -6.386 -8.275 -7.297 1.00 0.00 C ATOM 856 C GLU A 52 -6.421 -6.952 -8.063 1.00 0.00 C ATOM 857 O GLU A 52 -5.752 -5.999 -7.717 1.00 0.00 O ATOM 858 CB GLU A 52 -5.410 -9.241 -7.977 1.00 0.00 C ATOM 859 CG GLU A 52 -5.807 -9.426 -9.446 1.00 0.00 C ATOM 860 CD GLU A 52 -4.952 -10.528 -10.073 1.00 0.00 C ATOM 861 OE1 GLU A 52 -4.685 -11.504 -9.392 1.00 0.00 O ATOM 862 OE2 GLU A 52 -4.577 -10.376 -11.225 1.00 0.00 O ATOM 0 H GLU A 52 -7.841 -9.718 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.062 -8.087 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.394 -8.853 -7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.418 -10.203 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.863 -9.686 -9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.671 -8.492 -9.991 1.00 0.00 H new ATOM 869 N ALA A 53 -7.191 -6.894 -9.117 1.00 0.00 N ATOM 870 CA ALA A 53 -7.267 -5.646 -9.926 1.00 0.00 C ATOM 871 C ALA A 53 -7.724 -4.482 -9.046 1.00 0.00 C ATOM 872 O ALA A 53 -7.125 -3.425 -9.037 1.00 0.00 O ATOM 873 CB ALA A 53 -8.274 -5.848 -11.062 1.00 0.00 C ATOM 0 H ALA A 53 -7.773 -7.662 -9.453 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.283 -5.419 -10.336 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.336 -4.938 -11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.949 -6.675 -11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.255 -6.074 -10.643 1.00 0.00 H new ATOM 879 N ASP A 54 -8.778 -4.670 -8.306 1.00 0.00 N ATOM 880 CA ASP A 54 -9.275 -3.577 -7.425 1.00 0.00 C ATOM 881 C ASP A 54 -8.230 -3.299 -6.340 1.00 0.00 C ATOM 882 O ASP A 54 -8.024 -2.173 -5.932 1.00 0.00 O ATOM 883 CB ASP A 54 -10.603 -4.013 -6.784 1.00 0.00 C ATOM 884 CG ASP A 54 -11.774 -3.716 -7.731 1.00 0.00 C ATOM 885 OD1 ASP A 54 -11.542 -3.121 -8.771 1.00 0.00 O ATOM 886 OD2 ASP A 54 -12.884 -4.102 -7.405 1.00 0.00 O ATOM 0 H ASP A 54 -9.319 -5.534 -8.272 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.440 -2.669 -8.005 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.572 -5.078 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.748 -3.489 -5.839 1.00 0.00 H new ATOM 891 N ALA A 55 -7.572 -4.322 -5.869 1.00 0.00 N ATOM 892 CA ALA A 55 -6.543 -4.131 -4.809 1.00 0.00 C ATOM 893 C ALA A 55 -5.406 -3.255 -5.349 1.00 0.00 C ATOM 894 O ALA A 55 -4.889 -2.397 -4.660 1.00 0.00 O ATOM 895 CB ALA A 55 -5.989 -5.501 -4.404 1.00 0.00 C ATOM 0 H ALA A 55 -7.704 -5.286 -6.174 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.990 -3.642 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.234 -5.373 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.799 -6.123 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.539 -5.983 -5.272 1.00 0.00 H new ATOM 901 N GLU A 56 -5.016 -3.464 -6.577 1.00 0.00 N ATOM 902 CA GLU A 56 -3.914 -2.645 -7.163 1.00 0.00 C ATOM 903 C GLU A 56 -4.356 -1.184 -7.300 1.00 0.00 C ATOM 904 O GLU A 56 -3.662 -0.274 -6.888 1.00 0.00 O ATOM 905 CB GLU A 56 -3.564 -3.190 -8.550 1.00 0.00 C ATOM 906 CG GLU A 56 -2.902 -4.562 -8.418 1.00 0.00 C ATOM 907 CD GLU A 56 -2.674 -5.145 -9.813 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.007 -4.471 -10.775 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.174 -6.253 -9.898 1.00 0.00 O ATOM 0 H GLU A 56 -5.412 -4.167 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.045 -2.698 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.466 -3.268 -9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.893 -2.501 -9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.953 -4.472 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.533 -5.229 -7.831 1.00 0.00 H new ATOM 916 N ARG A 57 -5.501 -0.953 -7.882 1.00 0.00 N ATOM 917 CA ARG A 57 -5.984 0.448 -8.056 1.00 0.00 C ATOM 918 C ARG A 57 -6.199 1.092 -6.685 1.00 0.00 C ATOM 919 O ARG A 57 -5.816 2.221 -6.447 1.00 0.00 O ATOM 920 CB ARG A 57 -7.307 0.425 -8.828 1.00 0.00 C ATOM 921 CG ARG A 57 -7.775 1.853 -9.101 1.00 0.00 C ATOM 922 CD ARG A 57 -9.084 1.814 -9.890 1.00 0.00 C ATOM 923 NE ARG A 57 -10.157 1.213 -9.049 1.00 0.00 N ATOM 924 CZ ARG A 57 -11.344 1.011 -9.550 1.00 0.00 C ATOM 925 NH1 ARG A 57 -11.595 1.343 -10.788 1.00 0.00 N ATOM 926 NH2 ARG A 57 -12.283 0.480 -8.814 1.00 0.00 N ATOM 0 H ARG A 57 -6.124 -1.674 -8.245 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.245 1.027 -8.609 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.180 -0.111 -9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.063 -0.111 -8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.919 2.386 -8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.015 2.396 -9.662 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.368 2.822 -10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.953 1.231 -10.802 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.963 0.959 -8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.863 1.760 -11.363 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.523 1.185 -11.180 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.088 0.223 -7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.211 0.322 -9.207 1.00 0.00 H new ATOM 940 N VAL A 58 -6.809 0.379 -5.782 1.00 0.00 N ATOM 941 CA VAL A 58 -7.055 0.937 -4.425 1.00 0.00 C ATOM 942 C VAL A 58 -5.721 1.171 -3.713 1.00 0.00 C ATOM 943 O VAL A 58 -5.528 2.171 -3.054 1.00 0.00 O ATOM 944 CB VAL A 58 -7.914 -0.040 -3.623 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.025 0.446 -2.175 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.311 -0.110 -4.249 1.00 0.00 C ATOM 0 H VAL A 58 -7.150 -0.572 -5.926 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.580 1.888 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.456 -1.029 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.638 -0.251 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.030 0.502 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.486 1.434 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.929 -0.806 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.768 0.880 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.231 -0.454 -5.280 1.00 0.00 H new ATOM 956 N SER A 59 -4.808 0.251 -3.824 1.00 0.00 N ATOM 957 CA SER A 59 -3.499 0.419 -3.137 1.00 0.00 C ATOM 958 C SER A 59 -2.856 1.737 -3.568 1.00 0.00 C ATOM 959 O SER A 59 -2.279 2.446 -2.767 1.00 0.00 O ATOM 960 CB SER A 59 -2.577 -0.738 -3.517 1.00 0.00 C ATOM 961 OG SER A 59 -2.253 -0.645 -4.898 1.00 0.00 O ATOM 0 H SER A 59 -4.911 -0.610 -4.360 1.00 0.00 H new ATOM 0 HA SER A 59 -3.656 0.428 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.669 -0.707 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.065 -1.690 -3.309 1.00 0.00 H new ATOM 0 HG SER A 59 -3.054 -0.398 -5.406 1.00 0.00 H new ATOM 967 N ILE A 60 -2.945 2.075 -4.822 1.00 0.00 N ATOM 968 CA ILE A 60 -2.331 3.350 -5.286 1.00 0.00 C ATOM 969 C ILE A 60 -3.038 4.531 -4.614 1.00 0.00 C ATOM 970 O ILE A 60 -2.408 5.451 -4.125 1.00 0.00 O ATOM 971 CB ILE A 60 -2.493 3.455 -6.804 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.646 2.374 -7.478 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.031 4.836 -7.279 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.019 2.287 -8.956 1.00 0.00 C ATOM 0 H ILE A 60 -3.414 1.527 -5.544 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.273 3.368 -5.025 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.542 3.317 -7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.587 2.608 -7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.811 1.412 -6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.148 4.907 -8.360 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.633 5.607 -6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.983 4.979 -7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.417 1.517 -9.439 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.075 2.034 -9.050 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.832 3.248 -9.436 1.00 0.00 H new ATOM 986 N ALA A 61 -4.342 4.507 -4.579 1.00 0.00 N ATOM 987 CA ALA A 61 -5.093 5.623 -3.938 1.00 0.00 C ATOM 988 C ALA A 61 -4.850 5.607 -2.428 1.00 0.00 C ATOM 989 O ALA A 61 -4.526 6.612 -1.826 1.00 0.00 O ATOM 990 CB ALA A 61 -6.589 5.448 -4.213 1.00 0.00 C ATOM 0 H ALA A 61 -4.920 3.762 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.751 6.573 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.143 6.262 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.765 5.460 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.926 4.497 -3.801 1.00 0.00 H new ATOM 996 N CYS A 62 -5.001 4.467 -1.818 1.00 0.00 N ATOM 997 CA CYS A 62 -4.785 4.366 -0.349 1.00 0.00 C ATOM 998 C CYS A 62 -3.330 4.700 -0.025 1.00 0.00 C ATOM 999 O CYS A 62 -3.031 5.277 1.000 1.00 0.00 O ATOM 1000 CB CYS A 62 -5.099 2.942 0.110 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.862 2.609 -0.130 1.00 0.00 S ATOM 0 H CYS A 62 -5.266 3.595 -2.276 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.440 5.068 0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.502 2.226 -0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.834 2.820 1.160 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.447 2.512 1.027 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.425 4.337 -0.887 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.990 4.630 -0.622 1.00 0.00 C ATOM 1009 C ALA A 63 -0.798 6.140 -0.487 1.00 0.00 C ATOM 1010 O ALA A 63 -0.082 6.608 0.375 1.00 0.00 O ATOM 1011 CB ALA A 63 -0.142 4.109 -1.784 1.00 0.00 C ATOM 0 H ALA A 63 -2.616 3.851 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.681 4.140 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.909 4.323 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.281 3.032 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.449 4.600 -2.707 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.435 6.907 -1.327 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.284 8.385 -1.231 1.00 0.00 C ATOM 1019 C LYS A 64 -1.828 8.860 0.119 1.00 0.00 C ATOM 1020 O LYS A 64 -1.219 9.661 0.801 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.071 9.047 -2.363 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.416 8.705 -3.701 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.197 9.366 -4.837 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.504 9.078 -6.168 1.00 0.00 C ATOM 1025 NZ LYS A 64 -1.541 7.612 -6.440 1.00 0.00 N ATOM 0 H LYS A 64 -2.050 6.577 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.231 8.656 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.105 8.702 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.094 10.128 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.381 9.048 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.395 7.624 -3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.219 8.988 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.258 10.442 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.999 9.621 -6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.472 9.427 -6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.580 7.221 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.158 7.145 -5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.911 7.446 -7.398 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.970 8.363 0.508 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.566 8.768 1.813 1.00 0.00 C ATOM 1041 C ILE A 65 -2.691 8.231 2.957 1.00 0.00 C ATOM 1042 O ILE A 65 -2.424 8.917 3.922 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.999 8.196 1.912 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.977 9.058 1.079 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.463 8.185 3.378 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -5.911 8.657 -0.399 1.00 0.00 C ATOM 0 H ILE A 65 -3.519 7.689 -0.026 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.612 9.855 1.887 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.991 7.178 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.993 8.931 1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.727 10.113 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.473 7.780 3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.789 7.565 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.456 9.202 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.604 9.271 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.898 8.807 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.184 7.607 -0.504 1.00 0.00 H new ATOM 1058 N ILE A 66 -2.255 7.005 2.857 1.00 0.00 N ATOM 1059 CA ILE A 66 -1.412 6.417 3.940 1.00 0.00 C ATOM 1060 C ILE A 66 -0.110 7.214 4.063 1.00 0.00 C ATOM 1061 O ILE A 66 0.325 7.545 5.147 1.00 0.00 O ATOM 1062 CB ILE A 66 -1.093 4.957 3.578 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -2.380 4.099 3.643 1.00 0.00 C ATOM 1064 CG2 ILE A 66 -0.026 4.400 4.532 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.666 3.616 5.075 1.00 0.00 C ATOM 0 H ILE A 66 -2.446 6.383 2.071 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.944 6.455 4.890 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.703 4.920 2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.226 4.682 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.278 3.239 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.194 3.365 4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.883 4.996 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.396 4.442 5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.577 3.017 5.082 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.831 3.011 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.793 4.477 5.731 1.00 0.00 H new ATOM 1077 N ILE A 67 0.514 7.531 2.963 1.00 0.00 N ATOM 1078 CA ILE A 67 1.782 8.311 3.027 1.00 0.00 C ATOM 1079 C ILE A 67 1.501 9.702 3.602 1.00 0.00 C ATOM 1080 O ILE A 67 2.218 10.190 4.452 1.00 0.00 O ATOM 1081 CB ILE A 67 2.353 8.439 1.614 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.822 7.064 1.136 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.536 9.411 1.613 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.071 7.107 -0.370 1.00 0.00 C ATOM 0 H ILE A 67 0.202 7.284 2.024 1.00 0.00 H new ATOM 0 HA ILE A 67 2.500 7.802 3.669 1.00 0.00 H new ATOM 0 HB ILE A 67 1.581 8.820 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.735 6.777 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.071 6.310 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.936 9.496 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.202 10.391 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.313 9.039 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.405 6.127 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.148 7.375 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.838 7.849 -0.591 1.00 0.00 H new ATOM 1096 N ASP A 68 0.461 10.342 3.143 1.00 0.00 N ATOM 1097 CA ASP A 68 0.131 11.701 3.658 1.00 0.00 C ATOM 1098 C ASP A 68 -0.291 11.609 5.127 1.00 0.00 C ATOM 1099 O ASP A 68 0.221 12.311 5.978 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.016 12.283 2.830 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.364 13.681 3.342 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -0.809 14.075 4.353 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.180 14.333 2.712 1.00 0.00 O ATOM 0 H ASP A 68 -0.176 9.982 2.432 1.00 0.00 H new ATOM 0 HA ASP A 68 1.007 12.345 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.731 12.331 1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.889 11.634 2.894 1.00 0.00 H new ATOM 1108 N SER A 69 -1.221 10.748 5.430 1.00 0.00 N ATOM 1109 CA SER A 69 -1.678 10.608 6.840 1.00 0.00 C ATOM 1110 C SER A 69 -0.508 10.149 7.708 1.00 0.00 C ATOM 1111 O SER A 69 -0.315 10.620 8.811 1.00 0.00 O ATOM 1112 CB SER A 69 -2.809 9.582 6.911 1.00 0.00 C ATOM 1113 OG SER A 69 -3.897 10.031 6.114 1.00 0.00 O ATOM 0 H SER A 69 -1.685 10.134 4.761 1.00 0.00 H new ATOM 0 HA SER A 69 -2.043 11.569 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.459 8.612 6.557 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.130 9.448 7.944 1.00 0.00 H new ATOM 0 HG SER A 69 -3.732 9.801 5.176 1.00 0.00 H new ATOM 1119 N HIS A 70 0.276 9.234 7.215 1.00 0.00 N ATOM 1120 CA HIS A 70 1.435 8.736 8.005 1.00 0.00 C ATOM 1121 C HIS A 70 2.289 9.922 8.459 1.00 0.00 C ATOM 1122 O HIS A 70 2.724 9.989 9.591 1.00 0.00 O ATOM 1123 CB HIS A 70 2.271 7.798 7.123 1.00 0.00 C ATOM 1124 CG HIS A 70 3.584 7.496 7.793 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.876 7.793 7.444 1.00 0.00 N flip ATOM 1126 CD2 HIS A 70 3.662 6.814 8.996 1.00 0.00 C flip ATOM 1127 CE1 HIS A 70 5.746 7.306 8.413 1.00 0.00 C flip ATOM 1128 NE2 HIS A 70 4.963 6.725 9.325 1.00 0.00 N flip ATOM 0 H HIS A 70 0.164 8.808 6.295 1.00 0.00 H new ATOM 0 HA HIS A 70 1.083 8.195 8.883 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.724 6.873 6.942 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.447 8.260 6.151 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.156 8.295 6.602 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.831 6.425 9.565 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.823 7.381 8.425 1.00 0.00 H new ATOM 1136 N LEU A 71 2.532 10.854 7.587 1.00 0.00 N ATOM 1137 CA LEU A 71 3.360 12.030 7.971 1.00 0.00 C ATOM 1138 C LEU A 71 2.654 12.805 9.085 1.00 0.00 C ATOM 1139 O LEU A 71 3.271 13.248 10.034 1.00 0.00 O ATOM 1140 CB LEU A 71 3.541 12.930 6.748 1.00 0.00 C ATOM 1141 CG LEU A 71 4.423 12.227 5.705 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.317 12.980 4.378 1.00 0.00 C ATOM 1143 CD2 LEU A 71 5.894 12.203 6.165 1.00 0.00 C ATOM 0 H LEU A 71 2.194 10.855 6.625 1.00 0.00 H new ATOM 0 HA LEU A 71 4.335 11.699 8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.570 13.168 6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.997 13.874 7.045 1.00 0.00 H new ATOM 0 HG LEU A 71 4.081 11.199 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.940 12.489 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.280 12.982 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.656 14.007 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.502 11.701 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.251 13.224 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.971 11.667 7.111 1.00 0.00 H new ATOM 1155 N ASP A 72 1.360 12.973 8.975 1.00 0.00 N ATOM 1156 CA ASP A 72 0.597 13.722 10.023 1.00 0.00 C ATOM 1157 C ASP A 72 -0.080 12.735 10.986 1.00 0.00 C ATOM 1158 O ASP A 72 -0.987 13.089 11.712 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.458 14.603 9.346 1.00 0.00 C ATOM 1160 CG ASP A 72 -1.474 13.730 8.603 1.00 0.00 C ATOM 1161 OD1 ASP A 72 -1.962 12.784 9.195 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.743 14.024 7.450 1.00 0.00 O ATOM 0 H ASP A 72 0.796 12.622 8.201 1.00 0.00 H new ATOM 0 HA ASP A 72 1.282 14.350 10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.967 15.213 10.092 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.023 15.289 8.649 1.00 0.00 H new ATOM 1167 N ARG A 73 0.349 11.497 10.990 1.00 0.00 N ATOM 1168 CA ARG A 73 -0.278 10.494 11.902 1.00 0.00 C ATOM 1169 C ARG A 73 0.673 9.308 12.117 1.00 0.00 C ATOM 1170 O ARG A 73 1.128 8.684 11.180 1.00 0.00 O ATOM 1171 CB ARG A 73 -1.589 9.990 11.291 1.00 0.00 C ATOM 1172 CG ARG A 73 -2.374 9.213 12.348 1.00 0.00 C ATOM 1173 CD ARG A 73 -3.704 8.740 11.759 1.00 0.00 C ATOM 1174 NE ARG A 73 -4.527 8.125 12.834 1.00 0.00 N ATOM 1175 CZ ARG A 73 -5.704 7.638 12.555 1.00 0.00 C ATOM 1176 NH1 ARG A 73 -6.156 7.691 11.332 1.00 0.00 N ATOM 1177 NH2 ARG A 73 -6.428 7.095 13.496 1.00 0.00 N ATOM 0 H ARG A 73 1.103 11.140 10.403 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.480 10.969 12.862 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.180 10.830 10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.381 9.351 10.433 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.792 8.357 12.691 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.555 9.845 13.218 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.237 9.580 11.313 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.526 8.017 10.963 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.171 8.084 13.789 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.589 8.113 10.597 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.076 7.311 11.112 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.073 7.051 14.451 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.348 6.715 13.276 1.00 0.00 H new ATOM 1191 N HIS A 74 0.969 8.999 13.354 1.00 0.00 N ATOM 1192 CA HIS A 74 1.883 7.856 13.659 1.00 0.00 C ATOM 1193 C HIS A 74 3.100 7.888 12.735 1.00 0.00 C ATOM 1194 O HIS A 74 3.073 7.375 11.633 1.00 0.00 O ATOM 1195 CB HIS A 74 1.137 6.536 13.470 1.00 0.00 C ATOM 1196 CG HIS A 74 -0.181 6.601 14.189 1.00 0.00 C ATOM 1197 ND1 HIS A 74 -0.337 7.287 15.383 1.00 0.00 N ATOM 1198 CD2 HIS A 74 -1.410 6.067 13.898 1.00 0.00 C ATOM 1199 CE1 HIS A 74 -1.620 7.149 15.763 1.00 0.00 C ATOM 1200 NE2 HIS A 74 -2.319 6.414 14.893 1.00 0.00 N ATOM 0 H HIS A 74 0.614 9.494 14.172 1.00 0.00 H new ATOM 0 HA HIS A 74 2.219 7.943 14.692 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.976 6.345 12.409 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.734 5.710 13.856 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.638 5.468 13.029 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.035 7.580 16.662 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.306 6.162 14.947 1.00 0.00 H new ATOM 1208 N ASP A 75 4.173 8.484 13.182 1.00 0.00 N ATOM 1209 CA ASP A 75 5.406 8.545 12.346 1.00 0.00 C ATOM 1210 C ASP A 75 6.172 7.226 12.479 1.00 0.00 C ATOM 1211 O ASP A 75 7.163 6.997 11.813 1.00 0.00 O ATOM 1212 CB ASP A 75 6.289 9.698 12.829 1.00 0.00 C ATOM 1213 CG ASP A 75 5.611 11.030 12.504 1.00 0.00 C ATOM 1214 OD1 ASP A 75 4.685 11.023 11.708 1.00 0.00 O ATOM 1215 OD2 ASP A 75 6.028 12.036 13.055 1.00 0.00 O ATOM 0 H ASP A 75 4.248 8.933 14.095 1.00 0.00 H new ATOM 0 HA ASP A 75 5.135 8.706 11.303 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.458 9.616 13.903 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.266 9.648 12.348 1.00 0.00 H new ATOM 1220 N GLN A 76 5.712 6.357 13.338 1.00 0.00 N ATOM 1221 CA GLN A 76 6.397 5.045 13.529 1.00 0.00 C ATOM 1222 C GLN A 76 6.257 4.194 12.261 1.00 0.00 C ATOM 1223 O GLN A 76 7.140 3.444 11.898 1.00 0.00 O ATOM 1224 CB GLN A 76 5.752 4.313 14.718 1.00 0.00 C ATOM 1225 CG GLN A 76 6.720 3.267 15.279 1.00 0.00 C ATOM 1226 CD GLN A 76 6.962 2.180 14.230 1.00 0.00 C ATOM 1227 OE1 GLN A 76 6.031 1.680 13.631 1.00 0.00 O ATOM 1228 NE2 GLN A 76 8.183 1.789 13.984 1.00 0.00 N ATOM 0 H GLN A 76 4.886 6.500 13.919 1.00 0.00 H new ATOM 0 HA GLN A 76 7.456 5.211 13.728 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.487 5.029 15.496 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.827 3.831 14.400 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.663 3.739 15.553 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.309 2.826 16.187 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.964 2.209 14.487 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.356 1.063 13.288 1.00 0.00 H new ATOM 1237 N GLY A 77 5.137 4.296 11.598 1.00 0.00 N ATOM 1238 CA GLY A 77 4.902 3.488 10.365 1.00 0.00 C ATOM 1239 C GLY A 77 6.133 3.498 9.452 1.00 0.00 C ATOM 1240 O GLY A 77 7.050 2.721 9.621 1.00 0.00 O ATOM 0 H GLY A 77 4.366 4.911 11.860 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.659 2.462 10.641 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.042 3.885 9.825 1.00 0.00 H new ATOM 1244 N LEU A 78 6.144 4.351 8.462 1.00 0.00 N ATOM 1245 CA LEU A 78 7.294 4.384 7.512 1.00 0.00 C ATOM 1246 C LEU A 78 8.515 5.017 8.182 1.00 0.00 C ATOM 1247 O LEU A 78 9.279 5.730 7.561 1.00 0.00 O ATOM 1248 CB LEU A 78 6.898 5.192 6.277 1.00 0.00 C ATOM 1249 CG LEU A 78 5.560 4.671 5.734 1.00 0.00 C ATOM 1250 CD1 LEU A 78 5.160 5.479 4.498 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.686 3.185 5.363 1.00 0.00 C ATOM 0 H LEU A 78 5.405 5.027 8.270 1.00 0.00 H new ATOM 0 HA LEU A 78 7.550 3.366 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.813 6.248 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.670 5.110 5.512 1.00 0.00 H new ATOM 0 HG LEU A 78 4.795 4.781 6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.210 5.109 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.057 6.530 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.928 5.375 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.732 2.824 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.454 3.065 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.961 2.611 6.248 1.00 0.00 H new ATOM 1263 N ALA A 79 8.707 4.754 9.446 1.00 0.00 N ATOM 1264 CA ALA A 79 9.880 5.328 10.163 1.00 0.00 C ATOM 1265 C ALA A 79 11.175 4.752 9.582 1.00 0.00 C ATOM 1266 O ALA A 79 12.184 5.423 9.500 1.00 0.00 O ATOM 1267 CB ALA A 79 9.787 4.978 11.650 1.00 0.00 C ATOM 0 H ALA A 79 8.099 4.164 10.015 1.00 0.00 H new ATOM 0 HA ALA A 79 9.883 6.411 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.644 5.397 12.177 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.868 5.393 12.065 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.782 3.895 11.769 1.00 0.00 H new ATOM 1273 N ASP A 80 11.153 3.508 9.191 1.00 0.00 N ATOM 1274 CA ASP A 80 12.383 2.879 8.628 1.00 0.00 C ATOM 1275 C ASP A 80 12.778 3.617 7.348 1.00 0.00 C ATOM 1276 O ASP A 80 13.945 3.778 7.045 1.00 0.00 O ATOM 1277 CB ASP A 80 12.088 1.402 8.305 1.00 0.00 C ATOM 1278 CG ASP A 80 12.276 0.534 9.556 1.00 0.00 C ATOM 1279 OD1 ASP A 80 12.713 1.060 10.568 1.00 0.00 O ATOM 1280 OD2 ASP A 80 11.977 -0.645 9.481 1.00 0.00 O ATOM 0 H ASP A 80 10.336 2.899 9.237 1.00 0.00 H new ATOM 0 HA ASP A 80 13.199 2.938 9.348 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.068 1.301 7.934 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.751 1.057 7.512 1.00 0.00 H new ATOM 1285 N LEU A 81 11.816 4.064 6.589 1.00 0.00 N ATOM 1286 CA LEU A 81 12.134 4.785 5.324 1.00 0.00 C ATOM 1287 C LEU A 81 12.448 6.247 5.638 1.00 0.00 C ATOM 1288 O LEU A 81 12.788 7.020 4.765 1.00 0.00 O ATOM 1289 CB LEU A 81 10.930 4.711 4.385 1.00 0.00 C ATOM 1290 CG LEU A 81 10.460 3.260 4.269 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.243 3.195 3.345 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.591 2.392 3.697 1.00 0.00 C ATOM 0 H LEU A 81 10.821 3.961 6.790 1.00 0.00 H new ATOM 0 HA LEU A 81 12.998 4.324 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.122 5.337 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.198 5.097 3.402 1.00 0.00 H new ATOM 0 HG LEU A 81 10.188 2.886 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.905 2.162 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.440 3.806 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.515 3.570 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.252 1.359 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.869 2.761 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.456 2.439 4.359 1.00 0.00 H new ATOM 1304 N GLY A 82 12.342 6.631 6.880 1.00 0.00 N ATOM 1305 CA GLY A 82 12.640 8.041 7.251 1.00 0.00 C ATOM 1306 C GLY A 82 12.561 8.199 8.770 1.00 0.00 C ATOM 1307 O GLY A 82 11.478 8.473 9.262 1.00 0.00 O ATOM 1308 OXT GLY A 82 13.583 8.039 9.417 1.00 0.00 O ATOM 0 H GLY A 82 12.062 6.028 7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.633 8.319 6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.930 8.713 6.768 1.00 0.00 H new TER 1312 GLY A 82