USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 455 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 20 SER OG : rot 10:sc= -0.299 USER MOD Set 1.2: A 39 MET CE :methyl -162:sc= -0.0169 (180deg=-0.293) USER MOD Single : A 8 CYS SG : rot -85:sc= -4.1! USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -1.68! C(o=-1.7!,f=-6.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 0.23 (180deg=-0.516) USER MOD Single : A 38 THR OG1 : rot 65:sc= 1.19 USER MOD Single : A 46 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 48 SER OG : rot 165:sc= 1.71 USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= -0.0277 (180deg=-0.251) USER MOD Single : A 66 THR OG1 : rot -32:sc= 0.823 USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= 1 (180deg=0.876) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 50 N GLU A 4 -7.195 -13.458 -1.575 1.00 0.00 N ATOM 51 CA GLU A 4 -7.490 -12.589 -0.455 1.00 0.00 C ATOM 52 C GLU A 4 -6.239 -11.894 0.034 1.00 0.00 C ATOM 53 O GLU A 4 -5.536 -12.383 0.921 1.00 0.00 O ATOM 54 CB GLU A 4 -8.141 -13.377 0.667 1.00 0.00 C ATOM 55 CG GLU A 4 -9.500 -13.913 0.282 1.00 0.00 C ATOM 56 CD GLU A 4 -10.011 -14.932 1.268 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.618 -14.530 2.277 1.00 0.00 O ATOM 58 OE2 GLU A 4 -9.790 -16.142 1.044 1.00 0.00 O ATOM 0 HA GLU A 4 -8.189 -11.823 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.493 -14.207 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.241 -12.739 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.209 -13.087 0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.443 -14.365 -0.708 1.00 0.00 H new ATOM 65 N VAL A 5 -5.956 -10.767 -0.579 1.00 0.00 N ATOM 66 CA VAL A 5 -4.816 -9.960 -0.202 1.00 0.00 C ATOM 67 C VAL A 5 -5.167 -9.123 1.017 1.00 0.00 C ATOM 68 O VAL A 5 -6.089 -8.309 0.977 1.00 0.00 O ATOM 69 CB VAL A 5 -4.371 -9.026 -1.341 1.00 0.00 C ATOM 70 CG1 VAL A 5 -2.998 -8.450 -1.042 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.375 -9.755 -2.675 1.00 0.00 C ATOM 0 H VAL A 5 -6.506 -10.385 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.992 -10.637 0.022 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.083 -8.204 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.695 -7.791 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.036 -7.884 -0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.277 -9.261 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.057 -9.073 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.690 -10.601 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.381 -10.114 -2.890 1.00 0.00 H new ATOM 81 N ARG A 6 -4.450 -9.345 2.104 1.00 0.00 N ATOM 82 CA ARG A 6 -4.707 -8.632 3.343 1.00 0.00 C ATOM 83 C ARG A 6 -3.433 -7.945 3.817 1.00 0.00 C ATOM 84 O ARG A 6 -2.331 -8.385 3.486 1.00 0.00 O ATOM 85 CB ARG A 6 -5.230 -9.597 4.408 1.00 0.00 C ATOM 86 CG ARG A 6 -6.412 -10.416 3.948 1.00 0.00 C ATOM 87 CD ARG A 6 -6.706 -11.553 4.903 1.00 0.00 C ATOM 88 NE ARG A 6 -7.779 -12.430 4.417 1.00 0.00 N ATOM 89 CZ ARG A 6 -8.191 -13.534 5.051 1.00 0.00 C ATOM 90 NH1 ARG A 6 -7.607 -13.910 6.182 1.00 0.00 N ATOM 91 NH2 ARG A 6 -9.175 -14.273 4.549 1.00 0.00 N ATOM 0 H ARG A 6 -3.683 -10.015 2.154 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.468 -7.872 3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.425 -10.269 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.514 -9.029 5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.289 -9.775 3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.213 -10.817 2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.800 -12.141 5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.986 -11.145 5.874 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.239 -12.182 3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.843 -13.357 6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.923 -14.752 6.664 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.622 -14.000 3.674 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.483 -15.113 5.039 1.00 0.00 H new ATOM 105 N ASP A 7 -3.583 -6.882 4.596 1.00 0.00 N ATOM 106 CA ASP A 7 -2.443 -6.092 5.059 1.00 0.00 C ATOM 107 C ASP A 7 -1.761 -6.784 6.237 1.00 0.00 C ATOM 108 O ASP A 7 -1.965 -7.975 6.473 1.00 0.00 O ATOM 109 CB ASP A 7 -2.902 -4.679 5.462 1.00 0.00 C ATOM 110 CG ASP A 7 -3.818 -4.664 6.675 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.364 -5.726 7.032 1.00 0.00 O ATOM 112 OD2 ASP A 7 -3.980 -3.589 7.286 1.00 0.00 O ATOM 0 H ASP A 7 -4.487 -6.543 4.924 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.725 -6.006 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.025 -4.066 5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.419 -4.219 4.620 1.00 0.00 H new ATOM 117 N CYS A 8 -0.966 -6.036 6.986 1.00 0.00 N ATOM 118 CA CYS A 8 -0.255 -6.595 8.129 1.00 0.00 C ATOM 119 C CYS A 8 -1.210 -6.829 9.304 1.00 0.00 C ATOM 120 O CYS A 8 -0.814 -7.327 10.358 1.00 0.00 O ATOM 121 CB CYS A 8 0.879 -5.657 8.533 1.00 0.00 C ATOM 122 SG CYS A 8 0.335 -3.981 8.923 1.00 0.00 S ATOM 0 H CYS A 8 -0.796 -5.043 6.825 1.00 0.00 H new ATOM 0 HA CYS A 8 0.165 -7.560 7.846 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.391 -6.074 9.400 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.608 -5.613 7.723 1.00 0.00 H new ATOM 0 HG CYS A 8 0.253 -3.285 7.828 1.00 0.00 H new ATOM 128 N ASN A 9 -2.473 -6.475 9.103 1.00 0.00 N ATOM 129 CA ASN A 9 -3.501 -6.638 10.120 1.00 0.00 C ATOM 130 C ASN A 9 -4.384 -7.824 9.788 1.00 0.00 C ATOM 131 O ASN A 9 -4.718 -8.641 10.648 1.00 0.00 O ATOM 132 CB ASN A 9 -4.379 -5.393 10.176 1.00 0.00 C ATOM 133 CG ASN A 9 -5.190 -5.307 11.453 1.00 0.00 C ATOM 134 OD1 ASN A 9 -6.306 -5.823 11.531 1.00 0.00 O ATOM 135 ND2 ASN A 9 -4.637 -4.657 12.464 1.00 0.00 N ATOM 0 H ASN A 9 -2.812 -6.068 8.232 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.009 -6.797 11.079 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.751 -4.506 10.089 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.054 -5.391 9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.137 -4.569 13.349 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.710 -4.244 12.359 1.00 0.00 H new ATOM 142 N GLY A 10 -4.766 -7.893 8.525 1.00 0.00 N ATOM 143 CA GLY A 10 -5.705 -8.889 8.076 1.00 0.00 C ATOM 144 C GLY A 10 -6.881 -8.248 7.370 1.00 0.00 C ATOM 145 O GLY A 10 -7.888 -8.903 7.099 1.00 0.00 O ATOM 0 H GLY A 10 -4.435 -7.264 7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.207 -9.585 7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.060 -9.469 8.928 1.00 0.00 H new ATOM 149 N ALA A 11 -6.752 -6.958 7.081 1.00 0.00 N ATOM 150 CA ALA A 11 -7.776 -6.228 6.352 1.00 0.00 C ATOM 151 C ALA A 11 -7.608 -6.464 4.860 1.00 0.00 C ATOM 152 O ALA A 11 -6.494 -6.408 4.341 1.00 0.00 O ATOM 153 CB ALA A 11 -7.705 -4.742 6.672 1.00 0.00 C ATOM 0 H ALA A 11 -5.942 -6.396 7.343 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.757 -6.591 6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.479 -4.213 6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.858 -4.592 7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.726 -4.355 6.388 1.00 0.00 H new ATOM 159 N LEU A 12 -8.707 -6.736 4.180 1.00 0.00 N ATOM 160 CA LEU A 12 -8.664 -7.088 2.770 1.00 0.00 C ATOM 161 C LEU A 12 -8.484 -5.865 1.882 1.00 0.00 C ATOM 162 O LEU A 12 -9.144 -4.839 2.062 1.00 0.00 O ATOM 163 CB LEU A 12 -9.929 -7.851 2.383 1.00 0.00 C ATOM 164 CG LEU A 12 -9.911 -9.333 2.757 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.319 -9.903 2.775 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.050 -10.108 1.775 1.00 0.00 C ATOM 0 H LEU A 12 -9.644 -6.720 4.582 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.796 -7.729 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.785 -7.378 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.078 -7.762 1.307 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.488 -9.429 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.281 -10.959 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.920 -9.364 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.767 -9.796 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.044 -11.163 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.456 -9.998 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.031 -9.721 1.800 1.00 0.00 H new ATOM 178 N LEU A 13 -7.582 -5.992 0.925 1.00 0.00 N ATOM 179 CA LEU A 13 -7.294 -4.935 -0.025 1.00 0.00 C ATOM 180 C LEU A 13 -7.993 -5.210 -1.344 1.00 0.00 C ATOM 181 O LEU A 13 -8.406 -6.339 -1.610 1.00 0.00 O ATOM 182 CB LEU A 13 -5.786 -4.837 -0.254 1.00 0.00 C ATOM 183 CG LEU A 13 -4.979 -4.356 0.948 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.496 -4.596 0.724 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.244 -2.881 1.199 1.00 0.00 C ATOM 0 H LEU A 13 -7.027 -6.836 0.785 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.659 -3.991 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.415 -5.818 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.604 -4.160 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.290 -4.923 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.936 -4.247 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.317 -5.662 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.169 -4.052 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.663 -2.548 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.954 -2.305 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.305 -2.731 1.398 1.00 0.00 H new ATOM 197 N ALA A 14 -8.113 -4.184 -2.168 1.00 0.00 N ATOM 198 CA ALA A 14 -8.747 -4.320 -3.465 1.00 0.00 C ATOM 199 C ALA A 14 -8.233 -3.250 -4.419 1.00 0.00 C ATOM 200 O ALA A 14 -7.431 -2.399 -4.031 1.00 0.00 O ATOM 201 CB ALA A 14 -10.260 -4.237 -3.323 1.00 0.00 C ATOM 0 H ALA A 14 -7.778 -3.244 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.495 -5.296 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.724 -4.341 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.609 -5.037 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.533 -3.273 -2.893 1.00 0.00 H new ATOM 207 N ASP A 15 -8.683 -3.309 -5.663 1.00 0.00 N ATOM 208 CA ASP A 15 -8.296 -2.331 -6.676 1.00 0.00 C ATOM 209 C ASP A 15 -8.719 -0.922 -6.271 1.00 0.00 C ATOM 210 O ASP A 15 -9.894 -0.670 -5.990 1.00 0.00 O ATOM 211 CB ASP A 15 -8.926 -2.697 -8.022 1.00 0.00 C ATOM 212 CG ASP A 15 -8.509 -1.768 -9.144 1.00 0.00 C ATOM 213 OD1 ASP A 15 -7.452 -2.013 -9.759 1.00 0.00 O ATOM 214 OD2 ASP A 15 -9.252 -0.801 -9.433 1.00 0.00 O ATOM 0 H ASP A 15 -9.322 -4.029 -6.000 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.210 -2.348 -6.767 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.648 -3.718 -8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.012 -2.677 -7.926 1.00 0.00 H new ATOM 219 N GLY A 16 -7.751 -0.018 -6.210 1.00 0.00 N ATOM 220 CA GLY A 16 -8.038 1.371 -5.912 1.00 0.00 C ATOM 221 C GLY A 16 -7.927 1.684 -4.435 1.00 0.00 C ATOM 222 O GLY A 16 -8.422 2.713 -3.973 1.00 0.00 O ATOM 0 H GLY A 16 -6.764 -0.224 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.349 2.008 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.044 1.612 -6.256 1.00 0.00 H new ATOM 226 N ASP A 17 -7.275 0.806 -3.689 1.00 0.00 N ATOM 227 CA ASP A 17 -7.137 0.989 -2.249 1.00 0.00 C ATOM 228 C ASP A 17 -5.826 1.695 -1.918 1.00 0.00 C ATOM 229 O ASP A 17 -5.022 1.973 -2.806 1.00 0.00 O ATOM 230 CB ASP A 17 -7.211 -0.349 -1.516 1.00 0.00 C ATOM 231 CG ASP A 17 -7.940 -0.223 -0.193 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.421 0.459 0.714 1.00 0.00 O ATOM 233 OD2 ASP A 17 -9.050 -0.780 -0.067 1.00 0.00 O ATOM 0 H ASP A 17 -6.834 -0.038 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.966 1.612 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.720 -1.080 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.203 -0.725 -1.342 1.00 0.00 H new ATOM 238 N ASN A 18 -5.625 1.999 -0.649 1.00 0.00 N ATOM 239 CA ASN A 18 -4.423 2.689 -0.203 1.00 0.00 C ATOM 240 C ASN A 18 -3.792 1.972 0.974 1.00 0.00 C ATOM 241 O ASN A 18 -4.477 1.546 1.902 1.00 0.00 O ATOM 242 CB ASN A 18 -4.711 4.147 0.177 1.00 0.00 C ATOM 243 CG ASN A 18 -6.122 4.365 0.685 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.414 4.196 1.866 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.002 4.766 -0.214 1.00 0.00 N ATOM 0 H ASN A 18 -6.283 1.778 0.098 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.726 2.685 -1.041 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.003 4.462 0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.543 4.782 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.967 4.948 0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.717 4.894 -1.185 1.00 0.00 H new ATOM 252 N VAL A 19 -2.482 1.839 0.919 1.00 0.00 N ATOM 253 CA VAL A 19 -1.722 1.229 1.996 1.00 0.00 C ATOM 254 C VAL A 19 -0.646 2.191 2.476 1.00 0.00 C ATOM 255 O VAL A 19 -0.492 3.278 1.924 1.00 0.00 O ATOM 256 CB VAL A 19 -1.064 -0.101 1.563 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.119 -1.140 1.224 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.125 0.113 0.383 1.00 0.00 C ATOM 0 H VAL A 19 -1.914 2.149 0.130 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.420 1.009 2.804 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.475 -0.472 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.632 -2.067 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.742 -1.325 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.741 -0.774 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.325 -0.838 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.686 0.516 -0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.660 0.815 0.665 1.00 0.00 H new ATOM 268 N SER A 20 0.079 1.813 3.511 1.00 0.00 N ATOM 269 CA SER A 20 1.176 2.629 4.006 1.00 0.00 C ATOM 270 C SER A 20 2.264 1.769 4.648 1.00 0.00 C ATOM 271 O SER A 20 1.993 0.678 5.148 1.00 0.00 O ATOM 272 CB SER A 20 0.652 3.669 4.997 1.00 0.00 C ATOM 273 OG SER A 20 -0.227 4.584 4.366 1.00 0.00 O ATOM 0 H SER A 20 -0.070 0.946 4.027 1.00 0.00 H new ATOM 0 HA SER A 20 1.625 3.146 3.158 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.133 3.167 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.490 4.210 5.436 1.00 0.00 H new ATOM 0 HG SER A 20 -0.433 4.269 3.461 1.00 0.00 H new ATOM 279 N LEU A 21 3.493 2.270 4.600 1.00 0.00 N ATOM 280 CA LEU A 21 4.658 1.589 5.164 1.00 0.00 C ATOM 281 C LEU A 21 4.550 1.462 6.681 1.00 0.00 C ATOM 282 O LEU A 21 4.342 2.459 7.376 1.00 0.00 O ATOM 283 CB LEU A 21 5.934 2.369 4.817 1.00 0.00 C ATOM 284 CG LEU A 21 6.589 2.041 3.470 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.218 0.665 3.516 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.588 2.130 2.328 1.00 0.00 C ATOM 0 H LEU A 21 3.713 3.166 4.166 1.00 0.00 H new ATOM 0 HA LEU A 21 4.699 0.588 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.699 3.433 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.667 2.193 5.605 1.00 0.00 H new ATOM 0 HG LEU A 21 7.368 2.781 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.680 0.444 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.977 0.638 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.451 -0.079 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.086 1.892 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.777 1.422 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.183 3.141 2.277 1.00 0.00 H new ATOM 298 N ILE A 22 4.708 0.245 7.196 1.00 0.00 N ATOM 299 CA ILE A 22 4.660 0.029 8.641 1.00 0.00 C ATOM 300 C ILE A 22 6.063 0.030 9.234 1.00 0.00 C ATOM 301 O ILE A 22 6.236 0.018 10.452 1.00 0.00 O ATOM 302 CB ILE A 22 3.956 -1.291 9.019 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.759 -2.497 8.526 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.548 -1.315 8.447 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.205 -3.828 8.982 1.00 0.00 C ATOM 0 H ILE A 22 4.868 -0.597 6.643 1.00 0.00 H new ATOM 0 HA ILE A 22 4.079 0.854 9.054 1.00 0.00 H new ATOM 0 HB ILE A 22 3.893 -1.351 10.106 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.789 -2.481 7.437 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.788 -2.404 8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.060 -2.251 8.720 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.978 -0.478 8.849 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.595 -1.233 7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.827 -4.634 8.593 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.201 -3.866 10.071 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.187 -3.945 8.611 1.00 0.00 H new ATOM 317 N LYS A 23 7.059 0.046 8.359 1.00 0.00 N ATOM 318 CA LYS A 23 8.460 0.066 8.760 1.00 0.00 C ATOM 319 C LYS A 23 9.214 0.972 7.797 1.00 0.00 C ATOM 320 O LYS A 23 8.619 1.522 6.869 1.00 0.00 O ATOM 321 CB LYS A 23 9.093 -1.335 8.694 1.00 0.00 C ATOM 322 CG LYS A 23 8.167 -2.485 9.052 1.00 0.00 C ATOM 323 CD LYS A 23 8.785 -3.820 8.658 1.00 0.00 C ATOM 324 CE LYS A 23 7.788 -4.961 8.771 1.00 0.00 C ATOM 325 NZ LYS A 23 8.395 -6.274 8.423 1.00 0.00 N ATOM 0 H LYS A 23 6.919 0.045 7.349 1.00 0.00 H new ATOM 0 HA LYS A 23 8.519 0.422 9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.472 -1.497 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.952 -1.359 9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.965 -2.475 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.210 -2.359 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.155 -3.761 7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.645 -4.025 9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.398 -5.001 9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.941 -4.768 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.679 -7.023 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.744 -6.246 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.187 -6.472 9.068 1.00 0.00 H new ATOM 339 N ASP A 24 10.508 1.116 8.009 1.00 0.00 N ATOM 340 CA ASP A 24 11.363 1.794 7.049 1.00 0.00 C ATOM 341 C ASP A 24 12.046 0.744 6.180 1.00 0.00 C ATOM 342 O ASP A 24 13.012 0.107 6.602 1.00 0.00 O ATOM 343 CB ASP A 24 12.415 2.657 7.755 1.00 0.00 C ATOM 344 CG ASP A 24 11.850 3.438 8.926 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.159 4.448 8.701 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.103 3.047 10.086 1.00 0.00 O ATOM 0 H ASP A 24 10.992 0.773 8.838 1.00 0.00 H new ATOM 0 HA ASP A 24 10.753 2.455 6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.224 2.018 8.108 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.848 3.353 7.036 1.00 0.00 H new ATOM 351 N LEU A 25 11.523 0.548 4.978 1.00 0.00 N ATOM 352 CA LEU A 25 11.997 -0.517 4.102 1.00 0.00 C ATOM 353 C LEU A 25 12.895 0.040 3.006 1.00 0.00 C ATOM 354 O LEU A 25 12.449 0.808 2.156 1.00 0.00 O ATOM 355 CB LEU A 25 10.825 -1.272 3.449 1.00 0.00 C ATOM 356 CG LEU A 25 10.024 -2.234 4.344 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.924 -3.270 4.997 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.235 -1.485 5.396 1.00 0.00 C ATOM 0 H LEU A 25 10.769 1.113 4.586 1.00 0.00 H new ATOM 0 HA LEU A 25 12.565 -1.210 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.133 -0.535 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.217 -1.842 2.607 1.00 0.00 H new ATOM 0 HG LEU A 25 9.319 -2.756 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.324 -3.932 5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.425 -3.855 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.670 -2.768 5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.681 -2.195 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.918 -0.916 6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.536 -0.804 4.910 1.00 0.00 H new ATOM 511 N LYS A 35 10.524 5.014 4.058 1.00 0.00 N ATOM 512 CA LYS A 35 10.394 5.248 5.486 1.00 0.00 C ATOM 513 C LYS A 35 9.011 4.871 5.980 1.00 0.00 C ATOM 514 O LYS A 35 8.066 4.750 5.199 1.00 0.00 O ATOM 515 CB LYS A 35 10.685 6.715 5.802 1.00 0.00 C ATOM 516 CG LYS A 35 12.168 7.051 5.818 1.00 0.00 C ATOM 517 CD LYS A 35 12.839 6.545 7.083 1.00 0.00 C ATOM 518 CE LYS A 35 12.236 7.182 8.327 1.00 0.00 C ATOM 519 NZ LYS A 35 12.788 6.596 9.575 1.00 0.00 N ATOM 0 HA LYS A 35 11.118 4.618 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.187 7.343 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.255 6.961 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.652 6.610 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.299 8.131 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.737 5.461 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.906 6.763 7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.428 8.255 8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.154 7.052 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.799 7.319 10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.195 5.796 9.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.758 6.262 9.402 1.00 0.00 H new ATOM 533 N ARG A 36 8.912 4.682 7.281 1.00 0.00 N ATOM 534 CA ARG A 36 7.656 4.359 7.925 1.00 0.00 C ATOM 535 C ARG A 36 6.656 5.489 7.738 1.00 0.00 C ATOM 536 O ARG A 36 7.008 6.667 7.838 1.00 0.00 O ATOM 537 CB ARG A 36 7.899 4.112 9.411 1.00 0.00 C ATOM 538 CG ARG A 36 6.742 3.431 10.119 1.00 0.00 C ATOM 539 CD ARG A 36 7.148 2.986 11.510 1.00 0.00 C ATOM 540 NE ARG A 36 6.103 2.210 12.174 1.00 0.00 N ATOM 541 CZ ARG A 36 5.569 2.525 13.353 1.00 0.00 C ATOM 542 NH1 ARG A 36 5.938 3.635 13.984 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.659 1.731 13.903 1.00 0.00 N ATOM 0 H ARG A 36 9.703 4.748 7.922 1.00 0.00 H new ATOM 0 HA ARG A 36 7.243 3.459 7.470 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.793 3.500 9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.100 5.065 9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.896 4.115 10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.411 2.569 9.539 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.056 2.387 11.446 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.385 3.862 12.114 1.00 0.00 H new ATOM 0 HE ARG A 36 5.760 1.372 11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.634 4.252 13.566 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.525 3.870 14.887 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.368 0.879 13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.250 1.972 14.806 1.00 0.00 H new ATOM 557 N GLY A 37 5.419 5.131 7.446 1.00 0.00 N ATOM 558 CA GLY A 37 4.388 6.129 7.263 1.00 0.00 C ATOM 559 C GLY A 37 4.291 6.622 5.833 1.00 0.00 C ATOM 560 O GLY A 37 3.585 7.593 5.556 1.00 0.00 O ATOM 0 H GLY A 37 5.108 4.166 7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.427 5.711 7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.587 6.975 7.921 1.00 0.00 H new ATOM 564 N THR A 38 5.017 5.983 4.926 1.00 0.00 N ATOM 565 CA THR A 38 4.896 6.294 3.509 1.00 0.00 C ATOM 566 C THR A 38 3.583 5.737 2.977 1.00 0.00 C ATOM 567 O THR A 38 3.370 4.524 2.982 1.00 0.00 O ATOM 568 CB THR A 38 6.068 5.712 2.694 1.00 0.00 C ATOM 569 OG1 THR A 38 7.310 6.215 3.202 1.00 0.00 O ATOM 570 CG2 THR A 38 5.943 6.066 1.219 1.00 0.00 C ATOM 0 H THR A 38 5.692 5.250 5.144 1.00 0.00 H new ATOM 0 HA THR A 38 4.918 7.378 3.401 1.00 0.00 H new ATOM 0 HB THR A 38 6.041 4.627 2.791 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.442 5.895 4.119 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.784 5.642 0.670 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.011 5.660 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.944 7.150 1.104 1.00 0.00 H new ATOM 578 N MET A 39 2.702 6.617 2.536 1.00 0.00 N ATOM 579 CA MET A 39 1.396 6.195 2.072 1.00 0.00 C ATOM 580 C MET A 39 1.420 5.837 0.598 1.00 0.00 C ATOM 581 O MET A 39 1.591 6.694 -0.268 1.00 0.00 O ATOM 582 CB MET A 39 0.344 7.274 2.337 1.00 0.00 C ATOM 583 CG MET A 39 -0.993 6.984 1.673 1.00 0.00 C ATOM 584 SD MET A 39 -2.304 8.084 2.227 1.00 0.00 S ATOM 585 CE MET A 39 -2.597 7.435 3.869 1.00 0.00 C ATOM 0 H MET A 39 2.867 7.622 2.490 1.00 0.00 H new ATOM 0 HA MET A 39 1.126 5.301 2.634 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.195 7.370 3.412 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.719 8.233 1.980 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.883 7.074 0.592 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.279 5.953 1.880 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.569 7.776 4.227 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.584 6.346 3.837 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.817 7.788 4.544 1.00 0.00 H new ATOM 595 N ILE A 40 1.246 4.558 0.321 1.00 0.00 N ATOM 596 CA ILE A 40 1.128 4.091 -1.046 1.00 0.00 C ATOM 597 C ILE A 40 -0.348 3.993 -1.404 1.00 0.00 C ATOM 598 O ILE A 40 -0.998 2.980 -1.145 1.00 0.00 O ATOM 599 CB ILE A 40 1.810 2.722 -1.260 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.276 2.782 -0.823 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.708 2.295 -2.721 1.00 0.00 C ATOM 602 CD1 ILE A 40 4.024 1.480 -1.018 1.00 0.00 C ATOM 0 H ILE A 40 1.183 3.824 1.026 1.00 0.00 H new ATOM 0 HA ILE A 40 1.636 4.806 -1.693 1.00 0.00 H new ATOM 0 HB ILE A 40 1.295 1.982 -0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.781 3.568 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.321 3.062 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.194 1.328 -2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.658 2.215 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.198 3.036 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.055 1.600 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.544 0.694 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.012 1.208 -2.073 1.00 0.00 H new ATOM 614 N ARG A 41 -0.885 5.067 -1.954 1.00 0.00 N ATOM 615 CA ARG A 41 -2.302 5.128 -2.270 1.00 0.00 C ATOM 616 C ARG A 41 -2.544 4.886 -3.753 1.00 0.00 C ATOM 617 O ARG A 41 -1.850 5.432 -4.606 1.00 0.00 O ATOM 618 CB ARG A 41 -2.904 6.463 -1.806 1.00 0.00 C ATOM 619 CG ARG A 41 -1.934 7.644 -1.808 1.00 0.00 C ATOM 620 CD ARG A 41 -1.663 8.175 -3.207 1.00 0.00 C ATOM 621 NE ARG A 41 -0.783 9.347 -3.184 1.00 0.00 N ATOM 622 CZ ARG A 41 -1.214 10.602 -3.311 1.00 0.00 C ATOM 623 NH1 ARG A 41 -2.514 10.848 -3.444 1.00 0.00 N ATOM 624 NH2 ARG A 41 -0.351 11.613 -3.297 1.00 0.00 N ATOM 0 H ARG A 41 -0.362 5.910 -2.192 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.809 4.330 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.750 6.706 -2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.297 6.336 -0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.342 8.445 -1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.993 7.338 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.208 7.391 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.607 8.438 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 41 0.218 9.193 -3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.181 10.076 -3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.844 11.808 -3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.647 11.430 -3.189 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.686 12.571 -3.395 1.00 0.00 H new ATOM 638 N GLY A 42 -3.535 4.058 -4.047 1.00 0.00 N ATOM 639 CA GLY A 42 -3.803 3.672 -5.414 1.00 0.00 C ATOM 640 C GLY A 42 -3.182 2.333 -5.742 1.00 0.00 C ATOM 641 O GLY A 42 -2.434 2.206 -6.711 1.00 0.00 O ATOM 0 H GLY A 42 -4.162 3.645 -3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.880 3.624 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.412 4.431 -6.091 1.00 0.00 H new ATOM 645 N ILE A 43 -3.469 1.337 -4.914 1.00 0.00 N ATOM 646 CA ILE A 43 -2.930 0.003 -5.110 1.00 0.00 C ATOM 647 C ILE A 43 -3.991 -0.911 -5.701 1.00 0.00 C ATOM 648 O ILE A 43 -5.183 -0.604 -5.661 1.00 0.00 O ATOM 649 CB ILE A 43 -2.378 -0.601 -3.787 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.503 -0.989 -2.817 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.453 0.394 -3.110 1.00 0.00 C ATOM 652 CD1 ILE A 43 -3.945 -2.436 -2.918 1.00 0.00 C ATOM 0 H ILE A 43 -4.074 1.431 -4.098 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.096 0.086 -5.807 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.830 -1.507 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.171 -0.793 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.363 -0.345 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.071 -0.036 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.620 0.626 -3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.003 1.308 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.742 -2.624 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.311 -2.635 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.100 -3.090 -2.703 1.00 0.00 H new ATOM 664 N ARG A 44 -3.553 -2.026 -6.252 1.00 0.00 N ATOM 665 CA ARG A 44 -4.460 -3.014 -6.806 1.00 0.00 C ATOM 666 C ARG A 44 -3.939 -4.417 -6.541 1.00 0.00 C ATOM 667 O ARG A 44 -2.769 -4.602 -6.194 1.00 0.00 O ATOM 668 CB ARG A 44 -4.648 -2.789 -8.306 1.00 0.00 C ATOM 669 CG ARG A 44 -3.348 -2.659 -9.076 1.00 0.00 C ATOM 670 CD ARG A 44 -3.609 -2.447 -10.554 1.00 0.00 C ATOM 671 NE ARG A 44 -2.400 -2.078 -11.280 1.00 0.00 N ATOM 672 CZ ARG A 44 -2.373 -1.219 -12.291 1.00 0.00 C ATOM 673 NH1 ARG A 44 -3.497 -0.661 -12.728 1.00 0.00 N ATOM 674 NH2 ARG A 44 -1.219 -0.929 -12.867 1.00 0.00 N ATOM 0 H ARG A 44 -2.566 -2.272 -6.329 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.429 -2.905 -6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.222 -3.619 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.240 -1.886 -8.457 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.770 -1.823 -8.682 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.747 -3.557 -8.935 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.024 -3.360 -10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.359 -1.666 -10.680 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.520 -2.507 -10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.387 -0.892 -12.286 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.470 -0.001 -13.506 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.359 -1.364 -12.534 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.189 -0.270 -13.645 1.00 0.00 H new ATOM 688 N LEU A 45 -4.808 -5.399 -6.709 1.00 0.00 N ATOM 689 CA LEU A 45 -4.455 -6.781 -6.433 1.00 0.00 C ATOM 690 C LEU A 45 -3.713 -7.381 -7.619 1.00 0.00 C ATOM 691 O LEU A 45 -4.033 -7.095 -8.773 1.00 0.00 O ATOM 692 CB LEU A 45 -5.711 -7.603 -6.125 1.00 0.00 C ATOM 693 CG LEU A 45 -6.590 -7.058 -4.997 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.715 -8.029 -4.679 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.768 -6.764 -3.752 1.00 0.00 C ATOM 0 H LEU A 45 -5.765 -5.265 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.802 -6.804 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.312 -7.670 -7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.407 -8.618 -5.868 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.028 -6.120 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.329 -7.624 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.331 -8.176 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.294 -8.985 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.420 -6.378 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.289 -7.681 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.005 -6.022 -3.987 1.00 0.00 H new ATOM 707 N THR A 46 -2.723 -8.208 -7.332 1.00 0.00 N ATOM 708 CA THR A 46 -1.918 -8.826 -8.372 1.00 0.00 C ATOM 709 C THR A 46 -2.317 -10.290 -8.547 1.00 0.00 C ATOM 710 O THR A 46 -3.457 -10.668 -8.260 1.00 0.00 O ATOM 711 CB THR A 46 -0.416 -8.735 -8.027 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.152 -9.409 -6.789 1.00 0.00 O ATOM 713 CG2 THR A 46 0.030 -7.285 -7.928 1.00 0.00 C ATOM 0 H THR A 46 -2.456 -8.468 -6.383 1.00 0.00 H new ATOM 0 HA THR A 46 -2.096 -8.290 -9.304 1.00 0.00 H new ATOM 0 HB THR A 46 0.146 -9.217 -8.827 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.350 -8.808 -6.041 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.092 -7.247 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.141 -6.786 -8.882 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.540 -6.781 -7.147 1.00 0.00 H new ATOM 721 N ASP A 47 -1.391 -11.106 -9.037 1.00 0.00 N ATOM 722 CA ASP A 47 -1.614 -12.543 -9.139 1.00 0.00 C ATOM 723 C ASP A 47 -1.308 -13.206 -7.801 1.00 0.00 C ATOM 724 O ASP A 47 -1.484 -14.413 -7.634 1.00 0.00 O ATOM 725 CB ASP A 47 -0.735 -13.153 -10.241 1.00 0.00 C ATOM 726 CG ASP A 47 0.737 -13.203 -9.866 1.00 0.00 C ATOM 727 OD1 ASP A 47 1.399 -12.145 -9.885 1.00 0.00 O ATOM 728 OD2 ASP A 47 1.238 -14.305 -9.556 1.00 0.00 O ATOM 0 H ASP A 47 -0.478 -10.797 -9.370 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.658 -12.716 -9.399 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.083 -14.163 -10.459 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.852 -12.571 -11.155 1.00 0.00 H new ATOM 733 N SER A 48 -0.855 -12.400 -6.852 1.00 0.00 N ATOM 734 CA SER A 48 -0.467 -12.891 -5.543 1.00 0.00 C ATOM 735 C SER A 48 -1.478 -12.477 -4.483 1.00 0.00 C ATOM 736 O SER A 48 -2.225 -11.514 -4.663 1.00 0.00 O ATOM 737 CB SER A 48 0.905 -12.332 -5.171 1.00 0.00 C ATOM 738 OG SER A 48 1.357 -12.853 -3.931 1.00 0.00 O ATOM 0 H SER A 48 -0.747 -11.392 -6.969 1.00 0.00 H new ATOM 0 HA SER A 48 -0.430 -13.980 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.623 -12.576 -5.954 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.853 -11.245 -5.114 1.00 0.00 H new ATOM 0 HG SER A 48 2.317 -12.681 -3.834 1.00 0.00 H new ATOM 744 N GLU A 49 -1.492 -13.215 -3.382 1.00 0.00 N ATOM 745 CA GLU A 49 -2.290 -12.847 -2.224 1.00 0.00 C ATOM 746 C GLU A 49 -1.431 -12.085 -1.223 1.00 0.00 C ATOM 747 O GLU A 49 -1.938 -11.475 -0.283 1.00 0.00 O ATOM 748 CB GLU A 49 -2.866 -14.088 -1.544 1.00 0.00 C ATOM 749 CG GLU A 49 -3.650 -14.995 -2.466 1.00 0.00 C ATOM 750 CD GLU A 49 -4.356 -16.103 -1.712 1.00 0.00 C ATOM 751 OE1 GLU A 49 -5.441 -15.846 -1.140 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.817 -17.232 -1.665 1.00 0.00 O ATOM 0 H GLU A 49 -0.957 -14.076 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.111 -12.216 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.049 -14.658 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.514 -13.772 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.385 -14.406 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.976 -15.431 -3.203 1.00 0.00 H new ATOM 759 N ASP A 50 -0.121 -12.138 -1.429 1.00 0.00 N ATOM 760 CA ASP A 50 0.825 -11.530 -0.500 1.00 0.00 C ATOM 761 C ASP A 50 1.460 -10.292 -1.124 1.00 0.00 C ATOM 762 O ASP A 50 2.134 -9.517 -0.451 1.00 0.00 O ATOM 763 CB ASP A 50 1.900 -12.555 -0.108 1.00 0.00 C ATOM 764 CG ASP A 50 2.807 -12.093 1.024 1.00 0.00 C ATOM 765 OD1 ASP A 50 2.336 -11.368 1.921 1.00 0.00 O ATOM 766 OD2 ASP A 50 3.991 -12.496 1.041 1.00 0.00 O ATOM 0 H ASP A 50 0.311 -12.596 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 50 0.293 -11.220 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.412 -13.484 0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.511 -12.779 -0.982 1.00 0.00 H new ATOM 771 N GLU A 51 1.219 -10.098 -2.412 1.00 0.00 N ATOM 772 CA GLU A 51 1.757 -8.950 -3.128 1.00 0.00 C ATOM 773 C GLU A 51 0.649 -8.111 -3.745 1.00 0.00 C ATOM 774 O GLU A 51 -0.378 -8.630 -4.184 1.00 0.00 O ATOM 775 CB GLU A 51 2.706 -9.375 -4.250 1.00 0.00 C ATOM 776 CG GLU A 51 4.128 -9.702 -3.811 1.00 0.00 C ATOM 777 CD GLU A 51 4.304 -11.126 -3.326 1.00 0.00 C ATOM 778 OE1 GLU A 51 3.800 -12.051 -3.995 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.990 -11.333 -2.307 1.00 0.00 O ATOM 0 H GLU A 51 0.652 -10.723 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 51 2.302 -8.363 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.286 -10.250 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.747 -8.577 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.806 -9.526 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.419 -9.018 -3.014 1.00 0.00 H new ATOM 786 N ILE A 52 0.883 -6.816 -3.785 1.00 0.00 N ATOM 787 CA ILE A 52 0.015 -5.879 -4.477 1.00 0.00 C ATOM 788 C ILE A 52 0.857 -4.917 -5.294 1.00 0.00 C ATOM 789 O ILE A 52 2.068 -4.854 -5.123 1.00 0.00 O ATOM 790 CB ILE A 52 -0.875 -5.075 -3.500 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.047 -4.495 -2.345 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.996 -5.940 -2.966 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.505 -3.111 -2.619 1.00 0.00 C ATOM 0 H ILE A 52 1.687 -6.378 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.642 -6.458 -5.125 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.311 -4.243 -4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.667 -4.457 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.782 -5.170 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.611 -5.357 -2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.610 -6.292 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.575 -6.795 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.078 -2.770 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.153 -3.145 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.318 -2.421 -2.803 1.00 0.00 H new ATOM 805 N GLU A 53 0.229 -4.181 -6.181 1.00 0.00 N ATOM 806 CA GLU A 53 0.929 -3.168 -6.942 1.00 0.00 C ATOM 807 C GLU A 53 0.297 -1.816 -6.671 1.00 0.00 C ATOM 808 O GLU A 53 -0.920 -1.674 -6.748 1.00 0.00 O ATOM 809 CB GLU A 53 0.873 -3.490 -8.429 1.00 0.00 C ATOM 810 CG GLU A 53 1.643 -2.502 -9.294 1.00 0.00 C ATOM 811 CD GLU A 53 1.419 -2.716 -10.776 1.00 0.00 C ATOM 812 OE1 GLU A 53 0.272 -2.540 -11.233 1.00 0.00 O ATOM 813 OE2 GLU A 53 2.388 -3.046 -11.490 1.00 0.00 O ATOM 0 H GLU A 53 -0.765 -4.263 -6.395 1.00 0.00 H new ATOM 0 HA GLU A 53 1.975 -3.146 -6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.273 -4.491 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.169 -3.507 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.346 -1.487 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.707 -2.589 -9.076 1.00 0.00 H new ATOM 820 N GLY A 54 1.115 -0.834 -6.343 1.00 0.00 N ATOM 821 CA GLY A 54 0.585 0.458 -5.983 1.00 0.00 C ATOM 822 C GLY A 54 1.380 1.600 -6.558 1.00 0.00 C ATOM 823 O GLY A 54 2.320 1.391 -7.324 1.00 0.00 O ATOM 0 H GLY A 54 2.132 -0.907 -6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.446 0.531 -6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.565 0.547 -4.897 1.00 0.00 H new ATOM 827 N ARG A 55 1.006 2.813 -6.191 1.00 0.00 N ATOM 828 CA ARG A 55 1.719 3.989 -6.639 1.00 0.00 C ATOM 829 C ARG A 55 1.952 4.952 -5.483 1.00 0.00 C ATOM 830 O ARG A 55 1.096 5.137 -4.619 1.00 0.00 O ATOM 831 CB ARG A 55 0.969 4.681 -7.778 1.00 0.00 C ATOM 832 CG ARG A 55 -0.435 5.127 -7.425 1.00 0.00 C ATOM 833 CD ARG A 55 -1.130 5.741 -8.631 1.00 0.00 C ATOM 834 NE ARG A 55 -2.556 5.978 -8.409 1.00 0.00 N ATOM 835 CZ ARG A 55 -3.201 7.063 -8.833 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.526 8.074 -9.367 1.00 0.00 N ATOM 837 NH2 ARG A 55 -4.518 7.153 -8.696 1.00 0.00 N ATOM 0 H ARG A 55 0.210 3.006 -5.583 1.00 0.00 H new ATOM 0 HA ARG A 55 2.690 3.671 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.543 5.550 -8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.918 4.001 -8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.011 4.275 -7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.397 5.854 -6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.645 6.685 -8.882 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.006 5.081 -9.490 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.087 5.271 -7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.511 8.021 -9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.022 8.904 -9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.039 6.390 -8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.009 7.986 -9.022 1.00 0.00 H new ATOM 918 N LYS A 60 5.521 5.055 -9.294 1.00 0.00 N ATOM 919 CA LYS A 60 4.158 4.674 -9.621 1.00 0.00 C ATOM 920 C LYS A 60 4.151 3.296 -10.278 1.00 0.00 C ATOM 921 O LYS A 60 4.976 3.010 -11.146 1.00 0.00 O ATOM 922 CB LYS A 60 3.495 5.709 -10.541 1.00 0.00 C ATOM 923 CG LYS A 60 4.061 5.730 -11.949 1.00 0.00 C ATOM 924 CD LYS A 60 3.244 6.613 -12.879 1.00 0.00 C ATOM 925 CE LYS A 60 3.389 8.090 -12.547 1.00 0.00 C ATOM 926 NZ LYS A 60 4.779 8.574 -12.755 1.00 0.00 N ATOM 0 HA LYS A 60 3.581 4.635 -8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.426 5.503 -10.592 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.608 6.699 -10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.090 6.088 -11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.088 4.714 -12.344 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.558 6.442 -13.908 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.193 6.330 -12.815 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.706 8.670 -13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.098 8.259 -11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.786 9.614 -12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.385 8.232 -11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.140 8.215 -13.662 1.00 0.00 H new ATOM 940 N GLY A 61 3.245 2.440 -9.833 1.00 0.00 N ATOM 941 CA GLY A 61 3.111 1.128 -10.431 1.00 0.00 C ATOM 942 C GLY A 61 4.241 0.193 -10.048 1.00 0.00 C ATOM 943 O GLY A 61 4.908 -0.366 -10.917 1.00 0.00 O ATOM 0 H GLY A 61 2.599 2.630 -9.067 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.162 0.689 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.080 1.229 -11.516 1.00 0.00 H new ATOM 947 N LEU A 62 4.468 0.033 -8.752 1.00 0.00 N ATOM 948 CA LEU A 62 5.475 -0.899 -8.277 1.00 0.00 C ATOM 949 C LEU A 62 4.803 -2.020 -7.496 1.00 0.00 C ATOM 950 O LEU A 62 3.871 -1.780 -6.723 1.00 0.00 O ATOM 951 CB LEU A 62 6.542 -0.197 -7.415 1.00 0.00 C ATOM 952 CG LEU A 62 6.158 0.142 -5.968 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.395 0.556 -5.191 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.121 1.252 -5.907 1.00 0.00 C ATOM 0 H LEU A 62 3.971 0.534 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 62 5.989 -1.318 -9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.428 -0.831 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.826 0.729 -7.916 1.00 0.00 H new ATOM 0 HG LEU A 62 5.721 -0.751 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.117 0.796 -4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.115 -0.262 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.843 1.433 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.875 1.463 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.522 2.151 -6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.221 0.939 -6.436 1.00 0.00 H new ATOM 966 N VAL A 63 5.262 -3.241 -7.714 1.00 0.00 N ATOM 967 CA VAL A 63 4.672 -4.398 -7.066 1.00 0.00 C ATOM 968 C VAL A 63 5.407 -4.706 -5.773 1.00 0.00 C ATOM 969 O VAL A 63 6.594 -5.034 -5.782 1.00 0.00 O ATOM 970 CB VAL A 63 4.695 -5.644 -7.977 1.00 0.00 C ATOM 971 CG1 VAL A 63 3.996 -6.819 -7.308 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.056 -5.337 -9.321 1.00 0.00 C ATOM 0 H VAL A 63 6.042 -3.456 -8.335 1.00 0.00 H new ATOM 0 HA VAL A 63 3.631 -4.153 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 63 5.736 -5.920 -8.146 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.026 -7.685 -7.970 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.502 -7.059 -6.373 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.959 -6.556 -7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.082 -6.228 -9.948 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.021 -5.030 -9.170 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.606 -4.533 -9.810 1.00 0.00 H new ATOM 982 N LEU A 64 4.696 -4.592 -4.669 1.00 0.00 N ATOM 983 CA LEU A 64 5.278 -4.838 -3.361 1.00 0.00 C ATOM 984 C LEU A 64 4.435 -5.794 -2.549 1.00 0.00 C ATOM 985 O LEU A 64 3.209 -5.814 -2.653 1.00 0.00 O ATOM 986 CB LEU A 64 5.461 -3.536 -2.579 1.00 0.00 C ATOM 987 CG LEU A 64 6.704 -2.739 -2.956 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.644 -1.339 -2.368 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.945 -3.477 -2.473 1.00 0.00 C ATOM 0 H LEU A 64 3.710 -4.330 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 64 6.255 -5.290 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.583 -2.909 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.504 -3.769 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 64 6.750 -2.640 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.541 -0.787 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.765 -0.821 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.583 -1.403 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.835 -2.908 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.902 -3.592 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.988 -4.461 -2.941 1.00 0.00 H new ATOM 1001 N ARG A 65 5.109 -6.593 -1.749 1.00 0.00 N ATOM 1002 CA ARG A 65 4.443 -7.461 -0.804 1.00 0.00 C ATOM 1003 C ARG A 65 3.722 -6.633 0.245 1.00 0.00 C ATOM 1004 O ARG A 65 4.247 -5.636 0.740 1.00 0.00 O ATOM 1005 CB ARG A 65 5.448 -8.394 -0.142 1.00 0.00 C ATOM 1006 CG ARG A 65 6.782 -7.734 0.164 1.00 0.00 C ATOM 1007 CD ARG A 65 7.680 -8.648 0.989 1.00 0.00 C ATOM 1008 NE ARG A 65 8.029 -9.874 0.266 1.00 0.00 N ATOM 1009 CZ ARG A 65 7.383 -11.037 0.400 1.00 0.00 C ATOM 1010 NH1 ARG A 65 6.358 -11.141 1.239 1.00 0.00 N ATOM 1011 NH2 ARG A 65 7.770 -12.093 -0.303 1.00 0.00 N ATOM 0 H ARG A 65 6.127 -6.658 -1.736 1.00 0.00 H new ATOM 0 HA ARG A 65 3.711 -8.065 -1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.020 -8.776 0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.618 -9.252 -0.792 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.283 -7.474 -0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.613 -6.803 0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.591 -8.114 1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.176 -8.907 1.920 1.00 0.00 H new ATOM 0 HE ARG A 65 8.816 -9.838 -0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.061 -10.332 1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.868 -12.030 1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.559 -12.017 -0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.278 -12.981 -0.202 1.00 0.00 H new ATOM 1025 N THR A 66 2.532 -7.062 0.595 1.00 0.00 N ATOM 1026 CA THR A 66 1.682 -6.304 1.490 1.00 0.00 C ATOM 1027 C THR A 66 1.874 -6.766 2.933 1.00 0.00 C ATOM 1028 O THR A 66 1.011 -6.561 3.787 1.00 0.00 O ATOM 1029 CB THR A 66 0.201 -6.440 1.067 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.635 -5.636 1.905 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.254 -7.892 1.124 1.00 0.00 C ATOM 0 H THR A 66 2.126 -7.940 0.271 1.00 0.00 H new ATOM 0 HA THR A 66 1.964 -5.253 1.429 1.00 0.00 H new ATOM 0 HB THR A 66 0.115 -6.091 0.038 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.247 -5.586 2.803 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.299 -7.958 0.822 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.357 -8.492 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.146 -8.267 2.142 1.00 0.00 H new ATOM 1039 N GLU A 67 3.031 -7.352 3.216 1.00 0.00 N ATOM 1040 CA GLU A 67 3.286 -7.901 4.540 1.00 0.00 C ATOM 1041 C GLU A 67 3.975 -6.866 5.416 1.00 0.00 C ATOM 1042 O GLU A 67 4.148 -7.058 6.621 1.00 0.00 O ATOM 1043 CB GLU A 67 4.105 -9.187 4.428 1.00 0.00 C ATOM 1044 CG GLU A 67 5.420 -9.032 3.685 1.00 0.00 C ATOM 1045 CD GLU A 67 6.572 -8.663 4.596 1.00 0.00 C ATOM 1046 OE1 GLU A 67 6.906 -9.466 5.492 1.00 0.00 O ATOM 1047 OE2 GLU A 67 7.148 -7.579 4.414 1.00 0.00 O ATOM 0 H GLU A 67 3.799 -7.458 2.554 1.00 0.00 H new ATOM 0 HA GLU A 67 2.338 -8.153 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.311 -9.561 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.504 -9.943 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.654 -9.965 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.310 -8.265 2.918 1.00 0.00 H new ATOM 1054 N PHE A 68 4.364 -5.768 4.790 1.00 0.00 N ATOM 1055 CA PHE A 68 4.924 -4.640 5.507 1.00 0.00 C ATOM 1056 C PHE A 68 4.096 -3.394 5.229 1.00 0.00 C ATOM 1057 O PHE A 68 4.544 -2.265 5.449 1.00 0.00 O ATOM 1058 CB PHE A 68 6.392 -4.421 5.124 1.00 0.00 C ATOM 1059 CG PHE A 68 6.633 -4.051 3.682 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.642 -2.725 3.285 1.00 0.00 C ATOM 1061 CD2 PHE A 68 6.872 -5.027 2.733 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.882 -2.381 1.968 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.111 -4.688 1.415 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.114 -3.364 1.034 1.00 0.00 C ATOM 0 H PHE A 68 4.301 -5.636 3.781 1.00 0.00 H new ATOM 0 HA PHE A 68 4.893 -4.851 6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.802 -3.634 5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.948 -5.332 5.346 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.459 -1.949 4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.872 -6.067 3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.887 -1.342 1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.295 -5.461 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.298 -3.098 0.004 1.00 0.00 H new ATOM 1074 N LEU A 69 2.871 -3.612 4.774 1.00 0.00 N ATOM 1075 CA LEU A 69 1.994 -2.514 4.421 1.00 0.00 C ATOM 1076 C LEU A 69 0.738 -2.565 5.256 1.00 0.00 C ATOM 1077 O LEU A 69 0.243 -3.637 5.608 1.00 0.00 O ATOM 1078 CB LEU A 69 1.629 -2.551 2.935 1.00 0.00 C ATOM 1079 CG LEU A 69 2.804 -2.519 1.955 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.320 -2.761 0.535 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.536 -1.189 2.033 1.00 0.00 C ATOM 0 H LEU A 69 2.466 -4.539 4.642 1.00 0.00 H new ATOM 0 HA LEU A 69 2.525 -1.583 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.049 -3.454 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.979 -1.703 2.720 1.00 0.00 H new ATOM 0 HG LEU A 69 3.496 -3.314 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.169 -2.735 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.837 -3.736 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.606 -1.986 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.367 -1.189 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.849 -0.380 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.918 -1.042 3.043 1.00 0.00 H new ATOM 1093 N LYS A 70 0.240 -1.395 5.572 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.957 -1.265 6.361 1.00 0.00 C ATOM 1095 C LYS A 70 -2.067 -0.666 5.513 1.00 0.00 C ATOM 1096 O LYS A 70 -1.856 0.340 4.841 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.691 -0.370 7.575 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.373 -0.858 8.839 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.835 -1.167 8.576 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.573 -1.643 9.809 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.943 -2.100 9.459 1.00 0.00 N ATOM 0 H LYS A 70 0.654 -0.507 5.289 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.262 -2.252 6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.384 -0.314 7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.031 0.642 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.869 -1.751 9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.291 -0.100 9.618 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.325 -0.274 8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.905 -1.930 7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.021 -2.458 10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.629 -0.836 10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.344 -2.635 10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.544 -1.275 9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.901 -2.710 8.618 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.233 -1.291 5.536 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.391 -0.752 4.848 1.00 0.00 C ATOM 1117 C LYS A 71 -4.774 0.578 5.491 1.00 0.00 C ATOM 1118 O LYS A 71 -5.014 0.650 6.698 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.550 -1.755 4.907 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.717 -1.425 3.988 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.622 -0.361 4.577 1.00 0.00 C ATOM 1122 CE LYS A 71 -8.723 0.027 3.610 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.505 1.180 4.118 1.00 0.00 N ATOM 0 H LYS A 71 -3.401 -2.171 6.024 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.157 -0.579 3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.171 -2.744 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.915 -1.809 5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.335 -1.084 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.296 -2.329 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.063 -0.729 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.032 0.520 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.288 0.278 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.386 -0.823 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.206 1.465 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.993 0.909 4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.864 1.976 4.311 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.814 1.627 4.687 1.00 0.00 N ATOM 1138 CA ALA A 72 -5.042 2.969 5.202 1.00 0.00 C ATOM 1139 C ALA A 72 -6.530 3.245 5.391 1.00 0.00 C ATOM 1140 O ALA A 72 -7.355 2.904 4.540 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.416 4.007 4.285 1.00 0.00 C ATOM 0 H ALA A 72 -4.692 1.577 3.676 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.564 3.037 6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.597 5.004 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.342 3.833 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.859 3.930 3.292 1.00 0.00 H new