USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 60 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.4!) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 8 TYR OH : rot 137:sc= 0.6 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0218) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-4.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0135) USER MOD Single : A 57 ASN : amide:sc= -2.76! K(o=-2.8!,f=-0.036) USER MOD Single : A 59 TYR OH : rot 150:sc= -0.131 USER MOD Single : A 62 THR OG1 : rot 112:sc= 0.539 USER MOD Single : A 72 THR OG1 : rot -84:sc= 0.0218 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -130:sc= -0.607 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.093 -5.403 -14.178 1.00 0.00 N ATOM 82 CA TYR A 6 3.854 -5.016 -14.928 1.00 0.00 C ATOM 83 C TYR A 6 3.690 -3.503 -14.780 1.00 0.00 C ATOM 84 O TYR A 6 4.477 -2.859 -14.106 1.00 0.00 O ATOM 85 CB TYR A 6 2.593 -5.742 -14.334 1.00 0.00 C ATOM 86 CG TYR A 6 2.934 -7.061 -13.604 1.00 0.00 C ATOM 87 CD1 TYR A 6 3.384 -7.061 -12.297 1.00 0.00 C ATOM 88 CD2 TYR A 6 2.784 -8.274 -14.243 1.00 0.00 C ATOM 89 CE1 TYR A 6 3.678 -8.235 -11.644 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.079 -9.449 -13.589 1.00 0.00 C ATOM 91 CZ TYR A 6 3.526 -9.444 -12.284 1.00 0.00 C ATOM 92 OH TYR A 6 3.811 -10.622 -11.625 1.00 0.00 O ATOM 0 HA TYR A 6 3.943 -5.305 -15.975 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.089 -5.070 -13.639 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.890 -5.952 -15.140 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.507 -6.121 -11.779 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.433 -8.302 -15.264 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.030 -8.208 -10.623 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.959 -10.390 -14.106 1.00 0.00 H new ATOM 0 HH TYR A 6 3.648 -11.380 -12.224 1.00 0.00 H new ATOM 102 N GLN A 7 2.670 -2.987 -15.420 1.00 0.00 N ATOM 103 CA GLN A 7 2.443 -1.509 -15.398 1.00 0.00 C ATOM 104 C GLN A 7 0.966 -1.130 -15.397 1.00 0.00 C ATOM 105 O GLN A 7 0.088 -1.926 -15.671 1.00 0.00 O ATOM 106 CB GLN A 7 3.127 -0.876 -16.631 1.00 0.00 C ATOM 107 CG GLN A 7 4.556 -0.456 -16.281 1.00 0.00 C ATOM 108 CD GLN A 7 5.234 0.066 -17.552 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.986 -0.634 -18.198 1.00 0.00 O ATOM 110 NE2 GLN A 7 4.995 1.289 -17.944 1.00 0.00 N ATOM 0 H GLN A 7 1.987 -3.523 -15.955 1.00 0.00 H new ATOM 0 HA GLN A 7 2.871 -1.131 -14.469 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.141 -1.589 -17.455 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.557 -0.010 -16.968 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.546 0.317 -15.512 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.111 -1.302 -15.876 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.364 1.883 -17.406 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.439 1.650 -18.788 1.00 0.00 H new ATOM 119 N TYR A 8 0.776 0.123 -15.077 1.00 0.00 N ATOM 120 CA TYR A 8 -0.578 0.718 -14.933 1.00 0.00 C ATOM 121 C TYR A 8 -0.501 2.148 -15.478 1.00 0.00 C ATOM 122 O TYR A 8 0.540 2.781 -15.443 1.00 0.00 O ATOM 123 CB TYR A 8 -0.978 0.754 -13.451 1.00 0.00 C ATOM 124 CG TYR A 8 -1.162 -0.670 -12.912 1.00 0.00 C ATOM 125 CD1 TYR A 8 -2.286 -1.406 -13.226 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.202 -1.233 -12.097 1.00 0.00 C ATOM 127 CE1 TYR A 8 -2.448 -2.683 -12.735 1.00 0.00 C ATOM 128 CE2 TYR A 8 -0.366 -2.511 -11.605 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.489 -3.245 -11.920 1.00 0.00 C ATOM 130 OH TYR A 8 -1.647 -4.522 -11.423 1.00 0.00 O ATOM 0 H TYR A 8 1.537 0.780 -14.904 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.319 0.130 -15.475 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.212 1.272 -12.874 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.903 1.317 -13.331 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.046 -0.977 -13.863 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.684 -0.670 -11.843 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.333 -3.248 -12.990 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.392 -2.940 -10.967 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.799 -5.008 -11.494 1.00 0.00 H new ATOM 140 N ARG A 9 -1.624 2.597 -15.964 1.00 0.00 N ATOM 141 CA ARG A 9 -1.774 4.002 -16.431 1.00 0.00 C ATOM 142 C ARG A 9 -2.869 4.623 -15.557 1.00 0.00 C ATOM 143 O ARG A 9 -4.006 4.192 -15.612 1.00 0.00 O ATOM 144 CB ARG A 9 -2.163 3.942 -17.927 1.00 0.00 C ATOM 145 CG ARG A 9 -2.559 5.339 -18.467 1.00 0.00 C ATOM 146 CD ARG A 9 -2.271 5.413 -19.982 1.00 0.00 C ATOM 147 NE ARG A 9 -2.649 6.781 -20.455 1.00 0.00 N ATOM 148 CZ ARG A 9 -3.488 6.956 -21.445 1.00 0.00 C ATOM 149 NH1 ARG A 9 -4.596 6.267 -21.489 1.00 0.00 N ATOM 150 NH2 ARG A 9 -3.188 7.827 -22.368 1.00 0.00 N ATOM 0 H ARG A 9 -2.467 2.031 -16.059 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.870 4.605 -16.344 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.327 3.551 -18.506 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.995 3.250 -18.060 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.616 5.526 -18.279 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.000 6.114 -17.943 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.217 5.218 -20.180 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.841 4.653 -20.516 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.244 7.597 -19.996 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.807 5.593 -20.753 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.250 6.402 -22.260 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.316 8.353 -22.308 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.825 7.982 -23.150 1.00 0.00 H new ATOM 164 N ALA A 10 -2.502 5.608 -14.772 1.00 0.00 N ATOM 165 CA ALA A 10 -3.534 6.403 -14.034 1.00 0.00 C ATOM 166 C ALA A 10 -4.579 6.928 -15.024 1.00 0.00 C ATOM 167 O ALA A 10 -4.245 7.640 -15.954 1.00 0.00 O ATOM 168 CB ALA A 10 -2.861 7.589 -13.317 1.00 0.00 C ATOM 0 H ALA A 10 -1.536 5.895 -14.611 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.021 5.766 -13.296 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.615 8.165 -12.781 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.121 7.214 -12.610 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.371 8.228 -14.052 1.00 0.00 H new ATOM 174 N LEU A 11 -5.808 6.549 -14.785 1.00 0.00 N ATOM 175 CA LEU A 11 -6.934 7.046 -15.628 1.00 0.00 C ATOM 176 C LEU A 11 -7.566 8.285 -14.990 1.00 0.00 C ATOM 177 O LEU A 11 -7.861 9.245 -15.677 1.00 0.00 O ATOM 178 CB LEU A 11 -7.984 5.930 -15.761 1.00 0.00 C ATOM 179 CG LEU A 11 -8.719 6.081 -17.124 1.00 0.00 C ATOM 180 CD1 LEU A 11 -7.891 5.380 -18.246 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.143 5.466 -17.021 1.00 0.00 C ATOM 0 H LEU A 11 -6.081 5.912 -14.036 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.559 7.320 -16.614 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.504 4.953 -15.699 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.699 5.987 -14.940 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.816 7.137 -17.375 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.407 5.487 -19.200 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.906 5.841 -18.313 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.781 4.322 -18.010 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.656 5.573 -17.977 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.065 4.409 -16.767 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.708 5.984 -16.246 1.00 0.00 H new ATOM 193 N TYR A 12 -7.752 8.212 -13.697 1.00 0.00 N ATOM 194 CA TYR A 12 -8.418 9.318 -12.946 1.00 0.00 C ATOM 195 C TYR A 12 -7.441 9.953 -11.959 1.00 0.00 C ATOM 196 O TYR A 12 -6.619 9.282 -11.363 1.00 0.00 O ATOM 197 CB TYR A 12 -9.636 8.750 -12.187 1.00 0.00 C ATOM 198 CG TYR A 12 -10.873 9.613 -12.484 1.00 0.00 C ATOM 199 CD1 TYR A 12 -11.135 10.747 -11.739 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.738 9.262 -13.501 1.00 0.00 C ATOM 201 CE1 TYR A 12 -12.247 11.516 -12.008 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.850 10.032 -13.769 1.00 0.00 C ATOM 203 CZ TYR A 12 -13.113 11.164 -13.023 1.00 0.00 C ATOM 204 OH TYR A 12 -14.225 11.936 -13.288 1.00 0.00 O ATOM 0 H TYR A 12 -7.466 7.420 -13.121 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.746 10.084 -13.649 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.818 7.719 -12.489 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.437 8.738 -11.115 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.465 11.032 -10.942 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -11.542 8.379 -14.091 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.442 12.401 -11.420 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -13.520 9.748 -14.567 1.00 0.00 H new ATOM 0 HH TYR A 12 -14.724 11.545 -14.035 1.00 0.00 H new ATOM 214 N ASP A 13 -7.576 11.244 -11.825 1.00 0.00 N ATOM 215 CA ASP A 13 -6.751 12.037 -10.880 1.00 0.00 C ATOM 216 C ASP A 13 -7.296 11.876 -9.452 1.00 0.00 C ATOM 217 O ASP A 13 -8.422 12.255 -9.189 1.00 0.00 O ATOM 218 CB ASP A 13 -6.820 13.486 -11.372 1.00 0.00 C ATOM 219 CG ASP A 13 -5.786 13.744 -12.489 1.00 0.00 C ATOM 220 OD1 ASP A 13 -5.748 12.933 -13.402 1.00 0.00 O ATOM 221 OD2 ASP A 13 -5.087 14.738 -12.372 1.00 0.00 O ATOM 0 H ASP A 13 -8.250 11.798 -12.353 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.714 11.704 -10.849 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.822 13.700 -11.744 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.637 14.165 -10.539 1.00 0.00 H new ATOM 226 N TYR A 14 -6.489 11.321 -8.581 1.00 0.00 N ATOM 227 CA TYR A 14 -6.902 11.114 -7.154 1.00 0.00 C ATOM 228 C TYR A 14 -5.929 11.865 -6.242 1.00 0.00 C ATOM 229 O TYR A 14 -4.728 11.744 -6.380 1.00 0.00 O ATOM 230 CB TYR A 14 -6.888 9.590 -6.868 1.00 0.00 C ATOM 231 CG TYR A 14 -6.850 9.248 -5.357 1.00 0.00 C ATOM 232 CD1 TYR A 14 -8.019 9.132 -4.629 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.643 9.038 -4.712 1.00 0.00 C ATOM 234 CE1 TYR A 14 -7.980 8.812 -3.287 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.607 8.719 -3.370 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.776 8.603 -2.647 1.00 0.00 C ATOM 237 OH TYR A 14 -6.738 8.281 -1.305 1.00 0.00 O ATOM 0 H TYR A 14 -5.547 10.997 -8.800 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.904 11.500 -6.968 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.773 9.136 -7.314 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.021 9.144 -7.356 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.970 9.293 -5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.720 9.125 -5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.902 8.724 -2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.657 8.559 -2.882 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.807 8.169 -1.022 1.00 0.00 H new ATOM 247 N LYS A 15 -6.487 12.616 -5.330 1.00 0.00 N ATOM 248 CA LYS A 15 -5.650 13.319 -4.313 1.00 0.00 C ATOM 249 C LYS A 15 -5.462 12.391 -3.106 1.00 0.00 C ATOM 250 O LYS A 15 -6.268 11.509 -2.882 1.00 0.00 O ATOM 251 CB LYS A 15 -6.379 14.615 -3.900 1.00 0.00 C ATOM 252 CG LYS A 15 -5.341 15.726 -3.656 1.00 0.00 C ATOM 253 CD LYS A 15 -6.052 17.007 -3.157 1.00 0.00 C ATOM 254 CE LYS A 15 -5.035 18.162 -3.045 1.00 0.00 C ATOM 255 NZ LYS A 15 -4.119 17.931 -1.893 1.00 0.00 N ATOM 0 H LYS A 15 -7.491 12.774 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.669 13.573 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.077 14.918 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.965 14.444 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.608 15.396 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.797 15.936 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.852 17.281 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.514 16.823 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.459 18.240 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.561 19.108 -2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.494 18.754 -1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.678 17.794 -1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.544 17.083 -2.071 1.00 0.00 H new ATOM 269 N LYS A 16 -4.407 12.618 -2.362 1.00 0.00 N ATOM 270 CA LYS A 16 -4.127 11.749 -1.175 1.00 0.00 C ATOM 271 C LYS A 16 -4.829 12.329 0.068 1.00 0.00 C ATOM 272 O LYS A 16 -4.755 13.512 0.339 1.00 0.00 O ATOM 273 CB LYS A 16 -2.581 11.683 -0.970 1.00 0.00 C ATOM 274 CG LYS A 16 -2.012 13.036 -0.449 1.00 0.00 C ATOM 275 CD LYS A 16 -0.493 13.130 -0.693 1.00 0.00 C ATOM 276 CE LYS A 16 0.281 12.183 0.243 1.00 0.00 C ATOM 277 NZ LYS A 16 1.732 12.520 0.222 1.00 0.00 N ATOM 0 H LYS A 16 -3.730 13.364 -2.524 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.510 10.741 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.341 10.890 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.099 11.424 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.516 13.863 -0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.219 13.135 0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.273 12.880 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.159 14.155 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.105 12.266 1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.135 11.149 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.247 11.876 0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.098 12.418 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.865 13.501 0.541 1.00 0.00 H new ATOM 291 N GLU A 17 -5.496 11.450 0.772 1.00 0.00 N ATOM 292 CA GLU A 17 -6.174 11.804 2.061 1.00 0.00 C ATOM 293 C GLU A 17 -5.476 11.099 3.238 1.00 0.00 C ATOM 294 O GLU A 17 -5.699 11.439 4.384 1.00 0.00 O ATOM 295 CB GLU A 17 -7.656 11.373 1.950 1.00 0.00 C ATOM 296 CG GLU A 17 -8.476 11.848 3.176 1.00 0.00 C ATOM 297 CD GLU A 17 -9.979 11.848 2.833 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.467 10.779 2.500 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.563 12.917 2.922 1.00 0.00 O ATOM 0 H GLU A 17 -5.603 10.473 0.500 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.117 12.877 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.089 11.785 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.716 10.288 1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.288 11.193 4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.161 12.849 3.470 1.00 0.00 H new ATOM 306 N ARG A 18 -4.654 10.140 2.898 1.00 0.00 N ATOM 307 CA ARG A 18 -3.920 9.328 3.916 1.00 0.00 C ATOM 308 C ARG A 18 -2.426 9.286 3.588 1.00 0.00 C ATOM 309 O ARG A 18 -2.026 9.339 2.440 1.00 0.00 O ATOM 310 CB ARG A 18 -4.499 7.901 3.924 1.00 0.00 C ATOM 311 CG ARG A 18 -4.230 7.212 5.291 1.00 0.00 C ATOM 312 CD ARG A 18 -5.312 7.606 6.324 1.00 0.00 C ATOM 313 NE ARG A 18 -6.635 7.102 5.849 1.00 0.00 N ATOM 314 CZ ARG A 18 -7.134 6.000 6.341 1.00 0.00 C ATOM 315 NH1 ARG A 18 -6.758 4.855 5.840 1.00 0.00 N ATOM 316 NH2 ARG A 18 -7.993 6.077 7.319 1.00 0.00 N ATOM 0 H ARG A 18 -4.456 9.879 1.932 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.041 9.782 4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.572 7.936 3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.051 7.316 3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.220 6.130 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.246 7.499 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.075 7.182 7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.342 8.689 6.445 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.151 7.620 5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.084 4.830 5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.139 3.985 6.213 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.265 6.988 7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.393 5.226 7.715 1.00 0.00 H new ATOM 330 N GLU A 19 -1.651 9.187 4.637 1.00 0.00 N ATOM 331 CA GLU A 19 -0.163 9.069 4.511 1.00 0.00 C ATOM 332 C GLU A 19 0.256 7.716 3.910 1.00 0.00 C ATOM 333 O GLU A 19 1.396 7.536 3.524 1.00 0.00 O ATOM 334 CB GLU A 19 0.481 9.235 5.915 1.00 0.00 C ATOM 335 CG GLU A 19 -0.287 10.297 6.749 1.00 0.00 C ATOM 336 CD GLU A 19 0.666 11.041 7.702 1.00 0.00 C ATOM 337 OE1 GLU A 19 1.258 10.362 8.527 1.00 0.00 O ATOM 338 OE2 GLU A 19 0.749 12.250 7.555 1.00 0.00 O ATOM 0 H GLU A 19 -1.993 9.183 5.598 1.00 0.00 H new ATOM 0 HA GLU A 19 0.183 9.852 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.474 8.279 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.524 9.533 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.770 11.010 6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.077 9.813 7.323 1.00 0.00 H new ATOM 345 N GLU A 20 -0.690 6.813 3.852 1.00 0.00 N ATOM 346 CA GLU A 20 -0.456 5.467 3.230 1.00 0.00 C ATOM 347 C GLU A 20 -0.543 5.532 1.692 1.00 0.00 C ATOM 348 O GLU A 20 -0.048 4.654 1.012 1.00 0.00 O ATOM 349 CB GLU A 20 -1.512 4.476 3.768 1.00 0.00 C ATOM 350 CG GLU A 20 -0.944 3.037 3.734 1.00 0.00 C ATOM 351 CD GLU A 20 -2.078 2.038 4.023 1.00 0.00 C ATOM 352 OE1 GLU A 20 -2.803 1.760 3.080 1.00 0.00 O ATOM 353 OE2 GLU A 20 -2.157 1.609 5.165 1.00 0.00 O ATOM 0 H GLU A 20 -1.633 6.951 4.215 1.00 0.00 H new ATOM 0 HA GLU A 20 0.548 5.134 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.789 4.744 4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.419 4.534 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.501 2.831 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.151 2.929 4.474 1.00 0.00 H new ATOM 360 N ASP A 21 -1.178 6.569 1.202 1.00 0.00 N ATOM 361 CA ASP A 21 -1.276 6.802 -0.275 1.00 0.00 C ATOM 362 C ASP A 21 -0.429 7.998 -0.711 1.00 0.00 C ATOM 363 O ASP A 21 -0.081 8.842 0.090 1.00 0.00 O ATOM 364 CB ASP A 21 -2.760 7.040 -0.624 1.00 0.00 C ATOM 365 CG ASP A 21 -3.398 5.708 -1.062 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.321 4.782 -0.267 1.00 0.00 O ATOM 367 OD2 ASP A 21 -3.924 5.697 -2.166 1.00 0.00 O ATOM 0 H ASP A 21 -1.641 7.276 1.773 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.893 5.930 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.289 7.443 0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.844 7.777 -1.422 1.00 0.00 H new ATOM 372 N ILE A 22 -0.132 8.008 -1.985 1.00 0.00 N ATOM 373 CA ILE A 22 0.586 9.151 -2.636 1.00 0.00 C ATOM 374 C ILE A 22 -0.349 9.913 -3.588 1.00 0.00 C ATOM 375 O ILE A 22 -1.485 9.529 -3.789 1.00 0.00 O ATOM 376 CB ILE A 22 1.809 8.591 -3.419 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.414 7.287 -4.180 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.960 8.283 -2.426 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.344 7.060 -5.383 1.00 0.00 C ATOM 0 H ILE A 22 -0.364 7.247 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 22 0.922 9.849 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 22 2.137 9.336 -4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.470 6.434 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.381 7.357 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.817 7.891 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.248 9.198 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.625 7.544 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.053 6.146 -5.901 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.267 7.905 -6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.373 6.968 -5.035 1.00 0.00 H new ATOM 391 N ASP A 23 0.180 10.972 -4.147 1.00 0.00 N ATOM 392 CA ASP A 23 -0.606 11.817 -5.100 1.00 0.00 C ATOM 393 C ASP A 23 -0.768 11.083 -6.437 1.00 0.00 C ATOM 394 O ASP A 23 0.159 10.450 -6.906 1.00 0.00 O ATOM 395 CB ASP A 23 0.135 13.138 -5.330 1.00 0.00 C ATOM 396 CG ASP A 23 0.090 13.976 -4.041 1.00 0.00 C ATOM 397 OD1 ASP A 23 -0.996 14.440 -3.729 1.00 0.00 O ATOM 398 OD2 ASP A 23 1.145 14.105 -3.441 1.00 0.00 O ATOM 0 H ASP A 23 1.135 11.292 -3.982 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.592 12.014 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.169 12.944 -5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.324 13.688 -6.151 1.00 0.00 H new ATOM 403 N LEU A 24 -1.942 11.196 -7.003 1.00 0.00 N ATOM 404 CA LEU A 24 -2.224 10.576 -8.334 1.00 0.00 C ATOM 405 C LEU A 24 -2.802 11.616 -9.301 1.00 0.00 C ATOM 406 O LEU A 24 -3.764 12.291 -8.985 1.00 0.00 O ATOM 407 CB LEU A 24 -3.219 9.417 -8.132 1.00 0.00 C ATOM 408 CG LEU A 24 -2.468 8.192 -7.539 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.455 7.276 -6.758 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.756 7.403 -8.681 1.00 0.00 C ATOM 0 H LEU A 24 -2.729 11.699 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.298 10.198 -8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.022 9.725 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.681 9.150 -9.082 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.711 8.543 -6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.914 6.423 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.910 7.841 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.234 6.922 -7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.232 6.546 -8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.497 7.056 -9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.041 8.055 -9.183 1.00 0.00 H new ATOM 422 N HIS A 25 -2.190 11.708 -10.454 1.00 0.00 N ATOM 423 CA HIS A 25 -2.681 12.645 -11.513 1.00 0.00 C ATOM 424 C HIS A 25 -2.530 11.997 -12.895 1.00 0.00 C ATOM 425 O HIS A 25 -2.128 10.856 -13.004 1.00 0.00 O ATOM 426 CB HIS A 25 -1.877 13.996 -11.463 1.00 0.00 C ATOM 427 CG HIS A 25 -0.568 13.896 -10.674 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.429 13.501 -9.449 1.00 0.00 N ATOM 429 CD2 HIS A 25 0.717 14.191 -11.083 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.820 13.546 -9.115 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.573 13.968 -10.101 1.00 0.00 N ATOM 0 H HIS A 25 -1.363 11.169 -10.711 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.734 12.858 -11.331 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.655 14.316 -12.481 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.504 14.767 -11.016 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.985 14.552 -12.065 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.197 13.269 -8.141 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.585 14.095 -10.109 1.00 0.00 H new ATOM 439 N LEU A 26 -2.862 12.745 -13.918 1.00 0.00 N ATOM 440 CA LEU A 26 -2.678 12.239 -15.314 1.00 0.00 C ATOM 441 C LEU A 26 -1.194 11.955 -15.601 1.00 0.00 C ATOM 442 O LEU A 26 -0.318 12.553 -15.008 1.00 0.00 O ATOM 443 CB LEU A 26 -3.229 13.303 -16.305 1.00 0.00 C ATOM 444 CG LEU A 26 -4.722 12.983 -16.636 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.475 14.267 -17.088 1.00 0.00 C ATOM 446 CD2 LEU A 26 -4.808 11.888 -17.738 1.00 0.00 C ATOM 0 H LEU A 26 -3.253 13.685 -13.847 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.223 11.303 -15.436 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.147 14.299 -15.869 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.635 13.306 -17.219 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.201 12.608 -15.731 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.513 14.020 -17.313 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.443 15.008 -16.289 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.997 14.674 -17.979 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.854 11.675 -17.959 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.311 12.241 -18.642 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.319 10.979 -17.387 1.00 0.00 H new ATOM 458 N GLY A 27 -0.966 11.039 -16.509 1.00 0.00 N ATOM 459 CA GLY A 27 0.430 10.678 -16.917 1.00 0.00 C ATOM 460 C GLY A 27 1.190 9.863 -15.866 1.00 0.00 C ATOM 461 O GLY A 27 2.244 9.332 -16.158 1.00 0.00 O ATOM 0 H GLY A 27 -1.697 10.518 -16.992 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.391 10.109 -17.846 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.985 11.592 -17.126 1.00 0.00 H new ATOM 465 N ASP A 28 0.637 9.788 -14.683 1.00 0.00 N ATOM 466 CA ASP A 28 1.259 8.972 -13.593 1.00 0.00 C ATOM 467 C ASP A 28 1.227 7.495 -13.993 1.00 0.00 C ATOM 468 O ASP A 28 0.241 6.810 -13.792 1.00 0.00 O ATOM 469 CB ASP A 28 0.470 9.183 -12.282 1.00 0.00 C ATOM 470 CG ASP A 28 0.708 10.592 -11.695 1.00 0.00 C ATOM 471 OD1 ASP A 28 0.658 11.540 -12.465 1.00 0.00 O ATOM 472 OD2 ASP A 28 0.924 10.641 -10.495 1.00 0.00 O ATOM 0 H ASP A 28 -0.228 10.262 -14.421 1.00 0.00 H new ATOM 0 HA ASP A 28 2.293 9.281 -13.439 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.594 9.042 -12.471 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.767 8.429 -11.553 1.00 0.00 H new ATOM 477 N ILE A 29 2.319 7.048 -14.554 1.00 0.00 N ATOM 478 CA ILE A 29 2.495 5.589 -14.792 1.00 0.00 C ATOM 479 C ILE A 29 3.188 4.953 -13.599 1.00 0.00 C ATOM 480 O ILE A 29 4.174 5.455 -13.093 1.00 0.00 O ATOM 481 CB ILE A 29 3.306 5.429 -16.110 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.242 5.376 -17.223 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.155 4.111 -16.157 1.00 0.00 C ATOM 484 CD1 ILE A 29 2.811 5.835 -18.580 1.00 0.00 C ATOM 0 H ILE A 29 3.097 7.633 -14.858 1.00 0.00 H new ATOM 0 HA ILE A 29 1.538 5.078 -14.901 1.00 0.00 H new ATOM 0 HB ILE A 29 4.018 6.248 -16.211 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.861 4.359 -17.314 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.398 6.009 -16.950 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.696 4.060 -17.102 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.866 4.107 -15.331 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.494 3.249 -16.071 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.030 5.783 -19.338 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.168 6.861 -18.496 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.638 5.185 -18.866 1.00 0.00 H new ATOM 496 N LEU A 30 2.602 3.851 -13.209 1.00 0.00 N ATOM 497 CA LEU A 30 3.091 3.081 -12.037 1.00 0.00 C ATOM 498 C LEU A 30 3.647 1.732 -12.528 1.00 0.00 C ATOM 499 O LEU A 30 3.149 1.174 -13.487 1.00 0.00 O ATOM 500 CB LEU A 30 1.907 2.846 -11.048 1.00 0.00 C ATOM 501 CG LEU A 30 1.668 4.048 -10.080 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.281 5.324 -10.880 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.502 3.691 -9.116 1.00 0.00 C ATOM 0 H LEU A 30 1.786 3.447 -13.668 1.00 0.00 H new ATOM 0 HA LEU A 30 3.879 3.632 -11.523 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.997 2.660 -11.618 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.104 1.949 -10.461 1.00 0.00 H new ATOM 0 HG LEU A 30 2.585 4.242 -9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.118 6.151 -10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.086 5.580 -11.569 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.367 5.137 -11.444 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.325 4.523 -8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.402 3.497 -9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.763 2.802 -8.542 1.00 0.00 H new ATOM 515 N THR A 31 4.666 1.260 -11.848 1.00 0.00 N ATOM 516 CA THR A 31 5.403 0.024 -12.281 1.00 0.00 C ATOM 517 C THR A 31 5.563 -0.893 -11.071 1.00 0.00 C ATOM 518 O THR A 31 5.537 -0.433 -9.946 1.00 0.00 O ATOM 519 CB THR A 31 6.796 0.406 -12.823 1.00 0.00 C ATOM 520 OG1 THR A 31 6.577 1.411 -13.808 1.00 0.00 O ATOM 521 CG2 THR A 31 7.448 -0.778 -13.594 1.00 0.00 C ATOM 0 H THR A 31 5.026 1.687 -10.994 1.00 0.00 H new ATOM 0 HA THR A 31 4.845 -0.483 -13.068 1.00 0.00 H new ATOM 0 HB THR A 31 7.431 0.708 -11.990 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.437 1.692 -14.185 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.428 -0.476 -13.963 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.559 -1.631 -12.925 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.814 -1.057 -14.435 1.00 0.00 H new ATOM 529 N VAL A 32 5.721 -2.166 -11.327 1.00 0.00 N ATOM 530 CA VAL A 32 5.670 -3.170 -10.227 1.00 0.00 C ATOM 531 C VAL A 32 6.778 -4.212 -10.441 1.00 0.00 C ATOM 532 O VAL A 32 7.412 -4.245 -11.479 1.00 0.00 O ATOM 533 CB VAL A 32 4.250 -3.861 -10.226 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.599 -3.689 -8.819 1.00 0.00 C ATOM 535 CG2 VAL A 32 3.263 -3.312 -11.322 1.00 0.00 C ATOM 0 H VAL A 32 5.884 -2.553 -12.256 1.00 0.00 H new ATOM 0 HA VAL A 32 5.828 -2.684 -9.264 1.00 0.00 H new ATOM 0 HB VAL A 32 4.420 -4.911 -10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.618 -4.164 -8.811 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.234 -4.155 -8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.490 -2.628 -8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.312 -3.840 -11.252 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.099 -2.246 -11.163 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.694 -3.469 -12.311 1.00 0.00 H new ATOM 545 N ASN A 33 6.974 -5.027 -9.436 1.00 0.00 N ATOM 546 CA ASN A 33 7.966 -6.142 -9.536 1.00 0.00 C ATOM 547 C ASN A 33 7.461 -7.197 -10.521 1.00 0.00 C ATOM 548 O ASN A 33 6.273 -7.319 -10.737 1.00 0.00 O ATOM 549 CB ASN A 33 8.176 -6.754 -8.106 1.00 0.00 C ATOM 550 CG ASN A 33 9.654 -6.588 -7.726 1.00 0.00 C ATOM 551 OD1 ASN A 33 10.189 -5.496 -7.704 1.00 0.00 O ATOM 552 ND2 ASN A 33 10.344 -7.652 -7.421 1.00 0.00 N ATOM 0 H ASN A 33 6.485 -4.968 -8.543 1.00 0.00 H new ATOM 0 HA ASN A 33 8.921 -5.770 -9.907 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.538 -6.251 -7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.898 -7.808 -8.099 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.328 -7.566 -7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.900 -8.570 -7.438 1.00 0.00 H new ATOM 737 N GLU A 47 -2.870 -10.239 -13.136 1.00 0.00 N ATOM 738 CA GLU A 47 -2.861 -8.788 -12.748 1.00 0.00 C ATOM 739 C GLU A 47 -3.479 -7.878 -13.836 1.00 0.00 C ATOM 740 O GLU A 47 -3.627 -6.686 -13.631 1.00 0.00 O ATOM 741 CB GLU A 47 -1.389 -8.355 -12.471 1.00 0.00 C ATOM 742 CG GLU A 47 -1.264 -7.794 -11.029 1.00 0.00 C ATOM 743 CD GLU A 47 0.184 -7.324 -10.755 1.00 0.00 C ATOM 744 OE1 GLU A 47 0.591 -6.401 -11.444 1.00 0.00 O ATOM 745 OE2 GLU A 47 0.804 -7.906 -9.875 1.00 0.00 O ATOM 0 HA GLU A 47 -3.475 -8.674 -11.855 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.721 -9.207 -12.598 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.082 -7.598 -13.193 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.955 -6.961 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.546 -8.561 -10.308 1.00 0.00 H new ATOM 752 N ALA A 48 -3.820 -8.472 -14.954 1.00 0.00 N ATOM 753 CA ALA A 48 -4.545 -7.746 -16.045 1.00 0.00 C ATOM 754 C ALA A 48 -5.993 -7.375 -15.684 1.00 0.00 C ATOM 755 O ALA A 48 -6.651 -6.706 -16.457 1.00 0.00 O ATOM 756 CB ALA A 48 -4.548 -8.629 -17.317 1.00 0.00 C ATOM 0 H ALA A 48 -3.622 -9.451 -15.161 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.015 -6.808 -16.208 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.074 -8.110 -18.119 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.521 -8.827 -17.625 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.051 -9.572 -17.104 1.00 0.00 H new ATOM 762 N LYS A 49 -6.444 -7.813 -14.534 1.00 0.00 N ATOM 763 CA LYS A 49 -7.832 -7.491 -14.067 1.00 0.00 C ATOM 764 C LYS A 49 -7.749 -6.774 -12.697 1.00 0.00 C ATOM 765 O LYS A 49 -7.962 -7.392 -11.669 1.00 0.00 O ATOM 766 CB LYS A 49 -8.630 -8.827 -13.962 1.00 0.00 C ATOM 767 CG LYS A 49 -9.452 -9.106 -15.247 1.00 0.00 C ATOM 768 CD LYS A 49 -8.517 -9.404 -16.455 1.00 0.00 C ATOM 769 CE LYS A 49 -9.024 -10.624 -17.248 1.00 0.00 C ATOM 770 NZ LYS A 49 -8.774 -11.884 -16.489 1.00 0.00 N ATOM 0 H LYS A 49 -5.902 -8.388 -13.889 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.342 -6.828 -14.766 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.939 -9.651 -13.786 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.300 -8.784 -13.103 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.117 -9.953 -15.080 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.082 -8.246 -15.474 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.470 -8.533 -17.109 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.504 -9.591 -16.100 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.091 -10.518 -17.446 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.523 -10.670 -18.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.996 -12.702 -17.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.775 -11.925 -16.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.377 -11.904 -15.642 1.00 0.00 H new ATOM 784 N PRO A 50 -7.440 -5.492 -12.706 1.00 0.00 N ATOM 785 CA PRO A 50 -7.498 -4.656 -11.475 1.00 0.00 C ATOM 786 C PRO A 50 -8.917 -4.569 -10.894 1.00 0.00 C ATOM 787 O PRO A 50 -9.093 -4.238 -9.736 1.00 0.00 O ATOM 788 CB PRO A 50 -6.969 -3.274 -11.871 1.00 0.00 C ATOM 789 CG PRO A 50 -6.649 -3.322 -13.395 1.00 0.00 C ATOM 790 CD PRO A 50 -7.007 -4.733 -13.910 1.00 0.00 C ATOM 0 HA PRO A 50 -6.894 -5.101 -10.684 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.709 -2.503 -11.658 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.076 -3.025 -11.298 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.222 -2.564 -13.929 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.595 -3.108 -13.571 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.802 -4.690 -14.655 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.149 -5.207 -14.386 1.00 0.00 H new ATOM 798 N GLU A 51 -9.880 -4.874 -11.725 1.00 0.00 N ATOM 799 CA GLU A 51 -11.321 -4.721 -11.345 1.00 0.00 C ATOM 800 C GLU A 51 -11.688 -5.527 -10.090 1.00 0.00 C ATOM 801 O GLU A 51 -12.427 -5.044 -9.251 1.00 0.00 O ATOM 802 CB GLU A 51 -12.210 -5.183 -12.521 1.00 0.00 C ATOM 803 CG GLU A 51 -11.569 -6.372 -13.278 1.00 0.00 C ATOM 804 CD GLU A 51 -12.637 -7.080 -14.128 1.00 0.00 C ATOM 805 OE1 GLU A 51 -13.136 -6.425 -15.029 1.00 0.00 O ATOM 806 OE2 GLU A 51 -12.893 -8.237 -13.831 1.00 0.00 O ATOM 0 H GLU A 51 -9.728 -5.229 -12.669 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.489 -3.668 -11.120 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.191 -5.475 -12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.366 -4.353 -13.210 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.760 -6.016 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.131 -7.074 -12.568 1.00 0.00 H new ATOM 813 N GLU A 52 -11.165 -6.720 -9.996 1.00 0.00 N ATOM 814 CA GLU A 52 -11.516 -7.615 -8.847 1.00 0.00 C ATOM 815 C GLU A 52 -10.540 -7.384 -7.686 1.00 0.00 C ATOM 816 O GLU A 52 -10.883 -7.587 -6.537 1.00 0.00 O ATOM 817 CB GLU A 52 -11.450 -9.084 -9.321 1.00 0.00 C ATOM 818 CG GLU A 52 -10.216 -9.310 -10.225 1.00 0.00 C ATOM 819 CD GLU A 52 -9.890 -10.812 -10.330 1.00 0.00 C ATOM 820 OE1 GLU A 52 -10.776 -11.535 -10.761 1.00 0.00 O ATOM 821 OE2 GLU A 52 -8.772 -11.156 -9.975 1.00 0.00 O ATOM 0 H GLU A 52 -10.507 -7.118 -10.666 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.524 -7.391 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.402 -9.748 -8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.359 -9.337 -9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.406 -8.903 -11.218 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.358 -8.773 -9.820 1.00 0.00 H new ATOM 828 N ILE A 53 -9.350 -6.960 -8.030 1.00 0.00 N ATOM 829 CA ILE A 53 -8.312 -6.651 -6.998 1.00 0.00 C ATOM 830 C ILE A 53 -8.709 -5.376 -6.237 1.00 0.00 C ATOM 831 O ILE A 53 -9.331 -4.494 -6.799 1.00 0.00 O ATOM 832 CB ILE A 53 -6.965 -6.462 -7.715 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.569 -7.796 -8.399 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.871 -6.073 -6.694 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.512 -7.562 -9.497 1.00 0.00 C ATOM 0 H ILE A 53 -9.050 -6.813 -8.994 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.229 -7.464 -6.277 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.059 -5.670 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.177 -8.488 -7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.453 -8.262 -8.834 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.921 -5.941 -7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.148 -5.141 -6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.772 -6.862 -5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.252 -8.514 -9.961 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.916 -6.888 -10.253 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.620 -7.118 -9.055 1.00 0.00 H new ATOM 847 N GLY A 54 -8.332 -5.325 -4.982 1.00 0.00 N ATOM 848 CA GLY A 54 -8.637 -4.128 -4.144 1.00 0.00 C ATOM 849 C GLY A 54 -7.504 -3.111 -4.260 1.00 0.00 C ATOM 850 O GLY A 54 -7.476 -2.307 -5.172 1.00 0.00 O ATOM 0 H GLY A 54 -7.823 -6.067 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.576 -3.678 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.766 -4.425 -3.103 1.00 0.00 H new ATOM 854 N TRP A 55 -6.609 -3.199 -3.318 1.00 0.00 N ATOM 855 CA TRP A 55 -5.462 -2.246 -3.249 1.00 0.00 C ATOM 856 C TRP A 55 -4.276 -2.785 -4.053 1.00 0.00 C ATOM 857 O TRP A 55 -4.035 -3.975 -4.103 1.00 0.00 O ATOM 858 CB TRP A 55 -5.082 -2.060 -1.769 1.00 0.00 C ATOM 859 CG TRP A 55 -5.996 -0.970 -1.195 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.160 -1.195 -0.530 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.784 0.365 -1.276 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.577 0.023 -0.251 1.00 0.00 N ATOM 863 CE2 TRP A 55 -6.819 1.030 -0.658 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.752 1.083 -1.851 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -6.831 2.409 -0.607 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -4.765 2.456 -1.797 1.00 0.00 C ATOM 867 CH2 TRP A 55 -5.803 3.121 -1.180 1.00 0.00 C ATOM 0 H TRP A 55 -6.622 -3.902 -2.579 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.742 -1.285 -3.680 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.207 -2.994 -1.220 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.035 -1.772 -1.675 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.627 -2.139 -0.290 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.447 0.184 0.257 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.939 0.567 -2.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.644 2.927 -0.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -3.957 3.018 -2.241 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.809 4.200 -1.147 1.00 0.00 H new ATOM 878 N LEU A 56 -3.582 -1.856 -4.657 1.00 0.00 N ATOM 879 CA LEU A 56 -2.383 -2.172 -5.492 1.00 0.00 C ATOM 880 C LEU A 56 -1.187 -1.492 -4.832 1.00 0.00 C ATOM 881 O LEU A 56 -1.273 -0.336 -4.472 1.00 0.00 O ATOM 882 CB LEU A 56 -2.560 -1.616 -6.923 1.00 0.00 C ATOM 883 CG LEU A 56 -3.647 -2.370 -7.729 1.00 0.00 C ATOM 884 CD1 LEU A 56 -3.727 -1.808 -9.177 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.285 -3.846 -7.830 1.00 0.00 C ATOM 0 H LEU A 56 -3.803 -0.862 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.242 -3.251 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.822 -0.560 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.610 -1.681 -7.453 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.600 -2.240 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.494 -2.346 -9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.979 -0.748 -9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.764 -1.936 -9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.053 -4.371 -8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.325 -3.951 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.218 -4.273 -6.830 1.00 0.00 H new ATOM 897 N ASN A 57 -0.115 -2.226 -4.692 1.00 0.00 N ATOM 898 CA ASN A 57 1.150 -1.631 -4.149 1.00 0.00 C ATOM 899 C ASN A 57 2.210 -1.582 -5.259 1.00 0.00 C ATOM 900 O ASN A 57 2.608 -2.610 -5.777 1.00 0.00 O ATOM 901 CB ASN A 57 1.642 -2.495 -2.974 1.00 0.00 C ATOM 902 CG ASN A 57 0.963 -2.061 -1.669 1.00 0.00 C ATOM 903 OD1 ASN A 57 1.540 -2.129 -0.601 1.00 0.00 O ATOM 904 ND2 ASN A 57 -0.260 -1.609 -1.707 1.00 0.00 N ATOM 0 H ASN A 57 -0.057 -3.216 -4.930 1.00 0.00 H new ATOM 0 HA ASN A 57 0.968 -0.616 -3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.427 -3.545 -3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.724 -2.404 -2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.723 -1.317 -0.846 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.754 -1.548 -2.598 1.00 0.00 H new ATOM 911 N GLY A 58 2.628 -0.382 -5.586 1.00 0.00 N ATOM 912 CA GLY A 58 3.620 -0.200 -6.691 1.00 0.00 C ATOM 913 C GLY A 58 4.376 1.130 -6.572 1.00 0.00 C ATOM 914 O GLY A 58 4.103 1.943 -5.708 1.00 0.00 O ATOM 0 H GLY A 58 2.324 0.480 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.333 -1.025 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.105 -0.240 -7.651 1.00 0.00 H new ATOM 918 N TYR A 59 5.318 1.293 -7.470 1.00 0.00 N ATOM 919 CA TYR A 59 6.185 2.513 -7.493 1.00 0.00 C ATOM 920 C TYR A 59 5.606 3.549 -8.463 1.00 0.00 C ATOM 921 O TYR A 59 4.969 3.205 -9.439 1.00 0.00 O ATOM 922 CB TYR A 59 7.605 2.103 -7.942 1.00 0.00 C ATOM 923 CG TYR A 59 8.476 1.699 -6.737 1.00 0.00 C ATOM 924 CD1 TYR A 59 8.005 0.837 -5.761 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.760 2.196 -6.622 1.00 0.00 C ATOM 926 CE1 TYR A 59 8.804 0.481 -4.696 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.558 1.840 -5.556 1.00 0.00 C ATOM 928 CZ TYR A 59 10.086 0.980 -4.586 1.00 0.00 C ATOM 929 OH TYR A 59 10.883 0.619 -3.519 1.00 0.00 O ATOM 0 H TYR A 59 5.526 0.616 -8.204 1.00 0.00 H new ATOM 0 HA TYR A 59 6.226 2.956 -6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.541 1.271 -8.643 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.075 2.931 -8.472 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.003 0.440 -5.835 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.142 2.870 -7.375 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.424 -0.193 -3.942 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.559 2.237 -5.480 1.00 0.00 H new ATOM 0 HH TYR A 59 11.823 0.630 -3.795 1.00 0.00 H new ATOM 939 N ASN A 60 5.860 4.791 -8.141 1.00 0.00 N ATOM 940 CA ASN A 60 5.410 5.943 -8.986 1.00 0.00 C ATOM 941 C ASN A 60 6.643 6.797 -9.318 1.00 0.00 C ATOM 942 O ASN A 60 6.757 7.943 -8.926 1.00 0.00 O ATOM 943 CB ASN A 60 4.346 6.722 -8.165 1.00 0.00 C ATOM 944 CG ASN A 60 3.431 7.606 -9.037 1.00 0.00 C ATOM 945 OD1 ASN A 60 2.345 7.963 -8.625 1.00 0.00 O ATOM 946 ND2 ASN A 60 3.797 7.988 -10.230 1.00 0.00 N ATOM 0 H ASN A 60 6.375 5.064 -7.304 1.00 0.00 H new ATOM 0 HA ASN A 60 4.960 5.633 -9.929 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.733 6.011 -7.611 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.851 7.348 -7.430 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.177 8.572 -10.791 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.703 7.703 -10.601 1.00 0.00 H new ATOM 953 N GLU A 61 7.537 6.177 -10.048 1.00 0.00 N ATOM 954 CA GLU A 61 8.789 6.856 -10.520 1.00 0.00 C ATOM 955 C GLU A 61 8.478 8.148 -11.293 1.00 0.00 C ATOM 956 O GLU A 61 9.301 9.041 -11.345 1.00 0.00 O ATOM 957 CB GLU A 61 9.578 5.897 -11.441 1.00 0.00 C ATOM 958 CG GLU A 61 9.916 4.579 -10.702 1.00 0.00 C ATOM 959 CD GLU A 61 10.914 3.755 -11.540 1.00 0.00 C ATOM 960 OE1 GLU A 61 12.099 4.010 -11.388 1.00 0.00 O ATOM 961 OE2 GLU A 61 10.435 2.913 -12.285 1.00 0.00 O ATOM 0 H GLU A 61 7.451 5.205 -10.345 1.00 0.00 H new ATOM 0 HA GLU A 61 9.379 7.117 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.992 5.679 -12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.497 6.379 -11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.342 4.799 -9.723 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.007 4.003 -10.532 1.00 0.00 H new ATOM 968 N THR A 62 7.297 8.195 -11.864 1.00 0.00 N ATOM 969 CA THR A 62 6.808 9.431 -12.559 1.00 0.00 C ATOM 970 C THR A 62 6.937 10.659 -11.648 1.00 0.00 C ATOM 971 O THR A 62 7.465 11.676 -12.052 1.00 0.00 O ATOM 972 CB THR A 62 5.321 9.221 -12.965 1.00 0.00 C ATOM 973 OG1 THR A 62 5.327 8.040 -13.760 1.00 0.00 O ATOM 974 CG2 THR A 62 4.806 10.338 -13.906 1.00 0.00 C ATOM 0 H THR A 62 6.640 7.415 -11.878 1.00 0.00 H new ATOM 0 HA THR A 62 7.416 9.608 -13.446 1.00 0.00 H new ATOM 0 HB THR A 62 4.700 9.195 -12.070 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.866 7.320 -13.280 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.764 10.147 -14.161 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.886 11.302 -13.404 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.406 10.352 -14.816 1.00 0.00 H new ATOM 982 N THR A 63 6.450 10.509 -10.443 1.00 0.00 N ATOM 983 CA THR A 63 6.541 11.603 -9.423 1.00 0.00 C ATOM 984 C THR A 63 7.774 11.436 -8.517 1.00 0.00 C ATOM 985 O THR A 63 8.035 12.279 -7.680 1.00 0.00 O ATOM 986 CB THR A 63 5.258 11.588 -8.569 1.00 0.00 C ATOM 987 OG1 THR A 63 5.084 10.239 -8.150 1.00 0.00 O ATOM 988 CG2 THR A 63 4.014 11.919 -9.426 1.00 0.00 C ATOM 0 H THR A 63 5.985 9.662 -10.116 1.00 0.00 H new ATOM 0 HA THR A 63 6.644 12.556 -9.942 1.00 0.00 H new ATOM 0 HB THR A 63 5.352 12.310 -7.758 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.277 10.169 -7.598 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.124 11.901 -8.797 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.128 12.910 -9.865 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.912 11.179 -10.220 1.00 0.00 H new ATOM 996 N GLY A 64 8.494 10.358 -8.712 1.00 0.00 N ATOM 997 CA GLY A 64 9.683 10.068 -7.851 1.00 0.00 C ATOM 998 C GLY A 64 9.229 9.721 -6.432 1.00 0.00 C ATOM 999 O GLY A 64 9.810 10.160 -5.458 1.00 0.00 O ATOM 0 H GLY A 64 8.308 9.663 -9.435 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.254 9.240 -8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.346 10.933 -7.828 1.00 0.00 H new ATOM 1003 N GLU A 65 8.188 8.932 -6.377 1.00 0.00 N ATOM 1004 CA GLU A 65 7.646 8.441 -5.075 1.00 0.00 C ATOM 1005 C GLU A 65 7.198 6.985 -5.244 1.00 0.00 C ATOM 1006 O GLU A 65 7.288 6.433 -6.323 1.00 0.00 O ATOM 1007 CB GLU A 65 6.457 9.357 -4.673 1.00 0.00 C ATOM 1008 CG GLU A 65 6.494 9.682 -3.161 1.00 0.00 C ATOM 1009 CD GLU A 65 7.745 10.519 -2.822 1.00 0.00 C ATOM 1010 OE1 GLU A 65 7.688 11.709 -3.089 1.00 0.00 O ATOM 1011 OE2 GLU A 65 8.686 9.928 -2.316 1.00 0.00 O ATOM 0 H GLU A 65 7.680 8.600 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 65 8.401 8.475 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.495 10.282 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.516 8.866 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.595 10.229 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.500 8.757 -2.584 1.00 0.00 H new ATOM 1018 N ARG A 66 6.729 6.412 -4.166 1.00 0.00 N ATOM 1019 CA ARG A 66 6.111 5.052 -4.214 1.00 0.00 C ATOM 1020 C ARG A 66 5.000 4.986 -3.160 1.00 0.00 C ATOM 1021 O ARG A 66 5.074 5.673 -2.158 1.00 0.00 O ATOM 1022 CB ARG A 66 7.206 3.989 -3.925 1.00 0.00 C ATOM 1023 CG ARG A 66 7.736 4.118 -2.461 1.00 0.00 C ATOM 1024 CD ARG A 66 9.120 3.460 -2.324 1.00 0.00 C ATOM 1025 NE ARG A 66 10.095 4.233 -3.155 1.00 0.00 N ATOM 1026 CZ ARG A 66 11.385 4.011 -3.106 1.00 0.00 C ATOM 1027 NH1 ARG A 66 11.875 3.030 -2.396 1.00 0.00 N ATOM 1028 NH2 ARG A 66 12.162 4.801 -3.791 1.00 0.00 N ATOM 0 H ARG A 66 6.748 6.836 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 66 5.684 4.854 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.799 2.990 -4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.031 4.111 -4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.799 5.170 -2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.034 3.648 -1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.434 3.452 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.081 2.422 -2.653 1.00 0.00 H new ATOM 0 HE ARG A 66 9.743 4.957 -3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.250 2.421 -1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.882 2.873 -2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.760 5.561 -4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.172 4.660 -3.778 1.00 0.00 H new ATOM 1042 N GLY A 67 4.008 4.168 -3.402 1.00 0.00 N ATOM 1043 CA GLY A 67 3.054 3.842 -2.297 1.00 0.00 C ATOM 1044 C GLY A 67 1.916 2.936 -2.760 1.00 0.00 C ATOM 1045 O GLY A 67 2.060 2.177 -3.701 1.00 0.00 O ATOM 0 H GLY A 67 3.818 3.719 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.595 3.356 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.639 4.766 -1.895 1.00 0.00 H new ATOM 1049 N ASP A 68 0.812 3.056 -2.067 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.369 2.175 -2.334 1.00 0.00 C ATOM 1051 C ASP A 68 -1.408 3.013 -3.091 1.00 0.00 C ATOM 1052 O ASP A 68 -1.498 4.209 -2.895 1.00 0.00 O ATOM 1053 CB ASP A 68 -0.963 1.686 -0.994 1.00 0.00 C ATOM 1054 CG ASP A 68 0.069 0.953 -0.099 1.00 0.00 C ATOM 1055 OD1 ASP A 68 1.225 0.827 -0.477 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.382 0.542 0.956 1.00 0.00 O ATOM 0 H ASP A 68 0.676 3.735 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.079 1.304 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.365 2.540 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.798 1.016 -1.197 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.163 2.357 -3.934 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.205 3.060 -4.742 1.00 0.00 C ATOM 1063 C PHE A 69 -4.329 2.068 -5.104 1.00 0.00 C ATOM 1064 O PHE A 69 -4.037 0.928 -5.408 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.541 3.631 -6.015 1.00 0.00 C ATOM 1066 CG PHE A 69 -1.968 2.511 -6.902 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.820 1.823 -6.544 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.608 2.182 -8.080 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.325 0.821 -7.353 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.115 1.182 -8.887 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.972 0.498 -8.526 1.00 0.00 C ATOM 0 H PHE A 69 -2.101 1.352 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.643 3.879 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.273 4.207 -6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.743 4.318 -5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.309 2.073 -5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.502 2.713 -8.371 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.570 0.289 -7.067 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.624 0.932 -9.806 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.586 -0.287 -9.160 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.573 2.503 -5.064 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.725 1.613 -5.354 1.00 0.00 C ATOM 1083 C PRO A 70 -6.634 0.993 -6.763 1.00 0.00 C ATOM 1084 O PRO A 70 -5.924 1.486 -7.618 1.00 0.00 O ATOM 1085 CB PRO A 70 -7.979 2.483 -5.185 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.503 3.910 -4.796 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.965 3.899 -4.731 1.00 0.00 C ATOM 0 HA PRO A 70 -6.746 0.760 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.556 2.509 -6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.631 2.072 -4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.848 4.639 -5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.923 4.202 -3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.535 4.608 -5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.610 4.182 -3.740 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.367 -0.076 -6.946 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.351 -0.837 -8.236 1.00 0.00 C ATOM 1097 C GLY A 71 -8.540 -0.440 -9.131 1.00 0.00 C ATOM 1098 O GLY A 71 -9.077 -1.282 -9.827 1.00 0.00 O ATOM 0 H GLY A 71 -7.991 -0.463 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.416 -0.646 -8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.388 -1.907 -8.031 1.00 0.00 H new ATOM 1102 N THR A 72 -8.911 0.819 -9.085 1.00 0.00 N ATOM 1103 CA THR A 72 -10.061 1.334 -9.900 1.00 0.00 C ATOM 1104 C THR A 72 -9.735 2.604 -10.688 1.00 0.00 C ATOM 1105 O THR A 72 -10.286 2.828 -11.747 1.00 0.00 O ATOM 1106 CB THR A 72 -11.247 1.567 -8.926 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.202 2.411 -9.566 1.00 0.00 O ATOM 1108 CG2 THR A 72 -10.830 2.338 -7.650 1.00 0.00 C ATOM 0 H THR A 72 -8.457 1.525 -8.506 1.00 0.00 H new ATOM 0 HA THR A 72 -10.311 0.595 -10.661 1.00 0.00 H new ATOM 0 HB THR A 72 -11.629 0.581 -8.662 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.936 3.348 -9.456 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.699 2.472 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.066 1.772 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.431 3.313 -7.928 1.00 0.00 H new ATOM 1116 N TYR A 73 -8.854 3.393 -10.147 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.557 4.735 -10.753 1.00 0.00 C ATOM 1118 C TYR A 73 -7.422 4.633 -11.774 1.00 0.00 C ATOM 1119 O TYR A 73 -6.870 5.634 -12.190 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.171 5.717 -9.629 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.285 5.842 -8.570 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.621 5.596 -8.853 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -8.934 6.211 -7.290 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.577 5.718 -7.870 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -9.891 6.333 -6.308 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.218 6.088 -6.591 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.178 6.210 -5.607 1.00 0.00 O ATOM 0 H TYR A 73 -8.319 3.173 -9.307 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.445 5.096 -11.273 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.251 5.379 -9.151 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.966 6.698 -10.058 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.913 5.307 -9.852 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.898 6.406 -7.055 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.614 5.523 -8.102 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.600 6.623 -5.309 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.752 6.477 -4.766 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.124 3.414 -12.142 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.936 3.102 -12.985 1.00 0.00 C ATOM 1139 C VAL A 74 -6.387 2.156 -14.104 1.00 0.00 C ATOM 1140 O VAL A 74 -7.531 1.742 -14.142 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.850 2.438 -12.084 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.323 3.478 -11.048 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.420 1.177 -11.343 1.00 0.00 C ATOM 0 H VAL A 74 -7.676 2.596 -11.883 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.510 4.001 -13.431 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.028 2.109 -12.720 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.564 3.013 -10.419 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.887 4.327 -11.574 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.149 3.822 -10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.640 0.736 -10.723 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.259 1.473 -10.714 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.757 0.445 -12.077 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.473 1.844 -14.984 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.764 0.851 -16.059 1.00 0.00 C ATOM 1155 C GLU A 75 -4.492 0.056 -16.326 1.00 0.00 C ATOM 1156 O GLU A 75 -3.516 0.602 -16.803 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.204 1.602 -17.333 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.156 0.711 -18.158 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.233 1.252 -19.596 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -7.798 2.324 -19.743 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -6.722 0.565 -20.467 1.00 0.00 O ATOM 0 H GLU A 75 -4.532 2.237 -15.004 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.564 0.174 -15.758 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.703 2.533 -17.064 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.332 1.869 -17.929 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.798 -0.319 -18.162 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.148 0.702 -17.706 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.539 -1.214 -16.012 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.459 -2.148 -16.458 1.00 0.00 C ATOM 1170 C TYR A 76 -3.121 -1.901 -17.940 1.00 0.00 C ATOM 1171 O TYR A 76 -4.003 -1.680 -18.749 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.954 -3.603 -16.234 1.00 0.00 C ATOM 1173 CG TYR A 76 -3.123 -4.581 -17.079 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -3.526 -4.889 -18.364 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -1.971 -5.155 -16.578 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -2.791 -5.756 -19.138 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -1.237 -6.023 -17.354 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.643 -6.328 -18.636 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.913 -7.199 -19.415 1.00 0.00 O ATOM 0 H TYR A 76 -5.282 -1.647 -15.463 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.549 -1.980 -15.882 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.874 -3.864 -15.179 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.007 -3.682 -16.503 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.426 -4.445 -18.764 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.645 -4.922 -15.575 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.115 -5.989 -20.142 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.337 -6.468 -16.956 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.728 -8.016 -18.907 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.846 -1.948 -18.226 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.360 -1.761 -19.627 1.00 0.00 C ATOM 1191 C ILE A 77 -0.263 -2.791 -19.942 1.00 0.00 C ATOM 1192 O ILE A 77 -0.475 -3.655 -20.773 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.812 -0.295 -19.791 1.00 0.00 C ATOM 1194 CG1 ILE A 77 -0.125 0.235 -18.495 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.978 0.663 -20.144 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.809 1.418 -18.842 1.00 0.00 C ATOM 0 H ILE A 77 -1.110 -2.110 -17.539 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.181 -1.913 -20.327 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.069 -0.325 -20.588 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.880 0.555 -17.777 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.446 -0.564 -18.022 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.594 1.677 -20.257 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.441 0.344 -21.078 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.720 0.642 -19.346 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.286 1.784 -17.933 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.573 1.084 -19.544 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.227 2.221 -19.294 1.00 0.00 H new ATOM 1208 N GLY A 78 0.866 -2.689 -19.282 1.00 0.00 N ATOM 1209 CA GLY A 78 2.046 -3.517 -19.661 1.00 0.00 C ATOM 1210 C GLY A 78 2.076 -4.712 -18.718 1.00 0.00 C ATOM 1211 O GLY A 78 1.515 -4.668 -17.638 1.00 0.00 O ATOM 0 H GLY A 78 1.018 -2.062 -18.492 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.969 -3.846 -20.697 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.966 -2.938 -19.578 1.00 0.00 H new ATOM 1215 N ARG A 79 2.736 -5.743 -19.168 1.00 0.00 N ATOM 1216 CA ARG A 79 3.065 -6.891 -18.268 1.00 0.00 C ATOM 1217 C ARG A 79 4.571 -6.976 -17.994 1.00 0.00 C ATOM 1218 O ARG A 79 5.365 -6.298 -18.617 1.00 0.00 O ATOM 1219 CB ARG A 79 2.569 -8.219 -18.920 1.00 0.00 C ATOM 1220 CG ARG A 79 2.764 -8.258 -20.467 1.00 0.00 C ATOM 1221 CD ARG A 79 1.566 -7.640 -21.231 1.00 0.00 C ATOM 1222 NE ARG A 79 0.447 -8.633 -21.266 1.00 0.00 N ATOM 1223 CZ ARG A 79 -0.326 -8.761 -22.316 1.00 0.00 C ATOM 1224 NH1 ARG A 79 -0.605 -7.726 -23.062 1.00 0.00 N ATOM 1225 NH2 ARG A 79 -0.804 -9.943 -22.594 1.00 0.00 N ATOM 0 H ARG A 79 3.065 -5.843 -20.128 1.00 0.00 H new ATOM 0 HA ARG A 79 2.561 -6.734 -17.314 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.103 -9.057 -18.472 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.512 -8.356 -18.691 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.675 -7.720 -20.729 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.901 -9.291 -20.787 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.240 -6.722 -20.741 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.864 -7.372 -22.245 1.00 0.00 H new ATOM 0 HE ARG A 79 0.282 -9.225 -20.452 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.220 -6.811 -22.829 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.208 -7.833 -23.878 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.573 -10.739 -22.000 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.408 -10.071 -23.406 1.00 0.00 H new