USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 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= 0.263 K(o=1,f=-2.7!) USER MOD Set 1.2: A 63 THR OG1 : rot -81:sc= 0.767 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 8 TYR OH : rot -125:sc= 0.165 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -38:sc= 1.07 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= -0.0444 (180deg=-0.372) USER MOD Single : A 25 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-5.1!) USER MOD Single : A 31 THR OG1 : rot 134:sc= 0.0138 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.572 F(o=-5.1!,f=-0.57) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0.356 (180deg=0.356) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0339 F(o=-1.1,f=-0.034) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 150:sc= -0.326 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.652 -5.055 -14.149 1.00 0.00 N ATOM 82 CA TYR A 6 4.303 -4.711 -14.722 1.00 0.00 C ATOM 83 C TYR A 6 4.044 -3.209 -14.567 1.00 0.00 C ATOM 84 O TYR A 6 4.771 -2.532 -13.863 1.00 0.00 O ATOM 85 CB TYR A 6 3.173 -5.466 -13.985 1.00 0.00 C ATOM 86 CG TYR A 6 3.560 -6.893 -13.572 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.397 -7.090 -12.499 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.070 -7.994 -14.241 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.740 -8.353 -12.096 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.415 -9.264 -13.835 1.00 0.00 C ATOM 91 CZ TYR A 6 4.253 -9.455 -12.758 1.00 0.00 C ATOM 92 OH TYR A 6 4.598 -10.726 -12.348 1.00 0.00 O ATOM 0 HA TYR A 6 4.307 -5.000 -15.773 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.890 -4.903 -13.096 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.294 -5.508 -14.629 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.790 -6.236 -11.966 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.413 -7.860 -15.087 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.399 -8.485 -11.251 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.025 -10.119 -14.366 1.00 0.00 H new ATOM 0 HH TYR A 6 4.163 -11.386 -12.928 1.00 0.00 H new ATOM 102 N GLN A 7 3.011 -2.742 -15.227 1.00 0.00 N ATOM 103 CA GLN A 7 2.659 -1.294 -15.152 1.00 0.00 C ATOM 104 C GLN A 7 1.150 -1.046 -15.256 1.00 0.00 C ATOM 105 O GLN A 7 0.377 -1.900 -15.646 1.00 0.00 O ATOM 106 CB GLN A 7 3.372 -0.543 -16.292 1.00 0.00 C ATOM 107 CG GLN A 7 4.733 -0.010 -15.839 1.00 0.00 C ATOM 108 CD GLN A 7 5.447 0.616 -17.045 1.00 0.00 C ATOM 109 OE1 GLN A 7 6.560 0.259 -17.377 1.00 0.00 O ATOM 110 NE2 GLN A 7 4.847 1.555 -17.727 1.00 0.00 N ATOM 0 H GLN A 7 2.397 -3.305 -15.815 1.00 0.00 H new ATOM 0 HA GLN A 7 2.983 -0.929 -14.177 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.505 -1.211 -17.143 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.749 0.285 -16.631 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.604 0.731 -15.050 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.335 -0.818 -15.422 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.913 1.863 -17.458 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.313 1.980 -18.529 1.00 0.00 H new ATOM 119 N TYR A 8 0.817 0.164 -14.887 1.00 0.00 N ATOM 120 CA TYR A 8 -0.598 0.630 -14.780 1.00 0.00 C ATOM 121 C TYR A 8 -0.610 2.113 -15.173 1.00 0.00 C ATOM 122 O TYR A 8 0.354 2.820 -14.943 1.00 0.00 O ATOM 123 CB TYR A 8 -1.109 0.488 -13.331 1.00 0.00 C ATOM 124 CG TYR A 8 -1.224 -0.997 -12.969 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.099 -1.716 -12.626 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.449 -1.636 -12.989 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.194 -3.050 -12.311 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.541 -2.972 -12.671 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.414 -3.692 -12.329 1.00 0.00 C ATOM 130 OH TYR A 8 -1.510 -5.033 -12.012 1.00 0.00 O ATOM 0 H TYR A 8 1.502 0.880 -14.645 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.242 0.034 -15.427 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.427 0.988 -12.644 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.079 0.974 -13.228 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.864 -1.227 -12.605 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.339 -1.084 -13.255 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.696 -3.601 -12.047 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.504 -3.461 -12.689 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.958 -5.510 -12.741 1.00 0.00 H new ATOM 140 N ARG A 9 -1.705 2.534 -15.749 1.00 0.00 N ATOM 141 CA ARG A 9 -1.843 3.944 -16.216 1.00 0.00 C ATOM 142 C ARG A 9 -2.989 4.575 -15.425 1.00 0.00 C ATOM 143 O ARG A 9 -4.128 4.181 -15.574 1.00 0.00 O ATOM 144 CB ARG A 9 -2.156 3.935 -17.723 1.00 0.00 C ATOM 145 CG ARG A 9 -2.234 5.382 -18.258 1.00 0.00 C ATOM 146 CD ARG A 9 -2.110 5.368 -19.793 1.00 0.00 C ATOM 147 NE ARG A 9 -2.929 6.492 -20.344 1.00 0.00 N ATOM 148 CZ ARG A 9 -3.856 6.255 -21.234 1.00 0.00 C ATOM 149 NH1 ARG A 9 -4.869 5.496 -20.912 1.00 0.00 N ATOM 150 NH2 ARG A 9 -3.740 6.784 -22.420 1.00 0.00 N ATOM 0 H ARG A 9 -2.524 1.949 -15.918 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.929 4.516 -16.058 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.385 3.382 -18.259 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.100 3.421 -17.903 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.178 5.840 -17.963 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.437 5.985 -17.823 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.067 5.478 -20.090 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.457 4.415 -20.193 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.763 7.446 -20.024 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.929 5.096 -19.975 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.600 5.303 -21.597 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.936 7.371 -22.640 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.454 6.610 -23.128 1.00 0.00 H new ATOM 164 N ALA A 10 -2.640 5.538 -14.609 1.00 0.00 N ATOM 165 CA ALA A 10 -3.675 6.328 -13.870 1.00 0.00 C ATOM 166 C ALA A 10 -4.739 6.874 -14.840 1.00 0.00 C ATOM 167 O ALA A 10 -4.506 7.827 -15.561 1.00 0.00 O ATOM 168 CB ALA A 10 -2.998 7.498 -13.131 1.00 0.00 C ATOM 0 H ALA A 10 -1.676 5.813 -14.421 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.166 5.673 -13.151 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.751 8.073 -12.593 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.266 7.107 -12.424 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.496 8.143 -13.853 1.00 0.00 H new ATOM 174 N LEU A 11 -5.881 6.233 -14.818 1.00 0.00 N ATOM 175 CA LEU A 11 -7.037 6.668 -15.661 1.00 0.00 C ATOM 176 C LEU A 11 -7.607 8.001 -15.159 1.00 0.00 C ATOM 177 O LEU A 11 -8.109 8.786 -15.939 1.00 0.00 O ATOM 178 CB LEU A 11 -8.119 5.573 -15.609 1.00 0.00 C ATOM 179 CG LEU A 11 -9.055 5.676 -16.847 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.269 5.308 -18.147 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.261 4.712 -16.647 1.00 0.00 C ATOM 0 H LEU A 11 -6.064 5.412 -14.241 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.703 6.816 -16.688 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.649 4.590 -15.581 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.703 5.673 -14.694 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.421 6.698 -16.950 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.934 5.383 -19.008 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.432 5.995 -18.273 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.892 4.288 -18.068 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.925 4.776 -17.509 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.897 3.690 -16.544 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.807 4.995 -15.747 1.00 0.00 H new ATOM 193 N TYR A 12 -7.512 8.206 -13.869 1.00 0.00 N ATOM 194 CA TYR A 12 -8.043 9.459 -13.255 1.00 0.00 C ATOM 195 C TYR A 12 -7.070 9.969 -12.193 1.00 0.00 C ATOM 196 O TYR A 12 -6.479 9.196 -11.461 1.00 0.00 O ATOM 197 CB TYR A 12 -9.419 9.161 -12.619 1.00 0.00 C ATOM 198 CG TYR A 12 -10.482 10.093 -13.221 1.00 0.00 C ATOM 199 CD1 TYR A 12 -11.073 9.792 -14.432 1.00 0.00 C ATOM 200 CD2 TYR A 12 -10.860 11.244 -12.556 1.00 0.00 C ATOM 201 CE1 TYR A 12 -12.027 10.628 -14.970 1.00 0.00 C ATOM 202 CE2 TYR A 12 -11.814 12.079 -13.094 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.405 11.777 -14.305 1.00 0.00 C ATOM 204 OH TYR A 12 -13.361 12.616 -14.840 1.00 0.00 O ATOM 0 H TYR A 12 -7.086 7.553 -13.211 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.155 10.227 -14.020 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.693 8.121 -12.794 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.369 9.301 -11.539 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.786 8.895 -14.961 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.404 11.490 -11.608 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.482 10.383 -15.918 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.102 12.976 -12.565 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.504 13.375 -14.237 1.00 0.00 H new ATOM 214 N ASP A 13 -6.948 11.270 -12.154 1.00 0.00 N ATOM 215 CA ASP A 13 -6.126 11.944 -11.107 1.00 0.00 C ATOM 216 C ASP A 13 -6.797 11.761 -9.734 1.00 0.00 C ATOM 217 O ASP A 13 -7.868 12.295 -9.509 1.00 0.00 O ATOM 218 CB ASP A 13 -6.006 13.448 -11.502 1.00 0.00 C ATOM 219 CG ASP A 13 -5.812 14.342 -10.256 1.00 0.00 C ATOM 220 OD1 ASP A 13 -4.741 14.249 -9.680 1.00 0.00 O ATOM 221 OD2 ASP A 13 -6.749 15.061 -9.953 1.00 0.00 O ATOM 0 H ASP A 13 -7.392 11.905 -12.817 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.128 11.512 -11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.165 13.582 -12.183 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.903 13.758 -12.039 1.00 0.00 H new ATOM 226 N TYR A 14 -6.154 11.014 -8.869 1.00 0.00 N ATOM 227 CA TYR A 14 -6.686 10.820 -7.483 1.00 0.00 C ATOM 228 C TYR A 14 -5.724 11.483 -6.492 1.00 0.00 C ATOM 229 O TYR A 14 -4.526 11.304 -6.570 1.00 0.00 O ATOM 230 CB TYR A 14 -6.813 9.294 -7.241 1.00 0.00 C ATOM 231 CG TYR A 14 -6.835 8.928 -5.740 1.00 0.00 C ATOM 232 CD1 TYR A 14 -5.656 8.761 -5.040 1.00 0.00 C ATOM 233 CD2 TYR A 14 -8.033 8.755 -5.075 1.00 0.00 C ATOM 234 CE1 TYR A 14 -5.670 8.430 -3.702 1.00 0.00 C ATOM 235 CE2 TYR A 14 -8.048 8.425 -3.735 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.867 8.260 -3.038 1.00 0.00 C ATOM 237 OH TYR A 14 -6.889 7.932 -1.698 1.00 0.00 O ATOM 0 H TYR A 14 -5.279 10.528 -9.065 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.666 11.279 -7.350 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.726 8.930 -7.713 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.979 8.783 -7.723 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.712 8.891 -5.547 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.965 8.879 -5.607 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.738 8.303 -3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.992 8.295 -3.227 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.162 7.304 -1.503 1.00 0.00 H new ATOM 247 N LYS A 15 -6.297 12.233 -5.587 1.00 0.00 N ATOM 248 CA LYS A 15 -5.518 12.927 -4.532 1.00 0.00 C ATOM 249 C LYS A 15 -5.407 11.993 -3.322 1.00 0.00 C ATOM 250 O LYS A 15 -6.235 11.120 -3.150 1.00 0.00 O ATOM 251 CB LYS A 15 -6.275 14.194 -4.182 1.00 0.00 C ATOM 252 CG LYS A 15 -5.970 15.317 -5.194 1.00 0.00 C ATOM 253 CD LYS A 15 -4.822 16.202 -4.672 1.00 0.00 C ATOM 254 CE LYS A 15 -4.380 17.180 -5.785 1.00 0.00 C ATOM 255 NZ LYS A 15 -4.442 18.587 -5.296 1.00 0.00 N ATOM 0 H LYS A 15 -7.303 12.394 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.510 13.183 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.346 13.991 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.002 14.520 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.698 14.885 -6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.862 15.923 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.148 16.758 -3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.981 15.581 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.365 16.943 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.023 17.063 -6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.142 19.232 -6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.417 18.814 -5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.810 18.698 -4.478 1.00 0.00 H new ATOM 269 N LYS A 16 -4.401 12.207 -2.513 1.00 0.00 N ATOM 270 CA LYS A 16 -4.160 11.274 -1.370 1.00 0.00 C ATOM 271 C LYS A 16 -4.957 11.763 -0.151 1.00 0.00 C ATOM 272 O LYS A 16 -5.146 12.950 0.033 1.00 0.00 O ATOM 273 CB LYS A 16 -2.640 11.244 -1.049 1.00 0.00 C ATOM 274 CG LYS A 16 -2.220 12.495 -0.233 1.00 0.00 C ATOM 275 CD LYS A 16 -0.694 12.684 -0.275 1.00 0.00 C ATOM 276 CE LYS A 16 -0.222 13.389 1.013 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.332 12.465 2.179 1.00 0.00 N ATOM 0 H LYS A 16 -3.741 12.980 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.486 10.266 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.401 10.341 -0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.069 11.202 -1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.712 13.380 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.550 12.389 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.201 11.717 -0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.415 13.275 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.811 13.719 0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.824 14.281 1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.343 12.754 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.299 12.502 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.117 11.494 1.874 1.00 0.00 H new ATOM 291 N GLU A 17 -5.398 10.815 0.636 1.00 0.00 N ATOM 292 CA GLU A 17 -6.164 11.123 1.887 1.00 0.00 C ATOM 293 C GLU A 17 -5.460 10.508 3.109 1.00 0.00 C ATOM 294 O GLU A 17 -5.849 10.749 4.236 1.00 0.00 O ATOM 295 CB GLU A 17 -7.583 10.543 1.749 1.00 0.00 C ATOM 296 CG GLU A 17 -8.597 11.424 2.531 1.00 0.00 C ATOM 297 CD GLU A 17 -9.907 10.664 2.848 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.231 9.729 2.129 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.528 11.076 3.816 1.00 0.00 O ATOM 0 H GLU A 17 -5.258 9.820 0.462 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.215 12.202 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.865 10.497 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.606 9.522 2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.141 11.762 3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.828 12.315 1.947 1.00 0.00 H new ATOM 306 N ARG A 18 -4.442 9.732 2.833 1.00 0.00 N ATOM 307 CA ARG A 18 -3.701 9.013 3.909 1.00 0.00 C ATOM 308 C ARG A 18 -2.199 9.065 3.625 1.00 0.00 C ATOM 309 O ARG A 18 -1.774 9.280 2.504 1.00 0.00 O ATOM 310 CB ARG A 18 -4.195 7.556 3.950 1.00 0.00 C ATOM 311 CG ARG A 18 -3.984 6.951 5.352 1.00 0.00 C ATOM 312 CD ARG A 18 -4.964 7.574 6.371 1.00 0.00 C ATOM 313 NE ARG A 18 -4.192 8.481 7.278 1.00 0.00 N ATOM 314 CZ ARG A 18 -4.765 9.057 8.304 1.00 0.00 C ATOM 315 NH1 ARG A 18 -5.803 8.501 8.872 1.00 0.00 N ATOM 316 NH2 ARG A 18 -4.273 10.185 8.736 1.00 0.00 N ATOM 0 H ARG A 18 -4.089 9.565 1.891 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.881 9.485 4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.252 7.517 3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.660 6.964 3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.130 5.872 5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.958 7.122 5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.745 8.131 5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.458 6.792 6.948 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.204 8.653 7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.167 7.617 8.516 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.249 8.951 9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.461 10.597 8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.700 10.655 9.534 1.00 0.00 H new ATOM 330 N GLU A 19 -1.445 8.858 4.674 1.00 0.00 N ATOM 331 CA GLU A 19 0.046 8.889 4.582 1.00 0.00 C ATOM 332 C GLU A 19 0.602 7.746 3.721 1.00 0.00 C ATOM 333 O GLU A 19 1.709 7.822 3.222 1.00 0.00 O ATOM 334 CB GLU A 19 0.629 8.794 6.007 1.00 0.00 C ATOM 335 CG GLU A 19 1.856 9.710 6.115 1.00 0.00 C ATOM 336 CD GLU A 19 2.601 9.401 7.424 1.00 0.00 C ATOM 337 OE1 GLU A 19 2.080 9.799 8.453 1.00 0.00 O ATOM 338 OE2 GLU A 19 3.649 8.783 7.325 1.00 0.00 O ATOM 0 H GLU A 19 -1.807 8.665 5.608 1.00 0.00 H new ATOM 0 HA GLU A 19 0.337 9.823 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.123 9.086 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.909 7.764 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.516 9.556 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.548 10.755 6.096 1.00 0.00 H new ATOM 345 N GLU A 20 -0.199 6.725 3.578 1.00 0.00 N ATOM 346 CA GLU A 20 0.194 5.546 2.742 1.00 0.00 C ATOM 347 C GLU A 20 -0.091 5.808 1.258 1.00 0.00 C ATOM 348 O GLU A 20 0.516 5.200 0.395 1.00 0.00 O ATOM 349 CB GLU A 20 -0.594 4.307 3.211 1.00 0.00 C ATOM 350 CG GLU A 20 -2.104 4.617 3.291 1.00 0.00 C ATOM 351 CD GLU A 20 -2.903 3.302 3.254 1.00 0.00 C ATOM 352 OE1 GLU A 20 -2.844 2.611 4.259 1.00 0.00 O ATOM 353 OE2 GLU A 20 -3.526 3.066 2.229 1.00 0.00 O ATOM 0 H GLU A 20 -1.121 6.654 4.009 1.00 0.00 H new ATOM 0 HA GLU A 20 1.264 5.374 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.424 3.480 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.231 3.988 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.325 5.163 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.399 5.257 2.459 1.00 0.00 H new ATOM 360 N ASP A 21 -1.008 6.711 1.017 1.00 0.00 N ATOM 361 CA ASP A 21 -1.429 7.015 -0.384 1.00 0.00 C ATOM 362 C ASP A 21 -0.641 8.207 -0.918 1.00 0.00 C ATOM 363 O ASP A 21 -0.302 9.110 -0.179 1.00 0.00 O ATOM 364 CB ASP A 21 -2.940 7.321 -0.384 1.00 0.00 C ATOM 365 CG ASP A 21 -3.777 6.019 -0.413 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.284 4.984 0.017 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.896 6.141 -0.878 1.00 0.00 O ATOM 0 H ASP A 21 -1.486 7.254 1.736 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.229 6.161 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.196 7.901 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.189 7.935 -1.249 1.00 0.00 H new ATOM 372 N ILE A 22 -0.378 8.152 -2.198 1.00 0.00 N ATOM 373 CA ILE A 22 0.384 9.236 -2.890 1.00 0.00 C ATOM 374 C ILE A 22 -0.528 9.989 -3.862 1.00 0.00 C ATOM 375 O ILE A 22 -1.683 9.649 -4.041 1.00 0.00 O ATOM 376 CB ILE A 22 1.582 8.610 -3.665 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.134 7.293 -4.390 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.736 8.305 -2.680 1.00 0.00 C ATOM 379 CD1 ILE A 22 1.839 7.153 -5.752 1.00 0.00 C ATOM 0 H ILE A 22 -0.665 7.385 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 22 0.758 9.941 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 22 1.927 9.320 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.366 6.431 -3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.054 7.301 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.573 7.867 -3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.059 9.229 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.390 7.604 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.514 6.233 -6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.585 8.005 -6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.918 7.122 -5.602 1.00 0.00 H new ATOM 391 N ASP A 23 0.047 11.000 -4.459 1.00 0.00 N ATOM 392 CA ASP A 23 -0.709 11.880 -5.395 1.00 0.00 C ATOM 393 C ASP A 23 -0.671 11.257 -6.792 1.00 0.00 C ATOM 394 O ASP A 23 0.342 11.276 -7.465 1.00 0.00 O ATOM 395 CB ASP A 23 -0.053 13.260 -5.405 1.00 0.00 C ATOM 396 CG ASP A 23 0.014 13.776 -3.957 1.00 0.00 C ATOM 397 OD1 ASP A 23 -0.956 14.404 -3.560 1.00 0.00 O ATOM 398 OD2 ASP A 23 1.029 13.510 -3.332 1.00 0.00 O ATOM 0 H ASP A 23 1.026 11.256 -4.334 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.747 11.982 -5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.948 13.201 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.626 13.948 -6.027 1.00 0.00 H new ATOM 403 N LEU A 24 -1.790 10.711 -7.180 1.00 0.00 N ATOM 404 CA LEU A 24 -1.967 10.219 -8.576 1.00 0.00 C ATOM 405 C LEU A 24 -2.534 11.306 -9.483 1.00 0.00 C ATOM 406 O LEU A 24 -3.564 11.874 -9.188 1.00 0.00 O ATOM 407 CB LEU A 24 -2.900 8.991 -8.516 1.00 0.00 C ATOM 408 CG LEU A 24 -2.077 7.795 -7.952 1.00 0.00 C ATOM 409 CD1 LEU A 24 -2.394 7.544 -6.455 1.00 0.00 C ATOM 410 CD2 LEU A 24 -2.304 6.508 -8.787 1.00 0.00 C ATOM 0 H LEU A 24 -2.603 10.583 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.004 9.941 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.761 9.196 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.286 8.755 -9.508 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.023 8.063 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.802 6.703 -6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.149 8.435 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.454 7.318 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.715 5.693 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.361 6.241 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.996 6.684 -9.818 1.00 0.00 H new ATOM 422 N HIS A 25 -1.828 11.552 -10.558 1.00 0.00 N ATOM 423 CA HIS A 25 -2.279 12.555 -11.576 1.00 0.00 C ATOM 424 C HIS A 25 -2.705 11.822 -12.854 1.00 0.00 C ATOM 425 O HIS A 25 -2.764 10.609 -12.887 1.00 0.00 O ATOM 426 CB HIS A 25 -1.120 13.558 -11.909 1.00 0.00 C ATOM 427 CG HIS A 25 0.075 13.394 -10.976 1.00 0.00 C ATOM 428 ND1 HIS A 25 0.070 13.615 -9.699 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.370 12.994 -11.251 1.00 0.00 C ATOM 430 CE1 HIS A 25 1.247 13.378 -9.216 1.00 0.00 C ATOM 431 NE2 HIS A 25 2.088 12.988 -10.143 1.00 0.00 N ATOM 0 H HIS A 25 -0.944 11.094 -10.778 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.121 13.116 -11.171 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.797 13.407 -12.939 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.495 14.579 -11.839 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.737 13.927 -9.158 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.740 12.726 -12.229 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.506 13.488 -8.173 1.00 0.00 H new ATOM 439 N LEU A 26 -2.990 12.586 -13.877 1.00 0.00 N ATOM 440 CA LEU A 26 -3.305 11.997 -15.217 1.00 0.00 C ATOM 441 C LEU A 26 -2.028 11.471 -15.893 1.00 0.00 C ATOM 442 O LEU A 26 -0.963 12.034 -15.730 1.00 0.00 O ATOM 443 CB LEU A 26 -3.970 13.098 -16.078 1.00 0.00 C ATOM 444 CG LEU A 26 -5.498 13.151 -15.763 1.00 0.00 C ATOM 445 CD1 LEU A 26 -6.064 14.574 -16.064 1.00 0.00 C ATOM 446 CD2 LEU A 26 -6.242 12.071 -16.609 1.00 0.00 C ATOM 0 H LEU A 26 -3.019 13.605 -13.842 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.983 11.151 -15.105 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.511 14.064 -15.870 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.813 12.892 -17.137 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.656 12.941 -14.705 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.130 14.596 -15.840 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.548 15.309 -15.446 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.909 14.812 -17.116 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.309 12.108 -16.389 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.083 12.266 -17.669 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.854 11.083 -16.360 1.00 0.00 H new ATOM 458 N GLY A 27 -2.179 10.397 -16.631 1.00 0.00 N ATOM 459 CA GLY A 27 -1.025 9.773 -17.364 1.00 0.00 C ATOM 460 C GLY A 27 0.147 9.396 -16.441 1.00 0.00 C ATOM 461 O GLY A 27 1.222 9.069 -16.902 1.00 0.00 O ATOM 0 H GLY A 27 -3.069 9.916 -16.760 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.373 8.879 -17.882 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.670 10.466 -18.127 1.00 0.00 H new ATOM 465 N ASP A 28 -0.109 9.460 -15.160 1.00 0.00 N ATOM 466 CA ASP A 28 0.857 8.953 -14.137 1.00 0.00 C ATOM 467 C ASP A 28 1.021 7.424 -14.267 1.00 0.00 C ATOM 468 O ASP A 28 0.043 6.706 -14.262 1.00 0.00 O ATOM 469 CB ASP A 28 0.295 9.353 -12.756 1.00 0.00 C ATOM 470 CG ASP A 28 1.394 9.483 -11.686 1.00 0.00 C ATOM 471 OD1 ASP A 28 2.382 10.140 -11.971 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.176 8.913 -10.628 1.00 0.00 O ATOM 0 H ASP A 28 -0.967 9.851 -14.771 1.00 0.00 H new ATOM 0 HA ASP A 28 1.849 9.384 -14.276 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.235 10.301 -12.844 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.434 8.609 -12.435 1.00 0.00 H new ATOM 477 N ILE A 29 2.244 6.962 -14.380 1.00 0.00 N ATOM 478 CA ILE A 29 2.504 5.490 -14.543 1.00 0.00 C ATOM 479 C ILE A 29 3.023 4.916 -13.226 1.00 0.00 C ATOM 480 O ILE A 29 3.782 5.547 -12.518 1.00 0.00 O ATOM 481 CB ILE A 29 3.558 5.288 -15.704 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.798 4.834 -16.968 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.674 4.215 -15.403 1.00 0.00 C ATOM 484 CD1 ILE A 29 1.963 5.993 -17.552 1.00 0.00 C ATOM 0 H ILE A 29 3.082 7.544 -14.366 1.00 0.00 H new ATOM 0 HA ILE A 29 1.585 4.966 -14.804 1.00 0.00 H new ATOM 0 HB ILE A 29 4.068 6.244 -15.824 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.507 4.478 -17.716 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.145 3.996 -16.724 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.351 4.145 -16.255 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.235 4.512 -14.517 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.208 3.245 -15.229 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.436 5.649 -18.442 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.240 6.330 -16.810 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.623 6.819 -17.817 1.00 0.00 H new ATOM 496 N LEU A 30 2.594 3.711 -12.950 1.00 0.00 N ATOM 497 CA LEU A 30 3.037 2.993 -11.718 1.00 0.00 C ATOM 498 C LEU A 30 3.594 1.614 -12.086 1.00 0.00 C ATOM 499 O LEU A 30 3.167 1.031 -13.062 1.00 0.00 O ATOM 500 CB LEU A 30 1.832 2.833 -10.776 1.00 0.00 C ATOM 501 CG LEU A 30 1.430 4.194 -10.124 1.00 0.00 C ATOM 502 CD1 LEU A 30 0.740 5.132 -11.167 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.459 3.901 -8.955 1.00 0.00 C ATOM 0 H LEU A 30 1.945 3.186 -13.536 1.00 0.00 H new ATOM 0 HA LEU A 30 3.821 3.566 -11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.985 2.431 -11.332 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.073 2.111 -9.995 1.00 0.00 H new ATOM 0 HG LEU A 30 2.324 4.702 -9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.470 6.073 -10.688 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.427 5.328 -11.990 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.159 4.650 -11.551 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.164 4.838 -8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.426 3.392 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.955 3.266 -8.221 1.00 0.00 H new ATOM 515 N THR A 31 4.524 1.134 -11.294 1.00 0.00 N ATOM 516 CA THR A 31 5.222 -0.160 -11.602 1.00 0.00 C ATOM 517 C THR A 31 5.186 -1.098 -10.384 1.00 0.00 C ATOM 518 O THR A 31 5.172 -0.639 -9.258 1.00 0.00 O ATOM 519 CB THR A 31 6.685 0.167 -12.004 1.00 0.00 C ATOM 520 OG1 THR A 31 6.600 0.712 -13.315 1.00 0.00 O ATOM 521 CG2 THR A 31 7.553 -1.104 -12.170 1.00 0.00 C ATOM 0 H THR A 31 4.834 1.589 -10.435 1.00 0.00 H new ATOM 0 HA THR A 31 4.718 -0.673 -12.421 1.00 0.00 H new ATOM 0 HB THR A 31 7.123 0.810 -11.241 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.153 1.520 -13.370 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.567 -0.818 -12.451 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.579 -1.652 -11.228 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.126 -1.738 -12.947 1.00 0.00 H new ATOM 529 N VAL A 32 5.172 -2.389 -10.644 1.00 0.00 N ATOM 530 CA VAL A 32 5.156 -3.405 -9.529 1.00 0.00 C ATOM 531 C VAL A 32 6.398 -4.319 -9.638 1.00 0.00 C ATOM 532 O VAL A 32 7.397 -3.931 -10.214 1.00 0.00 O ATOM 533 CB VAL A 32 3.811 -4.272 -9.605 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.360 -4.671 -8.158 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.656 -3.462 -10.274 1.00 0.00 C ATOM 0 H VAL A 32 5.171 -2.786 -11.583 1.00 0.00 H new ATOM 0 HA VAL A 32 5.185 -2.891 -8.568 1.00 0.00 H new ATOM 0 HB VAL A 32 4.018 -5.160 -10.203 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.445 -5.261 -8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.144 -5.260 -7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.177 -3.770 -7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.756 -4.076 -10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.458 -2.562 -9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.947 -3.182 -11.286 1.00 0.00 H new ATOM 545 N ASN A 33 6.303 -5.505 -9.081 1.00 0.00 N ATOM 546 CA ASN A 33 7.345 -6.569 -9.273 1.00 0.00 C ATOM 547 C ASN A 33 7.464 -7.010 -10.745 1.00 0.00 C ATOM 548 O ASN A 33 7.105 -6.272 -11.640 1.00 0.00 O ATOM 549 CB ASN A 33 6.960 -7.764 -8.338 1.00 0.00 C ATOM 550 CG ASN A 33 5.631 -8.396 -8.771 1.00 0.00 C ATOM 551 OD1 ASN A 33 4.530 -7.705 -8.690 1.00 0.00 O flip ATOM 552 ND2 ASN A 33 5.577 -9.533 -9.189 1.00 0.00 N flip ATOM 0 H ASN A 33 5.525 -5.787 -8.485 1.00 0.00 H new ATOM 0 HA ASN A 33 8.329 -6.180 -9.011 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.749 -8.516 -8.360 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.882 -7.414 -7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.428 -10.091 -9.260 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.681 -9.931 -9.469 1.00 0.00 H new ATOM 737 N GLU A 47 -3.727 -10.197 -12.838 1.00 0.00 N ATOM 738 CA GLU A 47 -2.821 -9.019 -13.032 1.00 0.00 C ATOM 739 C GLU A 47 -3.366 -8.023 -14.070 1.00 0.00 C ATOM 740 O GLU A 47 -2.945 -6.885 -14.113 1.00 0.00 O ATOM 741 CB GLU A 47 -1.418 -9.502 -13.488 1.00 0.00 C ATOM 742 CG GLU A 47 -1.461 -10.810 -14.299 1.00 0.00 C ATOM 743 CD GLU A 47 -2.443 -10.681 -15.477 1.00 0.00 C ATOM 744 OE1 GLU A 47 -2.130 -9.922 -16.385 1.00 0.00 O ATOM 745 OE2 GLU A 47 -3.459 -11.354 -15.394 1.00 0.00 O ATOM 0 HA GLU A 47 -2.758 -8.505 -12.073 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.951 -8.723 -14.091 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.788 -9.647 -12.611 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.465 -11.046 -14.673 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.764 -11.635 -13.654 1.00 0.00 H new ATOM 752 N ALA A 48 -4.288 -8.503 -14.864 1.00 0.00 N ATOM 753 CA ALA A 48 -4.895 -7.682 -15.957 1.00 0.00 C ATOM 754 C ALA A 48 -6.298 -7.181 -15.584 1.00 0.00 C ATOM 755 O ALA A 48 -6.906 -6.455 -16.349 1.00 0.00 O ATOM 756 CB ALA A 48 -4.963 -8.539 -17.244 1.00 0.00 C ATOM 0 H ALA A 48 -4.655 -9.453 -14.799 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.271 -6.803 -16.118 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.404 -7.952 -18.049 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.957 -8.848 -17.529 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.576 -9.422 -17.061 1.00 0.00 H new ATOM 762 N LYS A 49 -6.766 -7.582 -14.427 1.00 0.00 N ATOM 763 CA LYS A 49 -8.125 -7.170 -13.948 1.00 0.00 C ATOM 764 C LYS A 49 -8.038 -6.391 -12.616 1.00 0.00 C ATOM 765 O LYS A 49 -8.291 -6.956 -11.570 1.00 0.00 O ATOM 766 CB LYS A 49 -8.966 -8.429 -13.770 1.00 0.00 C ATOM 767 CG LYS A 49 -9.264 -9.007 -15.159 1.00 0.00 C ATOM 768 CD LYS A 49 -9.714 -10.453 -14.998 1.00 0.00 C ATOM 769 CE LYS A 49 -11.238 -10.521 -14.733 1.00 0.00 C ATOM 770 NZ LYS A 49 -11.563 -11.700 -13.882 1.00 0.00 N ATOM 0 H LYS A 49 -6.256 -8.187 -13.783 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.583 -6.506 -14.681 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.433 -9.159 -13.161 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.894 -8.195 -13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.040 -8.422 -15.653 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.376 -8.955 -15.789 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.470 -11.018 -15.897 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.174 -10.918 -14.173 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.570 -9.607 -14.241 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.776 -10.587 -15.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.590 -11.743 -13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.248 -12.569 -14.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.077 -11.612 -12.967 1.00 0.00 H new ATOM 784 N PRO A 50 -7.692 -5.121 -12.668 1.00 0.00 N ATOM 785 CA PRO A 50 -7.691 -4.257 -11.453 1.00 0.00 C ATOM 786 C PRO A 50 -9.079 -4.156 -10.793 1.00 0.00 C ATOM 787 O PRO A 50 -9.194 -3.705 -9.670 1.00 0.00 O ATOM 788 CB PRO A 50 -7.176 -2.888 -11.912 1.00 0.00 C ATOM 789 CG PRO A 50 -6.876 -2.989 -13.437 1.00 0.00 C ATOM 790 CD PRO A 50 -7.269 -4.407 -13.902 1.00 0.00 C ATOM 0 HA PRO A 50 -7.053 -4.684 -10.680 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.918 -2.114 -11.718 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.277 -2.612 -11.362 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.440 -2.236 -13.988 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.820 -2.802 -13.632 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.077 -4.372 -14.633 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.429 -4.911 -14.380 1.00 0.00 H new ATOM 798 N GLU A 51 -10.082 -4.586 -11.518 1.00 0.00 N ATOM 799 CA GLU A 51 -11.494 -4.493 -11.033 1.00 0.00 C ATOM 800 C GLU A 51 -11.717 -5.355 -9.784 1.00 0.00 C ATOM 801 O GLU A 51 -12.429 -4.955 -8.881 1.00 0.00 O ATOM 802 CB GLU A 51 -12.442 -4.960 -12.149 1.00 0.00 C ATOM 803 CG GLU A 51 -12.397 -3.981 -13.339 1.00 0.00 C ATOM 804 CD GLU A 51 -13.309 -2.773 -13.050 1.00 0.00 C ATOM 805 OE1 GLU A 51 -12.796 -1.831 -12.467 1.00 0.00 O ATOM 806 OE2 GLU A 51 -14.466 -2.862 -13.428 1.00 0.00 O ATOM 0 H GLU A 51 -9.980 -5.005 -12.442 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.697 -3.455 -10.769 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.159 -5.959 -12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.460 -5.029 -11.765 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.374 -3.645 -13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.721 -4.485 -14.250 1.00 0.00 H new ATOM 813 N GLU A 52 -11.094 -6.506 -9.768 1.00 0.00 N ATOM 814 CA GLU A 52 -11.254 -7.442 -8.611 1.00 0.00 C ATOM 815 C GLU A 52 -10.193 -7.172 -7.538 1.00 0.00 C ATOM 816 O GLU A 52 -10.423 -7.423 -6.370 1.00 0.00 O ATOM 817 CB GLU A 52 -11.125 -8.898 -9.111 1.00 0.00 C ATOM 818 CG GLU A 52 -9.890 -9.061 -10.021 1.00 0.00 C ATOM 819 CD GLU A 52 -9.616 -10.552 -10.274 1.00 0.00 C ATOM 820 OE1 GLU A 52 -9.126 -11.179 -9.346 1.00 0.00 O ATOM 821 OE2 GLU A 52 -9.909 -10.982 -11.380 1.00 0.00 O ATOM 0 H GLU A 52 -10.478 -6.840 -10.509 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.238 -7.285 -8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.046 -9.573 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.025 -9.180 -9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.056 -8.548 -10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.021 -8.597 -9.555 1.00 0.00 H new ATOM 828 N ILE A 53 -9.064 -6.668 -7.967 1.00 0.00 N ATOM 829 CA ILE A 53 -7.965 -6.352 -7.005 1.00 0.00 C ATOM 830 C ILE A 53 -8.323 -5.090 -6.213 1.00 0.00 C ATOM 831 O ILE A 53 -8.882 -4.154 -6.757 1.00 0.00 O ATOM 832 CB ILE A 53 -6.639 -6.112 -7.772 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.443 -7.211 -8.857 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.455 -6.163 -6.759 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.160 -6.952 -9.670 1.00 0.00 C ATOM 0 H ILE A 53 -8.855 -6.461 -8.944 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.840 -7.193 -6.323 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.672 -5.138 -8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.387 -8.191 -8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.305 -7.228 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.517 -5.995 -7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.589 -5.389 -6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.430 -7.140 -6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.042 -7.732 -10.422 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.230 -5.981 -10.161 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.298 -6.959 -9.002 1.00 0.00 H new ATOM 847 N GLY A 54 -7.982 -5.111 -4.949 1.00 0.00 N ATOM 848 CA GLY A 54 -8.342 -3.981 -4.047 1.00 0.00 C ATOM 849 C GLY A 54 -7.237 -2.930 -4.067 1.00 0.00 C ATOM 850 O GLY A 54 -7.222 -2.043 -4.900 1.00 0.00 O ATOM 0 H GLY A 54 -7.466 -5.869 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.285 -3.536 -4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.489 -4.348 -3.031 1.00 0.00 H new ATOM 854 N TRP A 55 -6.347 -3.090 -3.127 1.00 0.00 N ATOM 855 CA TRP A 55 -5.194 -2.154 -2.973 1.00 0.00 C ATOM 856 C TRP A 55 -3.988 -2.694 -3.737 1.00 0.00 C ATOM 857 O TRP A 55 -3.514 -3.782 -3.472 1.00 0.00 O ATOM 858 CB TRP A 55 -4.886 -2.019 -1.475 1.00 0.00 C ATOM 859 CG TRP A 55 -5.894 -1.027 -0.893 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.002 -1.356 -0.174 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.833 0.319 -1.025 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.540 -0.177 0.082 1.00 0.00 N ATOM 863 CE2 TRP A 55 -6.911 0.887 -0.387 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.906 1.122 -1.663 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.071 2.256 -0.387 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.062 2.488 -1.660 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.144 3.052 -1.026 1.00 0.00 C ATOM 0 H TRP A 55 -6.370 -3.847 -2.443 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.434 -1.173 -3.382 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.966 -2.985 -0.977 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.866 -1.665 -1.322 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.353 -2.336 0.115 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.403 -0.091 0.618 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.059 0.676 -2.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.919 2.703 0.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.336 3.117 -2.155 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.268 4.125 -1.029 1.00 0.00 H new ATOM 878 N LEU A 56 -3.536 -1.901 -4.673 1.00 0.00 N ATOM 879 CA LEU A 56 -2.250 -2.187 -5.382 1.00 0.00 C ATOM 880 C LEU A 56 -1.152 -1.308 -4.776 1.00 0.00 C ATOM 881 O LEU A 56 -1.297 -0.104 -4.720 1.00 0.00 O ATOM 882 CB LEU A 56 -2.415 -1.861 -6.869 1.00 0.00 C ATOM 883 CG LEU A 56 -3.574 -2.689 -7.509 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.868 -1.832 -7.575 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.186 -3.166 -8.943 1.00 0.00 C ATOM 0 H LEU A 56 -4.011 -1.053 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.981 -3.238 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.617 -0.797 -6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.483 -2.070 -7.394 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.752 -3.565 -6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.670 -2.418 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.157 -1.531 -6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.686 -0.944 -8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.008 -3.741 -9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.984 -2.299 -9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.295 -3.791 -8.890 1.00 0.00 H new ATOM 897 N ASN A 57 -0.089 -1.932 -4.342 1.00 0.00 N ATOM 898 CA ASN A 57 1.124 -1.175 -3.916 1.00 0.00 C ATOM 899 C ASN A 57 2.128 -1.105 -5.080 1.00 0.00 C ATOM 900 O ASN A 57 2.604 -2.125 -5.542 1.00 0.00 O ATOM 901 CB ASN A 57 1.737 -1.896 -2.712 1.00 0.00 C ATOM 902 CG ASN A 57 2.789 -1.004 -2.041 1.00 0.00 C ATOM 903 OD1 ASN A 57 2.520 0.257 -1.843 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 3.865 -1.447 -1.691 1.00 0.00 N flip ATOM 0 H ASN A 57 -0.009 -2.946 -4.264 1.00 0.00 H new ATOM 0 HA ASN A 57 0.862 -0.155 -3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.956 -2.152 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.194 -2.832 -3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.085 -2.432 -1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.549 -0.834 -1.247 1.00 0.00 H new ATOM 911 N GLY A 58 2.413 0.097 -5.515 1.00 0.00 N ATOM 912 CA GLY A 58 3.355 0.306 -6.660 1.00 0.00 C ATOM 913 C GLY A 58 4.230 1.540 -6.430 1.00 0.00 C ATOM 914 O GLY A 58 4.118 2.204 -5.416 1.00 0.00 O ATOM 0 H GLY A 58 2.028 0.955 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.986 -0.574 -6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.790 0.424 -7.584 1.00 0.00 H new ATOM 918 N TYR A 59 5.076 1.802 -7.395 1.00 0.00 N ATOM 919 CA TYR A 59 6.049 2.934 -7.293 1.00 0.00 C ATOM 920 C TYR A 59 5.868 3.862 -8.507 1.00 0.00 C ATOM 921 O TYR A 59 5.934 3.428 -9.642 1.00 0.00 O ATOM 922 CB TYR A 59 7.478 2.332 -7.244 1.00 0.00 C ATOM 923 CG TYR A 59 8.570 3.363 -7.601 1.00 0.00 C ATOM 924 CD1 TYR A 59 8.524 4.660 -7.126 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.620 2.992 -8.417 1.00 0.00 C ATOM 926 CE1 TYR A 59 9.506 5.566 -7.461 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.603 3.898 -8.751 1.00 0.00 C ATOM 928 CZ TYR A 59 10.552 5.191 -8.276 1.00 0.00 C ATOM 929 OH TYR A 59 11.536 6.097 -8.615 1.00 0.00 O ATOM 0 H TYR A 59 5.134 1.270 -8.264 1.00 0.00 H new ATOM 0 HA TYR A 59 5.882 3.525 -6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.668 1.938 -6.246 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.538 1.491 -7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.710 4.966 -6.486 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.671 1.982 -8.797 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.456 6.576 -7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.419 3.593 -9.389 1.00 0.00 H new ATOM 0 HH TYR A 59 12.195 5.662 -9.195 1.00 0.00 H new ATOM 939 N ASN A 60 5.647 5.117 -8.204 1.00 0.00 N ATOM 940 CA ASN A 60 5.519 6.174 -9.254 1.00 0.00 C ATOM 941 C ASN A 60 6.853 6.915 -9.473 1.00 0.00 C ATOM 942 O ASN A 60 7.157 7.896 -8.817 1.00 0.00 O ATOM 943 CB ASN A 60 4.421 7.154 -8.810 1.00 0.00 C ATOM 944 CG ASN A 60 4.199 8.205 -9.902 1.00 0.00 C ATOM 945 OD1 ASN A 60 4.423 9.382 -9.708 1.00 0.00 O ATOM 946 ND2 ASN A 60 3.757 7.824 -11.066 1.00 0.00 N ATOM 0 H ASN A 60 5.548 5.461 -7.249 1.00 0.00 H new ATOM 0 HA ASN A 60 5.254 5.713 -10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.494 6.614 -8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.708 7.639 -7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.603 8.512 -11.803 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.565 6.838 -11.241 1.00 0.00 H new ATOM 953 N GLU A 61 7.598 6.396 -10.417 1.00 0.00 N ATOM 954 CA GLU A 61 8.874 7.036 -10.876 1.00 0.00 C ATOM 955 C GLU A 61 8.675 8.509 -11.254 1.00 0.00 C ATOM 956 O GLU A 61 9.549 9.329 -11.040 1.00 0.00 O ATOM 957 CB GLU A 61 9.408 6.275 -12.102 1.00 0.00 C ATOM 958 CG GLU A 61 9.546 4.774 -11.786 1.00 0.00 C ATOM 959 CD GLU A 61 9.583 3.953 -13.089 1.00 0.00 C ATOM 960 OE1 GLU A 61 10.648 3.924 -13.687 1.00 0.00 O ATOM 961 OE2 GLU A 61 8.545 3.397 -13.415 1.00 0.00 O ATOM 0 H GLU A 61 7.369 5.529 -10.904 1.00 0.00 H new ATOM 0 HA GLU A 61 9.584 6.992 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.733 6.414 -12.946 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.376 6.681 -12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.456 4.599 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.711 4.448 -11.167 1.00 0.00 H new ATOM 968 N THR A 62 7.519 8.783 -11.808 1.00 0.00 N ATOM 969 CA THR A 62 7.182 10.163 -12.292 1.00 0.00 C ATOM 970 C THR A 62 7.433 11.230 -11.216 1.00 0.00 C ATOM 971 O THR A 62 7.867 12.322 -11.527 1.00 0.00 O ATOM 972 CB THR A 62 5.696 10.205 -12.709 1.00 0.00 C ATOM 973 OG1 THR A 62 5.566 9.226 -13.733 1.00 0.00 O ATOM 974 CG2 THR A 62 5.332 11.553 -13.379 1.00 0.00 C ATOM 0 H THR A 62 6.779 8.096 -11.949 1.00 0.00 H new ATOM 0 HA THR A 62 7.829 10.386 -13.140 1.00 0.00 H new ATOM 0 HB THR A 62 5.065 10.051 -11.834 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.637 9.199 -14.044 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.279 11.547 -13.659 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.517 12.368 -12.680 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.944 11.693 -14.270 1.00 0.00 H new ATOM 982 N THR A 63 7.153 10.878 -9.988 1.00 0.00 N ATOM 983 CA THR A 63 7.358 11.828 -8.845 1.00 0.00 C ATOM 984 C THR A 63 8.433 11.285 -7.896 1.00 0.00 C ATOM 985 O THR A 63 8.717 11.882 -6.874 1.00 0.00 O ATOM 986 CB THR A 63 6.027 11.995 -8.096 1.00 0.00 C ATOM 987 OG1 THR A 63 5.653 10.681 -7.708 1.00 0.00 O ATOM 988 CG2 THR A 63 4.898 12.474 -9.039 1.00 0.00 C ATOM 0 H THR A 63 6.787 9.964 -9.722 1.00 0.00 H new ATOM 0 HA THR A 63 7.690 12.795 -9.224 1.00 0.00 H new ATOM 0 HB THR A 63 6.152 12.710 -7.283 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.235 10.222 -8.467 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.972 12.581 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.170 13.436 -9.474 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.755 11.744 -9.835 1.00 0.00 H new ATOM 996 N GLY A 64 8.994 10.162 -8.270 1.00 0.00 N ATOM 997 CA GLY A 64 9.960 9.458 -7.375 1.00 0.00 C ATOM 998 C GLY A 64 9.303 9.026 -6.057 1.00 0.00 C ATOM 999 O GLY A 64 9.988 8.754 -5.089 1.00 0.00 O ATOM 0 H GLY A 64 8.822 9.701 -9.163 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.358 8.582 -7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.804 10.114 -7.163 1.00 0.00 H new ATOM 1003 N GLU A 65 7.995 8.979 -6.069 1.00 0.00 N ATOM 1004 CA GLU A 65 7.209 8.668 -4.834 1.00 0.00 C ATOM 1005 C GLU A 65 6.575 7.286 -4.975 1.00 0.00 C ATOM 1006 O GLU A 65 6.325 6.832 -6.074 1.00 0.00 O ATOM 1007 CB GLU A 65 6.101 9.706 -4.648 1.00 0.00 C ATOM 1008 CG GLU A 65 6.710 11.082 -4.303 1.00 0.00 C ATOM 1009 CD GLU A 65 6.565 11.331 -2.791 1.00 0.00 C ATOM 1010 OE1 GLU A 65 5.457 11.665 -2.400 1.00 0.00 O ATOM 1011 OE2 GLU A 65 7.567 11.174 -2.111 1.00 0.00 O ATOM 0 H GLU A 65 7.427 9.146 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 65 7.875 8.688 -3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.507 9.781 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.426 9.389 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.761 11.111 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.205 11.868 -4.864 1.00 0.00 H new ATOM 1018 N ARG A 66 6.337 6.673 -3.846 1.00 0.00 N ATOM 1019 CA ARG A 66 5.806 5.277 -3.811 1.00 0.00 C ATOM 1020 C ARG A 66 4.723 5.170 -2.736 1.00 0.00 C ATOM 1021 O ARG A 66 4.788 5.832 -1.716 1.00 0.00 O ATOM 1022 CB ARG A 66 6.970 4.295 -3.506 1.00 0.00 C ATOM 1023 CG ARG A 66 7.483 4.413 -2.039 1.00 0.00 C ATOM 1024 CD ARG A 66 8.061 5.819 -1.768 1.00 0.00 C ATOM 1025 NE ARG A 66 9.158 5.716 -0.761 1.00 0.00 N ATOM 1026 CZ ARG A 66 10.188 6.517 -0.837 1.00 0.00 C ATOM 1027 NH1 ARG A 66 10.000 7.787 -1.081 1.00 0.00 N ATOM 1028 NH2 ARG A 66 11.378 6.016 -0.665 1.00 0.00 N ATOM 0 H ARG A 66 6.491 7.089 -2.928 1.00 0.00 H new ATOM 0 HA ARG A 66 5.369 5.021 -4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.637 3.274 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.794 4.490 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.666 4.212 -1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.249 3.659 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.441 6.253 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.277 6.483 -1.402 1.00 0.00 H new ATOM 0 HE ARG A 66 9.104 5.022 -0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.054 8.147 -1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.799 8.418 -1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.490 5.020 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.198 6.620 -0.719 1.00 0.00 H new ATOM 1042 N GLY A 67 3.755 4.336 -3.007 1.00 0.00 N ATOM 1043 CA GLY A 67 2.636 4.139 -2.042 1.00 0.00 C ATOM 1044 C GLY A 67 1.600 3.162 -2.591 1.00 0.00 C ATOM 1045 O GLY A 67 1.861 2.421 -3.522 1.00 0.00 O ATOM 0 H GLY A 67 3.692 3.780 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.029 3.764 -1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.161 5.097 -1.832 1.00 0.00 H new ATOM 1049 N ASP A 68 0.447 3.207 -1.977 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.681 2.311 -2.363 1.00 0.00 C ATOM 1051 C ASP A 68 -1.778 3.132 -3.046 1.00 0.00 C ATOM 1052 O ASP A 68 -1.944 4.306 -2.769 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.232 1.631 -1.091 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.919 0.129 -1.160 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.647 -0.545 -1.872 1.00 0.00 O ATOM 1056 OD2 ASP A 68 0.029 -0.259 -0.497 1.00 0.00 O ATOM 0 H ASP A 68 0.236 3.842 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.334 1.548 -3.060 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.780 2.071 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.308 1.790 -1.014 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.494 2.473 -3.920 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.605 3.130 -4.671 1.00 0.00 C ATOM 1063 C PHE A 69 -4.715 2.095 -4.952 1.00 0.00 C ATOM 1064 O PHE A 69 -4.404 0.944 -5.189 1.00 0.00 O ATOM 1065 CB PHE A 69 -3.048 3.701 -5.996 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.398 2.591 -6.855 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -1.135 2.114 -6.554 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -3.073 2.055 -7.937 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.560 1.119 -7.319 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.499 1.060 -8.703 1.00 0.00 C ATOM 1071 CZ PHE A 69 -1.239 0.589 -8.395 1.00 0.00 C ATOM 0 H PHE A 69 -2.353 1.489 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.028 3.944 -4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.853 4.174 -6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -2.312 4.475 -5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.594 2.523 -5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.059 2.419 -8.185 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.426 0.754 -7.073 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.037 0.650 -9.545 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.788 -0.189 -8.993 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.964 2.509 -4.922 1.00 0.00 N ATOM 1082 CA PRO A 70 -7.094 1.615 -5.292 1.00 0.00 C ATOM 1083 C PRO A 70 -7.006 1.182 -6.766 1.00 0.00 C ATOM 1084 O PRO A 70 -6.433 1.882 -7.581 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.376 2.404 -5.008 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.946 3.824 -4.539 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.405 3.875 -4.527 1.00 0.00 C ATOM 0 HA PRO A 70 -7.072 0.692 -4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.996 2.465 -5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.971 1.909 -4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.347 4.584 -5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.342 4.033 -3.545 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.031 4.626 -5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.028 4.140 -3.539 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.579 0.041 -7.054 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.573 -0.498 -8.448 1.00 0.00 C ATOM 1097 C GLY A 71 -8.843 -0.068 -9.186 1.00 0.00 C ATOM 1098 O GLY A 71 -9.548 -0.898 -9.729 1.00 0.00 O ATOM 0 H GLY A 71 -8.057 -0.548 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.694 -0.137 -8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.508 -1.586 -8.425 1.00 0.00 H new ATOM 1102 N THR A 72 -9.088 1.221 -9.178 1.00 0.00 N ATOM 1103 CA THR A 72 -10.271 1.784 -9.909 1.00 0.00 C ATOM 1104 C THR A 72 -9.925 3.035 -10.735 1.00 0.00 C ATOM 1105 O THR A 72 -10.617 3.356 -11.682 1.00 0.00 O ATOM 1106 CB THR A 72 -11.371 2.110 -8.861 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.524 2.466 -9.615 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.034 3.365 -8.015 1.00 0.00 C ATOM 0 H THR A 72 -8.516 1.913 -8.693 1.00 0.00 H new ATOM 0 HA THR A 72 -10.621 1.041 -10.626 1.00 0.00 H new ATOM 0 HB THR A 72 -11.487 1.253 -8.197 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.260 2.683 -9.005 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.836 3.547 -7.299 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.099 3.202 -7.479 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.930 4.229 -8.671 1.00 0.00 H new ATOM 1116 N TYR A 73 -8.867 3.693 -10.344 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.416 4.939 -11.049 1.00 0.00 C ATOM 1118 C TYR A 73 -7.178 4.655 -11.910 1.00 0.00 C ATOM 1119 O TYR A 73 -6.380 5.535 -12.171 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.094 6.016 -9.995 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.352 6.362 -9.181 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.499 6.819 -9.804 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -9.349 6.224 -7.806 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.620 7.132 -9.065 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -10.469 6.537 -7.067 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.612 6.994 -7.692 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.733 7.308 -6.952 1.00 0.00 O ATOM 0 H TYR A 73 -8.284 3.419 -9.553 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.211 5.290 -11.707 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.309 5.659 -9.329 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.713 6.912 -10.486 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.517 6.932 -10.878 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.461 5.868 -7.306 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.510 7.487 -9.564 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.453 6.424 -5.993 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.552 7.151 -6.002 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.072 3.420 -12.322 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.858 2.927 -13.045 1.00 0.00 C ATOM 1139 C VAL A 74 -6.301 1.926 -14.118 1.00 0.00 C ATOM 1140 O VAL A 74 -7.428 1.469 -14.120 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.881 2.221 -12.048 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -3.941 3.258 -11.370 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.667 1.397 -10.982 1.00 0.00 C ATOM 0 H VAL A 74 -7.794 2.713 -12.185 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.340 3.770 -13.502 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.263 1.526 -12.616 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.270 2.745 -10.681 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.355 3.771 -12.133 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.538 3.986 -10.821 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.963 0.917 -10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.321 2.062 -10.418 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.267 0.636 -11.480 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.383 1.619 -15.000 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.661 0.629 -16.080 1.00 0.00 C ATOM 1155 C GLU A 75 -4.389 -0.170 -16.366 1.00 0.00 C ATOM 1156 O GLU A 75 -3.386 0.390 -16.760 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.119 1.389 -17.338 1.00 0.00 C ATOM 1158 CG GLU A 75 -6.864 0.440 -18.295 1.00 0.00 C ATOM 1159 CD GLU A 75 -8.319 0.269 -17.820 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -8.534 -0.640 -17.035 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -9.135 1.058 -18.267 1.00 0.00 O ATOM 0 H GLU A 75 -4.444 2.017 -15.016 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.446 -0.063 -15.775 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.771 2.216 -17.055 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.256 1.822 -17.844 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.846 0.841 -19.309 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.364 -0.528 -18.326 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.475 -1.459 -16.159 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.351 -2.374 -16.533 1.00 0.00 C ATOM 1170 C TYR A 76 -2.876 -2.084 -17.966 1.00 0.00 C ATOM 1171 O TYR A 76 -3.683 -1.998 -18.872 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.844 -3.821 -16.435 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.672 -4.803 -16.595 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.668 -4.845 -15.652 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -2.612 -5.668 -17.672 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.625 -5.732 -15.773 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -1.567 -6.559 -17.796 1.00 0.00 C ATOM 1178 CZ TYR A 76 -0.568 -6.595 -16.845 1.00 0.00 C ATOM 1179 OH TYR A 76 0.473 -7.490 -16.960 1.00 0.00 O ATOM 0 H TYR A 76 -5.283 -1.922 -15.743 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.513 -2.215 -15.854 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.331 -3.981 -15.473 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.591 -4.009 -17.206 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.701 -4.173 -14.807 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.389 -5.646 -18.422 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.153 -5.752 -15.024 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.530 -7.231 -18.641 1.00 0.00 H new ATOM 0 HH TYR A 76 0.164 -8.293 -17.429 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.583 -1.936 -18.122 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.006 -1.641 -19.473 1.00 0.00 C ATOM 1191 C ILE A 77 0.241 -2.490 -19.747 1.00 0.00 C ATOM 1192 O ILE A 77 0.238 -3.284 -20.669 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.650 -0.113 -19.563 1.00 0.00 C ATOM 1194 CG1 ILE A 77 -0.072 0.457 -18.227 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.917 0.701 -19.928 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.943 1.580 -18.531 1.00 0.00 C ATOM 0 H ILE A 77 -0.899 -2.007 -17.369 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.750 -1.893 -20.229 1.00 0.00 H new ATOM 0 HB ILE A 77 0.117 -0.019 -20.332 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.880 0.844 -17.606 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.412 -0.339 -17.661 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.664 1.760 -19.989 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.301 0.364 -20.891 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.678 0.553 -19.162 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.342 1.973 -17.596 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.758 1.180 -19.134 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.446 2.381 -19.078 1.00 0.00 H new ATOM 1208 N GLY A 78 1.269 -2.315 -18.954 1.00 0.00 N ATOM 1209 CA GLY A 78 2.542 -3.044 -19.195 1.00 0.00 C ATOM 1210 C GLY A 78 2.513 -4.313 -18.353 1.00 0.00 C ATOM 1211 O GLY A 78 1.770 -4.409 -17.394 1.00 0.00 O ATOM 0 H GLY A 78 1.276 -1.693 -18.146 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.649 -3.288 -20.252 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.396 -2.424 -18.923 1.00 0.00 H new ATOM 1215 N ARG A 79 3.334 -5.243 -18.753 1.00 0.00 N ATOM 1216 CA ARG A 79 3.408 -6.563 -18.067 1.00 0.00 C ATOM 1217 C ARG A 79 4.844 -6.880 -17.676 1.00 0.00 C ATOM 1218 O ARG A 79 5.774 -6.312 -18.216 1.00 0.00 O ATOM 1219 CB ARG A 79 2.881 -7.645 -18.988 1.00 0.00 C ATOM 1220 CG ARG A 79 3.317 -7.443 -20.430 1.00 0.00 C ATOM 1221 CD ARG A 79 2.991 -8.757 -21.096 1.00 0.00 C ATOM 1222 NE ARG A 79 2.739 -8.532 -22.550 1.00 0.00 N ATOM 1223 CZ ARG A 79 1.516 -8.354 -22.979 1.00 0.00 C ATOM 1224 NH1 ARG A 79 0.633 -9.296 -22.787 1.00 0.00 N ATOM 1225 NH2 ARG A 79 1.215 -7.240 -23.589 1.00 0.00 N ATOM 0 H ARG A 79 3.970 -5.141 -19.544 1.00 0.00 H new ATOM 0 HA ARG A 79 2.800 -6.523 -17.163 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.230 -8.617 -18.639 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.792 -7.661 -18.940 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.783 -6.615 -20.897 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.381 -7.214 -20.497 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.815 -9.458 -20.964 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.114 -9.205 -20.629 1.00 0.00 H new ATOM 0 HE ARG A 79 3.519 -8.517 -23.208 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.901 -10.156 -22.308 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.325 -9.172 -23.116 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.929 -6.524 -23.725 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.266 -7.085 -23.930 1.00 0.00 H new