USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 180:sc= -0.291 USER MOD Single : A 15 TYR OH : rot -167:sc= 1.04 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 25 CYS SG : rot 95:sc= -2.33! USER MOD Single : A 28 SER OG : rot 180:sc= 0.0607 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -146:sc= -0.441 (180deg=-1.78!) USER MOD Single : A 34 SER OG : rot -121:sc= 0.0277 USER MOD Single : A 46 GLN : amide:sc= -0.199 K(o=-0.2,f=-2.3!) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 54 ASN : amide:sc= -0.074 X(o=-0.074,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 60 HIS : +bothHN:sc= -0.279 K(o=-0.28,f=-3.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -169:sc= 0.686 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.813 K(o=-0.81,f=-4.1!) USER MOD Single : A 76 MET CE :methyl -178:sc= 0 (180deg=-0.0116) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.552 -6.132 -17.251 1.00 0.00 N ATOM 2 CA PRO A 1 1.458 -5.047 -17.721 1.00 0.00 C ATOM 3 C PRO A 1 1.190 -3.714 -17.013 1.00 0.00 C ATOM 4 O PRO A 1 2.109 -3.102 -16.470 1.00 0.00 O ATOM 5 CB PRO A 1 1.263 -4.897 -19.226 1.00 0.00 C ATOM 6 CG PRO A 1 0.092 -5.767 -19.536 1.00 0.00 C ATOM 7 CD PRO A 1 0.036 -6.817 -18.450 1.00 0.00 C ATOM 0 H2 PRO A 1 -0.214 -5.747 -16.698 1.00 0.00 H new ATOM 0 H3 PRO A 1 1.054 -6.786 -16.651 1.00 0.00 H new ATOM 0 HA PRO A 1 2.487 -5.318 -17.484 1.00 0.00 H new ATOM 0 HB2 PRO A 1 1.071 -3.860 -19.501 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.150 -5.213 -19.775 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.829 -5.184 -19.559 1.00 0.00 H new ATOM 0 HG3 PRO A 1 0.201 -6.229 -20.517 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -0.982 -7.175 -18.296 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.644 -7.685 -18.705 1.00 0.00 H new ATOM 17 N ARG A 2 -0.073 -3.271 -17.034 1.00 0.00 N ATOM 18 CA ARG A 2 -0.467 -2.007 -16.401 1.00 0.00 C ATOM 19 C ARG A 2 -0.208 -2.039 -14.892 1.00 0.00 C ATOM 20 O ARG A 2 -1.077 -2.427 -14.108 1.00 0.00 O ATOM 21 CB ARG A 2 -1.947 -1.709 -16.685 1.00 0.00 C ATOM 22 CG ARG A 2 -2.899 -2.829 -16.278 1.00 0.00 C ATOM 23 CD ARG A 2 -4.095 -2.924 -17.218 1.00 0.00 C ATOM 24 NE ARG A 2 -3.691 -3.048 -18.618 1.00 0.00 N ATOM 25 CZ ARG A 2 -4.503 -2.817 -19.652 1.00 0.00 C ATOM 26 NH1 ARG A 2 -5.769 -2.467 -19.449 1.00 0.00 N ATOM 27 NH2 ARG A 2 -4.048 -2.940 -20.894 1.00 0.00 N ATOM 0 H ARG A 2 -0.841 -3.770 -17.483 1.00 0.00 H new ATOM 0 HA ARG A 2 0.142 -1.210 -16.828 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.230 -0.797 -16.159 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.069 -1.513 -17.750 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.363 -3.778 -16.274 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.249 -2.657 -15.260 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.705 -3.784 -16.941 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.719 -2.038 -17.099 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.730 -3.328 -18.816 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.126 -2.373 -18.498 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.384 -2.292 -20.244 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.078 -3.211 -21.057 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.668 -2.764 -21.684 1.00 0.00 H new ATOM 41 N VAL A 3 0.999 -1.633 -14.497 1.00 0.00 N ATOM 42 CA VAL A 3 1.390 -1.617 -13.088 1.00 0.00 C ATOM 43 C VAL A 3 2.172 -0.346 -12.747 1.00 0.00 C ATOM 44 O VAL A 3 3.021 0.098 -13.523 1.00 0.00 O ATOM 45 CB VAL A 3 2.252 -2.848 -12.727 1.00 0.00 C ATOM 46 CG1 VAL A 3 2.438 -2.957 -11.222 1.00 0.00 C ATOM 47 CG2 VAL A 3 1.638 -4.132 -13.281 1.00 0.00 C ATOM 0 H VAL A 3 1.725 -1.310 -15.136 1.00 0.00 H new ATOM 0 HA VAL A 3 0.469 -1.643 -12.505 1.00 0.00 H new ATOM 0 HB VAL A 3 3.231 -2.712 -13.187 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.048 -3.831 -10.993 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.935 -2.061 -10.851 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.465 -3.058 -10.741 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.266 -4.981 -13.012 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.642 -4.270 -12.861 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.568 -4.063 -14.367 1.00 0.00 H new ATOM 57 N ARG A 4 1.878 0.234 -11.580 1.00 0.00 N ATOM 58 CA ARG A 4 2.553 1.453 -11.129 1.00 0.00 C ATOM 59 C ARG A 4 2.872 1.394 -9.633 1.00 0.00 C ATOM 60 O ARG A 4 2.396 0.506 -8.922 1.00 0.00 O ATOM 61 CB ARG A 4 1.685 2.680 -11.430 1.00 0.00 C ATOM 62 CG ARG A 4 0.347 2.673 -10.706 1.00 0.00 C ATOM 63 CD ARG A 4 -0.239 4.072 -10.601 1.00 0.00 C ATOM 64 NE ARG A 4 -1.684 4.043 -10.376 1.00 0.00 N ATOM 65 CZ ARG A 4 -2.490 5.094 -10.551 1.00 0.00 C ATOM 66 NH1 ARG A 4 -1.997 6.266 -10.944 1.00 0.00 N ATOM 67 NH2 ARG A 4 -3.795 4.971 -10.333 1.00 0.00 N ATOM 0 H ARG A 4 1.177 -0.122 -10.930 1.00 0.00 H new ATOM 0 HA ARG A 4 3.494 1.534 -11.673 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.234 3.580 -11.152 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.507 2.734 -12.504 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.351 2.024 -11.236 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.475 2.255 -9.707 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.245 4.608 -9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.025 4.625 -11.516 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.102 3.166 -10.066 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.996 6.367 -11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.620 7.063 -11.075 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.180 4.075 -10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.412 5.772 -10.466 1.00 0.00 H new ATOM 81 N SER A 5 3.679 2.347 -9.162 1.00 0.00 N ATOM 82 CA SER A 5 4.061 2.407 -7.751 1.00 0.00 C ATOM 83 C SER A 5 3.544 3.688 -7.098 1.00 0.00 C ATOM 84 O SER A 5 3.500 4.743 -7.733 1.00 0.00 O ATOM 85 CB SER A 5 5.582 2.328 -7.606 1.00 0.00 C ATOM 86 OG SER A 5 6.128 1.335 -8.456 1.00 0.00 O ATOM 0 H SER A 5 4.080 3.087 -9.738 1.00 0.00 H new ATOM 0 HA SER A 5 3.609 1.554 -7.245 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.023 3.296 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.840 2.106 -6.571 1.00 0.00 H new ATOM 0 HG SER A 5 7.101 1.308 -8.344 1.00 0.00 H new ATOM 92 N VAL A 6 3.156 3.587 -5.826 1.00 0.00 N ATOM 93 CA VAL A 6 2.640 4.738 -5.084 1.00 0.00 C ATOM 94 C VAL A 6 3.588 5.140 -3.951 1.00 0.00 C ATOM 95 O VAL A 6 4.164 4.284 -3.274 1.00 0.00 O ATOM 96 CB VAL A 6 1.242 4.451 -4.492 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.635 5.720 -3.911 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.323 3.851 -5.546 1.00 0.00 C ATOM 0 H VAL A 6 3.189 2.721 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 6 2.563 5.559 -5.797 1.00 0.00 H new ATOM 0 HB VAL A 6 1.356 3.725 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.349 5.497 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.281 6.103 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.538 6.470 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.656 3.657 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.217 4.549 -6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.749 2.916 -5.911 1.00 0.00 H new ATOM 108 N GLU A 7 3.745 6.451 -3.757 1.00 0.00 N ATOM 109 CA GLU A 7 4.621 6.985 -2.712 1.00 0.00 C ATOM 110 C GLU A 7 3.810 7.692 -1.627 1.00 0.00 C ATOM 111 O GLU A 7 3.284 8.784 -1.851 1.00 0.00 O ATOM 112 CB GLU A 7 5.625 7.963 -3.325 1.00 0.00 C ATOM 113 CG GLU A 7 6.852 7.289 -3.916 1.00 0.00 C ATOM 114 CD GLU A 7 7.815 8.274 -4.552 1.00 0.00 C ATOM 115 OE1 GLU A 7 7.381 9.048 -5.430 1.00 0.00 O ATOM 116 OE2 GLU A 7 9.003 8.271 -4.167 1.00 0.00 O ATOM 0 H GLU A 7 3.275 7.165 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 7 5.155 6.152 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.127 8.540 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.943 8.670 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.370 6.736 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.536 6.562 -4.664 1.00 0.00 H new ATOM 123 N VAL A 8 3.717 7.073 -0.449 1.00 0.00 N ATOM 124 CA VAL A 8 2.971 7.659 0.665 1.00 0.00 C ATOM 125 C VAL A 8 3.912 8.282 1.696 1.00 0.00 C ATOM 126 O VAL A 8 4.827 7.625 2.192 1.00 0.00 O ATOM 127 CB VAL A 8 2.073 6.618 1.369 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.119 7.306 2.334 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.300 5.788 0.352 1.00 0.00 C ATOM 0 H VAL A 8 4.146 6.171 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 8 2.338 8.435 0.236 1.00 0.00 H new ATOM 0 HB VAL A 8 2.715 5.944 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.493 6.559 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.691 7.848 3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.488 8.005 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.676 5.063 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.670 6.444 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.001 5.263 -0.297 1.00 0.00 H new ATOM 139 N ALA A 9 3.675 9.554 2.013 1.00 0.00 N ATOM 140 CA ALA A 9 4.491 10.278 2.983 1.00 0.00 C ATOM 141 C ALA A 9 3.894 10.175 4.385 1.00 0.00 C ATOM 142 O ALA A 9 3.051 10.986 4.775 1.00 0.00 O ATOM 143 CB ALA A 9 4.626 11.737 2.570 1.00 0.00 C ATOM 0 H ALA A 9 2.919 10.106 1.608 1.00 0.00 H new ATOM 0 HA ALA A 9 5.482 9.824 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.237 12.267 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.100 11.795 1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.638 12.195 2.523 1.00 0.00 H new ATOM 149 N ARG A 10 4.342 9.172 5.136 1.00 0.00 N ATOM 150 CA ARG A 10 3.862 8.947 6.502 1.00 0.00 C ATOM 151 C ARG A 10 3.992 10.217 7.344 1.00 0.00 C ATOM 152 O ARG A 10 5.083 10.768 7.489 1.00 0.00 O ATOM 153 CB ARG A 10 4.641 7.807 7.164 1.00 0.00 C ATOM 154 CG ARG A 10 3.823 7.016 8.171 1.00 0.00 C ATOM 155 CD ARG A 10 4.244 7.320 9.599 1.00 0.00 C ATOM 156 NE ARG A 10 3.818 6.280 10.533 1.00 0.00 N ATOM 157 CZ ARG A 10 4.340 5.049 10.572 1.00 0.00 C ATOM 158 NH1 ARG A 10 5.288 4.688 9.710 1.00 0.00 N ATOM 159 NH2 ARG A 10 3.900 4.176 11.471 1.00 0.00 N ATOM 0 H ARG A 10 5.040 8.498 4.822 1.00 0.00 H new ATOM 0 HA ARG A 10 2.809 8.673 6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.004 7.130 6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.517 8.219 7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.766 7.250 8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.939 5.950 7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.328 7.423 9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.821 8.277 9.905 1.00 0.00 H new ATOM 0 HE ARG A 10 3.077 6.507 11.196 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.622 5.352 9.012 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.680 3.747 9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.167 4.445 12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.295 3.236 11.505 1.00 0.00 H new ATOM 173 N GLY A 11 2.866 10.674 7.894 1.00 0.00 N ATOM 174 CA GLY A 11 2.862 11.879 8.713 1.00 0.00 C ATOM 175 C GLY A 11 3.764 11.763 9.929 1.00 0.00 C ATOM 176 O GLY A 11 4.770 12.469 10.031 1.00 0.00 O ATOM 0 H GLY A 11 1.954 10.230 7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.183 12.726 8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.843 12.088 9.040 1.00 0.00 H new ATOM 180 N ARG A 12 3.404 10.869 10.848 1.00 0.00 N ATOM 181 CA ARG A 12 4.185 10.651 12.067 1.00 0.00 C ATOM 182 C ARG A 12 3.808 9.333 12.740 1.00 0.00 C ATOM 183 O ARG A 12 4.679 8.537 13.089 1.00 0.00 O ATOM 184 CB ARG A 12 4.013 11.818 13.049 1.00 0.00 C ATOM 185 CG ARG A 12 2.580 12.322 13.190 1.00 0.00 C ATOM 186 CD ARG A 12 2.457 13.330 14.323 1.00 0.00 C ATOM 187 NE ARG A 12 2.575 12.697 15.637 1.00 0.00 N ATOM 188 CZ ARG A 12 2.505 13.360 16.793 1.00 0.00 C ATOM 189 NH1 ARG A 12 2.315 14.677 16.806 1.00 0.00 N ATOM 190 NH2 ARG A 12 2.625 12.705 17.942 1.00 0.00 N ATOM 0 H ARG A 12 2.574 10.281 10.772 1.00 0.00 H new ATOM 0 HA ARG A 12 5.234 10.597 11.776 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.373 11.507 14.030 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.645 12.645 12.725 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.260 12.782 12.255 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.913 11.480 13.375 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.230 14.091 14.217 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.496 13.840 14.252 1.00 0.00 H new ATOM 0 HE ARG A 12 2.720 11.688 15.671 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.222 15.187 15.928 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.263 15.176 17.694 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.771 11.695 17.941 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.572 13.211 18.826 1.00 0.00 H new ATOM 204 N ALA A 13 2.509 9.108 12.911 1.00 0.00 N ATOM 205 CA ALA A 13 2.021 7.883 13.537 1.00 0.00 C ATOM 206 C ALA A 13 0.891 7.246 12.718 1.00 0.00 C ATOM 207 O ALA A 13 0.047 6.530 13.262 1.00 0.00 O ATOM 208 CB ALA A 13 1.557 8.170 14.961 1.00 0.00 C ATOM 0 H ALA A 13 1.776 9.757 12.625 1.00 0.00 H new ATOM 0 HA ALA A 13 2.844 7.170 13.571 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.195 7.249 15.418 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.391 8.561 15.544 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.753 8.905 14.940 1.00 0.00 H new ATOM 214 N GLY A 14 0.883 7.507 11.409 1.00 0.00 N ATOM 215 CA GLY A 14 -0.143 6.951 10.541 1.00 0.00 C ATOM 216 C GLY A 14 0.025 7.375 9.093 1.00 0.00 C ATOM 217 O GLY A 14 0.766 8.317 8.800 1.00 0.00 O ATOM 0 H GLY A 14 1.570 8.094 10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.116 5.863 10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.124 7.266 10.896 1.00 0.00 H new ATOM 221 N TYR A 15 -0.660 6.679 8.185 1.00 0.00 N ATOM 222 CA TYR A 15 -0.580 6.988 6.757 1.00 0.00 C ATOM 223 C TYR A 15 -1.868 7.637 6.255 1.00 0.00 C ATOM 224 O TYR A 15 -1.903 8.838 5.989 1.00 0.00 O ATOM 225 CB TYR A 15 -0.290 5.715 5.953 1.00 0.00 C ATOM 226 CG TYR A 15 1.164 5.299 5.970 1.00 0.00 C ATOM 227 CD1 TYR A 15 2.112 5.986 5.225 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.586 4.211 6.727 1.00 0.00 C ATOM 229 CE1 TYR A 15 3.440 5.605 5.233 1.00 0.00 C ATOM 230 CE2 TYR A 15 2.913 3.826 6.740 1.00 0.00 C ATOM 231 CZ TYR A 15 3.835 4.525 5.990 1.00 0.00 C ATOM 232 OH TYR A 15 5.159 4.143 6.002 1.00 0.00 O ATOM 0 H TYR A 15 -1.276 5.898 8.413 1.00 0.00 H new ATOM 0 HA TYR A 15 0.236 7.697 6.616 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.896 4.900 6.350 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.602 5.870 4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.806 6.833 4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.866 3.659 7.313 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.165 6.152 4.648 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.227 2.981 7.335 1.00 0.00 H new ATOM 0 HH TYR A 15 5.240 3.256 6.410 1.00 0.00 H new ATOM 242 N GLY A 16 -2.918 6.831 6.122 1.00 0.00 N ATOM 243 CA GLY A 16 -4.197 7.334 5.644 1.00 0.00 C ATOM 244 C GLY A 16 -4.906 6.345 4.740 1.00 0.00 C ATOM 245 O GLY A 16 -5.335 6.695 3.640 1.00 0.00 O ATOM 0 H GLY A 16 -2.907 5.834 6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.835 7.565 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.038 8.267 5.103 1.00 0.00 H new ATOM 249 N PHE A 17 -5.029 5.107 5.210 1.00 0.00 N ATOM 250 CA PHE A 17 -5.688 4.050 4.448 1.00 0.00 C ATOM 251 C PHE A 17 -5.969 2.836 5.336 1.00 0.00 C ATOM 252 O PHE A 17 -5.696 2.865 6.538 1.00 0.00 O ATOM 253 CB PHE A 17 -4.827 3.644 3.241 1.00 0.00 C ATOM 254 CG PHE A 17 -3.557 2.920 3.608 1.00 0.00 C ATOM 255 CD1 PHE A 17 -2.429 3.623 3.998 1.00 0.00 C ATOM 256 CD2 PHE A 17 -3.496 1.533 3.562 1.00 0.00 C ATOM 257 CE1 PHE A 17 -1.264 2.961 4.337 1.00 0.00 C ATOM 258 CE2 PHE A 17 -2.332 0.867 3.899 1.00 0.00 C ATOM 259 CZ PHE A 17 -1.215 1.582 4.287 1.00 0.00 C ATOM 0 H PHE A 17 -4.679 4.810 6.121 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.641 4.434 4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.419 3.007 2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.572 4.539 2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.460 4.702 4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.366 0.969 3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.393 3.522 4.641 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.296 -0.212 3.859 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.305 1.063 4.551 1.00 0.00 H new ATOM 269 N THR A 18 -6.516 1.775 4.743 1.00 0.00 N ATOM 270 CA THR A 18 -6.831 0.558 5.489 1.00 0.00 C ATOM 271 C THR A 18 -6.356 -0.688 4.746 1.00 0.00 C ATOM 272 O THR A 18 -6.386 -0.739 3.515 1.00 0.00 O ATOM 273 CB THR A 18 -8.340 0.472 5.756 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.869 1.745 6.090 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.700 -0.482 6.875 1.00 0.00 C ATOM 0 H THR A 18 -6.749 1.734 3.751 1.00 0.00 H new ATOM 0 HA THR A 18 -6.303 0.604 6.441 1.00 0.00 H new ATOM 0 HB THR A 18 -8.772 0.097 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.832 1.666 6.254 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.782 -0.493 7.010 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.355 -1.485 6.623 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.223 -0.156 7.799 1.00 0.00 H new ATOM 283 N LEU A 19 -5.916 -1.691 5.506 1.00 0.00 N ATOM 284 CA LEU A 19 -5.430 -2.944 4.931 1.00 0.00 C ATOM 285 C LEU A 19 -6.117 -4.145 5.579 1.00 0.00 C ATOM 286 O LEU A 19 -6.063 -4.315 6.800 1.00 0.00 O ATOM 287 CB LEU A 19 -3.911 -3.058 5.109 1.00 0.00 C ATOM 288 CG LEU A 19 -3.096 -3.069 3.813 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.612 -3.196 4.124 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.550 -4.202 2.901 1.00 0.00 C ATOM 0 H LEU A 19 -5.886 -1.659 6.525 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.667 -2.940 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.571 -2.225 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.695 -3.972 5.662 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.263 -2.126 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.044 -3.203 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.295 -2.352 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.432 -4.125 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.958 -4.192 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.414 -5.156 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.603 -4.070 2.653 1.00 0.00 H new ATOM 302 N SER A 20 -6.752 -4.977 4.754 1.00 0.00 N ATOM 303 CA SER A 20 -7.447 -6.172 5.248 1.00 0.00 C ATOM 304 C SER A 20 -7.163 -7.401 4.384 1.00 0.00 C ATOM 305 O SER A 20 -7.856 -8.416 4.486 1.00 0.00 O ATOM 306 CB SER A 20 -8.950 -5.922 5.296 1.00 0.00 C ATOM 307 OG SER A 20 -9.320 -5.212 6.468 1.00 0.00 O ATOM 0 H SER A 20 -6.801 -4.849 3.743 1.00 0.00 H new ATOM 0 HA SER A 20 -7.070 -6.373 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.255 -5.357 4.415 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.480 -6.874 5.263 1.00 0.00 H new ATOM 0 HG SER A 20 -10.289 -5.065 6.469 1.00 0.00 H new ATOM 313 N GLY A 21 -6.142 -7.305 3.547 1.00 0.00 N ATOM 314 CA GLY A 21 -5.777 -8.411 2.683 1.00 0.00 C ATOM 315 C GLY A 21 -4.869 -9.406 3.381 1.00 0.00 C ATOM 316 O GLY A 21 -3.645 -9.313 3.269 1.00 0.00 O ATOM 0 H GLY A 21 -5.555 -6.476 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.680 -8.920 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.277 -8.026 1.794 1.00 0.00 H new ATOM 320 N GLN A 22 -5.471 -10.346 4.111 1.00 0.00 N ATOM 321 CA GLN A 22 -4.711 -11.367 4.842 1.00 0.00 C ATOM 322 C GLN A 22 -3.586 -11.935 3.981 1.00 0.00 C ATOM 323 O GLN A 22 -2.407 -11.773 4.296 1.00 0.00 O ATOM 324 CB GLN A 22 -5.638 -12.495 5.312 1.00 0.00 C ATOM 325 CG GLN A 22 -5.428 -12.887 6.766 1.00 0.00 C ATOM 326 CD GLN A 22 -4.141 -13.661 6.980 1.00 0.00 C ATOM 327 OE1 GLN A 22 -4.140 -14.890 7.000 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.035 -12.941 7.140 1.00 0.00 N ATOM 0 H GLN A 22 -6.483 -10.423 4.213 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.266 -10.891 5.716 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.674 -12.185 5.174 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.481 -13.370 4.682 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.414 -11.988 7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.271 -13.491 7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.082 -11.922 7.116 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.140 -13.407 7.286 1.00 0.00 H new ATOM 337 N ALA A 23 -3.966 -12.581 2.883 1.00 0.00 N ATOM 338 CA ALA A 23 -2.998 -13.155 1.951 1.00 0.00 C ATOM 339 C ALA A 23 -2.704 -12.166 0.821 1.00 0.00 C ATOM 340 O ALA A 23 -1.565 -11.722 0.665 1.00 0.00 O ATOM 341 CB ALA A 23 -3.502 -14.484 1.396 1.00 0.00 C ATOM 0 H ALA A 23 -4.940 -12.721 2.615 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.070 -13.350 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.765 -14.893 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.658 -15.185 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.444 -14.325 0.870 1.00 0.00 H new ATOM 347 N PRO A 24 -3.732 -11.785 0.028 1.00 0.00 N ATOM 348 CA PRO A 24 -3.576 -10.830 -1.067 1.00 0.00 C ATOM 349 C PRO A 24 -3.727 -9.389 -0.587 1.00 0.00 C ATOM 350 O PRO A 24 -4.842 -8.866 -0.509 1.00 0.00 O ATOM 351 CB PRO A 24 -4.718 -11.214 -2.005 1.00 0.00 C ATOM 352 CG PRO A 24 -5.803 -11.694 -1.100 1.00 0.00 C ATOM 353 CD PRO A 24 -5.135 -12.240 0.141 1.00 0.00 C ATOM 0 HA PRO A 24 -2.591 -10.870 -1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.046 -10.362 -2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.412 -11.992 -2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.482 -10.880 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.399 -12.465 -1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.606 -11.859 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.199 -13.327 0.182 1.00 0.00 H new ATOM 361 N CYS A 25 -2.605 -8.756 -0.252 1.00 0.00 N ATOM 362 CA CYS A 25 -2.620 -7.377 0.234 1.00 0.00 C ATOM 363 C CYS A 25 -3.343 -6.463 -0.751 1.00 0.00 C ATOM 364 O CYS A 25 -2.958 -6.359 -1.917 1.00 0.00 O ATOM 365 CB CYS A 25 -1.197 -6.869 0.478 1.00 0.00 C ATOM 366 SG CYS A 25 -0.191 -7.952 1.520 1.00 0.00 S ATOM 0 H CYS A 25 -1.676 -9.174 -0.308 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.159 -7.363 1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.699 -6.743 -0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.249 -5.884 0.942 1.00 0.00 H new ATOM 0 HG CYS A 25 0.516 -8.743 0.769 1.00 0.00 H new ATOM 372 N VAL A 26 -4.399 -5.810 -0.275 1.00 0.00 N ATOM 373 CA VAL A 26 -5.187 -4.911 -1.110 1.00 0.00 C ATOM 374 C VAL A 26 -5.714 -3.734 -0.294 1.00 0.00 C ATOM 375 O VAL A 26 -6.018 -3.877 0.893 1.00 0.00 O ATOM 376 CB VAL A 26 -6.370 -5.655 -1.768 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.311 -6.222 -0.713 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.117 -4.739 -2.724 1.00 0.00 C ATOM 0 H VAL A 26 -4.729 -5.887 0.687 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.530 -4.535 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.968 -6.490 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.135 -6.741 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.767 -6.922 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.705 -5.410 -0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.946 -5.283 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.503 -3.879 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.438 -4.397 -3.505 1.00 0.00 H new ATOM 388 N LEU A 27 -5.824 -2.573 -0.934 1.00 0.00 N ATOM 389 CA LEU A 27 -6.319 -1.381 -0.257 1.00 0.00 C ATOM 390 C LEU A 27 -7.845 -1.383 -0.207 1.00 0.00 C ATOM 391 O LEU A 27 -8.507 -0.909 -1.131 1.00 0.00 O ATOM 392 CB LEU A 27 -5.811 -0.118 -0.956 1.00 0.00 C ATOM 393 CG LEU A 27 -4.579 0.521 -0.312 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.565 0.912 -1.375 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.981 1.725 0.522 1.00 0.00 C ATOM 0 H LEU A 27 -5.578 -2.434 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.942 -1.388 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.576 -0.363 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.615 0.617 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.113 -0.210 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.695 1.365 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.256 0.024 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.016 1.628 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.093 2.168 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.470 2.462 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.668 1.411 1.307 1.00 0.00 H new ATOM 407 N SER A 28 -8.392 -1.922 0.880 1.00 0.00 N ATOM 408 CA SER A 28 -9.841 -1.993 1.066 1.00 0.00 C ATOM 409 C SER A 28 -10.487 -0.612 0.935 1.00 0.00 C ATOM 410 O SER A 28 -11.604 -0.489 0.429 1.00 0.00 O ATOM 411 CB SER A 28 -10.179 -2.605 2.430 1.00 0.00 C ATOM 412 OG SER A 28 -9.129 -2.394 3.361 1.00 0.00 O ATOM 0 H SER A 28 -7.852 -2.318 1.649 1.00 0.00 H new ATOM 0 HA SER A 28 -10.244 -2.633 0.281 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.100 -2.165 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.359 -3.674 2.317 1.00 0.00 H new ATOM 0 HG SER A 28 -9.371 -2.793 4.223 1.00 0.00 H new ATOM 418 N CYS A 29 -9.776 0.423 1.387 1.00 0.00 N ATOM 419 CA CYS A 29 -10.278 1.796 1.312 1.00 0.00 C ATOM 420 C CYS A 29 -9.183 2.806 1.658 1.00 0.00 C ATOM 421 O CYS A 29 -8.182 2.460 2.288 1.00 0.00 O ATOM 422 CB CYS A 29 -11.476 1.985 2.247 1.00 0.00 C ATOM 423 SG CYS A 29 -12.700 3.172 1.644 1.00 0.00 S ATOM 0 H CYS A 29 -8.851 0.336 1.809 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.598 1.974 0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.963 1.021 2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.115 2.314 3.221 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.675 3.262 2.499 1.00 0.00 H new ATOM 429 N VAL A 30 -9.388 4.057 1.243 1.00 0.00 N ATOM 430 CA VAL A 30 -8.429 5.128 1.506 1.00 0.00 C ATOM 431 C VAL A 30 -9.051 6.206 2.397 1.00 0.00 C ATOM 432 O VAL A 30 -10.270 6.381 2.411 1.00 0.00 O ATOM 433 CB VAL A 30 -7.923 5.777 0.193 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.679 6.613 0.452 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.642 4.713 -0.861 1.00 0.00 C ATOM 0 H VAL A 30 -10.213 4.353 0.722 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.580 4.678 2.020 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.706 6.435 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.340 7.060 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.913 7.401 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.891 5.978 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.288 5.190 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.880 4.027 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.557 4.159 -1.072 1.00 0.00 H new ATOM 445 N MET A 31 -8.206 6.925 3.136 1.00 0.00 N ATOM 446 CA MET A 31 -8.673 7.981 4.026 1.00 0.00 C ATOM 447 C MET A 31 -8.512 9.346 3.376 1.00 0.00 C ATOM 448 O MET A 31 -7.425 9.923 3.370 1.00 0.00 O ATOM 449 CB MET A 31 -7.915 7.954 5.353 1.00 0.00 C ATOM 450 CG MET A 31 -8.060 6.649 6.120 1.00 0.00 C ATOM 451 SD MET A 31 -9.317 6.730 7.411 1.00 0.00 S ATOM 452 CE MET A 31 -8.731 8.121 8.378 1.00 0.00 C ATOM 0 H MET A 31 -7.195 6.793 3.134 1.00 0.00 H new ATOM 0 HA MET A 31 -9.730 7.802 4.221 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.858 8.135 5.160 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.269 8.773 5.979 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.313 5.850 5.423 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.101 6.389 6.569 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.961 7.955 9.430 1.00 0.00 H new ATOM 0 HE2 MET A 31 -7.653 8.222 8.254 1.00 0.00 H new ATOM 0 HE3 MET A 31 -9.223 9.033 8.039 1.00 0.00 H new ATOM 462 N ARG A 32 -9.611 9.842 2.832 1.00 0.00 N ATOM 463 CA ARG A 32 -9.636 11.142 2.163 1.00 0.00 C ATOM 464 C ARG A 32 -9.011 12.226 3.036 1.00 0.00 C ATOM 465 O ARG A 32 -9.391 12.408 4.195 1.00 0.00 O ATOM 466 CB ARG A 32 -11.073 11.530 1.792 1.00 0.00 C ATOM 467 CG ARG A 32 -11.422 11.231 0.343 1.00 0.00 C ATOM 468 CD ARG A 32 -12.867 11.585 0.027 1.00 0.00 C ATOM 469 NE ARG A 32 -13.696 10.395 -0.164 1.00 0.00 N ATOM 470 CZ ARG A 32 -14.883 10.398 -0.775 1.00 0.00 C ATOM 471 NH1 ARG A 32 -15.392 11.528 -1.258 1.00 0.00 N ATOM 472 NH2 ARG A 32 -15.566 9.264 -0.901 1.00 0.00 N ATOM 0 H ARG A 32 -10.510 9.361 2.839 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.046 11.056 1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.766 10.996 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.215 12.594 1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.758 11.792 -0.314 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.254 10.174 0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.278 12.186 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.901 12.198 -0.873 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.345 9.506 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.875 12.402 -1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.300 11.521 -1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.183 8.394 -0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.473 9.264 -1.367 1.00 0.00 H new ATOM 486 N GLY A 33 -8.047 12.937 2.465 1.00 0.00 N ATOM 487 CA GLY A 33 -7.365 13.997 3.181 1.00 0.00 C ATOM 488 C GLY A 33 -6.049 13.551 3.789 1.00 0.00 C ATOM 489 O GLY A 33 -5.568 14.153 4.750 1.00 0.00 O ATOM 0 H GLY A 33 -7.723 12.796 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.181 14.828 2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.016 14.371 3.971 1.00 0.00 H new ATOM 493 N SER A 34 -5.459 12.505 3.217 1.00 0.00 N ATOM 494 CA SER A 34 -4.186 11.986 3.692 1.00 0.00 C ATOM 495 C SER A 34 -3.193 11.881 2.532 1.00 0.00 C ATOM 496 O SER A 34 -3.574 12.021 1.368 1.00 0.00 O ATOM 497 CB SER A 34 -4.387 10.622 4.358 1.00 0.00 C ATOM 498 OG SER A 34 -4.124 10.692 5.749 1.00 0.00 O ATOM 0 H SER A 34 -5.847 12.000 2.420 1.00 0.00 H new ATOM 0 HA SER A 34 -3.778 12.673 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.409 10.281 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.728 9.887 3.896 1.00 0.00 H new ATOM 0 HG SER A 34 -3.410 10.062 5.979 1.00 0.00 H new ATOM 504 N PRO A 35 -1.905 11.623 2.828 1.00 0.00 N ATOM 505 CA PRO A 35 -0.865 11.493 1.798 1.00 0.00 C ATOM 506 C PRO A 35 -1.167 10.393 0.777 1.00 0.00 C ATOM 507 O PRO A 35 -0.575 10.365 -0.303 1.00 0.00 O ATOM 508 CB PRO A 35 0.402 11.142 2.592 1.00 0.00 C ATOM 509 CG PRO A 35 -0.085 10.681 3.924 1.00 0.00 C ATOM 510 CD PRO A 35 -1.359 11.430 4.181 1.00 0.00 C ATOM 0 HA PRO A 35 -0.780 12.408 1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.977 10.363 2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.057 12.008 2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.258 9.605 3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.652 10.886 4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.041 10.862 4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.175 12.380 4.682 1.00 0.00 H new ATOM 518 N ALA A 36 -2.078 9.482 1.123 1.00 0.00 N ATOM 519 CA ALA A 36 -2.432 8.382 0.232 1.00 0.00 C ATOM 520 C ALA A 36 -3.225 8.863 -0.986 1.00 0.00 C ATOM 521 O ALA A 36 -2.874 8.545 -2.125 1.00 0.00 O ATOM 522 CB ALA A 36 -3.220 7.329 0.997 1.00 0.00 C ATOM 0 H ALA A 36 -2.581 9.486 2.010 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.506 7.943 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.481 6.511 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.614 6.946 1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.131 7.775 1.396 1.00 0.00 H new ATOM 528 N ASP A 37 -4.285 9.634 -0.744 1.00 0.00 N ATOM 529 CA ASP A 37 -5.118 10.154 -1.832 1.00 0.00 C ATOM 530 C ASP A 37 -4.391 11.251 -2.610 1.00 0.00 C ATOM 531 O ASP A 37 -4.623 11.424 -3.808 1.00 0.00 O ATOM 532 CB ASP A 37 -6.459 10.683 -1.309 1.00 0.00 C ATOM 533 CG ASP A 37 -6.321 11.514 -0.048 1.00 0.00 C ATOM 534 OD1 ASP A 37 -6.181 10.920 1.040 1.00 0.00 O ATOM 535 OD2 ASP A 37 -6.355 12.756 -0.148 1.00 0.00 O ATOM 0 H ASP A 37 -4.587 9.912 0.190 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.317 9.322 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.932 11.286 -2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.122 9.841 -1.111 1.00 0.00 H new ATOM 540 N PHE A 38 -3.508 11.984 -1.927 1.00 0.00 N ATOM 541 CA PHE A 38 -2.742 13.060 -2.567 1.00 0.00 C ATOM 542 C PHE A 38 -1.904 12.520 -3.728 1.00 0.00 C ATOM 543 O PHE A 38 -1.609 13.245 -4.677 1.00 0.00 O ATOM 544 CB PHE A 38 -1.823 13.758 -1.558 1.00 0.00 C ATOM 545 CG PHE A 38 -2.535 14.377 -0.379 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.879 14.718 -0.449 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.851 14.615 0.803 1.00 0.00 C ATOM 548 CE1 PHE A 38 -4.522 15.281 0.637 1.00 0.00 C ATOM 549 CE2 PHE A 38 -2.489 15.176 1.891 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.827 15.512 1.809 1.00 0.00 C ATOM 0 H PHE A 38 -3.305 11.854 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.460 13.784 -2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.097 13.034 -1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.262 14.536 -2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.428 14.541 -1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.804 14.358 0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.568 15.541 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.943 15.352 2.806 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.328 15.954 2.658 1.00 0.00 H new ATOM 560 N VAL A 39 -1.528 11.241 -3.647 1.00 0.00 N ATOM 561 CA VAL A 39 -0.728 10.604 -4.691 1.00 0.00 C ATOM 562 C VAL A 39 -1.626 9.982 -5.757 1.00 0.00 C ATOM 563 O VAL A 39 -1.440 10.217 -6.951 1.00 0.00 O ATOM 564 CB VAL A 39 0.194 9.512 -4.109 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.144 8.991 -5.176 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.967 10.039 -2.906 1.00 0.00 C ATOM 0 H VAL A 39 -1.766 10.628 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.111 11.382 -5.141 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.429 8.684 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.786 8.222 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.569 8.566 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.758 9.811 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.610 9.251 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.578 10.889 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.266 10.355 -2.133 1.00 0.00 H new ATOM 576 N GLY A 40 -2.598 9.194 -5.313 1.00 0.00 N ATOM 577 CA GLY A 40 -3.517 8.551 -6.236 1.00 0.00 C ATOM 578 C GLY A 40 -3.977 7.185 -5.762 1.00 0.00 C ATOM 579 O GLY A 40 -3.981 6.223 -6.533 1.00 0.00 O ATOM 0 H GLY A 40 -2.767 8.988 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.387 9.192 -6.378 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.034 8.448 -7.208 1.00 0.00 H new ATOM 583 N LEU A 41 -4.372 7.098 -4.492 1.00 0.00 N ATOM 584 CA LEU A 41 -4.846 5.845 -3.919 1.00 0.00 C ATOM 585 C LEU A 41 -6.352 5.705 -4.118 1.00 0.00 C ATOM 586 O LEU A 41 -7.108 6.649 -3.880 1.00 0.00 O ATOM 587 CB LEU A 41 -4.505 5.773 -2.427 1.00 0.00 C ATOM 588 CG LEU A 41 -3.333 4.852 -2.070 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.007 5.580 -2.239 1.00 0.00 C ATOM 590 CD2 LEU A 41 -3.478 4.329 -0.651 1.00 0.00 C ATOM 0 H LEU A 41 -4.372 7.884 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.346 5.024 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.277 6.779 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.389 5.437 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.346 4.002 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.188 4.909 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.899 5.903 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.984 6.450 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.637 3.677 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.494 5.167 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.408 3.767 -0.564 1.00 0.00 H new ATOM 602 N ARG A 42 -6.779 4.522 -4.552 1.00 0.00 N ATOM 603 CA ARG A 42 -8.190 4.247 -4.787 1.00 0.00 C ATOM 604 C ARG A 42 -8.519 2.803 -4.429 1.00 0.00 C ATOM 605 O ARG A 42 -7.952 1.867 -4.996 1.00 0.00 O ATOM 606 CB ARG A 42 -8.562 4.518 -6.250 1.00 0.00 C ATOM 607 CG ARG A 42 -8.445 5.979 -6.653 1.00 0.00 C ATOM 608 CD ARG A 42 -9.505 6.834 -5.978 1.00 0.00 C ATOM 609 NE ARG A 42 -9.067 8.220 -5.808 1.00 0.00 N ATOM 610 CZ ARG A 42 -9.811 9.176 -5.248 1.00 0.00 C ATOM 611 NH1 ARG A 42 -11.035 8.909 -4.802 1.00 0.00 N ATOM 612 NH2 ARG A 42 -9.327 10.408 -5.134 1.00 0.00 N ATOM 0 H ARG A 42 -6.161 3.735 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.773 4.912 -4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.918 3.920 -6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.585 4.184 -6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.455 6.351 -6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.541 6.067 -7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.419 6.813 -6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.747 6.409 -5.004 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.135 8.471 -6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.414 7.966 -4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.595 9.647 -4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.389 10.621 -5.474 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.893 11.141 -4.706 1.00 0.00 H new ATOM 626 N ALA A 43 -9.439 2.638 -3.483 1.00 0.00 N ATOM 627 CA ALA A 43 -9.865 1.316 -3.023 1.00 0.00 C ATOM 628 C ALA A 43 -10.132 0.376 -4.196 1.00 0.00 C ATOM 629 O ALA A 43 -10.902 0.702 -5.100 1.00 0.00 O ATOM 630 CB ALA A 43 -11.108 1.434 -2.156 1.00 0.00 C ATOM 0 H ALA A 43 -9.910 3.412 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.054 0.893 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.413 0.443 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.889 2.058 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.914 1.886 -2.735 1.00 0.00 H new ATOM 636 N GLY A 44 -9.480 -0.779 -4.174 1.00 0.00 N ATOM 637 CA GLY A 44 -9.641 -1.752 -5.242 1.00 0.00 C ATOM 638 C GLY A 44 -8.315 -2.155 -5.859 1.00 0.00 C ATOM 639 O GLY A 44 -8.179 -3.263 -6.383 1.00 0.00 O ATOM 0 H GLY A 44 -8.839 -1.062 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.141 -2.638 -4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.287 -1.336 -6.015 1.00 0.00 H new ATOM 643 N ASP A 45 -7.329 -1.256 -5.793 1.00 0.00 N ATOM 644 CA ASP A 45 -6.006 -1.528 -6.345 1.00 0.00 C ATOM 645 C ASP A 45 -5.308 -2.634 -5.554 1.00 0.00 C ATOM 646 O ASP A 45 -5.103 -2.507 -4.344 1.00 0.00 O ATOM 647 CB ASP A 45 -5.146 -0.261 -6.335 1.00 0.00 C ATOM 648 CG ASP A 45 -5.166 0.466 -7.668 1.00 0.00 C ATOM 649 OD1 ASP A 45 -4.417 0.055 -8.580 1.00 0.00 O ATOM 650 OD2 ASP A 45 -5.928 1.446 -7.797 1.00 0.00 O ATOM 0 H ASP A 45 -7.425 -0.336 -5.363 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.133 -1.859 -7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.502 0.410 -5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.119 -0.525 -6.084 1.00 0.00 H new ATOM 655 N GLN A 46 -4.951 -3.718 -6.241 1.00 0.00 N ATOM 656 CA GLN A 46 -4.282 -4.843 -5.601 1.00 0.00 C ATOM 657 C GLN A 46 -2.808 -4.532 -5.364 1.00 0.00 C ATOM 658 O GLN A 46 -2.090 -4.142 -6.285 1.00 0.00 O ATOM 659 CB GLN A 46 -4.417 -6.108 -6.453 1.00 0.00 C ATOM 660 CG GLN A 46 -5.001 -7.294 -5.699 1.00 0.00 C ATOM 661 CD GLN A 46 -4.283 -8.599 -6.002 1.00 0.00 C ATOM 662 OE1 GLN A 46 -3.417 -8.660 -6.876 1.00 0.00 O ATOM 663 NE2 GLN A 46 -4.640 -9.653 -5.278 1.00 0.00 N ATOM 0 H GLN A 46 -5.115 -3.838 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.763 -5.015 -4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.048 -5.890 -7.314 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.435 -6.382 -6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.951 -7.098 -4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.055 -7.397 -5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.362 -9.560 -4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.192 -10.556 -5.436 1.00 0.00 H new ATOM 672 N ILE A 47 -2.364 -4.715 -4.125 1.00 0.00 N ATOM 673 CA ILE A 47 -0.974 -4.459 -3.769 1.00 0.00 C ATOM 674 C ILE A 47 -0.100 -5.657 -4.126 1.00 0.00 C ATOM 675 O ILE A 47 -0.305 -6.761 -3.619 1.00 0.00 O ATOM 676 CB ILE A 47 -0.811 -4.148 -2.266 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.825 -3.090 -1.818 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.609 -3.683 -1.979 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.036 -3.055 -0.321 1.00 0.00 C ATOM 0 H ILE A 47 -2.946 -5.039 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.658 -3.585 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.002 -5.060 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.487 -2.109 -2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.780 -3.282 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.713 -3.466 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.312 -4.467 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.820 -2.782 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.766 -2.284 -0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.404 -4.024 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.091 -2.832 0.175 1.00 0.00 H new ATOM 691 N LEU A 48 0.873 -5.432 -5.004 1.00 0.00 N ATOM 692 CA LEU A 48 1.777 -6.492 -5.433 1.00 0.00 C ATOM 693 C LEU A 48 3.082 -6.450 -4.637 1.00 0.00 C ATOM 694 O LEU A 48 3.597 -7.491 -4.224 1.00 0.00 O ATOM 695 CB LEU A 48 2.061 -6.374 -6.934 1.00 0.00 C ATOM 696 CG LEU A 48 0.975 -6.946 -7.855 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.880 -8.459 -7.701 1.00 0.00 C ATOM 698 CD2 LEU A 48 -0.374 -6.296 -7.570 1.00 0.00 C ATOM 0 H LEU A 48 1.055 -4.524 -5.432 1.00 0.00 H new ATOM 0 HA LEU A 48 1.294 -7.451 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.203 -5.321 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.001 -6.881 -7.150 1.00 0.00 H new ATOM 0 HG LEU A 48 1.253 -6.721 -8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.104 -8.844 -8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.837 -8.912 -7.961 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.631 -8.705 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.128 -6.717 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.657 -6.484 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.303 -5.221 -7.737 1.00 0.00 H new ATOM 710 N ALA A 49 3.605 -5.245 -4.423 1.00 0.00 N ATOM 711 CA ALA A 49 4.846 -5.060 -3.671 1.00 0.00 C ATOM 712 C ALA A 49 4.660 -4.037 -2.549 1.00 0.00 C ATOM 713 O ALA A 49 3.986 -3.024 -2.732 1.00 0.00 O ATOM 714 CB ALA A 49 5.968 -4.624 -4.601 1.00 0.00 C ATOM 0 H ALA A 49 3.187 -4.378 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 49 5.114 -6.015 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.885 -4.490 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.125 -5.386 -5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.699 -3.682 -5.079 1.00 0.00 H new ATOM 720 N VAL A 50 5.271 -4.308 -1.395 1.00 0.00 N ATOM 721 CA VAL A 50 5.185 -3.409 -0.245 1.00 0.00 C ATOM 722 C VAL A 50 6.567 -3.190 0.353 1.00 0.00 C ATOM 723 O VAL A 50 7.173 -4.118 0.887 1.00 0.00 O ATOM 724 CB VAL A 50 4.240 -3.947 0.851 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.022 -2.897 1.933 1.00 0.00 C ATOM 726 CG2 VAL A 50 2.911 -4.380 0.251 1.00 0.00 C ATOM 0 H VAL A 50 5.832 -5.144 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 50 4.777 -2.466 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 50 4.709 -4.819 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.353 -3.295 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.979 -2.639 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.578 -2.005 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.260 -4.756 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.436 -3.528 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.082 -5.167 -0.483 1.00 0.00 H new ATOM 736 N ASN A 51 7.067 -1.962 0.233 1.00 0.00 N ATOM 737 CA ASN A 51 8.394 -1.610 0.731 1.00 0.00 C ATOM 738 C ASN A 51 9.461 -2.152 -0.220 1.00 0.00 C ATOM 739 O ASN A 51 10.568 -2.495 0.194 1.00 0.00 O ATOM 740 CB ASN A 51 8.606 -2.144 2.154 1.00 0.00 C ATOM 741 CG ASN A 51 9.143 -1.080 3.095 1.00 0.00 C ATOM 742 OD1 ASN A 51 8.482 -0.072 3.348 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.345 -1.297 3.616 1.00 0.00 N ATOM 0 H ASN A 51 6.568 -1.189 -0.208 1.00 0.00 H new ATOM 0 HA ASN A 51 8.477 -0.524 0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.661 -2.525 2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.300 -2.984 2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.755 -0.614 4.253 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.858 -2.146 3.379 1.00 0.00 H new ATOM 750 N GLU A 52 9.096 -2.218 -1.509 1.00 0.00 N ATOM 751 CA GLU A 52 9.973 -2.700 -2.578 1.00 0.00 C ATOM 752 C GLU A 52 10.003 -4.236 -2.675 1.00 0.00 C ATOM 753 O GLU A 52 10.636 -4.785 -3.581 1.00 0.00 O ATOM 754 CB GLU A 52 11.395 -2.120 -2.428 1.00 0.00 C ATOM 755 CG GLU A 52 12.432 -3.074 -1.836 1.00 0.00 C ATOM 756 CD GLU A 52 13.824 -2.838 -2.391 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.002 -2.952 -3.624 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.738 -2.536 -1.594 1.00 0.00 O ATOM 0 H GLU A 52 8.173 -1.934 -1.838 1.00 0.00 H new ATOM 0 HA GLU A 52 9.553 -2.340 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.742 -1.796 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.342 -1.231 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.452 -2.957 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.133 -4.102 -2.040 1.00 0.00 H new ATOM 765 N ILE A 53 9.317 -4.928 -1.760 1.00 0.00 N ATOM 766 CA ILE A 53 9.285 -6.389 -1.783 1.00 0.00 C ATOM 767 C ILE A 53 7.877 -6.912 -2.075 1.00 0.00 C ATOM 768 O ILE A 53 6.904 -6.509 -1.434 1.00 0.00 O ATOM 769 CB ILE A 53 9.805 -6.992 -0.457 1.00 0.00 C ATOM 770 CG1 ILE A 53 8.874 -6.645 0.710 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.219 -6.502 -0.174 1.00 0.00 C ATOM 772 CD1 ILE A 53 8.216 -7.856 1.334 1.00 0.00 C ATOM 0 H ILE A 53 8.782 -4.503 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 53 9.948 -6.705 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 53 9.823 -8.077 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.443 -6.116 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.101 -5.962 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.573 -6.934 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.879 -6.806 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.218 -5.415 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.571 -7.538 2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.620 -8.374 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.983 -8.530 1.716 1.00 0.00 H new ATOM 784 N ASN A 54 7.781 -7.810 -3.058 1.00 0.00 N ATOM 785 CA ASN A 54 6.506 -8.396 -3.459 1.00 0.00 C ATOM 786 C ASN A 54 5.898 -9.230 -2.336 1.00 0.00 C ATOM 787 O ASN A 54 6.579 -10.051 -1.720 1.00 0.00 O ATOM 788 CB ASN A 54 6.689 -9.264 -4.707 1.00 0.00 C ATOM 789 CG ASN A 54 6.461 -8.490 -5.991 1.00 0.00 C ATOM 790 OD1 ASN A 54 7.374 -7.849 -6.510 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.238 -8.543 -6.510 1.00 0.00 N ATOM 0 H ASN A 54 8.581 -8.148 -3.594 1.00 0.00 H new ATOM 0 HA ASN A 54 5.823 -7.577 -3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.696 -9.680 -4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.997 -10.105 -4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.027 -8.040 -7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.510 -9.087 -6.046 1.00 0.00 H new ATOM 798 N VAL A 55 4.612 -9.012 -2.083 1.00 0.00 N ATOM 799 CA VAL A 55 3.897 -9.736 -1.035 1.00 0.00 C ATOM 800 C VAL A 55 2.516 -10.192 -1.512 1.00 0.00 C ATOM 801 O VAL A 55 1.492 -9.837 -0.925 1.00 0.00 O ATOM 802 CB VAL A 55 3.748 -8.874 0.239 1.00 0.00 C ATOM 803 CG1 VAL A 55 5.081 -8.758 0.966 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.196 -7.496 -0.099 1.00 0.00 C ATOM 0 H VAL A 55 4.040 -8.337 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 55 4.491 -10.618 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 55 3.038 -9.368 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.956 -8.147 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.428 -9.751 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.815 -8.292 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.100 -6.908 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.875 -6.991 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.217 -7.601 -0.567 1.00 0.00 H new ATOM 814 N LYS A 56 2.498 -10.984 -2.584 1.00 0.00 N ATOM 815 CA LYS A 56 1.246 -11.494 -3.147 1.00 0.00 C ATOM 816 C LYS A 56 0.508 -12.384 -2.150 1.00 0.00 C ATOM 817 O LYS A 56 -0.718 -12.321 -2.039 1.00 0.00 O ATOM 818 CB LYS A 56 1.507 -12.274 -4.437 1.00 0.00 C ATOM 819 CG LYS A 56 2.116 -11.439 -5.551 1.00 0.00 C ATOM 820 CD LYS A 56 2.846 -12.312 -6.560 1.00 0.00 C ATOM 821 CE LYS A 56 4.356 -12.189 -6.417 1.00 0.00 C ATOM 822 NZ LYS A 56 4.856 -12.824 -5.164 1.00 0.00 N ATOM 0 H LYS A 56 3.336 -11.287 -3.081 1.00 0.00 H new ATOM 0 HA LYS A 56 0.618 -10.632 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.173 -13.108 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.567 -12.700 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.332 -10.874 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.809 -10.713 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.550 -13.352 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.551 -12.027 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.840 -12.654 -7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.636 -11.135 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.889 -12.716 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.415 -12.364 -4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.613 -13.835 -5.166 1.00 0.00 H new ATOM 836 N LYS A 57 1.260 -13.213 -1.426 1.00 0.00 N ATOM 837 CA LYS A 57 0.676 -14.113 -0.435 1.00 0.00 C ATOM 838 C LYS A 57 1.448 -14.057 0.888 1.00 0.00 C ATOM 839 O LYS A 57 1.524 -15.051 1.612 1.00 0.00 O ATOM 840 CB LYS A 57 0.658 -15.554 -0.963 1.00 0.00 C ATOM 841 CG LYS A 57 0.030 -15.701 -2.341 1.00 0.00 C ATOM 842 CD LYS A 57 -0.326 -17.150 -2.642 1.00 0.00 C ATOM 843 CE LYS A 57 -1.737 -17.485 -2.179 1.00 0.00 C ATOM 844 NZ LYS A 57 -2.298 -18.655 -2.912 1.00 0.00 N ATOM 0 H LYS A 57 2.275 -13.279 -1.508 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.347 -13.785 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.681 -15.929 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.113 -16.182 -0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.867 -15.085 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.721 -15.331 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.241 -17.332 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.387 -17.811 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.728 -17.697 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.383 -16.620 -2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.260 -18.851 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.331 -18.444 -3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.696 -19.487 -2.750 1.00 0.00 H new ATOM 858 N ALA A 58 2.020 -12.889 1.199 1.00 0.00 N ATOM 859 CA ALA A 58 2.783 -12.714 2.426 1.00 0.00 C ATOM 860 C ALA A 58 1.867 -12.537 3.636 1.00 0.00 C ATOM 861 O ALA A 58 0.641 -12.548 3.506 1.00 0.00 O ATOM 862 CB ALA A 58 3.724 -11.524 2.296 1.00 0.00 C ATOM 0 H ALA A 58 1.966 -12.055 0.614 1.00 0.00 H new ATOM 0 HA ALA A 58 3.371 -13.618 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.289 -11.404 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.413 -11.694 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.144 -10.621 2.105 1.00 0.00 H new ATOM 868 N SER A 59 2.473 -12.371 4.809 1.00 0.00 N ATOM 869 CA SER A 59 1.721 -12.188 6.047 1.00 0.00 C ATOM 870 C SER A 59 1.410 -10.722 6.281 1.00 0.00 C ATOM 871 O SER A 59 2.263 -9.851 6.106 1.00 0.00 O ATOM 872 CB SER A 59 2.482 -12.761 7.248 1.00 0.00 C ATOM 873 OG SER A 59 3.693 -13.386 6.851 1.00 0.00 O ATOM 0 H SER A 59 3.486 -12.360 4.928 1.00 0.00 H new ATOM 0 HA SER A 59 0.782 -12.732 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.700 -11.962 7.956 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.852 -13.484 7.767 1.00 0.00 H new ATOM 0 HG SER A 59 4.153 -13.739 7.641 1.00 0.00 H new ATOM 879 N HIS A 60 0.169 -10.471 6.668 1.00 0.00 N ATOM 880 CA HIS A 60 -0.313 -9.125 6.930 1.00 0.00 C ATOM 881 C HIS A 60 0.564 -8.396 7.943 1.00 0.00 C ATOM 882 O HIS A 60 0.913 -7.234 7.746 1.00 0.00 O ATOM 883 CB HIS A 60 -1.755 -9.197 7.420 1.00 0.00 C ATOM 884 CG HIS A 60 -2.581 -8.010 7.036 1.00 0.00 C ATOM 885 ND1 HIS A 60 -3.052 -7.801 5.757 1.00 0.00 N ATOM 886 CD2 HIS A 60 -3.016 -6.961 7.773 1.00 0.00 C ATOM 887 CE1 HIS A 60 -3.741 -6.674 5.726 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.734 -6.147 6.936 1.00 0.00 N ATOM 0 H HIS A 60 -0.533 -11.197 6.809 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.268 -8.554 6.002 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.221 -10.097 7.020 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.756 -9.293 8.506 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.894 -8.419 4.961 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.832 -6.796 8.824 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.228 -6.255 4.858 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.189 -5.275 7.205 1.00 0.00 H new ATOM 897 N GLU A 61 0.925 -9.089 9.019 1.00 0.00 N ATOM 898 CA GLU A 61 1.772 -8.503 10.054 1.00 0.00 C ATOM 899 C GLU A 61 3.138 -8.138 9.483 1.00 0.00 C ATOM 900 O GLU A 61 3.667 -7.062 9.757 1.00 0.00 O ATOM 901 CB GLU A 61 1.934 -9.468 11.230 1.00 0.00 C ATOM 902 CG GLU A 61 0.771 -9.425 12.207 1.00 0.00 C ATOM 903 CD GLU A 61 1.113 -10.039 13.551 1.00 0.00 C ATOM 904 OE1 GLU A 61 0.995 -11.274 13.688 1.00 0.00 O ATOM 905 OE2 GLU A 61 1.500 -9.282 14.466 1.00 0.00 O ATOM 0 H GLU A 61 0.646 -10.054 9.197 1.00 0.00 H new ATOM 0 HA GLU A 61 1.289 -7.595 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.040 -10.483 10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.855 -9.230 11.762 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.462 -8.390 12.353 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.080 -9.953 11.777 1.00 0.00 H new ATOM 912 N ASP A 62 3.692 -9.040 8.679 1.00 0.00 N ATOM 913 CA ASP A 62 4.991 -8.814 8.053 1.00 0.00 C ATOM 914 C ASP A 62 4.923 -7.634 7.091 1.00 0.00 C ATOM 915 O ASP A 62 5.835 -6.808 7.041 1.00 0.00 O ATOM 916 CB ASP A 62 5.455 -10.071 7.309 1.00 0.00 C ATOM 917 CG ASP A 62 6.791 -10.590 7.806 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.073 -10.460 9.018 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.558 -11.129 6.982 1.00 0.00 O ATOM 0 H ASP A 62 3.262 -9.935 8.445 1.00 0.00 H new ATOM 0 HA ASP A 62 5.712 -8.585 8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.703 -10.852 7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.530 -9.850 6.244 1.00 0.00 H new ATOM 924 N VAL A 63 3.831 -7.560 6.333 1.00 0.00 N ATOM 925 CA VAL A 63 3.637 -6.480 5.374 1.00 0.00 C ATOM 926 C VAL A 63 3.512 -5.136 6.083 1.00 0.00 C ATOM 927 O VAL A 63 4.117 -4.149 5.663 1.00 0.00 O ATOM 928 CB VAL A 63 2.393 -6.710 4.490 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.265 -5.606 3.450 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.454 -8.078 3.823 1.00 0.00 C ATOM 0 H VAL A 63 3.068 -8.236 6.366 1.00 0.00 H new ATOM 0 HA VAL A 63 4.518 -6.470 4.732 1.00 0.00 H new ATOM 0 HB VAL A 63 1.509 -6.682 5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.382 -5.785 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.169 -4.643 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.152 -5.598 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.568 -8.221 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.346 -8.139 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.492 -8.854 4.587 1.00 0.00 H new ATOM 940 N VAL A 64 2.746 -5.108 7.173 1.00 0.00 N ATOM 941 CA VAL A 64 2.572 -3.888 7.945 1.00 0.00 C ATOM 942 C VAL A 64 3.896 -3.490 8.577 1.00 0.00 C ATOM 943 O VAL A 64 4.243 -2.310 8.629 1.00 0.00 O ATOM 944 CB VAL A 64 1.503 -4.047 9.050 1.00 0.00 C ATOM 945 CG1 VAL A 64 1.280 -2.728 9.778 1.00 0.00 C ATOM 946 CG2 VAL A 64 0.191 -4.564 8.470 1.00 0.00 C ATOM 0 H VAL A 64 2.240 -5.915 7.537 1.00 0.00 H new ATOM 0 HA VAL A 64 2.231 -3.112 7.260 1.00 0.00 H new ATOM 0 HB VAL A 64 1.870 -4.780 9.768 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.524 -2.863 10.551 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.214 -2.403 10.236 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.942 -1.973 9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.544 -4.667 9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.179 -3.861 7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.357 -5.534 8.002 1.00 0.00 H new ATOM 956 N LYS A 65 4.635 -4.495 9.047 1.00 0.00 N ATOM 957 CA LYS A 65 5.924 -4.264 9.673 1.00 0.00 C ATOM 958 C LYS A 65 6.873 -3.538 8.721 1.00 0.00 C ATOM 959 O LYS A 65 7.596 -2.631 9.132 1.00 0.00 O ATOM 960 CB LYS A 65 6.551 -5.586 10.131 1.00 0.00 C ATOM 961 CG LYS A 65 6.126 -6.017 11.526 1.00 0.00 C ATOM 962 CD LYS A 65 7.021 -7.123 12.064 1.00 0.00 C ATOM 963 CE LYS A 65 7.975 -6.602 13.127 1.00 0.00 C ATOM 964 NZ LYS A 65 9.028 -7.598 13.470 1.00 0.00 N ATOM 0 H LYS A 65 4.357 -5.475 9.003 1.00 0.00 H new ATOM 0 HA LYS A 65 5.760 -3.633 10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.283 -6.369 9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.637 -5.490 10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.160 -5.160 12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.093 -6.363 11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.405 -7.918 12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.592 -7.561 11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.446 -5.685 12.773 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.412 -6.346 14.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.656 -7.202 14.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.581 -8.465 13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.583 -7.824 12.620 1.00 0.00 H new ATOM 978 N LEU A 66 6.855 -3.933 7.449 1.00 0.00 N ATOM 979 CA LEU A 66 7.707 -3.305 6.439 1.00 0.00 C ATOM 980 C LEU A 66 7.293 -1.853 6.212 1.00 0.00 C ATOM 981 O LEU A 66 8.139 -0.966 6.107 1.00 0.00 O ATOM 982 CB LEU A 66 7.640 -4.078 5.120 1.00 0.00 C ATOM 983 CG LEU A 66 8.097 -5.537 5.197 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.250 -6.410 4.282 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.572 -5.653 4.837 1.00 0.00 C ATOM 0 H LEU A 66 6.262 -4.683 7.093 1.00 0.00 H new ATOM 0 HA LEU A 66 8.733 -3.324 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.613 -4.054 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.253 -3.560 4.382 1.00 0.00 H new ATOM 0 HG LEU A 66 7.966 -5.887 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.589 -7.444 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.205 -6.350 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.349 -6.062 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.880 -6.697 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.729 -5.286 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.164 -5.059 5.533 1.00 0.00 H new ATOM 997 N ILE A 67 5.983 -1.622 6.149 1.00 0.00 N ATOM 998 CA ILE A 67 5.445 -0.280 5.946 1.00 0.00 C ATOM 999 C ILE A 67 5.769 0.613 7.142 1.00 0.00 C ATOM 1000 O ILE A 67 6.161 1.770 6.978 1.00 0.00 O ATOM 1001 CB ILE A 67 3.915 -0.304 5.730 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.545 -1.286 4.615 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.398 1.091 5.404 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.130 -1.816 4.715 1.00 0.00 C ATOM 0 H ILE A 67 5.274 -2.350 6.236 1.00 0.00 H new ATOM 0 HA ILE A 67 5.915 0.122 5.048 1.00 0.00 H new ATOM 0 HB ILE A 67 3.444 -0.638 6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.671 -0.792 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.240 -2.125 4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.319 1.054 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.628 1.766 6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.877 1.453 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.941 -2.505 3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.004 -2.339 5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.426 -0.986 4.662 1.00 0.00 H new ATOM 1016 N GLY A 68 5.611 0.063 8.343 1.00 0.00 N ATOM 1017 CA GLY A 68 5.898 0.816 9.552 1.00 0.00 C ATOM 1018 C GLY A 68 7.388 0.912 9.852 1.00 0.00 C ATOM 1019 O GLY A 68 7.805 1.732 10.673 1.00 0.00 O ATOM 0 H GLY A 68 5.289 -0.892 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.487 1.821 9.454 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.392 0.346 10.395 1.00 0.00 H new ATOM 1023 N LYS A 69 8.189 0.072 9.192 1.00 0.00 N ATOM 1024 CA LYS A 69 9.638 0.060 9.391 1.00 0.00 C ATOM 1025 C LYS A 69 10.286 1.366 8.927 1.00 0.00 C ATOM 1026 O LYS A 69 11.203 1.872 9.574 1.00 0.00 O ATOM 1027 CB LYS A 69 10.263 -1.127 8.647 1.00 0.00 C ATOM 1028 CG LYS A 69 11.766 -1.257 8.848 1.00 0.00 C ATOM 1029 CD LYS A 69 12.101 -1.888 10.188 1.00 0.00 C ATOM 1030 CE LYS A 69 13.599 -2.076 10.353 1.00 0.00 C ATOM 1031 NZ LYS A 69 13.966 -2.466 11.741 1.00 0.00 N ATOM 0 H LYS A 69 7.855 -0.611 8.512 1.00 0.00 H new ATOM 0 HA LYS A 69 9.823 -0.042 10.460 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.781 -2.046 8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.056 -1.025 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.190 -1.861 8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.228 -0.272 8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.721 -1.259 10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.600 -2.852 10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.946 -2.841 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.111 -1.150 10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.997 -2.583 11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.659 -1.725 12.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.499 -3.363 11.985 1.00 0.00 H new ATOM 1045 N CYS A 70 9.810 1.901 7.804 1.00 0.00 N ATOM 1046 CA CYS A 70 10.350 3.145 7.257 1.00 0.00 C ATOM 1047 C CYS A 70 10.132 4.308 8.221 1.00 0.00 C ATOM 1048 O CYS A 70 11.081 4.996 8.604 1.00 0.00 O ATOM 1049 CB CYS A 70 9.713 3.455 5.899 1.00 0.00 C ATOM 1050 SG CYS A 70 10.867 4.143 4.686 1.00 0.00 S ATOM 0 H CYS A 70 9.053 1.493 7.256 1.00 0.00 H new ATOM 0 HA CYS A 70 11.423 3.014 7.119 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.280 2.540 5.495 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.893 4.158 6.046 1.00 0.00 H new ATOM 0 HG CYS A 70 10.204 4.585 3.659 1.00 0.00 H new ATOM 1056 N SER A 71 8.878 4.522 8.605 1.00 0.00 N ATOM 1057 CA SER A 71 8.516 5.602 9.524 1.00 0.00 C ATOM 1058 C SER A 71 8.767 6.968 8.886 1.00 0.00 C ATOM 1059 O SER A 71 9.154 7.924 9.563 1.00 0.00 O ATOM 1060 CB SER A 71 9.300 5.476 10.838 1.00 0.00 C ATOM 1061 OG SER A 71 8.509 5.881 11.941 1.00 0.00 O ATOM 0 H SER A 71 8.088 3.958 8.293 1.00 0.00 H new ATOM 0 HA SER A 71 7.452 5.517 9.743 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.622 4.444 10.976 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.201 6.087 10.788 1.00 0.00 H new ATOM 0 HG SER A 71 9.029 5.791 12.767 1.00 0.00 H new ATOM 1067 N GLY A 72 8.544 7.048 7.575 1.00 0.00 N ATOM 1068 CA GLY A 72 8.748 8.293 6.857 1.00 0.00 C ATOM 1069 C GLY A 72 8.072 8.299 5.499 1.00 0.00 C ATOM 1070 O GLY A 72 7.435 9.284 5.123 1.00 0.00 O ATOM 0 H GLY A 72 8.225 6.270 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.364 9.120 7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.817 8.463 6.728 1.00 0.00 H new ATOM 1074 N VAL A 73 8.209 7.196 4.761 1.00 0.00 N ATOM 1075 CA VAL A 73 7.606 7.083 3.439 1.00 0.00 C ATOM 1076 C VAL A 73 7.486 5.625 2.997 1.00 0.00 C ATOM 1077 O VAL A 73 8.398 4.825 3.209 1.00 0.00 O ATOM 1078 CB VAL A 73 8.405 7.885 2.385 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.863 7.442 2.342 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.763 7.768 1.008 1.00 0.00 C ATOM 0 H VAL A 73 8.732 6.372 5.059 1.00 0.00 H new ATOM 0 HA VAL A 73 6.604 7.504 3.514 1.00 0.00 H new ATOM 0 HB VAL A 73 8.383 8.934 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.398 8.024 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.320 7.601 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.914 6.384 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.344 8.341 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.739 6.721 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.746 8.158 1.046 1.00 0.00 H new ATOM 1090 N LEU A 74 6.354 5.290 2.381 1.00 0.00 N ATOM 1091 CA LEU A 74 6.111 3.932 1.904 1.00 0.00 C ATOM 1092 C LEU A 74 6.232 3.849 0.385 1.00 0.00 C ATOM 1093 O LEU A 74 5.831 4.766 -0.333 1.00 0.00 O ATOM 1094 CB LEU A 74 4.722 3.450 2.338 1.00 0.00 C ATOM 1095 CG LEU A 74 4.302 2.089 1.769 1.00 0.00 C ATOM 1096 CD1 LEU A 74 5.099 0.966 2.416 1.00 0.00 C ATOM 1097 CD2 LEU A 74 2.807 1.868 1.960 1.00 0.00 C ATOM 0 H LEU A 74 5.590 5.942 2.201 1.00 0.00 H new ATOM 0 HA LEU A 74 6.870 3.287 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.696 3.396 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.985 4.195 2.039 1.00 0.00 H new ATOM 0 HG LEU A 74 4.515 2.084 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.785 0.010 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.161 1.116 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.922 0.967 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.527 0.897 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.568 1.896 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.254 2.653 1.443 1.00 0.00 H new ATOM 1109 N HIS A 75 6.778 2.730 -0.092 1.00 0.00 N ATOM 1110 CA HIS A 75 6.951 2.498 -1.524 1.00 0.00 C ATOM 1111 C HIS A 75 6.365 1.142 -1.913 1.00 0.00 C ATOM 1112 O HIS A 75 7.016 0.106 -1.759 1.00 0.00 O ATOM 1113 CB HIS A 75 8.434 2.566 -1.899 1.00 0.00 C ATOM 1114 CG HIS A 75 8.961 3.965 -1.996 1.00 0.00 C ATOM 1115 ND1 HIS A 75 9.489 4.647 -0.918 1.00 0.00 N ATOM 1116 CD2 HIS A 75 9.035 4.812 -3.049 1.00 0.00 C ATOM 1117 CE1 HIS A 75 9.864 5.852 -1.306 1.00 0.00 C ATOM 1118 NE2 HIS A 75 9.600 5.979 -2.593 1.00 0.00 N ATOM 0 H HIS A 75 7.109 1.967 0.498 1.00 0.00 H new ATOM 0 HA HIS A 75 6.420 3.277 -2.071 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.014 2.018 -1.156 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.583 2.063 -2.854 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.711 4.609 -4.059 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.311 6.607 -0.676 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.785 6.808 -3.157 1.00 0.00 H new ATOM 1127 N MET A 76 5.126 1.156 -2.408 1.00 0.00 N ATOM 1128 CA MET A 76 4.445 -0.072 -2.812 1.00 0.00 C ATOM 1129 C MET A 76 4.033 -0.024 -4.283 1.00 0.00 C ATOM 1130 O MET A 76 3.840 1.052 -4.851 1.00 0.00 O ATOM 1131 CB MET A 76 3.210 -0.314 -1.933 1.00 0.00 C ATOM 1132 CG MET A 76 2.279 0.886 -1.828 1.00 0.00 C ATOM 1133 SD MET A 76 0.542 0.435 -1.997 1.00 0.00 S ATOM 1134 CE MET A 76 0.069 0.259 -0.278 1.00 0.00 C ATOM 0 H MET A 76 4.575 2.005 -2.538 1.00 0.00 H new ATOM 0 HA MET A 76 5.146 -0.896 -2.681 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.652 -1.160 -2.334 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.539 -0.595 -0.932 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.431 1.376 -0.866 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.539 1.611 -2.599 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.973 -0.054 -0.218 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.701 -0.491 0.198 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.191 1.214 0.233 1.00 0.00 H new ATOM 1144 N VAL A 77 3.900 -1.203 -4.890 1.00 0.00 N ATOM 1145 CA VAL A 77 3.510 -1.311 -6.292 1.00 0.00 C ATOM 1146 C VAL A 77 2.114 -1.916 -6.420 1.00 0.00 C ATOM 1147 O VAL A 77 1.912 -3.099 -6.140 1.00 0.00 O ATOM 1148 CB VAL A 77 4.511 -2.174 -7.090 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.186 -2.148 -8.578 1.00 0.00 C ATOM 1150 CG2 VAL A 77 5.940 -1.710 -6.845 1.00 0.00 C ATOM 0 H VAL A 77 4.058 -2.099 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 77 3.508 -0.302 -6.704 1.00 0.00 H new ATOM 0 HB VAL A 77 4.421 -3.203 -6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.905 -2.763 -9.118 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.181 -2.539 -8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.238 -1.123 -8.944 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.628 -2.332 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.044 -0.671 -7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.173 -1.794 -5.783 1.00 0.00 H new ATOM 1160 N ILE A 78 1.153 -1.096 -6.848 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.226 -1.546 -7.015 1.00 0.00 C ATOM 1162 C ILE A 78 -0.577 -1.725 -8.491 1.00 0.00 C ATOM 1163 O ILE A 78 -0.104 -0.978 -9.351 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.234 -0.567 -6.372 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -0.979 0.868 -6.847 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -1.157 -0.652 -4.855 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -2.204 1.755 -6.784 1.00 0.00 C ATOM 0 H ILE A 78 1.307 -0.116 -7.085 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.299 -2.508 -6.507 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.238 -0.852 -6.685 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.190 1.309 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.612 0.842 -7.873 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.872 0.043 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.393 -1.667 -4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.150 -0.393 -4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.948 2.755 -7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.988 1.338 -7.416 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.560 1.812 -5.755 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.415 -2.723 -8.773 1.00 0.00 N ATOM 1180 CA ALA A 79 -1.843 -3.011 -10.139 1.00 0.00 C ATOM 1181 C ALA A 79 -3.323 -2.689 -10.336 1.00 0.00 C ATOM 1182 O ALA A 79 -4.162 -3.047 -9.506 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.567 -4.469 -10.481 1.00 0.00 C ATOM 0 H ALA A 79 -1.811 -3.347 -8.070 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.270 -2.374 -10.813 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.891 -4.671 -11.502 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.499 -4.667 -10.393 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.114 -5.114 -9.793 1.00 0.00 H new ATOM 1189 N GLU A 80 -3.632 -2.013 -11.443 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.005 -1.636 -11.763 1.00 0.00 C ATOM 1191 C GLU A 80 -5.584 -2.553 -12.839 1.00 0.00 C ATOM 1192 O GLU A 80 -4.932 -2.823 -13.850 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.055 -0.181 -12.239 1.00 0.00 C ATOM 1194 CG GLU A 80 -6.262 0.590 -11.729 1.00 0.00 C ATOM 1195 CD GLU A 80 -6.077 2.093 -11.829 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -6.131 2.625 -12.958 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -5.872 2.737 -10.778 1.00 0.00 O ATOM 0 H GLU A 80 -2.944 -1.715 -12.135 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.606 -1.740 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.147 0.329 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.059 -0.165 -13.329 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.144 0.297 -12.299 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.450 0.319 -10.690 1.00 0.00 H new ATOM 1204 N GLY A 81 -6.811 -3.025 -12.617 1.00 0.00 N ATOM 1205 CA GLY A 81 -7.457 -3.904 -13.578 1.00 0.00 C ATOM 1206 C GLY A 81 -6.809 -5.274 -13.637 1.00 0.00 C ATOM 1207 O GLY A 81 -5.942 -5.519 -14.478 1.00 0.00 O ATOM 0 H GLY A 81 -7.368 -2.814 -11.789 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.509 -4.014 -13.315 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.421 -3.446 -14.566 1.00 0.00 H new ATOM 1211 N VAL A 82 -7.231 -6.164 -12.741 1.00 0.00 N ATOM 1212 CA VAL A 82 -6.686 -7.519 -12.687 1.00 0.00 C ATOM 1213 C VAL A 82 -7.083 -8.317 -13.929 1.00 0.00 C ATOM 1214 O VAL A 82 -8.267 -8.572 -14.162 1.00 0.00 O ATOM 1215 CB VAL A 82 -7.159 -8.277 -11.428 1.00 0.00 C ATOM 1216 CG1 VAL A 82 -6.427 -9.607 -11.297 1.00 0.00 C ATOM 1217 CG2 VAL A 82 -6.959 -7.429 -10.177 1.00 0.00 C ATOM 0 H VAL A 82 -7.949 -5.971 -12.042 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.601 -7.420 -12.648 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.225 -8.479 -11.534 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.774 -10.127 -10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.628 -10.221 -12.175 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.355 -9.426 -11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.299 -7.984 -9.303 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.902 -7.189 -10.065 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.533 -6.507 -10.267 1.00 0.00 H new ATOM 1227 N GLY A 83 -6.083 -8.703 -14.718 1.00 0.00 N ATOM 1228 CA GLY A 83 -6.335 -9.464 -15.929 1.00 0.00 C ATOM 1229 C GLY A 83 -6.107 -8.640 -17.181 1.00 0.00 C ATOM 1230 O GLY A 83 -7.075 -8.019 -17.666 1.00 0.00 O ATOM 1231 OXT GLY A 83 -4.959 -8.613 -17.673 1.00 0.00 O ATOM 0 H GLY A 83 -5.099 -8.501 -14.539 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.685 -10.339 -15.948 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.362 -9.830 -15.919 1.00 0.00 H new TER 1235 GLY A 83