USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 459 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 11 ASN : amide:sc= -5.11! C(o=-6.7!,f=-4.7!) USER MOD Set 1.2: A 64 HIS : no HE2:sc= -1.62 K(o=-6.7,f=-7.6!) USER MOD Single : A 1 VAL N :NH3+ 175:sc= -1.95 (180deg=-2.26) USER MOD Single : A 5 TYR OH : rot 132:sc= -1.82 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -126:sc= -1.77! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 27 THR OG1 : rot -148:sc= 0.745 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.13! X(o=-1.1!,f=-0.86) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0381 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.17! K(o=-1.2!,f=-0.11) USER MOD Single : A 41 LYS NZ :NH3+ -143:sc= -0.305 (180deg=-1.46!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0109 USER MOD Single : A 44 ASN : amide:sc= -3.94! C(o=-3.9!,f=-5.1!) USER MOD Single : A 49 TYR OH : rot 30:sc= -0.846 USER MOD Single : A 54 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.6) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc=-0.00508 (180deg=-0.122) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.261 -12.998 -6.602 1.00 0.00 N ATOM 2 CA VAL A 1 -0.531 -12.018 -5.759 1.00 0.00 C ATOM 3 C VAL A 1 -0.655 -10.724 -6.602 1.00 0.00 C ATOM 4 O VAL A 1 -0.952 -10.812 -7.782 1.00 0.00 O ATOM 5 CB VAL A 1 0.947 -12.512 -5.591 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.058 -13.776 -4.763 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.596 -12.739 -6.937 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.180 -13.946 -6.182 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.264 -12.729 -6.658 1.00 0.00 H new ATOM 0 H3 VAL A 1 -0.851 -13.007 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.906 -11.877 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 1 1.469 -11.719 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.105 -14.068 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.654 -13.595 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.494 -14.576 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.621 -13.081 -6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.035 -13.493 -7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.601 -11.806 -7.501 1.00 0.00 H new ATOM 19 N ARG A 2 -0.437 -9.562 -6.032 1.00 0.00 N ATOM 20 CA ARG A 2 -0.563 -8.297 -6.845 1.00 0.00 C ATOM 21 C ARG A 2 0.352 -7.200 -6.378 1.00 0.00 C ATOM 22 O ARG A 2 0.908 -7.346 -5.310 1.00 0.00 O ATOM 23 CB ARG A 2 -2.028 -7.756 -6.808 1.00 0.00 C ATOM 24 CG ARG A 2 -2.537 -7.475 -5.368 1.00 0.00 C ATOM 25 CD ARG A 2 -2.886 -8.798 -4.700 1.00 0.00 C ATOM 26 NE ARG A 2 -3.576 -8.650 -3.377 1.00 0.00 N ATOM 27 CZ ARG A 2 -4.674 -9.315 -3.150 1.00 0.00 C ATOM 28 NH1 ARG A 2 -4.862 -10.464 -3.724 1.00 0.00 N ATOM 29 NH2 ARG A 2 -5.561 -8.834 -2.352 1.00 0.00 N ATOM 0 H ARG A 2 -0.181 -9.429 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.278 -8.574 -7.860 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.085 -6.838 -7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.688 -8.480 -7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.772 -6.953 -4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.412 -6.826 -5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.525 -9.374 -5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.972 -9.374 -4.559 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.190 -8.035 -2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.152 -10.844 -4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.720 -10.987 -3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.404 -7.934 -1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.421 -9.353 -2.173 1.00 0.00 H new ATOM 43 N ASP A 3 0.458 -6.160 -7.159 1.00 0.00 N ATOM 44 CA ASP A 3 1.327 -5.015 -6.809 1.00 0.00 C ATOM 45 C ASP A 3 0.199 -3.988 -6.638 1.00 0.00 C ATOM 46 O ASP A 3 -0.628 -3.873 -7.532 1.00 0.00 O ATOM 47 CB ASP A 3 2.247 -4.746 -8.004 1.00 0.00 C ATOM 48 CG ASP A 3 2.900 -6.081 -8.400 1.00 0.00 C ATOM 49 OD1 ASP A 3 3.596 -6.590 -7.538 1.00 0.00 O ATOM 50 OD2 ASP A 3 2.665 -6.517 -9.515 1.00 0.00 O ATOM 0 H ASP A 3 -0.036 -6.060 -8.046 1.00 0.00 H new ATOM 0 HA ASP A 3 2.005 -5.081 -5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.679 -4.335 -8.839 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.008 -4.010 -7.743 1.00 0.00 H new ATOM 55 N ALA A 4 0.174 -3.300 -5.524 1.00 0.00 N ATOM 56 CA ALA A 4 -0.902 -2.283 -5.290 1.00 0.00 C ATOM 57 C ALA A 4 -0.633 -1.454 -4.015 1.00 0.00 C ATOM 58 O ALA A 4 0.308 -1.703 -3.277 1.00 0.00 O ATOM 59 CB ALA A 4 -2.220 -2.995 -5.127 1.00 0.00 C ATOM 0 H ALA A 4 0.850 -3.397 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.921 -1.607 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.010 -2.264 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.441 -3.563 -6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.164 -3.674 -4.276 1.00 0.00 H new ATOM 65 N TYR A 5 -1.485 -0.476 -3.765 1.00 0.00 N ATOM 66 CA TYR A 5 -1.322 0.374 -2.553 1.00 0.00 C ATOM 67 C TYR A 5 -2.074 -0.449 -1.516 1.00 0.00 C ATOM 68 O TYR A 5 -3.200 -0.874 -1.732 1.00 0.00 O ATOM 69 CB TYR A 5 -2.025 1.701 -2.663 1.00 0.00 C ATOM 70 CG TYR A 5 -1.230 2.796 -3.387 1.00 0.00 C ATOM 71 CD1 TYR A 5 0.078 3.068 -3.046 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.819 3.563 -4.364 1.00 0.00 C ATOM 73 CE1 TYR A 5 0.771 4.075 -3.670 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.121 4.567 -4.985 1.00 0.00 C ATOM 75 CZ TYR A 5 0.180 4.839 -4.641 1.00 0.00 C ATOM 76 OH TYR A 5 0.875 5.857 -5.257 1.00 0.00 O ATOM 0 H TYR A 5 -2.283 -0.238 -4.354 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.275 0.599 -2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.970 1.553 -3.186 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.267 2.052 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.563 2.482 -2.279 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.844 3.373 -4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.797 4.268 -3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.601 5.152 -5.755 1.00 0.00 H new ATOM 0 HH TYR A 5 0.764 5.788 -6.228 1.00 0.00 H new ATOM 86 N ILE A 6 -1.438 -0.618 -0.404 1.00 0.00 N ATOM 87 CA ILE A 6 -2.071 -1.416 0.669 1.00 0.00 C ATOM 88 C ILE A 6 -3.117 -0.645 1.485 1.00 0.00 C ATOM 89 O ILE A 6 -3.043 0.548 1.727 1.00 0.00 O ATOM 90 CB ILE A 6 -0.902 -1.963 1.555 1.00 0.00 C ATOM 91 CG1 ILE A 6 -1.412 -2.753 2.788 1.00 0.00 C ATOM 92 CG2 ILE A 6 0.077 -0.894 1.981 1.00 0.00 C ATOM 93 CD1 ILE A 6 -0.892 -4.167 2.764 1.00 0.00 C ATOM 0 H ILE A 6 -0.514 -0.243 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.650 -2.229 0.231 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.362 -2.655 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.090 -2.257 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.502 -2.761 2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.861 -1.341 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.522 -0.436 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.445 -0.133 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.261 -4.705 3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.236 -4.666 1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.198 -4.154 2.779 1.00 0.00 H new ATOM 105 N ALA A 7 -4.085 -1.442 1.856 1.00 0.00 N ATOM 106 CA ALA A 7 -5.259 -1.000 2.667 1.00 0.00 C ATOM 107 C ALA A 7 -4.887 -0.423 4.013 1.00 0.00 C ATOM 108 O ALA A 7 -3.810 -0.690 4.511 1.00 0.00 O ATOM 109 CB ALA A 7 -6.163 -2.186 2.891 1.00 0.00 C ATOM 0 H ALA A 7 -4.109 -2.433 1.616 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.750 -0.206 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.026 -1.879 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.501 -2.573 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.617 -2.965 3.423 1.00 0.00 H new ATOM 115 N LYS A 8 -5.787 0.352 4.552 1.00 0.00 N ATOM 116 CA LYS A 8 -5.538 0.957 5.871 1.00 0.00 C ATOM 117 C LYS A 8 -6.728 0.628 6.783 1.00 0.00 C ATOM 118 O LYS A 8 -6.638 -0.196 7.673 1.00 0.00 O ATOM 119 CB LYS A 8 -5.396 2.443 5.671 1.00 0.00 C ATOM 120 CG LYS A 8 -4.295 3.021 6.550 1.00 0.00 C ATOM 121 CD LYS A 8 -4.503 2.644 8.029 1.00 0.00 C ATOM 122 CE LYS A 8 -3.244 3.079 8.759 1.00 0.00 C ATOM 123 NZ LYS A 8 -3.176 2.443 10.118 1.00 0.00 N ATOM 0 H LYS A 8 -6.684 0.587 4.127 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.630 0.571 6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.174 2.651 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.342 2.934 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.326 2.653 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.278 4.106 6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.382 3.143 8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.665 1.572 8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.365 2.801 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.231 4.164 8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.309 2.752 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.005 2.728 10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.166 1.408 10.017 1.00 0.00 H new ATOM 137 N ASN A 9 -7.821 1.299 6.516 1.00 0.00 N ATOM 138 CA ASN A 9 -9.053 1.083 7.326 1.00 0.00 C ATOM 139 C ASN A 9 -10.347 0.986 6.482 1.00 0.00 C ATOM 140 O ASN A 9 -10.866 -0.093 6.276 1.00 0.00 O ATOM 141 CB ASN A 9 -9.102 2.254 8.353 1.00 0.00 C ATOM 142 CG ASN A 9 -9.575 1.713 9.694 1.00 0.00 C ATOM 143 OD1 ASN A 9 -10.629 1.123 9.765 1.00 0.00 O ATOM 144 ND2 ASN A 9 -8.856 1.882 10.768 1.00 0.00 N ATOM 0 H ASN A 9 -7.910 1.988 5.769 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.006 0.115 7.825 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.116 2.707 8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.777 3.035 8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.183 1.518 11.663 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.967 2.379 10.713 1.00 0.00 H new ATOM 151 N TYR A 10 -10.821 2.091 5.959 1.00 0.00 N ATOM 152 CA TYR A 10 -12.078 2.126 5.138 1.00 0.00 C ATOM 153 C TYR A 10 -11.907 2.498 3.651 1.00 0.00 C ATOM 154 O TYR A 10 -12.353 3.494 3.104 1.00 0.00 O ATOM 155 CB TYR A 10 -13.056 3.102 5.828 1.00 0.00 C ATOM 156 CG TYR A 10 -14.002 2.370 6.811 1.00 0.00 C ATOM 157 CD1 TYR A 10 -13.567 1.742 7.960 1.00 0.00 C ATOM 158 CD2 TYR A 10 -15.351 2.338 6.518 1.00 0.00 C ATOM 159 CE1 TYR A 10 -14.469 1.096 8.788 1.00 0.00 C ATOM 160 CE2 TYR A 10 -16.247 1.692 7.344 1.00 0.00 C ATOM 161 CZ TYR A 10 -15.817 1.062 8.486 1.00 0.00 C ATOM 162 OH TYR A 10 -16.721 0.409 9.302 1.00 0.00 O ATOM 0 H TYR A 10 -10.375 3.001 6.070 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.456 1.104 5.103 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -12.491 3.863 6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.647 3.619 5.072 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -12.518 1.754 8.215 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -15.711 2.828 5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -14.113 0.611 9.685 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.297 1.682 7.090 1.00 0.00 H new ATOM 0 HH TYR A 10 -17.622 0.495 8.926 1.00 0.00 H new ATOM 172 N ASN A 11 -11.207 1.593 3.036 1.00 0.00 N ATOM 173 CA ASN A 11 -10.891 1.688 1.565 1.00 0.00 C ATOM 174 C ASN A 11 -9.861 2.781 1.347 1.00 0.00 C ATOM 175 O ASN A 11 -9.798 3.440 0.325 1.00 0.00 O ATOM 176 CB ASN A 11 -12.200 1.996 0.798 1.00 0.00 C ATOM 177 CG ASN A 11 -12.469 1.083 -0.383 1.00 0.00 C ATOM 178 OD1 ASN A 11 -13.602 0.761 -0.663 1.00 0.00 O ATOM 179 ND2 ASN A 11 -11.494 0.645 -1.111 1.00 0.00 N ATOM 0 H ASN A 11 -10.825 0.765 3.493 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.478 0.749 1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.037 1.927 1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.164 3.026 0.443 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.685 0.038 -1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.534 0.907 -0.888 1.00 0.00 H new ATOM 186 N CYS A 12 -9.062 2.913 2.363 1.00 0.00 N ATOM 187 CA CYS A 12 -7.987 3.922 2.340 1.00 0.00 C ATOM 188 C CYS A 12 -6.686 3.151 2.436 1.00 0.00 C ATOM 189 O CYS A 12 -6.704 1.960 2.689 1.00 0.00 O ATOM 190 CB CYS A 12 -8.169 4.851 3.499 1.00 0.00 C ATOM 191 SG CYS A 12 -7.630 6.530 3.132 1.00 0.00 S ATOM 0 H CYS A 12 -9.113 2.356 3.216 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.995 4.529 1.435 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.220 4.866 3.787 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.610 4.473 4.355 1.00 0.00 H new ATOM 196 N VAL A 13 -5.632 3.869 2.248 1.00 0.00 N ATOM 197 CA VAL A 13 -4.250 3.296 2.273 1.00 0.00 C ATOM 198 C VAL A 13 -3.297 3.905 3.312 1.00 0.00 C ATOM 199 O VAL A 13 -3.754 4.598 4.194 1.00 0.00 O ATOM 200 CB VAL A 13 -3.702 3.459 0.852 1.00 0.00 C ATOM 201 CG1 VAL A 13 -4.543 2.674 -0.117 1.00 0.00 C ATOM 202 CG2 VAL A 13 -3.744 4.900 0.392 1.00 0.00 C ATOM 0 H VAL A 13 -5.660 4.873 2.070 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.314 2.254 2.588 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.671 3.105 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.146 2.796 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.523 1.619 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.570 3.038 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.346 4.970 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.774 5.255 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.142 5.513 1.062 1.00 0.00 H new ATOM 212 N TYR A 14 -2.021 3.641 3.178 1.00 0.00 N ATOM 213 CA TYR A 14 -1.011 4.176 4.128 1.00 0.00 C ATOM 214 C TYR A 14 -0.411 5.469 3.558 1.00 0.00 C ATOM 215 O TYR A 14 -0.723 5.849 2.451 1.00 0.00 O ATOM 216 CB TYR A 14 0.069 3.118 4.298 1.00 0.00 C ATOM 217 CG TYR A 14 -0.338 2.084 5.372 1.00 0.00 C ATOM 218 CD1 TYR A 14 -1.076 0.962 5.061 1.00 0.00 C ATOM 219 CD2 TYR A 14 0.043 2.275 6.688 1.00 0.00 C ATOM 220 CE1 TYR A 14 -1.427 0.059 6.038 1.00 0.00 C ATOM 221 CE2 TYR A 14 -0.313 1.367 7.664 1.00 0.00 C ATOM 222 CZ TYR A 14 -1.050 0.252 7.339 1.00 0.00 C ATOM 223 OH TYR A 14 -1.410 -0.662 8.306 1.00 0.00 O ATOM 0 H TYR A 14 -1.634 3.064 2.432 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.463 4.405 5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.242 2.613 3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.008 3.593 4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.382 0.790 4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.626 3.144 6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.007 -0.813 5.775 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.012 1.532 8.688 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.060 -0.374 9.175 1.00 0.00 H new ATOM 233 N GLU A 15 0.408 6.103 4.346 1.00 0.00 N ATOM 234 CA GLU A 15 1.074 7.361 3.929 1.00 0.00 C ATOM 235 C GLU A 15 2.524 7.218 4.435 1.00 0.00 C ATOM 236 O GLU A 15 2.771 7.409 5.609 1.00 0.00 O ATOM 237 CB GLU A 15 0.332 8.543 4.600 1.00 0.00 C ATOM 238 CG GLU A 15 0.931 9.886 4.138 1.00 0.00 C ATOM 239 CD GLU A 15 0.183 11.052 4.788 1.00 0.00 C ATOM 240 OE1 GLU A 15 -1.008 11.125 4.524 1.00 0.00 O ATOM 241 OE2 GLU A 15 0.850 11.789 5.498 1.00 0.00 O ATOM 0 H GLU A 15 0.648 5.791 5.287 1.00 0.00 H new ATOM 0 HA GLU A 15 1.062 7.544 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.728 8.505 4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.406 8.458 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.988 9.931 4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.870 9.965 3.053 1.00 0.00 H new ATOM 248 N CYS A 16 3.452 6.867 3.587 1.00 0.00 N ATOM 249 CA CYS A 16 4.862 6.730 4.055 1.00 0.00 C ATOM 250 C CYS A 16 5.805 7.513 3.158 1.00 0.00 C ATOM 251 O CYS A 16 5.601 7.624 1.961 1.00 0.00 O ATOM 252 CB CYS A 16 5.215 5.247 4.069 1.00 0.00 C ATOM 253 SG CYS A 16 4.672 4.192 2.705 1.00 0.00 S ATOM 0 H CYS A 16 3.298 6.670 2.598 1.00 0.00 H new ATOM 0 HA CYS A 16 4.966 7.140 5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.301 5.170 4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.813 4.824 4.990 1.00 0.00 H new ATOM 258 N PHE A 17 6.830 8.031 3.778 1.00 0.00 N ATOM 259 CA PHE A 17 7.833 8.828 3.013 1.00 0.00 C ATOM 260 C PHE A 17 9.201 8.151 2.997 1.00 0.00 C ATOM 261 O PHE A 17 10.186 8.767 2.635 1.00 0.00 O ATOM 262 CB PHE A 17 7.946 10.234 3.643 1.00 0.00 C ATOM 263 CG PHE A 17 6.615 11.015 3.599 1.00 0.00 C ATOM 264 CD1 PHE A 17 5.691 10.934 4.629 1.00 0.00 C ATOM 265 CD2 PHE A 17 6.320 11.822 2.517 1.00 0.00 C ATOM 266 CE1 PHE A 17 4.507 11.647 4.572 1.00 0.00 C ATOM 267 CE2 PHE A 17 5.136 12.532 2.464 1.00 0.00 C ATOM 268 CZ PHE A 17 4.225 12.443 3.489 1.00 0.00 C ATOM 0 H PHE A 17 7.017 7.938 4.776 1.00 0.00 H new ATOM 0 HA PHE A 17 7.495 8.905 1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.272 10.139 4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.714 10.802 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.897 10.308 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.024 11.899 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.799 11.577 5.385 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.925 13.161 1.612 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.297 12.993 3.443 1.00 0.00 H new ATOM 278 N ARG A 18 9.222 6.904 3.400 1.00 0.00 N ATOM 279 CA ARG A 18 10.485 6.093 3.438 1.00 0.00 C ATOM 280 C ARG A 18 10.245 4.703 2.875 1.00 0.00 C ATOM 281 O ARG A 18 9.566 3.876 3.456 1.00 0.00 O ATOM 282 CB ARG A 18 11.049 5.864 4.869 1.00 0.00 C ATOM 283 CG ARG A 18 11.972 7.001 5.354 1.00 0.00 C ATOM 284 CD ARG A 18 11.197 8.285 5.593 1.00 0.00 C ATOM 285 NE ARG A 18 11.722 9.319 4.635 1.00 0.00 N ATOM 286 CZ ARG A 18 12.909 9.852 4.714 1.00 0.00 C ATOM 287 NH1 ARG A 18 13.710 9.453 5.651 1.00 0.00 N ATOM 288 NH2 ARG A 18 13.247 10.764 3.849 1.00 0.00 N ATOM 0 H ARG A 18 8.393 6.398 3.714 1.00 0.00 H new ATOM 0 HA ARG A 18 11.196 6.676 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.218 5.759 5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.602 4.925 4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.470 6.699 6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 18 12.752 7.178 4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.131 8.123 5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.320 8.620 6.623 1.00 0.00 H new ATOM 0 HE ARG A 18 11.111 9.622 3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.407 8.735 6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.643 9.857 5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.587 11.050 3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.171 11.193 3.895 1.00 0.00 H new ATOM 302 N ASP A 19 10.829 4.493 1.740 1.00 0.00 N ATOM 303 CA ASP A 19 10.716 3.193 1.035 1.00 0.00 C ATOM 304 C ASP A 19 11.001 2.034 1.984 1.00 0.00 C ATOM 305 O ASP A 19 10.407 0.977 1.928 1.00 0.00 O ATOM 306 CB ASP A 19 11.705 3.241 -0.099 1.00 0.00 C ATOM 307 CG ASP A 19 11.278 2.303 -1.212 1.00 0.00 C ATOM 308 OD1 ASP A 19 10.109 2.435 -1.520 1.00 0.00 O ATOM 309 OD2 ASP A 19 12.107 1.546 -1.687 1.00 0.00 O ATOM 0 H ASP A 19 11.397 5.187 1.255 1.00 0.00 H new ATOM 0 HA ASP A 19 9.707 3.030 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.781 4.259 -0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.695 2.961 0.261 1.00 0.00 H new ATOM 314 N SER A 20 11.922 2.302 2.872 1.00 0.00 N ATOM 315 CA SER A 20 12.356 1.300 3.881 1.00 0.00 C ATOM 316 C SER A 20 11.156 0.785 4.656 1.00 0.00 C ATOM 317 O SER A 20 10.899 -0.403 4.689 1.00 0.00 O ATOM 318 CB SER A 20 13.405 1.996 4.805 1.00 0.00 C ATOM 319 OG SER A 20 12.797 3.216 5.243 1.00 0.00 O ATOM 0 H SER A 20 12.402 3.199 2.939 1.00 0.00 H new ATOM 0 HA SER A 20 12.813 0.430 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.660 1.361 5.653 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.331 2.193 4.265 1.00 0.00 H new ATOM 0 HG SER A 20 13.390 3.969 5.039 1.00 0.00 H new ATOM 325 N TYR A 21 10.469 1.721 5.254 1.00 0.00 N ATOM 326 CA TYR A 21 9.253 1.397 6.061 1.00 0.00 C ATOM 327 C TYR A 21 8.442 0.420 5.237 1.00 0.00 C ATOM 328 O TYR A 21 8.050 -0.616 5.723 1.00 0.00 O ATOM 329 CB TYR A 21 8.447 2.693 6.325 1.00 0.00 C ATOM 330 CG TYR A 21 7.304 2.482 7.344 1.00 0.00 C ATOM 331 CD1 TYR A 21 7.600 2.247 8.673 1.00 0.00 C ATOM 332 CD2 TYR A 21 5.975 2.537 6.960 1.00 0.00 C ATOM 333 CE1 TYR A 21 6.598 2.075 9.603 1.00 0.00 C ATOM 334 CE2 TYR A 21 4.975 2.364 7.899 1.00 0.00 C ATOM 335 CZ TYR A 21 5.279 2.134 9.225 1.00 0.00 C ATOM 336 OH TYR A 21 4.277 1.982 10.164 1.00 0.00 O ATOM 0 H TYR A 21 10.702 2.713 5.218 1.00 0.00 H new ATOM 0 HA TYR A 21 9.510 0.965 7.028 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.120 3.467 6.694 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.030 3.055 5.385 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.632 2.197 8.987 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.719 2.715 5.926 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.852 1.892 10.637 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.941 2.410 7.590 1.00 0.00 H new ATOM 0 HH TYR A 21 3.404 2.053 9.725 1.00 0.00 H new ATOM 346 N CYS A 22 8.228 0.762 4.000 1.00 0.00 N ATOM 347 CA CYS A 22 7.431 -0.166 3.155 1.00 0.00 C ATOM 348 C CYS A 22 8.099 -1.498 3.024 1.00 0.00 C ATOM 349 O CYS A 22 7.454 -2.505 3.232 1.00 0.00 O ATOM 350 CB CYS A 22 7.230 0.321 1.747 1.00 0.00 C ATOM 351 SG CYS A 22 5.582 -0.210 1.251 1.00 0.00 S ATOM 0 H CYS A 22 8.558 1.615 3.548 1.00 0.00 H new ATOM 0 HA CYS A 22 6.472 -0.231 3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.320 1.406 1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.987 -0.093 1.082 1.00 0.00 H new ATOM 356 N ASN A 23 9.353 -1.478 2.675 1.00 0.00 N ATOM 357 CA ASN A 23 10.112 -2.759 2.521 1.00 0.00 C ATOM 358 C ASN A 23 9.886 -3.664 3.754 1.00 0.00 C ATOM 359 O ASN A 23 10.088 -4.860 3.691 1.00 0.00 O ATOM 360 CB ASN A 23 11.624 -2.506 2.391 1.00 0.00 C ATOM 361 CG ASN A 23 12.284 -3.850 2.083 1.00 0.00 C ATOM 362 OD1 ASN A 23 12.137 -4.446 1.035 1.00 0.00 O ATOM 363 ND2 ASN A 23 13.034 -4.367 2.993 1.00 0.00 N ATOM 0 H ASN A 23 9.890 -0.631 2.488 1.00 0.00 H new ATOM 0 HA ASN A 23 9.746 -3.242 1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.827 -1.787 1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.024 -2.084 3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.493 -5.263 2.827 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.169 -3.881 3.879 1.00 0.00 H new ATOM 370 N ASP A 24 9.480 -3.081 4.854 1.00 0.00 N ATOM 371 CA ASP A 24 9.218 -3.835 6.109 1.00 0.00 C ATOM 372 C ASP A 24 7.697 -4.106 6.205 1.00 0.00 C ATOM 373 O ASP A 24 7.229 -5.209 6.373 1.00 0.00 O ATOM 374 CB ASP A 24 9.710 -2.970 7.265 1.00 0.00 C ATOM 375 CG ASP A 24 10.799 -3.721 8.023 1.00 0.00 C ATOM 376 OD1 ASP A 24 11.889 -3.767 7.475 1.00 0.00 O ATOM 377 OD2 ASP A 24 10.474 -4.204 9.097 1.00 0.00 O ATOM 0 H ASP A 24 9.315 -2.077 4.931 1.00 0.00 H new ATOM 0 HA ASP A 24 9.734 -4.795 6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.099 -2.024 6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.883 -2.731 7.934 1.00 0.00 H new ATOM 382 N LEU A 25 6.931 -3.066 6.099 1.00 0.00 N ATOM 383 CA LEU A 25 5.428 -3.116 6.160 1.00 0.00 C ATOM 384 C LEU A 25 4.758 -4.165 5.262 1.00 0.00 C ATOM 385 O LEU A 25 3.911 -4.944 5.670 1.00 0.00 O ATOM 386 CB LEU A 25 4.921 -1.707 5.772 1.00 0.00 C ATOM 387 CG LEU A 25 3.364 -1.620 5.683 1.00 0.00 C ATOM 388 CD1 LEU A 25 2.805 -1.569 7.079 1.00 0.00 C ATOM 389 CD2 LEU A 25 2.935 -0.381 4.939 1.00 0.00 C ATOM 0 H LEU A 25 7.297 -2.124 5.964 1.00 0.00 H new ATOM 0 HA LEU A 25 5.157 -3.417 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.278 -0.984 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.350 -1.425 4.811 1.00 0.00 H new ATOM 0 HG LEU A 25 2.992 -2.493 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.718 -1.508 7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.096 -2.469 7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.196 -0.693 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.847 -0.344 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.305 0.502 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.342 -0.404 3.928 1.00 0.00 H new ATOM 401 N CYS A 26 5.165 -4.132 4.034 1.00 0.00 N ATOM 402 CA CYS A 26 4.590 -5.088 3.044 1.00 0.00 C ATOM 403 C CYS A 26 5.020 -6.510 3.319 1.00 0.00 C ATOM 404 O CYS A 26 4.231 -7.424 3.509 1.00 0.00 O ATOM 405 CB CYS A 26 5.048 -4.622 1.686 1.00 0.00 C ATOM 406 SG CYS A 26 4.391 -3.024 1.169 1.00 0.00 S ATOM 0 H CYS A 26 5.868 -3.490 3.666 1.00 0.00 H new ATOM 0 HA CYS A 26 3.502 -5.098 3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.137 -4.568 1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.765 -5.371 0.947 1.00 0.00 H new ATOM 411 N THR A 27 6.301 -6.662 3.334 1.00 0.00 N ATOM 412 CA THR A 27 6.889 -7.989 3.583 1.00 0.00 C ATOM 413 C THR A 27 6.220 -8.508 4.873 1.00 0.00 C ATOM 414 O THR A 27 5.792 -9.642 4.893 1.00 0.00 O ATOM 415 CB THR A 27 8.375 -7.712 3.633 1.00 0.00 C ATOM 416 OG1 THR A 27 8.419 -6.721 4.644 1.00 0.00 O ATOM 417 CG2 THR A 27 8.830 -7.056 2.341 1.00 0.00 C ATOM 0 H THR A 27 6.976 -5.912 3.182 1.00 0.00 H new ATOM 0 HA THR A 27 6.731 -8.776 2.846 1.00 0.00 H new ATOM 0 HB THR A 27 8.986 -8.601 3.792 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.153 -6.098 4.460 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.901 -6.862 2.389 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.619 -7.719 1.502 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.297 -6.116 2.203 1.00 0.00 H new ATOM 425 N LYS A 28 6.127 -7.695 5.901 1.00 0.00 N ATOM 426 CA LYS A 28 5.475 -8.122 7.183 1.00 0.00 C ATOM 427 C LYS A 28 4.098 -8.781 6.947 1.00 0.00 C ATOM 428 O LYS A 28 3.748 -9.744 7.603 1.00 0.00 O ATOM 429 CB LYS A 28 5.330 -6.889 8.069 1.00 0.00 C ATOM 430 CG LYS A 28 4.726 -7.240 9.474 1.00 0.00 C ATOM 431 CD LYS A 28 3.190 -7.050 9.481 1.00 0.00 C ATOM 432 CE LYS A 28 2.847 -5.543 9.379 1.00 0.00 C ATOM 433 NZ LYS A 28 1.552 -5.345 8.650 1.00 0.00 N ATOM 0 H LYS A 28 6.481 -6.738 5.906 1.00 0.00 H new ATOM 0 HA LYS A 28 6.099 -8.875 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.306 -6.421 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.691 -6.159 7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.970 -8.271 9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.178 -6.606 10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.744 -7.591 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.767 -7.468 10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.778 -5.112 10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.647 -5.017 8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.338 -4.329 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.630 -5.738 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.788 -5.830 9.162 1.00 0.00 H new ATOM 447 N ASN A 29 3.345 -8.245 6.023 1.00 0.00 N ATOM 448 CA ASN A 29 1.999 -8.848 5.759 1.00 0.00 C ATOM 449 C ASN A 29 2.197 -10.154 4.961 1.00 0.00 C ATOM 450 O ASN A 29 1.339 -11.020 4.945 1.00 0.00 O ATOM 451 CB ASN A 29 1.157 -7.840 4.956 1.00 0.00 C ATOM 452 CG ASN A 29 -0.323 -8.086 5.239 1.00 0.00 C ATOM 453 OD1 ASN A 29 -1.103 -7.163 5.336 1.00 0.00 O ATOM 454 ND2 ASN A 29 -0.785 -9.293 5.378 1.00 0.00 N ATOM 0 H ASN A 29 3.591 -7.437 5.451 1.00 0.00 H new ATOM 0 HA ASN A 29 1.481 -9.076 6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.428 -6.821 5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.359 -7.947 3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.777 -9.441 5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.155 -10.092 5.302 1.00 0.00 H new ATOM 461 N GLY A 30 3.335 -10.219 4.325 1.00 0.00 N ATOM 462 CA GLY A 30 3.743 -11.394 3.495 1.00 0.00 C ATOM 463 C GLY A 30 3.891 -10.965 2.043 1.00 0.00 C ATOM 464 O GLY A 30 3.672 -11.748 1.143 1.00 0.00 O ATOM 0 H GLY A 30 4.030 -9.473 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.685 -11.802 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.999 -12.186 3.577 1.00 0.00 H new ATOM 468 N ALA A 31 4.253 -9.734 1.819 1.00 0.00 N ATOM 469 CA ALA A 31 4.406 -9.262 0.412 1.00 0.00 C ATOM 470 C ALA A 31 5.742 -9.720 -0.116 1.00 0.00 C ATOM 471 O ALA A 31 6.651 -9.913 0.671 1.00 0.00 O ATOM 472 CB ALA A 31 4.392 -7.759 0.367 1.00 0.00 C ATOM 0 H ALA A 31 4.448 -9.039 2.539 1.00 0.00 H new ATOM 0 HA ALA A 31 3.586 -9.664 -0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.504 -7.425 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.447 -7.392 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.215 -7.369 0.966 1.00 0.00 H new ATOM 478 N SER A 32 5.824 -9.873 -1.411 1.00 0.00 N ATOM 479 CA SER A 32 7.126 -10.313 -1.987 1.00 0.00 C ATOM 480 C SER A 32 8.107 -9.167 -1.679 1.00 0.00 C ATOM 481 O SER A 32 9.182 -9.410 -1.167 1.00 0.00 O ATOM 482 CB SER A 32 6.920 -10.527 -3.477 1.00 0.00 C ATOM 483 OG SER A 32 7.951 -11.420 -3.873 1.00 0.00 O ATOM 0 H SER A 32 5.068 -9.717 -2.078 1.00 0.00 H new ATOM 0 HA SER A 32 7.513 -11.246 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.935 -10.947 -3.682 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.984 -9.585 -4.022 1.00 0.00 H new ATOM 0 HG SER A 32 7.874 -11.603 -4.833 1.00 0.00 H new ATOM 489 N SER A 33 7.704 -7.961 -1.992 1.00 0.00 N ATOM 490 CA SER A 33 8.618 -6.790 -1.713 1.00 0.00 C ATOM 491 C SER A 33 7.785 -5.552 -1.333 1.00 0.00 C ATOM 492 O SER A 33 6.605 -5.547 -1.632 1.00 0.00 O ATOM 493 CB SER A 33 9.475 -6.506 -2.989 1.00 0.00 C ATOM 494 OG SER A 33 10.310 -7.654 -3.132 1.00 0.00 O ATOM 0 H SER A 33 6.806 -7.730 -2.418 1.00 0.00 H new ATOM 0 HA SER A 33 9.279 -7.023 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.843 -6.365 -3.866 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.067 -5.598 -2.873 1.00 0.00 H new ATOM 0 HG SER A 33 10.881 -7.547 -3.921 1.00 0.00 H new ATOM 500 N GLY A 34 8.369 -4.551 -0.712 1.00 0.00 N ATOM 501 CA GLY A 34 7.577 -3.334 -0.345 1.00 0.00 C ATOM 502 C GLY A 34 8.320 -2.051 -0.735 1.00 0.00 C ATOM 503 O GLY A 34 9.519 -1.988 -0.559 1.00 0.00 O ATOM 0 H GLY A 34 9.353 -4.525 -0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.609 -3.363 -0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.383 -3.333 0.728 1.00 0.00 H new ATOM 507 N TYR A 35 7.596 -1.095 -1.263 1.00 0.00 N ATOM 508 CA TYR A 35 8.153 0.235 -1.689 1.00 0.00 C ATOM 509 C TYR A 35 7.031 1.201 -1.351 1.00 0.00 C ATOM 510 O TYR A 35 5.919 0.746 -1.230 1.00 0.00 O ATOM 511 CB TYR A 35 8.442 0.154 -3.198 1.00 0.00 C ATOM 512 CG TYR A 35 8.799 1.478 -3.890 1.00 0.00 C ATOM 513 CD1 TYR A 35 7.834 2.423 -4.136 1.00 0.00 C ATOM 514 CD2 TYR A 35 10.099 1.739 -4.269 1.00 0.00 C ATOM 515 CE1 TYR A 35 8.155 3.616 -4.739 1.00 0.00 C ATOM 516 CE2 TYR A 35 10.422 2.932 -4.880 1.00 0.00 C ATOM 517 CZ TYR A 35 9.448 3.880 -5.116 1.00 0.00 C ATOM 518 OH TYR A 35 9.756 5.095 -5.695 1.00 0.00 O ATOM 0 H TYR A 35 6.593 -1.185 -1.425 1.00 0.00 H new ATOM 0 HA TYR A 35 9.083 0.539 -1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.263 -0.546 -3.353 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.567 -0.267 -3.693 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.811 2.227 -3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.869 1.004 -4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.384 4.351 -4.917 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.443 3.125 -5.175 1.00 0.00 H new ATOM 0 HH TYR A 35 10.713 5.125 -5.903 1.00 0.00 H new ATOM 528 N CYS A 36 7.276 2.464 -1.212 1.00 0.00 N ATOM 529 CA CYS A 36 6.138 3.387 -0.877 1.00 0.00 C ATOM 530 C CYS A 36 5.930 4.217 -2.119 1.00 0.00 C ATOM 531 O CYS A 36 6.879 4.827 -2.573 1.00 0.00 O ATOM 532 CB CYS A 36 6.515 4.272 0.292 1.00 0.00 C ATOM 533 SG CYS A 36 6.402 3.504 1.923 1.00 0.00 S ATOM 0 H CYS A 36 8.191 2.904 -1.311 1.00 0.00 H new ATOM 0 HA CYS A 36 5.236 2.846 -0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.537 4.621 0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.872 5.152 0.280 1.00 0.00 H new ATOM 538 N GLN A 37 4.737 4.250 -2.645 1.00 0.00 N ATOM 539 CA GLN A 37 4.489 5.038 -3.871 1.00 0.00 C ATOM 540 C GLN A 37 3.500 6.156 -3.574 1.00 0.00 C ATOM 541 O GLN A 37 2.790 6.186 -2.579 1.00 0.00 O ATOM 542 CB GLN A 37 3.986 4.023 -4.915 1.00 0.00 C ATOM 543 CG GLN A 37 3.644 4.592 -6.307 1.00 0.00 C ATOM 544 CD GLN A 37 4.839 5.351 -6.856 1.00 0.00 C ATOM 545 OE1 GLN A 37 5.934 4.841 -6.975 1.00 0.00 O ATOM 546 NE2 GLN A 37 4.697 6.592 -7.207 1.00 0.00 N ATOM 0 H GLN A 37 3.923 3.761 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 37 5.378 5.541 -4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.747 3.252 -5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.097 3.534 -4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.372 3.783 -6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.781 5.254 -6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.788 7.046 -7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.494 7.113 -7.572 1.00 0.00 H new ATOM 555 N TRP A 38 3.474 7.075 -4.479 1.00 0.00 N ATOM 556 CA TRP A 38 2.556 8.213 -4.306 1.00 0.00 C ATOM 557 C TRP A 38 1.878 8.481 -5.625 1.00 0.00 C ATOM 558 O TRP A 38 2.491 8.337 -6.660 1.00 0.00 O ATOM 559 CB TRP A 38 3.387 9.458 -3.781 1.00 0.00 C ATOM 560 CG TRP A 38 4.863 9.420 -4.202 1.00 0.00 C ATOM 561 CD1 TRP A 38 5.327 9.287 -5.479 1.00 0.00 C ATOM 562 CD2 TRP A 38 5.952 9.512 -3.358 1.00 0.00 C ATOM 563 NE1 TRP A 38 6.639 9.301 -5.351 1.00 0.00 N ATOM 564 CE2 TRP A 38 7.113 9.425 -4.128 1.00 0.00 C ATOM 565 CE3 TRP A 38 6.080 9.654 -1.976 1.00 0.00 C ATOM 566 CZ2 TRP A 38 8.381 9.488 -3.544 1.00 0.00 C ATOM 567 CZ3 TRP A 38 7.349 9.721 -1.391 1.00 0.00 C ATOM 568 CH2 TRP A 38 8.498 9.630 -2.168 1.00 0.00 C ATOM 0 H TRP A 38 4.044 7.089 -5.325 1.00 0.00 H new ATOM 0 HA TRP A 38 1.780 8.002 -3.570 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.932 10.375 -4.156 1.00 0.00 H new ATOM 0 HB3 TRP A 38 3.327 9.494 -2.693 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.750 9.192 -6.387 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.257 9.220 -6.159 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.197 9.712 -1.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 9.266 9.427 -4.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 7.437 9.845 -0.322 1.00 0.00 H new ATOM 0 HH2 TRP A 38 9.473 9.669 -1.705 1.00 0.00 H new ATOM 579 N ALA A 39 0.621 8.838 -5.504 1.00 0.00 N ATOM 580 CA ALA A 39 -0.297 9.173 -6.636 1.00 0.00 C ATOM 581 C ALA A 39 -0.449 8.059 -7.703 1.00 0.00 C ATOM 582 O ALA A 39 0.135 8.143 -8.767 1.00 0.00 O ATOM 583 CB ALA A 39 0.211 10.440 -7.291 1.00 0.00 C ATOM 0 H ALA A 39 0.166 8.915 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.293 9.297 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.442 10.707 -8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.219 11.249 -6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.223 10.277 -7.663 1.00 0.00 H new ATOM 589 N GLY A 40 -1.222 7.032 -7.418 1.00 0.00 N ATOM 590 CA GLY A 40 -1.401 5.928 -8.437 1.00 0.00 C ATOM 591 C GLY A 40 -2.832 6.013 -8.958 1.00 0.00 C ATOM 592 O GLY A 40 -3.067 6.292 -10.120 1.00 0.00 O ATOM 0 H GLY A 40 -1.730 6.906 -6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.688 6.041 -9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.215 4.954 -7.984 1.00 0.00 H new ATOM 596 N LYS A 41 -3.759 5.759 -8.073 1.00 0.00 N ATOM 597 CA LYS A 41 -5.199 5.819 -8.444 1.00 0.00 C ATOM 598 C LYS A 41 -6.048 6.251 -7.225 1.00 0.00 C ATOM 599 O LYS A 41 -7.011 6.974 -7.390 1.00 0.00 O ATOM 600 CB LYS A 41 -5.571 4.429 -8.963 1.00 0.00 C ATOM 601 CG LYS A 41 -6.731 4.459 -9.992 1.00 0.00 C ATOM 602 CD LYS A 41 -6.373 5.378 -11.216 1.00 0.00 C ATOM 603 CE LYS A 41 -7.025 4.812 -12.495 1.00 0.00 C ATOM 604 NZ LYS A 41 -6.506 3.423 -12.729 1.00 0.00 N ATOM 0 H LYS A 41 -3.576 5.510 -7.101 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.394 6.562 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.695 3.972 -9.424 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.855 3.797 -8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.939 3.447 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.639 4.824 -9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.724 6.394 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.291 5.431 -11.340 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.110 4.797 -12.390 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.796 5.449 -13.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.385 3.265 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.590 3.310 -12.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.183 2.731 -12.349 1.00 0.00 H new ATOM 618 N TYR A 42 -5.668 5.800 -6.050 1.00 0.00 N ATOM 619 CA TYR A 42 -6.415 6.145 -4.781 1.00 0.00 C ATOM 620 C TYR A 42 -5.633 7.065 -3.807 1.00 0.00 C ATOM 621 O TYR A 42 -6.065 7.245 -2.682 1.00 0.00 O ATOM 622 CB TYR A 42 -6.787 4.818 -4.011 1.00 0.00 C ATOM 623 CG TYR A 42 -6.390 3.609 -4.839 1.00 0.00 C ATOM 624 CD1 TYR A 42 -7.164 3.222 -5.909 1.00 0.00 C ATOM 625 CD2 TYR A 42 -5.239 2.916 -4.551 1.00 0.00 C ATOM 626 CE1 TYR A 42 -6.785 2.153 -6.681 1.00 0.00 C ATOM 627 CE2 TYR A 42 -4.855 1.845 -5.329 1.00 0.00 C ATOM 628 CZ TYR A 42 -5.629 1.462 -6.400 1.00 0.00 C ATOM 629 OH TYR A 42 -5.279 0.388 -7.195 1.00 0.00 O ATOM 0 H TYR A 42 -4.858 5.196 -5.909 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.299 6.696 -5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.278 4.792 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.857 4.794 -3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.071 3.760 -6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.631 3.213 -3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.399 1.851 -7.516 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.947 1.307 -5.098 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.438 0.003 -6.872 1.00 0.00 H new ATOM 639 N GLY A 43 -4.526 7.618 -4.238 1.00 0.00 N ATOM 640 CA GLY A 43 -3.733 8.515 -3.347 1.00 0.00 C ATOM 641 C GLY A 43 -2.288 8.058 -3.295 1.00 0.00 C ATOM 642 O GLY A 43 -1.741 7.617 -4.292 1.00 0.00 O ATOM 0 H GLY A 43 -4.138 7.485 -5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.785 9.541 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.159 8.512 -2.344 1.00 0.00 H new ATOM 646 N ASN A 44 -1.693 8.177 -2.147 1.00 0.00 N ATOM 647 CA ASN A 44 -0.292 7.767 -1.971 1.00 0.00 C ATOM 648 C ASN A 44 -0.394 6.709 -0.905 1.00 0.00 C ATOM 649 O ASN A 44 -1.341 6.772 -0.146 1.00 0.00 O ATOM 650 CB ASN A 44 0.509 8.982 -1.493 1.00 0.00 C ATOM 651 CG ASN A 44 1.045 8.795 -0.065 1.00 0.00 C ATOM 652 OD1 ASN A 44 0.699 9.530 0.831 1.00 0.00 O ATOM 653 ND2 ASN A 44 1.886 7.833 0.201 1.00 0.00 N ATOM 0 H ASN A 44 -2.136 8.551 -1.308 1.00 0.00 H new ATOM 0 HA ASN A 44 0.204 7.399 -2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.343 9.156 -2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.123 9.869 -1.529 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.239 7.712 1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.190 7.202 -0.540 1.00 0.00 H new ATOM 660 N ALA A 45 0.560 5.820 -0.888 1.00 0.00 N ATOM 661 CA ALA A 45 0.583 4.749 0.113 1.00 0.00 C ATOM 662 C ALA A 45 1.696 3.794 -0.184 1.00 0.00 C ATOM 663 O ALA A 45 2.396 3.849 -1.181 1.00 0.00 O ATOM 664 CB ALA A 45 -0.683 3.928 0.094 1.00 0.00 C ATOM 0 H ALA A 45 1.338 5.802 -1.548 1.00 0.00 H new ATOM 0 HA ALA A 45 0.703 5.238 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.621 3.147 0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.537 4.571 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.806 3.472 -0.888 1.00 0.00 H new ATOM 670 N CYS A 46 1.803 2.904 0.749 1.00 0.00 N ATOM 671 CA CYS A 46 2.856 1.899 0.590 1.00 0.00 C ATOM 672 C CYS A 46 2.350 1.095 -0.586 1.00 0.00 C ATOM 673 O CYS A 46 1.178 0.784 -0.694 1.00 0.00 O ATOM 674 CB CYS A 46 2.945 1.065 1.814 1.00 0.00 C ATOM 675 SG CYS A 46 4.573 0.929 2.572 1.00 0.00 S ATOM 0 H CYS A 46 1.225 2.833 1.586 1.00 0.00 H new ATOM 0 HA CYS A 46 3.854 2.308 0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.256 1.470 2.555 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.597 0.061 1.570 1.00 0.00 H new ATOM 680 N TRP A 47 3.289 0.791 -1.402 1.00 0.00 N ATOM 681 CA TRP A 47 3.125 0.021 -2.650 1.00 0.00 C ATOM 682 C TRP A 47 3.701 -1.357 -2.315 1.00 0.00 C ATOM 683 O TRP A 47 4.905 -1.542 -2.241 1.00 0.00 O ATOM 684 CB TRP A 47 3.929 0.778 -3.728 1.00 0.00 C ATOM 685 CG TRP A 47 3.561 0.447 -5.169 1.00 0.00 C ATOM 686 CD1 TRP A 47 4.429 -0.009 -6.111 1.00 0.00 C ATOM 687 CD2 TRP A 47 2.329 0.557 -5.737 1.00 0.00 C ATOM 688 NE1 TRP A 47 3.682 -0.147 -7.186 1.00 0.00 N ATOM 689 CE2 TRP A 47 2.404 0.168 -7.068 1.00 0.00 C ATOM 690 CE3 TRP A 47 1.126 0.979 -5.213 1.00 0.00 C ATOM 691 CZ2 TRP A 47 1.253 0.200 -7.877 1.00 0.00 C ATOM 692 CZ3 TRP A 47 -0.015 1.017 -6.007 1.00 0.00 C ATOM 693 CH2 TRP A 47 0.042 0.626 -7.336 1.00 0.00 C ATOM 0 H TRP A 47 4.256 1.071 -1.240 1.00 0.00 H new ATOM 0 HA TRP A 47 2.106 -0.092 -3.020 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.794 1.848 -3.573 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.988 0.566 -3.583 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.484 -0.211 -6.003 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.071 -0.481 -8.068 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.069 1.282 -4.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.308 -0.104 -8.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -0.951 1.353 -5.586 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.847 0.652 -7.948 1.00 0.00 H new ATOM 704 N CYS A 48 2.822 -2.306 -2.131 1.00 0.00 N ATOM 705 CA CYS A 48 3.353 -3.648 -1.801 1.00 0.00 C ATOM 706 C CYS A 48 3.313 -4.377 -3.115 1.00 0.00 C ATOM 707 O CYS A 48 2.370 -4.214 -3.884 1.00 0.00 O ATOM 708 CB CYS A 48 2.461 -4.276 -0.729 1.00 0.00 C ATOM 709 SG CYS A 48 2.427 -3.379 0.841 1.00 0.00 S ATOM 0 H CYS A 48 1.808 -2.215 -2.192 1.00 0.00 H new ATOM 0 HA CYS A 48 4.362 -3.659 -1.388 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.444 -4.345 -1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.801 -5.295 -0.543 1.00 0.00 H new ATOM 714 N TYR A 49 4.352 -5.156 -3.281 1.00 0.00 N ATOM 715 CA TYR A 49 4.530 -5.954 -4.511 1.00 0.00 C ATOM 716 C TYR A 49 4.212 -7.388 -4.201 1.00 0.00 C ATOM 717 O TYR A 49 4.617 -7.930 -3.184 1.00 0.00 O ATOM 718 CB TYR A 49 5.990 -5.923 -5.020 1.00 0.00 C ATOM 719 CG TYR A 49 6.591 -4.525 -5.266 1.00 0.00 C ATOM 720 CD1 TYR A 49 6.344 -3.826 -6.428 1.00 0.00 C ATOM 721 CD2 TYR A 49 7.410 -3.957 -4.314 1.00 0.00 C ATOM 722 CE1 TYR A 49 6.921 -2.583 -6.616 1.00 0.00 C ATOM 723 CE2 TYR A 49 7.982 -2.725 -4.495 1.00 0.00 C ATOM 724 CZ TYR A 49 7.748 -2.027 -5.655 1.00 0.00 C ATOM 725 OH TYR A 49 8.313 -0.784 -5.892 1.00 0.00 O ATOM 0 H TYR A 49 5.097 -5.268 -2.593 1.00 0.00 H new ATOM 0 HA TYR A 49 3.874 -5.531 -5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.617 -6.444 -4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.041 -6.488 -5.951 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.703 -4.247 -7.188 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.606 -4.498 -3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.723 -2.038 -7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.615 -2.304 -3.728 1.00 0.00 H new ATOM 0 HH TYR A 49 7.716 -0.257 -6.463 1.00 0.00 H new ATOM 735 N ALA A 50 3.499 -7.934 -5.146 1.00 0.00 N ATOM 736 CA ALA A 50 3.031 -9.335 -5.126 1.00 0.00 C ATOM 737 C ALA A 50 2.734 -9.730 -3.682 1.00 0.00 C ATOM 738 O ALA A 50 3.447 -10.492 -3.055 1.00 0.00 O ATOM 739 CB ALA A 50 4.134 -10.131 -5.780 1.00 0.00 C ATOM 0 H ALA A 50 3.208 -7.425 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 50 2.103 -9.511 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.858 -11.185 -5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.285 -9.774 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.056 -10.009 -5.212 1.00 0.00 H new ATOM 745 N LEU A 51 1.660 -9.125 -3.228 1.00 0.00 N ATOM 746 CA LEU A 51 1.132 -9.326 -1.875 1.00 0.00 C ATOM 747 C LEU A 51 0.802 -10.839 -1.790 1.00 0.00 C ATOM 748 O LEU A 51 0.632 -11.441 -2.828 1.00 0.00 O ATOM 749 CB LEU A 51 -0.133 -8.498 -1.783 1.00 0.00 C ATOM 750 CG LEU A 51 -0.062 -7.031 -1.368 1.00 0.00 C ATOM 751 CD1 LEU A 51 0.807 -6.856 -0.147 1.00 0.00 C ATOM 752 CD2 LEU A 51 0.391 -6.245 -2.577 1.00 0.00 C ATOM 0 H LEU A 51 1.113 -8.469 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 51 1.814 -9.037 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.615 -8.534 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.798 -9.001 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.035 -6.649 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.841 -5.802 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.393 -7.433 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.816 -7.206 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.455 -5.187 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.371 -6.601 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.325 -6.379 -3.388 1.00 0.00 H new ATOM 764 N PRO A 52 0.672 -11.442 -0.635 1.00 0.00 N ATOM 765 CA PRO A 52 0.440 -12.916 -0.502 1.00 0.00 C ATOM 766 C PRO A 52 -1.046 -13.282 -0.708 1.00 0.00 C ATOM 767 O PRO A 52 -1.582 -14.211 -0.133 1.00 0.00 O ATOM 768 CB PRO A 52 0.952 -13.173 0.877 1.00 0.00 C ATOM 769 CG PRO A 52 0.364 -11.925 1.624 1.00 0.00 C ATOM 770 CD PRO A 52 0.735 -10.762 0.678 1.00 0.00 C ATOM 0 HA PRO A 52 0.937 -13.531 -1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.587 -14.114 1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.041 -13.208 0.917 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.714 -12.006 1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.805 -11.800 2.613 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.032 -9.932 0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.726 -10.359 0.888 1.00 0.00 H new ATOM 778 N ASP A 53 -1.600 -12.461 -1.546 1.00 0.00 N ATOM 779 CA ASP A 53 -3.004 -12.399 -2.061 1.00 0.00 C ATOM 780 C ASP A 53 -4.111 -12.189 -1.043 1.00 0.00 C ATOM 781 O ASP A 53 -5.131 -11.603 -1.360 1.00 0.00 O ATOM 782 CB ASP A 53 -3.299 -13.679 -2.892 1.00 0.00 C ATOM 783 CG ASP A 53 -3.110 -13.414 -4.397 1.00 0.00 C ATOM 784 OD1 ASP A 53 -3.194 -12.273 -4.854 1.00 0.00 O ATOM 785 OD2 ASP A 53 -2.885 -14.388 -5.089 1.00 0.00 O ATOM 0 H ASP A 53 -1.041 -11.713 -1.957 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.028 -11.490 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.636 -14.484 -2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.319 -14.013 -2.703 1.00 0.00 H new ATOM 790 N ASN A 54 -3.858 -12.653 0.149 1.00 0.00 N ATOM 791 CA ASN A 54 -4.853 -12.529 1.272 1.00 0.00 C ATOM 792 C ASN A 54 -4.738 -11.145 1.934 1.00 0.00 C ATOM 793 O ASN A 54 -5.152 -10.932 3.058 1.00 0.00 O ATOM 794 CB ASN A 54 -4.560 -13.637 2.296 1.00 0.00 C ATOM 795 CG ASN A 54 -3.134 -13.431 2.832 1.00 0.00 C ATOM 796 OD1 ASN A 54 -2.834 -12.498 3.550 1.00 0.00 O ATOM 797 ND2 ASN A 54 -2.200 -14.265 2.506 1.00 0.00 N ATOM 0 H ASN A 54 -2.990 -13.123 0.405 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.868 -12.634 0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.282 -13.601 3.112 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.653 -14.619 1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.250 -14.127 2.850 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.414 -15.061 1.905 1.00 0.00 H new ATOM 804 N VAL A 55 -4.185 -10.240 1.183 1.00 0.00 N ATOM 805 CA VAL A 55 -3.987 -8.842 1.650 1.00 0.00 C ATOM 806 C VAL A 55 -4.893 -7.954 0.783 1.00 0.00 C ATOM 807 O VAL A 55 -4.509 -7.534 -0.294 1.00 0.00 O ATOM 808 CB VAL A 55 -2.478 -8.490 1.503 1.00 0.00 C ATOM 809 CG1 VAL A 55 -2.218 -7.037 1.834 1.00 0.00 C ATOM 810 CG2 VAL A 55 -1.755 -9.350 2.508 1.00 0.00 C ATOM 0 H VAL A 55 -3.851 -10.416 0.235 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.253 -8.696 2.697 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.146 -8.661 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.155 -6.823 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.790 -6.402 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.522 -6.838 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.685 -9.150 2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.118 -9.122 3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.939 -10.401 2.286 1.00 0.00 H new ATOM 820 N PRO A 56 -6.092 -7.705 1.256 1.00 0.00 N ATOM 821 CA PRO A 56 -7.055 -6.828 0.547 1.00 0.00 C ATOM 822 C PRO A 56 -6.533 -5.377 0.504 1.00 0.00 C ATOM 823 O PRO A 56 -6.737 -4.617 1.427 1.00 0.00 O ATOM 824 CB PRO A 56 -8.381 -7.000 1.318 1.00 0.00 C ATOM 825 CG PRO A 56 -7.990 -7.549 2.715 1.00 0.00 C ATOM 826 CD PRO A 56 -6.634 -8.248 2.543 1.00 0.00 C ATOM 0 HA PRO A 56 -7.197 -7.090 -0.501 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.909 -6.050 1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.048 -7.689 0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.921 -6.742 3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.743 -8.247 3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.967 -8.031 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.749 -9.331 2.500 1.00 0.00 H new ATOM 834 N ILE A 57 -5.877 -5.043 -0.575 1.00 0.00 N ATOM 835 CA ILE A 57 -5.291 -3.688 -0.818 1.00 0.00 C ATOM 836 C ILE A 57 -6.455 -2.703 -1.112 1.00 0.00 C ATOM 837 O ILE A 57 -7.613 -2.984 -0.868 1.00 0.00 O ATOM 838 CB ILE A 57 -4.267 -3.819 -2.032 1.00 0.00 C ATOM 839 CG1 ILE A 57 -4.999 -3.970 -3.368 1.00 0.00 C ATOM 840 CG2 ILE A 57 -3.256 -4.924 -1.814 1.00 0.00 C ATOM 841 CD1 ILE A 57 -6.001 -5.097 -3.414 1.00 0.00 C ATOM 0 H ILE A 57 -5.714 -5.694 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.746 -3.302 0.044 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.702 -2.888 -2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.513 -3.036 -3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.261 -4.125 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.581 -4.973 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.683 -4.719 -0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.775 -5.876 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.470 -5.127 -4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.494 -6.043 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.765 -4.936 -2.653 1.00 0.00 H new ATOM 853 N ARG A 58 -6.134 -1.540 -1.605 1.00 0.00 N ATOM 854 CA ARG A 58 -7.234 -0.560 -1.909 1.00 0.00 C ATOM 855 C ARG A 58 -7.445 -0.221 -3.366 1.00 0.00 C ATOM 856 O ARG A 58 -6.499 0.027 -4.090 1.00 0.00 O ATOM 857 CB ARG A 58 -6.947 0.719 -1.104 1.00 0.00 C ATOM 858 CG ARG A 58 -7.953 0.844 0.038 1.00 0.00 C ATOM 859 CD ARG A 58 -8.008 -0.479 0.818 1.00 0.00 C ATOM 860 NE ARG A 58 -8.258 -0.165 2.258 1.00 0.00 N ATOM 861 CZ ARG A 58 -9.065 -0.897 2.994 1.00 0.00 C ATOM 862 NH1 ARG A 58 -9.431 -2.064 2.521 1.00 0.00 N ATOM 863 NH2 ARG A 58 -9.467 -0.437 4.157 1.00 0.00 N ATOM 0 H ARG A 58 -5.186 -1.223 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.167 -1.045 -1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.932 0.690 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.010 1.592 -1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.666 1.659 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.939 1.087 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.799 -1.118 0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.072 -1.025 0.706 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.791 0.637 2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.090 -2.375 1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.056 -2.661 3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.153 0.478 4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.093 -0.995 4.737 1.00 0.00 H new ATOM 877 N VAL A 59 -8.718 -0.246 -3.702 1.00 0.00 N ATOM 878 CA VAL A 59 -9.212 0.055 -5.079 1.00 0.00 C ATOM 879 C VAL A 59 -10.603 0.752 -5.160 1.00 0.00 C ATOM 880 O VAL A 59 -11.457 0.311 -5.896 1.00 0.00 O ATOM 881 CB VAL A 59 -9.249 -1.282 -5.838 1.00 0.00 C ATOM 882 CG1 VAL A 59 -7.838 -1.799 -5.982 1.00 0.00 C ATOM 883 CG2 VAL A 59 -10.084 -2.260 -5.041 1.00 0.00 C ATOM 0 H VAL A 59 -9.462 -0.474 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.529 0.782 -5.518 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.685 -1.154 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.851 -2.747 -6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.240 -1.076 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.402 -1.947 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.122 -3.216 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.637 -2.402 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.095 -1.868 -4.928 1.00 0.00 H new ATOM 893 N PRO A 60 -10.840 1.812 -4.433 1.00 0.00 N ATOM 894 CA PRO A 60 -12.185 2.471 -4.404 1.00 0.00 C ATOM 895 C PRO A 60 -12.372 3.555 -5.448 1.00 0.00 C ATOM 896 O PRO A 60 -13.357 3.670 -6.147 1.00 0.00 O ATOM 897 CB PRO A 60 -12.273 3.018 -3.037 1.00 0.00 C ATOM 898 CG PRO A 60 -10.777 3.434 -2.719 1.00 0.00 C ATOM 899 CD PRO A 60 -9.866 2.483 -3.534 1.00 0.00 C ATOM 0 HA PRO A 60 -12.974 1.759 -4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.948 3.872 -2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.644 2.277 -2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.597 4.473 -2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.570 3.348 -1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.104 3.027 -4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.344 1.771 -2.894 1.00 0.00 H new ATOM 907 N GLY A 61 -11.343 4.333 -5.453 1.00 0.00 N ATOM 908 CA GLY A 61 -11.206 5.506 -6.340 1.00 0.00 C ATOM 909 C GLY A 61 -11.014 6.600 -5.311 1.00 0.00 C ATOM 910 O GLY A 61 -10.011 7.278 -5.264 1.00 0.00 O ATOM 0 H GLY A 61 -10.541 4.194 -4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.356 5.418 -7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.090 5.666 -6.957 1.00 0.00 H new ATOM 914 N LYS A 62 -12.011 6.725 -4.486 1.00 0.00 N ATOM 915 CA LYS A 62 -11.968 7.751 -3.412 1.00 0.00 C ATOM 916 C LYS A 62 -11.989 6.994 -2.057 1.00 0.00 C ATOM 917 O LYS A 62 -12.900 6.234 -1.761 1.00 0.00 O ATOM 918 CB LYS A 62 -13.206 8.708 -3.590 1.00 0.00 C ATOM 919 CG LYS A 62 -12.877 10.073 -2.899 1.00 0.00 C ATOM 920 CD LYS A 62 -13.880 11.179 -3.343 1.00 0.00 C ATOM 921 CE LYS A 62 -13.458 12.574 -2.790 1.00 0.00 C ATOM 922 NZ LYS A 62 -13.439 12.547 -1.297 1.00 0.00 N ATOM 0 H LYS A 62 -12.859 6.158 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.071 8.369 -3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.419 8.860 -4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.097 8.263 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.916 9.955 -1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.861 10.376 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.928 11.215 -4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.880 10.931 -2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.472 12.842 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.152 13.338 -3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.290 13.510 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.346 12.181 -0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.667 11.931 -0.971 1.00 0.00 H new ATOM 936 N CYS A 63 -10.961 7.240 -1.281 1.00 0.00 N ATOM 937 CA CYS A 63 -10.822 6.599 0.068 1.00 0.00 C ATOM 938 C CYS A 63 -11.944 7.199 0.910 1.00 0.00 C ATOM 939 O CYS A 63 -12.453 8.266 0.597 1.00 0.00 O ATOM 940 CB CYS A 63 -9.451 6.973 0.659 1.00 0.00 C ATOM 941 SG CYS A 63 -9.349 7.325 2.434 1.00 0.00 S ATOM 0 H CYS A 63 -10.198 7.869 -1.529 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.886 5.512 0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.761 6.157 0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.086 7.850 0.124 1.00 0.00 H new ATOM 946 N HIS A 64 -12.326 6.512 1.950 1.00 0.00 N ATOM 947 CA HIS A 64 -13.409 7.039 2.812 1.00 0.00 C ATOM 948 C HIS A 64 -13.449 6.210 4.101 1.00 0.00 C ATOM 949 O HIS A 64 -14.427 5.502 4.285 1.00 0.00 O ATOM 950 CB HIS A 64 -14.736 6.960 2.017 1.00 0.00 C ATOM 951 CG HIS A 64 -14.867 5.602 1.319 1.00 0.00 C ATOM 952 ND1 HIS A 64 -14.793 4.434 1.889 1.00 0.00 N ATOM 953 CD2 HIS A 64 -15.091 5.341 -0.014 1.00 0.00 C ATOM 954 CE1 HIS A 64 -14.953 3.470 1.024 1.00 0.00 C ATOM 955 NE2 HIS A 64 -15.134 4.037 -0.129 1.00 0.00 N ATOM 956 OXT HIS A 64 -12.479 6.328 4.830 1.00 0.00 O ATOM 0 H HIS A 64 -11.935 5.614 2.236 1.00 0.00 H new ATOM 0 HA HIS A 64 -13.243 8.079 3.091 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -15.579 7.111 2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.771 7.760 1.277 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -14.631 4.290 2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -15.208 6.066 -0.806 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.938 2.409 1.228 1.00 0.00 H new TER 965 HIS A 64