USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 689 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 50 TYR OH : rot 178:sc= 1.15 USER MOD Set 1.2: A 70 TYR OH : rot 44:sc= 1.36 USER MOD Set 2.1: A 32 TYR OH : rot -47:sc= 0.0612 USER MOD Set 2.2: A 40 CYS SG : rot 24:sc= -1.2 USER MOD Set 3.1: A 15 MET CE :methyl -159:sc= -0.0627 (180deg=-0.199) USER MOD Set 3.2: A 18 MET CE :methyl 162:sc= -0.0355 (180deg=-0.357) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 20 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.53) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.172 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -4.67 K(o=-4.7,f=-6.3!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0612 USER MOD Single : A 72 ASN : amide:sc= -1.27 K(o=-1.3,f=-2) USER MOD Single : A 78 SER OG : rot -77:sc= 0.234 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 85 SER OG : rot 180:sc= -0.939 USER MOD Single : A 89 SER OG : rot -47:sc= -0.0661 USER MOD Single : A 90 THR OG1 : rot 53:sc= 1.03 USER MOD Single : A 96 GLN : amide:sc= 0.562 K(o=0.56,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.122 -12.258 7.482 1.00 0.00 N ATOM 105 CA LEU A 11 -2.598 -11.010 6.894 1.00 0.00 C ATOM 106 C LEU A 11 -4.064 -11.124 6.487 1.00 0.00 C ATOM 107 O LEU A 11 -4.850 -10.202 6.700 1.00 0.00 O ATOM 108 CB LEU A 11 -1.746 -10.638 5.680 1.00 0.00 C ATOM 109 CG LEU A 11 -2.130 -9.343 4.963 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.737 -8.134 5.798 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.477 -9.280 3.590 1.00 0.00 C ATOM 0 HA LEU A 11 -2.509 -10.226 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.707 -10.558 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.796 -11.456 4.962 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.212 -9.331 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.018 -7.222 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.251 -8.172 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.660 -8.140 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.761 -8.352 3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.393 -9.315 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.808 -10.128 2.990 1.00 0.00 H new ATOM 123 N GLU A 12 -4.423 -12.263 5.902 1.00 0.00 N ATOM 124 CA GLU A 12 -5.795 -12.497 5.466 1.00 0.00 C ATOM 125 C GLU A 12 -6.769 -12.345 6.631 1.00 0.00 C ATOM 126 O GLU A 12 -7.857 -11.791 6.477 1.00 0.00 O ATOM 127 CB GLU A 12 -5.928 -13.893 4.854 1.00 0.00 C ATOM 128 CG GLU A 12 -5.674 -13.928 3.357 1.00 0.00 C ATOM 129 CD GLU A 12 -6.042 -15.260 2.733 1.00 0.00 C ATOM 130 OE1 GLU A 12 -7.153 -15.759 3.011 1.00 0.00 O ATOM 131 OE2 GLU A 12 -5.219 -15.804 1.967 1.00 0.00 O ATOM 0 H GLU A 12 -3.784 -13.037 5.719 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.041 -11.752 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.227 -14.566 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.930 -14.274 5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.247 -13.135 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.621 -13.720 3.166 1.00 0.00 H new ATOM 138 N LYS A 13 -6.370 -12.843 7.797 1.00 0.00 N ATOM 139 CA LYS A 13 -7.206 -12.764 8.989 1.00 0.00 C ATOM 140 C LYS A 13 -7.539 -11.314 9.325 1.00 0.00 C ATOM 141 O LYS A 13 -8.695 -10.897 9.243 1.00 0.00 O ATOM 142 CB LYS A 13 -6.500 -13.424 10.176 1.00 0.00 C ATOM 143 CG LYS A 13 -6.537 -14.942 10.138 1.00 0.00 C ATOM 144 CD LYS A 13 -5.366 -15.547 10.893 1.00 0.00 C ATOM 145 CE LYS A 13 -5.685 -15.719 12.371 1.00 0.00 C ATOM 146 NZ LYS A 13 -4.948 -16.867 12.967 1.00 0.00 N ATOM 0 H LYS A 13 -5.473 -13.306 7.942 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.136 -13.294 8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.461 -13.095 10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.964 -13.081 11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.472 -15.295 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.518 -15.282 9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.113 -16.514 10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.490 -14.908 10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.428 -14.805 12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.757 -15.871 12.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.192 -16.951 13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.212 -17.743 12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.924 -16.710 12.871 1.00 0.00 H new ATOM 160 N LEU A 14 -6.519 -10.549 9.700 1.00 0.00 N ATOM 161 CA LEU A 14 -6.704 -9.144 10.046 1.00 0.00 C ATOM 162 C LEU A 14 -7.526 -8.424 8.982 1.00 0.00 C ATOM 163 O LEU A 14 -8.529 -7.781 9.288 1.00 0.00 O ATOM 164 CB LEU A 14 -5.347 -8.457 10.210 1.00 0.00 C ATOM 165 CG LEU A 14 -5.386 -6.979 10.603 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.372 -6.829 12.116 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.217 -6.231 9.980 1.00 0.00 C ATOM 0 H LEU A 14 -5.556 -10.878 9.772 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.246 -9.096 10.990 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.777 -8.998 10.965 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.800 -8.549 9.272 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.312 -6.546 10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.400 -5.771 12.377 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.242 -7.331 12.539 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.464 -7.278 12.518 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.261 -5.181 10.270 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.280 -6.665 10.329 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.272 -6.310 8.894 1.00 0.00 H new ATOM 179 N MET A 15 -7.094 -8.539 7.730 1.00 0.00 N ATOM 180 CA MET A 15 -7.792 -7.901 6.620 1.00 0.00 C ATOM 181 C MET A 15 -9.249 -8.349 6.565 1.00 0.00 C ATOM 182 O MET A 15 -10.152 -7.532 6.390 1.00 0.00 O ATOM 183 CB MET A 15 -7.096 -8.228 5.297 1.00 0.00 C ATOM 184 CG MET A 15 -5.787 -7.481 5.099 1.00 0.00 C ATOM 185 SD MET A 15 -5.001 -7.031 6.658 1.00 0.00 S ATOM 186 CE MET A 15 -4.647 -5.299 6.370 1.00 0.00 C ATOM 0 H MET A 15 -6.265 -9.068 7.459 1.00 0.00 H new ATOM 0 HA MET A 15 -7.767 -6.823 6.779 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.904 -9.300 5.252 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.769 -7.990 4.473 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.104 -8.101 4.518 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.973 -6.579 4.517 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.857 -4.972 7.046 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.322 -5.161 5.339 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.546 -4.709 6.550 1.00 0.00 H new ATOM 196 N GLU A 16 -9.470 -9.651 6.717 1.00 0.00 N ATOM 197 CA GLU A 16 -10.818 -10.206 6.683 1.00 0.00 C ATOM 198 C GLU A 16 -11.722 -9.500 7.689 1.00 0.00 C ATOM 199 O GLU A 16 -12.921 -9.345 7.460 1.00 0.00 O ATOM 200 CB GLU A 16 -10.783 -11.707 6.978 1.00 0.00 C ATOM 201 CG GLU A 16 -12.058 -12.231 7.618 1.00 0.00 C ATOM 202 CD GLU A 16 -11.938 -13.677 8.059 1.00 0.00 C ATOM 203 OE1 GLU A 16 -11.344 -14.479 7.308 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.438 -14.006 9.155 1.00 0.00 O ATOM 0 H GLU A 16 -8.733 -10.341 6.865 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.223 -10.049 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.604 -12.247 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.941 -11.920 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.309 -11.612 8.479 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.881 -12.138 6.909 1.00 0.00 H new ATOM 211 N ASN A 17 -11.138 -9.073 8.804 1.00 0.00 N ATOM 212 CA ASN A 17 -11.890 -8.384 9.846 1.00 0.00 C ATOM 213 C ASN A 17 -12.158 -6.934 9.455 1.00 0.00 C ATOM 214 O ASN A 17 -13.271 -6.434 9.612 1.00 0.00 O ATOM 215 CB ASN A 17 -11.128 -8.434 11.172 1.00 0.00 C ATOM 216 CG ASN A 17 -11.148 -9.815 11.799 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.192 -10.465 11.863 1.00 0.00 O ATOM 218 ND2 ASN A 17 -9.991 -10.270 12.265 1.00 0.00 N ATOM 0 H ASN A 17 -10.146 -9.192 9.009 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.847 -8.892 9.965 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.095 -8.128 11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.565 -7.716 11.866 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.943 -11.193 12.697 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.150 -9.697 12.191 1.00 0.00 H new ATOM 225 N MET A 18 -11.129 -6.265 8.945 1.00 0.00 N ATOM 226 CA MET A 18 -11.254 -4.873 8.529 1.00 0.00 C ATOM 227 C MET A 18 -12.248 -4.735 7.381 1.00 0.00 C ATOM 228 O MET A 18 -13.154 -3.903 7.428 1.00 0.00 O ATOM 229 CB MET A 18 -9.891 -4.320 8.108 1.00 0.00 C ATOM 230 CG MET A 18 -9.956 -2.912 7.539 1.00 0.00 C ATOM 231 SD MET A 18 -8.372 -2.353 6.884 1.00 0.00 S ATOM 232 CE MET A 18 -8.233 -3.373 5.417 1.00 0.00 C ATOM 0 H MET A 18 -10.200 -6.664 8.810 1.00 0.00 H new ATOM 0 HA MET A 18 -11.625 -4.299 9.378 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.224 -4.324 8.970 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.453 -4.984 7.363 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.704 -2.879 6.747 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.286 -2.224 8.318 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.494 -2.941 4.742 1.00 0.00 H new ATOM 0 HE2 MET A 18 -7.921 -4.378 5.701 1.00 0.00 H new ATOM 0 HE3 MET A 18 -9.199 -3.421 4.914 1.00 0.00 H new ATOM 242 N ARG A 19 -12.073 -5.556 6.350 1.00 0.00 N ATOM 243 CA ARG A 19 -12.954 -5.524 5.189 1.00 0.00 C ATOM 244 C ARG A 19 -14.416 -5.441 5.619 1.00 0.00 C ATOM 245 O ARG A 19 -15.250 -4.878 4.911 1.00 0.00 O ATOM 246 CB ARG A 19 -12.735 -6.765 4.322 1.00 0.00 C ATOM 247 CG ARG A 19 -11.448 -6.725 3.515 1.00 0.00 C ATOM 248 CD ARG A 19 -11.234 -8.018 2.744 1.00 0.00 C ATOM 249 NE ARG A 19 -9.877 -8.120 2.213 1.00 0.00 N ATOM 250 CZ ARG A 19 -9.335 -9.258 1.794 1.00 0.00 C ATOM 251 NH1 ARG A 19 -10.032 -10.385 1.843 1.00 0.00 N ATOM 252 NH2 ARG A 19 -8.095 -9.271 1.324 1.00 0.00 N ATOM 0 H ARG A 19 -11.329 -6.251 6.295 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.714 -4.635 4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.725 -7.648 4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.578 -6.875 3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.479 -5.886 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.604 -6.554 4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.432 -8.867 3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.950 -8.074 1.924 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.315 -7.271 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.986 -10.379 2.203 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.614 -11.258 1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.556 -8.406 1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.681 -10.146 1.003 1.00 0.00 H new ATOM 266 N ASN A 20 -14.718 -6.007 6.783 1.00 0.00 N ATOM 267 CA ASN A 20 -16.079 -5.998 7.306 1.00 0.00 C ATOM 268 C ASN A 20 -16.516 -4.581 7.664 1.00 0.00 C ATOM 269 O ASN A 20 -17.352 -3.987 6.983 1.00 0.00 O ATOM 270 CB ASN A 20 -16.181 -6.901 8.537 1.00 0.00 C ATOM 271 CG ASN A 20 -15.971 -8.364 8.200 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.446 -8.851 7.173 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.256 -9.074 9.065 1.00 0.00 N ATOM 0 H ASN A 20 -14.039 -6.477 7.381 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.742 -6.378 6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.440 -6.591 9.274 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.161 -6.774 8.997 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.081 -10.064 8.891 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.881 -8.630 9.903 1.00 0.00 H new ATOM 280 N ASP A 21 -15.943 -4.044 8.735 1.00 0.00 N ATOM 281 CA ASP A 21 -16.271 -2.696 9.183 1.00 0.00 C ATOM 282 C ASP A 21 -15.946 -1.670 8.102 1.00 0.00 C ATOM 283 O ASP A 21 -16.493 -0.567 8.095 1.00 0.00 O ATOM 284 CB ASP A 21 -15.508 -2.362 10.466 1.00 0.00 C ATOM 285 CG ASP A 21 -16.272 -1.405 11.361 1.00 0.00 C ATOM 286 OD1 ASP A 21 -16.900 -0.467 10.827 1.00 0.00 O ATOM 287 OD2 ASP A 21 -16.240 -1.594 12.596 1.00 0.00 O ATOM 0 H ASP A 21 -15.249 -4.522 9.309 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.341 -2.658 9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.303 -3.282 11.014 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.544 -1.923 10.208 1.00 0.00 H new ATOM 292 N ILE A 22 -15.052 -2.041 7.192 1.00 0.00 N ATOM 293 CA ILE A 22 -14.654 -1.153 6.106 1.00 0.00 C ATOM 294 C ILE A 22 -15.657 -1.203 4.959 1.00 0.00 C ATOM 295 O ILE A 22 -15.907 -0.198 4.295 1.00 0.00 O ATOM 296 CB ILE A 22 -13.257 -1.513 5.568 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.175 -0.778 6.362 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.156 -1.174 4.088 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.231 0.726 6.212 1.00 0.00 C ATOM 0 H ILE A 22 -14.589 -2.950 7.185 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.627 -0.144 6.517 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.104 -2.586 5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.273 -1.034 7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.196 -1.131 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.163 -1.434 3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.906 -1.738 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.327 -0.107 3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.435 1.180 6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.102 0.992 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.196 1.091 6.563 1.00 0.00 H new ATOM 311 N ALA A 23 -16.231 -2.380 4.734 1.00 0.00 N ATOM 312 CA ALA A 23 -17.211 -2.561 3.669 1.00 0.00 C ATOM 313 C ALA A 23 -18.608 -2.170 4.137 1.00 0.00 C ATOM 314 O ALA A 23 -19.495 -1.910 3.324 1.00 0.00 O ATOM 315 CB ALA A 23 -17.200 -4.002 3.182 1.00 0.00 C ATOM 0 H ALA A 23 -16.035 -3.222 5.274 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.937 -1.907 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.936 -4.123 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -16.210 -4.249 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.446 -4.668 4.009 1.00 0.00 H new ATOM 321 N SER A 24 -18.798 -2.130 5.452 1.00 0.00 N ATOM 322 CA SER A 24 -20.089 -1.775 6.028 1.00 0.00 C ATOM 323 C SER A 24 -20.122 -0.301 6.421 1.00 0.00 C ATOM 324 O SER A 24 -21.163 0.352 6.342 1.00 0.00 O ATOM 325 CB SER A 24 -20.384 -2.647 7.251 1.00 0.00 C ATOM 326 OG SER A 24 -21.779 -2.762 7.470 1.00 0.00 O ATOM 0 H SER A 24 -18.073 -2.339 6.139 1.00 0.00 H new ATOM 0 HA SER A 24 -20.856 -1.949 5.273 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.952 -3.638 7.108 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.909 -2.216 8.132 1.00 0.00 H new ATOM 0 HG SER A 24 -21.941 -3.325 8.256 1.00 0.00 H new ATOM 332 N HIS A 25 -18.974 0.217 6.846 1.00 0.00 N ATOM 333 CA HIS A 25 -18.869 1.614 7.251 1.00 0.00 C ATOM 334 C HIS A 25 -17.663 2.281 6.597 1.00 0.00 C ATOM 335 O HIS A 25 -16.811 2.869 7.263 1.00 0.00 O ATOM 336 CB HIS A 25 -18.762 1.719 8.773 1.00 0.00 C ATOM 337 CG HIS A 25 -20.081 1.622 9.475 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.711 2.707 10.047 1.00 0.00 N ATOM 339 CD2 HIS A 25 -20.891 0.561 9.693 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.850 2.317 10.589 1.00 0.00 C ATOM 341 NE2 HIS A 25 -21.984 1.018 10.388 1.00 0.00 N ATOM 0 H HIS A 25 -18.104 -0.310 6.919 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.770 2.131 6.921 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.107 0.928 9.138 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.291 2.668 9.031 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -20.712 -0.457 9.379 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.553 2.952 11.108 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -22.771 0.448 10.698 1.00 0.00 H new ATOM 349 N PRO A 26 -17.587 2.188 5.261 1.00 0.00 N ATOM 350 CA PRO A 26 -16.490 2.776 4.487 1.00 0.00 C ATOM 351 C PRO A 26 -16.208 4.221 4.886 1.00 0.00 C ATOM 352 O PRO A 26 -17.102 4.965 5.288 1.00 0.00 O ATOM 353 CB PRO A 26 -16.996 2.709 3.044 1.00 0.00 C ATOM 354 CG PRO A 26 -17.962 1.575 3.034 1.00 0.00 C ATOM 355 CD PRO A 26 -18.568 1.503 4.402 1.00 0.00 C ATOM 0 HA PRO A 26 -15.550 2.248 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.477 3.642 2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.177 2.538 2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.732 1.731 2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.458 0.641 2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.540 1.995 4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.723 0.471 4.717 1.00 0.00 H new ATOM 363 N PRO A 27 -14.935 4.629 4.774 1.00 0.00 N ATOM 364 CA PRO A 27 -14.506 5.988 5.117 1.00 0.00 C ATOM 365 C PRO A 27 -15.030 7.028 4.132 1.00 0.00 C ATOM 366 O PRO A 27 -15.446 6.692 3.023 1.00 0.00 O ATOM 367 CB PRO A 27 -12.979 5.907 5.048 1.00 0.00 C ATOM 368 CG PRO A 27 -12.702 4.786 4.106 1.00 0.00 C ATOM 369 CD PRO A 27 -13.817 3.796 4.302 1.00 0.00 C ATOM 0 HA PRO A 27 -14.886 6.302 6.089 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.549 6.842 4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.548 5.714 6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.671 5.140 3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.734 4.330 4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.064 3.280 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.551 3.030 5.031 1.00 0.00 H new ATOM 377 N VAL A 28 -15.007 8.291 4.544 1.00 0.00 N ATOM 378 CA VAL A 28 -15.478 9.380 3.697 1.00 0.00 C ATOM 379 C VAL A 28 -14.389 9.837 2.733 1.00 0.00 C ATOM 380 O VAL A 28 -13.341 10.327 3.152 1.00 0.00 O ATOM 381 CB VAL A 28 -15.942 10.585 4.537 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.215 11.786 3.644 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.176 10.223 5.350 1.00 0.00 C ATOM 0 H VAL A 28 -14.667 8.586 5.459 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.325 8.995 3.129 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.144 10.852 5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.542 12.627 4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.304 12.057 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.995 11.535 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.490 11.086 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.982 9.929 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.941 9.395 6.018 1.00 0.00 H new ATOM 393 N GLU A 29 -14.645 9.673 1.439 1.00 0.00 N ATOM 394 CA GLU A 29 -13.685 10.068 0.415 1.00 0.00 C ATOM 395 C GLU A 29 -13.352 11.553 0.526 1.00 0.00 C ATOM 396 O GLU A 29 -14.222 12.409 0.374 1.00 0.00 O ATOM 397 CB GLU A 29 -14.237 9.761 -0.979 1.00 0.00 C ATOM 398 CG GLU A 29 -15.266 10.769 -1.462 1.00 0.00 C ATOM 399 CD GLU A 29 -16.176 10.205 -2.536 1.00 0.00 C ATOM 400 OE1 GLU A 29 -15.796 10.260 -3.724 1.00 0.00 O ATOM 401 OE2 GLU A 29 -17.267 9.708 -2.188 1.00 0.00 O ATOM 0 H GLU A 29 -15.508 9.270 1.075 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.771 9.495 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.411 9.730 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.688 8.769 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.869 11.100 -0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.753 11.648 -1.851 1.00 0.00 H new ATOM 408 N GLY A 30 -12.083 11.851 0.793 1.00 0.00 N ATOM 409 CA GLY A 30 -11.657 13.232 0.921 1.00 0.00 C ATOM 410 C GLY A 30 -11.772 13.745 2.342 1.00 0.00 C ATOM 411 O GLY A 30 -11.873 14.951 2.568 1.00 0.00 O ATOM 0 H GLY A 30 -11.344 11.161 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.623 13.322 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.260 13.857 0.262 1.00 0.00 H new ATOM 415 N SER A 31 -11.759 12.828 3.304 1.00 0.00 N ATOM 416 CA SER A 31 -11.868 13.193 4.711 1.00 0.00 C ATOM 417 C SER A 31 -10.512 13.103 5.404 1.00 0.00 C ATOM 418 O SER A 31 -10.045 14.068 6.009 1.00 0.00 O ATOM 419 CB SER A 31 -12.877 12.286 5.419 1.00 0.00 C ATOM 420 OG SER A 31 -13.129 12.736 6.739 1.00 0.00 O ATOM 0 H SER A 31 -11.674 11.826 3.134 1.00 0.00 H new ATOM 0 HA SER A 31 -12.216 14.224 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.809 12.264 4.855 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.497 11.265 5.446 1.00 0.00 H new ATOM 0 HG SER A 31 -13.778 12.141 7.169 1.00 0.00 H new ATOM 426 N TYR A 32 -9.884 11.936 5.310 1.00 0.00 N ATOM 427 CA TYR A 32 -8.582 11.716 5.928 1.00 0.00 C ATOM 428 C TYR A 32 -7.480 12.417 5.140 1.00 0.00 C ATOM 429 O TYR A 32 -7.380 12.266 3.923 1.00 0.00 O ATOM 430 CB TYR A 32 -8.285 10.219 6.023 1.00 0.00 C ATOM 431 CG TYR A 32 -6.818 9.903 6.211 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.943 9.901 5.132 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.307 9.609 7.469 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.603 9.613 5.300 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.968 9.321 7.647 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.120 9.323 6.559 1.00 0.00 C ATOM 437 OH TYR A 32 -2.785 9.037 6.730 1.00 0.00 O ATOM 0 H TYR A 32 -10.256 11.128 4.811 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.609 12.138 6.933 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.848 9.798 6.856 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.640 9.728 5.117 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.317 10.129 4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.968 9.606 8.323 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.937 9.615 4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.587 9.096 8.632 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.501 8.387 6.054 1.00 0.00 H new ATOM 447 N ALA A 33 -6.653 13.183 5.844 1.00 0.00 N ATOM 448 CA ALA A 33 -5.555 13.904 5.213 1.00 0.00 C ATOM 449 C ALA A 33 -4.249 13.127 5.328 1.00 0.00 C ATOM 450 O ALA A 33 -3.687 12.968 6.412 1.00 0.00 O ATOM 451 CB ALA A 33 -5.406 15.286 5.832 1.00 0.00 C ATOM 0 H ALA A 33 -6.723 13.320 6.852 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.788 14.015 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.582 15.813 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.329 15.849 5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.200 15.187 6.898 1.00 0.00 H new ATOM 457 N PRO A 34 -3.752 12.630 4.185 1.00 0.00 N ATOM 458 CA PRO A 34 -2.505 11.861 4.132 1.00 0.00 C ATOM 459 C PRO A 34 -1.279 12.725 4.404 1.00 0.00 C ATOM 460 O PRO A 34 -1.065 13.741 3.743 1.00 0.00 O ATOM 461 CB PRO A 34 -2.477 11.329 2.697 1.00 0.00 C ATOM 462 CG PRO A 34 -3.299 12.297 1.918 1.00 0.00 C ATOM 463 CD PRO A 34 -4.369 12.782 2.857 1.00 0.00 C ATOM 0 HA PRO A 34 -2.476 11.080 4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.458 11.277 2.314 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.891 10.322 2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.689 13.126 1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.736 11.820 1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.640 13.818 2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.280 12.191 2.767 1.00 0.00 H new ATOM 471 N ARG A 35 -0.476 12.315 5.381 1.00 0.00 N ATOM 472 CA ARG A 35 0.729 13.052 5.740 1.00 0.00 C ATOM 473 C ARG A 35 1.975 12.203 5.508 1.00 0.00 C ATOM 474 O ARG A 35 2.006 11.022 5.852 1.00 0.00 O ATOM 475 CB ARG A 35 0.665 13.494 7.203 1.00 0.00 C ATOM 476 CG ARG A 35 -0.489 14.436 7.505 1.00 0.00 C ATOM 477 CD ARG A 35 -0.136 15.876 7.166 1.00 0.00 C ATOM 478 NE ARG A 35 -1.324 16.682 6.898 1.00 0.00 N ATOM 479 CZ ARG A 35 -1.926 16.733 5.715 1.00 0.00 C ATOM 480 NH1 ARG A 35 -1.454 16.027 4.696 1.00 0.00 N ATOM 481 NH2 ARG A 35 -3.003 17.490 5.549 1.00 0.00 N ATOM 0 H ARG A 35 -0.639 11.476 5.938 1.00 0.00 H new ATOM 0 HA ARG A 35 0.788 13.935 5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.578 12.612 7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.602 13.985 7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.367 14.132 6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.753 14.364 8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.422 16.317 7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.518 15.893 6.294 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.713 17.236 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.627 15.443 4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.918 16.068 3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.370 18.034 6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.464 17.528 4.640 1.00 0.00 H new ATOM 495 N ARG A 36 3.001 12.814 4.923 1.00 0.00 N ATOM 496 CA ARG A 36 4.249 12.114 4.644 1.00 0.00 C ATOM 497 C ARG A 36 4.796 11.455 5.906 1.00 0.00 C ATOM 498 O ARG A 36 5.364 12.121 6.771 1.00 0.00 O ATOM 499 CB ARG A 36 5.285 13.084 4.072 1.00 0.00 C ATOM 500 CG ARG A 36 6.672 12.480 3.933 1.00 0.00 C ATOM 501 CD ARG A 36 7.467 13.158 2.828 1.00 0.00 C ATOM 502 NE ARG A 36 8.907 13.045 3.041 1.00 0.00 N ATOM 503 CZ ARG A 36 9.559 13.682 4.007 1.00 0.00 C ATOM 504 NH1 ARG A 36 8.903 14.473 4.845 1.00 0.00 N ATOM 505 NH2 ARG A 36 10.871 13.528 4.137 1.00 0.00 N ATOM 0 H ARG A 36 2.992 13.792 4.633 1.00 0.00 H new ATOM 0 HA ARG A 36 4.044 11.336 3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.948 13.428 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.343 13.962 4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.207 12.574 4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.586 11.415 3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.207 12.712 1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.190 14.211 2.776 1.00 0.00 H new ATOM 0 HE ARG A 36 9.441 12.444 2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.895 14.594 4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.407 14.961 5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.379 12.920 3.495 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.371 14.018 4.879 1.00 0.00 H new ATOM 519 N GLY A 37 4.621 10.140 6.005 1.00 0.00 N ATOM 520 CA GLY A 37 5.102 9.412 7.164 1.00 0.00 C ATOM 521 C GLY A 37 3.979 8.991 8.091 1.00 0.00 C ATOM 522 O GLY A 37 4.188 8.821 9.292 1.00 0.00 O ATOM 0 H GLY A 37 4.154 9.566 5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.647 8.528 6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.808 10.035 7.713 1.00 0.00 H new ATOM 526 N GLU A 38 2.785 8.822 7.533 1.00 0.00 N ATOM 527 CA GLU A 38 1.625 8.420 8.319 1.00 0.00 C ATOM 528 C GLU A 38 0.959 7.187 7.715 1.00 0.00 C ATOM 529 O GLU A 38 0.861 7.055 6.495 1.00 0.00 O ATOM 530 CB GLU A 38 0.616 9.567 8.404 1.00 0.00 C ATOM 531 CG GLU A 38 0.842 10.490 9.590 1.00 0.00 C ATOM 532 CD GLU A 38 0.407 9.870 10.903 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.800 9.587 11.055 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.274 9.668 11.779 1.00 0.00 O ATOM 0 H GLU A 38 2.596 8.957 6.540 1.00 0.00 H new ATOM 0 HA GLU A 38 1.968 8.172 9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.665 10.151 7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.390 9.151 8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.899 10.749 9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.294 11.419 9.432 1.00 0.00 H new ATOM 541 N PHE A 39 0.504 6.284 8.578 1.00 0.00 N ATOM 542 CA PHE A 39 -0.151 5.061 8.131 1.00 0.00 C ATOM 543 C PHE A 39 -1.627 5.310 7.838 1.00 0.00 C ATOM 544 O PHE A 39 -2.247 6.196 8.427 1.00 0.00 O ATOM 545 CB PHE A 39 -0.007 3.965 9.189 1.00 0.00 C ATOM 546 CG PHE A 39 1.377 3.389 9.273 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.839 2.517 8.300 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.218 3.721 10.323 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.112 1.985 8.375 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.493 3.192 10.403 1.00 0.00 C ATOM 551 CZ PHE A 39 3.941 2.324 9.427 1.00 0.00 C ATOM 0 H PHE A 39 0.577 6.377 9.591 1.00 0.00 H new ATOM 0 HA PHE A 39 0.333 4.734 7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.282 4.372 10.162 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.712 3.164 8.968 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.197 2.250 7.474 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.874 4.401 11.088 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.459 1.304 7.612 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.138 3.457 11.228 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.937 1.911 9.486 1.00 0.00 H new ATOM 561 N CYS A 40 -2.183 4.523 6.924 1.00 0.00 N ATOM 562 CA CYS A 40 -3.587 4.658 6.550 1.00 0.00 C ATOM 563 C CYS A 40 -4.003 3.548 5.590 1.00 0.00 C ATOM 564 O CYS A 40 -3.168 2.774 5.121 1.00 0.00 O ATOM 565 CB CYS A 40 -3.836 6.024 5.908 1.00 0.00 C ATOM 566 SG CYS A 40 -2.773 6.377 4.489 1.00 0.00 S ATOM 0 H CYS A 40 -1.684 3.785 6.428 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.188 4.575 7.455 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.877 6.080 5.591 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.689 6.799 6.660 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.355 5.260 3.971 1.00 0.00 H new ATOM 572 N ILE A 41 -5.299 3.476 5.304 1.00 0.00 N ATOM 573 CA ILE A 41 -5.826 2.460 4.401 1.00 0.00 C ATOM 574 C ILE A 41 -6.065 3.034 3.009 1.00 0.00 C ATOM 575 O ILE A 41 -6.663 4.100 2.860 1.00 0.00 O ATOM 576 CB ILE A 41 -7.142 1.864 4.932 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.193 2.963 5.104 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.903 1.141 6.249 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.546 2.442 5.535 1.00 0.00 C ATOM 0 H ILE A 41 -6.003 4.109 5.684 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.077 1.670 4.342 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.515 1.142 4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.838 3.682 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.303 3.500 4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.843 0.725 6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.185 0.335 6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.510 1.844 6.984 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.241 3.275 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.923 1.745 4.786 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.451 1.930 6.492 1.00 0.00 H new ATOM 591 N ALA A 42 -5.597 2.319 1.991 1.00 0.00 N ATOM 592 CA ALA A 42 -5.764 2.754 0.610 1.00 0.00 C ATOM 593 C ALA A 42 -6.711 1.829 -0.146 1.00 0.00 C ATOM 594 O ALA A 42 -6.693 0.613 0.045 1.00 0.00 O ATOM 595 CB ALA A 42 -4.414 2.818 -0.089 1.00 0.00 C ATOM 0 H ALA A 42 -5.099 1.435 2.097 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.204 3.751 0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.553 3.144 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.768 3.525 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.952 1.831 -0.080 1.00 0.00 H new ATOM 601 N LYS A 43 -7.539 2.413 -1.006 1.00 0.00 N ATOM 602 CA LYS A 43 -8.494 1.642 -1.793 1.00 0.00 C ATOM 603 C LYS A 43 -7.843 1.101 -3.062 1.00 0.00 C ATOM 604 O LYS A 43 -7.361 1.866 -3.899 1.00 0.00 O ATOM 605 CB LYS A 43 -9.703 2.507 -2.156 1.00 0.00 C ATOM 606 CG LYS A 43 -10.993 1.718 -2.303 1.00 0.00 C ATOM 607 CD LYS A 43 -12.207 2.632 -2.319 1.00 0.00 C ATOM 608 CE LYS A 43 -13.454 1.910 -1.832 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.695 2.498 -2.409 1.00 0.00 N ATOM 0 H LYS A 43 -7.568 3.418 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.827 0.798 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.838 3.268 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.498 3.030 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.962 1.137 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.082 1.008 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.018 3.501 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.372 3.003 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.392 0.856 -2.102 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.501 1.959 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.523 1.979 -2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.767 3.498 -2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.662 2.429 -3.446 1.00 0.00 H new ATOM 623 N PHE A 44 -7.833 -0.220 -3.200 1.00 0.00 N ATOM 624 CA PHE A 44 -7.241 -0.863 -4.368 1.00 0.00 C ATOM 625 C PHE A 44 -8.205 -0.836 -5.550 1.00 0.00 C ATOM 626 O PHE A 44 -9.420 -0.737 -5.374 1.00 0.00 O ATOM 627 CB PHE A 44 -6.856 -2.307 -4.042 1.00 0.00 C ATOM 628 CG PHE A 44 -5.827 -2.879 -4.975 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.631 -2.215 -5.199 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.055 -4.079 -5.628 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.684 -2.739 -6.058 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.111 -4.608 -6.487 1.00 0.00 C ATOM 633 CZ PHE A 44 -3.923 -3.937 -6.702 1.00 0.00 C ATOM 0 H PHE A 44 -8.228 -0.867 -2.518 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.343 -0.308 -4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.474 -2.351 -3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.750 -2.929 -4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.437 -1.279 -4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.982 -4.608 -5.464 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.757 -2.212 -6.226 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.302 -5.545 -6.990 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.183 -4.348 -7.372 1.00 0.00 H new ATOM 643 N VAL A 45 -7.655 -0.926 -6.757 1.00 0.00 N ATOM 644 CA VAL A 45 -8.465 -0.913 -7.969 1.00 0.00 C ATOM 645 C VAL A 45 -9.652 -1.862 -7.848 1.00 0.00 C ATOM 646 O VAL A 45 -10.650 -1.719 -8.555 1.00 0.00 O ATOM 647 CB VAL A 45 -7.633 -1.305 -9.205 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.407 -0.414 -9.328 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.232 -2.771 -9.133 1.00 0.00 C ATOM 0 H VAL A 45 -6.652 -1.009 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.830 0.106 -8.094 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.246 -1.163 -10.095 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.832 -0.706 -10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.721 0.625 -9.428 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.788 -0.522 -8.437 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.645 -3.031 -10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.636 -2.942 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.127 -3.392 -9.097 1.00 0.00 H new ATOM 659 N ASP A 46 -9.537 -2.831 -6.946 1.00 0.00 N ATOM 660 CA ASP A 46 -10.602 -3.804 -6.729 1.00 0.00 C ATOM 661 C ASP A 46 -11.488 -3.388 -5.559 1.00 0.00 C ATOM 662 O ASP A 46 -12.078 -4.231 -4.885 1.00 0.00 O ATOM 663 CB ASP A 46 -10.010 -5.190 -6.470 1.00 0.00 C ATOM 664 CG ASP A 46 -9.461 -5.830 -7.729 1.00 0.00 C ATOM 665 OD1 ASP A 46 -10.225 -5.964 -8.708 1.00 0.00 O ATOM 666 OD2 ASP A 46 -8.267 -6.199 -7.737 1.00 0.00 O ATOM 0 H ASP A 46 -8.717 -2.964 -6.354 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.215 -3.842 -7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.214 -5.109 -5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.777 -5.836 -6.043 1.00 0.00 H new ATOM 671 N GLY A 47 -11.576 -2.082 -5.324 1.00 0.00 N ATOM 672 CA GLY A 47 -12.391 -1.578 -4.235 1.00 0.00 C ATOM 673 C GLY A 47 -12.055 -2.231 -2.909 1.00 0.00 C ATOM 674 O GLY A 47 -12.851 -2.191 -1.971 1.00 0.00 O ATOM 0 H GLY A 47 -11.097 -1.365 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.253 -0.500 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.443 -1.748 -4.464 1.00 0.00 H new ATOM 678 N GLU A 48 -10.873 -2.835 -2.831 1.00 0.00 N ATOM 679 CA GLU A 48 -10.435 -3.501 -1.610 1.00 0.00 C ATOM 680 C GLU A 48 -9.500 -2.603 -0.805 1.00 0.00 C ATOM 681 O GLU A 48 -8.490 -2.123 -1.319 1.00 0.00 O ATOM 682 CB GLU A 48 -9.733 -4.818 -1.945 1.00 0.00 C ATOM 683 CG GLU A 48 -10.690 -5.952 -2.272 1.00 0.00 C ATOM 684 CD GLU A 48 -10.004 -7.113 -2.965 1.00 0.00 C ATOM 685 OE1 GLU A 48 -8.897 -6.911 -3.507 1.00 0.00 O ATOM 686 OE2 GLU A 48 -10.574 -8.225 -2.965 1.00 0.00 O ATOM 0 H GLU A 48 -10.202 -2.877 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.317 -3.712 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.067 -4.660 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.109 -5.112 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.155 -6.306 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.490 -5.575 -2.909 1.00 0.00 H new ATOM 693 N TRP A 49 -9.843 -2.382 0.458 1.00 0.00 N ATOM 694 CA TRP A 49 -9.035 -1.542 1.334 1.00 0.00 C ATOM 695 C TRP A 49 -7.834 -2.312 1.871 1.00 0.00 C ATOM 696 O TRP A 49 -7.949 -3.480 2.244 1.00 0.00 O ATOM 697 CB TRP A 49 -9.881 -1.018 2.496 1.00 0.00 C ATOM 698 CG TRP A 49 -10.860 0.041 2.088 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.153 -0.147 1.690 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.623 1.452 2.036 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.734 1.062 1.394 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.817 2.059 1.598 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.520 2.262 2.317 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.936 3.436 1.436 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.639 3.630 2.156 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.840 4.206 1.720 1.00 0.00 C ATOM 0 H TRP A 49 -10.676 -2.773 0.899 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.670 -0.697 0.750 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.423 -1.850 2.945 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.221 -0.616 3.264 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.646 -1.105 1.619 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.693 1.196 1.074 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.591 1.827 2.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.860 3.882 1.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.792 4.265 2.370 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.902 5.278 1.606 1.00 0.00 H new ATOM 717 N TYR A 50 -6.681 -1.652 1.907 1.00 0.00 N ATOM 718 CA TYR A 50 -5.458 -2.277 2.397 1.00 0.00 C ATOM 719 C TYR A 50 -4.610 -1.277 3.176 1.00 0.00 C ATOM 720 O TYR A 50 -4.757 -0.065 3.018 1.00 0.00 O ATOM 721 CB TYR A 50 -4.650 -2.847 1.230 1.00 0.00 C ATOM 722 CG TYR A 50 -5.334 -3.997 0.524 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.400 -5.256 1.108 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.914 -3.823 -0.726 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.023 -6.308 0.466 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.541 -4.870 -1.374 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.592 -6.110 -0.774 1.00 0.00 C ATOM 728 OH TYR A 50 -7.215 -7.156 -1.416 1.00 0.00 O ATOM 0 H TYR A 50 -6.568 -0.685 1.603 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.738 -3.089 3.068 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.458 -2.052 0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.681 -3.183 1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.957 -5.414 2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.874 -2.853 -1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.064 -7.281 0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.989 -4.718 -2.345 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.592 -6.841 -2.264 1.00 0.00 H new ATOM 738 N ARG A 51 -3.722 -1.794 4.019 1.00 0.00 N ATOM 739 CA ARG A 51 -2.850 -0.948 4.825 1.00 0.00 C ATOM 740 C ARG A 51 -1.708 -0.386 3.983 1.00 0.00 C ATOM 741 O ARG A 51 -1.106 -1.100 3.181 1.00 0.00 O ATOM 742 CB ARG A 51 -2.286 -1.739 6.006 1.00 0.00 C ATOM 743 CG ARG A 51 -3.174 -1.709 7.239 1.00 0.00 C ATOM 744 CD ARG A 51 -2.372 -1.946 8.509 1.00 0.00 C ATOM 745 NE ARG A 51 -2.282 -3.365 8.844 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.360 -4.180 8.345 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.453 -3.719 7.494 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.343 -5.459 8.697 1.00 0.00 N ATOM 0 H ARG A 51 -3.587 -2.795 4.162 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.443 -0.115 5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.137 -2.775 5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.306 -1.339 6.265 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.680 -0.745 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.949 -2.470 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.369 -1.539 8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.835 -1.407 9.336 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.964 -3.751 9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.463 -2.736 7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.254 -4.347 7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.039 -5.817 9.351 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.634 -6.084 8.313 1.00 0.00 H new ATOM 762 N ALA A 52 -1.416 0.896 4.171 1.00 0.00 N ATOM 763 CA ALA A 52 -0.346 1.553 3.430 1.00 0.00 C ATOM 764 C ALA A 52 0.187 2.761 4.192 1.00 0.00 C ATOM 765 O ALA A 52 -0.558 3.441 4.898 1.00 0.00 O ATOM 766 CB ALA A 52 -0.837 1.971 2.052 1.00 0.00 C ATOM 0 H ALA A 52 -1.905 1.501 4.830 1.00 0.00 H new ATOM 0 HA ALA A 52 0.471 0.841 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.027 2.460 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.163 1.090 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.673 2.663 2.158 1.00 0.00 H new ATOM 772 N ARG A 53 1.482 3.023 4.045 1.00 0.00 N ATOM 773 CA ARG A 53 2.116 4.148 4.722 1.00 0.00 C ATOM 774 C ARG A 53 2.473 5.249 3.727 1.00 0.00 C ATOM 775 O ARG A 53 3.217 5.020 2.773 1.00 0.00 O ATOM 776 CB ARG A 53 3.373 3.685 5.460 1.00 0.00 C ATOM 777 CG ARG A 53 4.018 4.771 6.305 1.00 0.00 C ATOM 778 CD ARG A 53 5.198 4.233 7.099 1.00 0.00 C ATOM 779 NE ARG A 53 5.454 5.021 8.301 1.00 0.00 N ATOM 780 CZ ARG A 53 6.244 4.618 9.290 1.00 0.00 C ATOM 781 NH1 ARG A 53 6.851 3.441 9.220 1.00 0.00 N ATOM 782 NH2 ARG A 53 6.428 5.392 10.352 1.00 0.00 N ATOM 0 H ARG A 53 2.112 2.471 3.463 1.00 0.00 H new ATOM 0 HA ARG A 53 1.407 4.551 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.118 2.841 6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.099 3.324 4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.352 5.584 5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.279 5.189 6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.005 3.197 7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.088 4.232 6.470 1.00 0.00 H new ATOM 0 HE ARG A 53 5.001 5.931 8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.712 2.843 8.405 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.457 3.134 9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.963 6.298 10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.035 5.081 11.111 1.00 0.00 H new ATOM 796 N VAL A 54 1.938 6.444 3.957 1.00 0.00 N ATOM 797 CA VAL A 54 2.201 7.580 3.082 1.00 0.00 C ATOM 798 C VAL A 54 3.698 7.772 2.865 1.00 0.00 C ATOM 799 O VAL A 54 4.454 7.953 3.819 1.00 0.00 O ATOM 800 CB VAL A 54 1.606 8.880 3.655 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.833 10.040 2.698 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.124 8.702 3.949 1.00 0.00 C ATOM 0 H VAL A 54 1.320 6.650 4.742 1.00 0.00 H new ATOM 0 HA VAL A 54 1.723 7.361 2.127 1.00 0.00 H new ATOM 0 HB VAL A 54 2.114 9.110 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.406 10.949 3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.903 10.180 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.354 9.823 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.281 9.630 4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.402 8.447 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.009 7.901 4.676 1.00 0.00 H new ATOM 812 N GLU A 55 4.118 7.733 1.605 1.00 0.00 N ATOM 813 CA GLU A 55 5.525 7.902 1.263 1.00 0.00 C ATOM 814 C GLU A 55 5.813 9.340 0.840 1.00 0.00 C ATOM 815 O GLU A 55 6.784 9.949 1.290 1.00 0.00 O ATOM 816 CB GLU A 55 5.920 6.940 0.141 1.00 0.00 C ATOM 817 CG GLU A 55 5.868 5.477 0.547 1.00 0.00 C ATOM 818 CD GLU A 55 6.867 4.625 -0.211 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.598 4.296 -1.385 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.919 4.287 0.371 1.00 0.00 O ATOM 0 H GLU A 55 3.504 7.586 0.804 1.00 0.00 H new ATOM 0 HA GLU A 55 6.117 7.676 2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.257 7.096 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.929 7.180 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.063 5.394 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.863 5.092 0.375 1.00 0.00 H new ATOM 827 N LYS A 56 4.962 9.877 -0.027 1.00 0.00 N ATOM 828 CA LYS A 56 5.123 11.243 -0.512 1.00 0.00 C ATOM 829 C LYS A 56 3.778 11.836 -0.921 1.00 0.00 C ATOM 830 O LYS A 56 3.155 11.384 -1.882 1.00 0.00 O ATOM 831 CB LYS A 56 6.088 11.275 -1.699 1.00 0.00 C ATOM 832 CG LYS A 56 5.786 12.376 -2.699 1.00 0.00 C ATOM 833 CD LYS A 56 6.945 12.593 -3.658 1.00 0.00 C ATOM 834 CE LYS A 56 6.494 13.298 -4.928 1.00 0.00 C ATOM 835 NZ LYS A 56 7.636 13.580 -5.841 1.00 0.00 N ATOM 0 H LYS A 56 4.153 9.387 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 56 5.535 11.844 0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.104 11.403 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.054 10.313 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.889 12.120 -3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.574 13.304 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.718 13.184 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.392 11.632 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.760 12.680 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.998 14.233 -4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.287 14.061 -6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.325 14.190 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.094 12.686 -6.110 1.00 0.00 H new ATOM 849 N VAL A 57 3.337 12.852 -0.186 1.00 0.00 N ATOM 850 CA VAL A 57 2.068 13.510 -0.474 1.00 0.00 C ATOM 851 C VAL A 57 2.256 14.661 -1.455 1.00 0.00 C ATOM 852 O VAL A 57 2.765 15.721 -1.092 1.00 0.00 O ATOM 853 CB VAL A 57 1.410 14.046 0.811 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.027 14.604 0.510 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.335 12.954 1.867 1.00 0.00 C ATOM 0 H VAL A 57 3.840 13.237 0.613 1.00 0.00 H new ATOM 0 HA VAL A 57 1.416 12.759 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 57 2.025 14.856 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.423 14.978 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.112 15.418 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.601 13.816 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.867 13.351 2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.743 12.121 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.341 12.607 2.103 1.00 0.00 H new ATOM 865 N GLU A 58 1.840 14.446 -2.699 1.00 0.00 N ATOM 866 CA GLU A 58 1.963 15.467 -3.733 1.00 0.00 C ATOM 867 C GLU A 58 0.793 16.444 -3.674 1.00 0.00 C ATOM 868 O GLU A 58 0.973 17.628 -3.390 1.00 0.00 O ATOM 869 CB GLU A 58 2.031 14.817 -5.117 1.00 0.00 C ATOM 870 CG GLU A 58 3.426 14.357 -5.506 1.00 0.00 C ATOM 871 CD GLU A 58 4.257 15.469 -6.116 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.658 16.388 -5.371 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.507 15.420 -7.339 1.00 0.00 O ATOM 0 H GLU A 58 1.415 13.574 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 58 2.885 16.020 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.356 13.962 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.671 15.528 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.936 13.969 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.348 13.534 -6.217 1.00 0.00 H new ATOM 880 N SER A 59 -0.406 15.939 -3.945 1.00 0.00 N ATOM 881 CA SER A 59 -1.606 16.768 -3.927 1.00 0.00 C ATOM 882 C SER A 59 -2.830 15.944 -3.539 1.00 0.00 C ATOM 883 O SER A 59 -2.824 14.714 -3.591 1.00 0.00 O ATOM 884 CB SER A 59 -1.826 17.414 -5.297 1.00 0.00 C ATOM 885 OG SER A 59 -0.595 17.607 -5.973 1.00 0.00 O ATOM 0 H SER A 59 -0.573 14.960 -4.180 1.00 0.00 H new ATOM 0 HA SER A 59 -1.465 17.551 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.480 16.784 -5.899 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.331 18.372 -5.174 1.00 0.00 H new ATOM 0 HG SER A 59 -0.762 18.020 -6.846 1.00 0.00 H new ATOM 891 N PRO A 60 -3.906 16.637 -3.139 1.00 0.00 N ATOM 892 CA PRO A 60 -5.158 15.991 -2.735 1.00 0.00 C ATOM 893 C PRO A 60 -5.612 14.929 -3.731 1.00 0.00 C ATOM 894 O PRO A 60 -6.449 14.085 -3.414 1.00 0.00 O ATOM 895 CB PRO A 60 -6.158 17.149 -2.695 1.00 0.00 C ATOM 896 CG PRO A 60 -5.327 18.359 -2.440 1.00 0.00 C ATOM 897 CD PRO A 60 -3.984 18.105 -3.053 1.00 0.00 C ATOM 0 HA PRO A 60 -5.056 15.464 -1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.703 17.234 -3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.899 17.005 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.790 19.244 -2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.234 18.544 -1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.900 18.568 -4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.181 18.512 -2.439 1.00 0.00 H new ATOM 905 N ALA A 61 -5.053 14.979 -4.936 1.00 0.00 N ATOM 906 CA ALA A 61 -5.398 14.019 -5.978 1.00 0.00 C ATOM 907 C ALA A 61 -4.282 13.000 -6.177 1.00 0.00 C ATOM 908 O ALA A 61 -4.511 11.905 -6.692 1.00 0.00 O ATOM 909 CB ALA A 61 -5.695 14.742 -7.283 1.00 0.00 C ATOM 0 H ALA A 61 -4.360 15.673 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.292 13.481 -5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.951 14.014 -8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.531 15.426 -7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.816 15.305 -7.595 1.00 0.00 H new ATOM 915 N LYS A 62 -3.073 13.365 -5.766 1.00 0.00 N ATOM 916 CA LYS A 62 -1.920 12.483 -5.898 1.00 0.00 C ATOM 917 C LYS A 62 -1.236 12.275 -4.551 1.00 0.00 C ATOM 918 O LYS A 62 -0.679 13.211 -3.976 1.00 0.00 O ATOM 919 CB LYS A 62 -0.922 13.061 -6.905 1.00 0.00 C ATOM 920 CG LYS A 62 -1.398 12.984 -8.345 1.00 0.00 C ATOM 921 CD LYS A 62 -0.230 12.908 -9.315 1.00 0.00 C ATOM 922 CE LYS A 62 -0.653 12.316 -10.650 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.196 13.353 -11.570 1.00 0.00 N ATOM 0 H LYS A 62 -2.866 14.267 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.273 11.517 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.725 14.103 -6.651 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.024 12.526 -6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.035 12.109 -8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.007 13.858 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.180 13.906 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.565 12.301 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.202 11.827 -11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.408 11.547 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.473 12.909 -12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.027 13.802 -11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.468 14.073 -11.750 1.00 0.00 H new ATOM 937 N ILE A 63 -1.281 11.044 -4.053 1.00 0.00 N ATOM 938 CA ILE A 63 -0.663 10.714 -2.774 1.00 0.00 C ATOM 939 C ILE A 63 0.152 9.430 -2.873 1.00 0.00 C ATOM 940 O ILE A 63 -0.402 8.338 -3.008 1.00 0.00 O ATOM 941 CB ILE A 63 -1.718 10.556 -1.664 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.823 11.601 -1.827 1.00 0.00 C ATOM 943 CG2 ILE A 63 -1.067 10.674 -0.294 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.405 12.993 -1.407 1.00 0.00 C ATOM 0 H ILE A 63 -1.739 10.259 -4.515 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.001 11.542 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.166 9.566 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.139 11.624 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.689 11.297 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.826 10.560 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.313 9.895 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.595 11.652 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.238 13.682 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.117 12.985 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.559 13.317 -2.013 1.00 0.00 H new ATOM 956 N HIS A 64 1.473 9.567 -2.803 1.00 0.00 N ATOM 957 CA HIS A 64 2.366 8.416 -2.882 1.00 0.00 C ATOM 958 C HIS A 64 2.292 7.582 -1.606 1.00 0.00 C ATOM 959 O HIS A 64 2.448 8.104 -0.502 1.00 0.00 O ATOM 960 CB HIS A 64 3.804 8.876 -3.122 1.00 0.00 C ATOM 961 CG HIS A 64 3.968 9.712 -4.353 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.850 9.398 -5.365 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.354 10.858 -4.733 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.774 10.314 -6.314 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.873 11.211 -5.955 1.00 0.00 N ATOM 0 H HIS A 64 1.948 10.463 -2.692 1.00 0.00 H new ATOM 0 HA HIS A 64 2.046 7.796 -3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.143 9.447 -2.257 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.449 8.000 -3.199 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.466 8.585 -5.379 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.598 11.394 -4.179 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.350 10.327 -7.227 1.00 0.00 H new ATOM 973 N VAL A 65 2.052 6.285 -1.766 1.00 0.00 N ATOM 974 CA VAL A 65 1.958 5.379 -0.627 1.00 0.00 C ATOM 975 C VAL A 65 2.577 4.024 -0.950 1.00 0.00 C ATOM 976 O VAL A 65 2.931 3.748 -2.097 1.00 0.00 O ATOM 977 CB VAL A 65 0.494 5.172 -0.194 1.00 0.00 C ATOM 978 CG1 VAL A 65 -0.009 6.380 0.582 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.386 4.902 -1.405 1.00 0.00 C ATOM 0 H VAL A 65 1.919 5.838 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 65 2.510 5.841 0.192 1.00 0.00 H new ATOM 0 HB VAL A 65 0.446 4.303 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.045 6.216 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.606 6.523 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.051 7.268 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.417 4.758 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.335 5.750 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.037 4.004 -1.915 1.00 0.00 H new ATOM 989 N PHE A 66 2.705 3.180 0.069 1.00 0.00 N ATOM 990 CA PHE A 66 3.282 1.852 -0.106 1.00 0.00 C ATOM 991 C PHE A 66 2.536 0.820 0.734 1.00 0.00 C ATOM 992 O PHE A 66 2.474 0.928 1.959 1.00 0.00 O ATOM 993 CB PHE A 66 4.764 1.863 0.276 1.00 0.00 C ATOM 994 CG PHE A 66 5.327 0.493 0.530 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.755 -0.300 -0.523 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.429 0.000 1.820 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.273 -1.560 -0.292 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.947 -1.259 2.057 1.00 0.00 C ATOM 999 CZ PHE A 66 6.370 -2.040 1.000 1.00 0.00 C ATOM 0 H PHE A 66 2.417 3.392 1.024 1.00 0.00 H new ATOM 0 HA PHE A 66 3.186 1.577 -1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.333 2.339 -0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.896 2.473 1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.683 0.071 -1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.100 0.607 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.602 -2.169 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.021 -1.632 3.068 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.776 -3.024 1.183 1.00 0.00 H new ATOM 1009 N TYR A 67 1.971 -0.180 0.067 1.00 0.00 N ATOM 1010 CA TYR A 67 1.226 -1.231 0.750 1.00 0.00 C ATOM 1011 C TYR A 67 2.149 -2.069 1.630 1.00 0.00 C ATOM 1012 O TYR A 67 2.981 -2.827 1.130 1.00 0.00 O ATOM 1013 CB TYR A 67 0.520 -2.128 -0.267 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.573 -1.424 -1.040 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.265 -0.532 -2.060 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.913 -1.652 -0.751 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.260 0.114 -2.768 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.914 -1.011 -1.455 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.582 -0.129 -2.462 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.576 0.511 -3.166 1.00 0.00 O ATOM 0 H TYR A 67 2.015 -0.285 -0.947 1.00 0.00 H new ATOM 0 HA TYR A 67 0.479 -0.757 1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.257 -2.517 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.092 -2.985 0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.770 -0.341 -2.303 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.176 -2.342 0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.004 0.806 -3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.951 -1.199 -1.218 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.451 0.228 -2.827 1.00 0.00 H new ATOM 1030 N ILE A 68 1.995 -1.926 2.942 1.00 0.00 N ATOM 1031 CA ILE A 68 2.813 -2.670 3.892 1.00 0.00 C ATOM 1032 C ILE A 68 2.261 -4.075 4.109 1.00 0.00 C ATOM 1033 O ILE A 68 2.588 -4.736 5.095 1.00 0.00 O ATOM 1034 CB ILE A 68 2.897 -1.948 5.250 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.599 -2.143 6.036 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.181 -0.467 5.045 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.640 -1.546 7.426 1.00 0.00 C ATOM 0 H ILE A 68 1.312 -1.302 3.371 1.00 0.00 H new ATOM 0 HA ILE A 68 3.813 -2.737 3.463 1.00 0.00 H new ATOM 0 HB ILE A 68 3.716 -2.379 5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.776 -1.694 5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.387 -3.209 6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.238 0.030 6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.129 -0.348 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.380 -0.021 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.687 -1.721 7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.441 -2.013 7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.821 -0.473 7.356 1.00 0.00 H new ATOM 1049 N ASP A 69 1.424 -4.526 3.182 1.00 0.00 N ATOM 1050 CA ASP A 69 0.828 -5.854 3.270 1.00 0.00 C ATOM 1051 C ASP A 69 1.351 -6.759 2.159 1.00 0.00 C ATOM 1052 O ASP A 69 1.555 -7.956 2.363 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.696 -5.759 3.192 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.257 -4.686 4.105 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.111 -4.821 5.338 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -1.842 -3.712 3.586 1.00 0.00 O ATOM 0 H ASP A 69 1.142 -3.991 2.360 1.00 0.00 H new ATOM 0 HA ASP A 69 1.108 -6.288 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.992 -5.548 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.131 -6.722 3.458 1.00 0.00 H new ATOM 1061 N TYR A 70 1.566 -6.179 0.983 1.00 0.00 N ATOM 1062 CA TYR A 70 2.062 -6.934 -0.162 1.00 0.00 C ATOM 1063 C TYR A 70 3.490 -6.524 -0.507 1.00 0.00 C ATOM 1064 O TYR A 70 4.360 -7.371 -0.708 1.00 0.00 O ATOM 1065 CB TYR A 70 1.151 -6.721 -1.373 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.287 -7.115 -1.125 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.115 -6.333 -0.329 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.819 -8.268 -1.688 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.430 -6.689 -0.100 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.133 -8.632 -1.465 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.934 -7.839 -0.670 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.244 -8.197 -0.445 1.00 0.00 O ATOM 0 H TYR A 70 1.405 -5.189 0.798 1.00 0.00 H new ATOM 0 HA TYR A 70 2.061 -7.991 0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.186 -5.671 -1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.537 -7.298 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.724 -5.431 0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.194 -8.891 -2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.060 -6.070 0.522 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.531 -9.532 -1.910 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.819 -7.408 -0.533 1.00 0.00 H new ATOM 1082 N GLY A 71 3.724 -5.217 -0.574 1.00 0.00 N ATOM 1083 CA GLY A 71 5.048 -4.716 -0.894 1.00 0.00 C ATOM 1084 C GLY A 71 5.090 -4.001 -2.230 1.00 0.00 C ATOM 1085 O GLY A 71 5.984 -4.237 -3.040 1.00 0.00 O ATOM 0 H GLY A 71 3.021 -4.496 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.374 -4.033 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.754 -5.546 -0.907 1.00 0.00 H new ATOM 1089 N ASN A 72 4.117 -3.124 -2.461 1.00 0.00 N ATOM 1090 CA ASN A 72 4.045 -2.374 -3.709 1.00 0.00 C ATOM 1091 C ASN A 72 3.701 -0.911 -3.445 1.00 0.00 C ATOM 1092 O ASN A 72 3.123 -0.575 -2.412 1.00 0.00 O ATOM 1093 CB ASN A 72 3.003 -2.994 -4.642 1.00 0.00 C ATOM 1094 CG ASN A 72 1.625 -3.053 -4.011 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.347 -3.919 -3.181 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.754 -2.130 -4.403 1.00 0.00 N ATOM 0 H ASN A 72 3.368 -2.916 -1.800 1.00 0.00 H new ATOM 0 HA ASN A 72 5.023 -2.419 -4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.953 -2.414 -5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.318 -4.001 -4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.189 -2.120 -4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.028 -1.431 -5.094 1.00 0.00 H new ATOM 1103 N ARG A 73 4.061 -0.045 -4.387 1.00 0.00 N ATOM 1104 CA ARG A 73 3.791 1.381 -4.257 1.00 0.00 C ATOM 1105 C ARG A 73 2.823 1.853 -5.338 1.00 0.00 C ATOM 1106 O ARG A 73 2.814 1.324 -6.449 1.00 0.00 O ATOM 1107 CB ARG A 73 5.095 2.178 -4.342 1.00 0.00 C ATOM 1108 CG ARG A 73 6.259 1.520 -3.619 1.00 0.00 C ATOM 1109 CD ARG A 73 7.591 1.906 -4.243 1.00 0.00 C ATOM 1110 NE ARG A 73 7.698 3.347 -4.457 1.00 0.00 N ATOM 1111 CZ ARG A 73 8.601 3.906 -5.255 1.00 0.00 C ATOM 1112 NH1 ARG A 73 9.470 3.149 -5.912 1.00 0.00 N ATOM 1113 NH2 ARG A 73 8.636 5.224 -5.398 1.00 0.00 N ATOM 0 H ARG A 73 4.540 -0.307 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 73 3.331 1.551 -3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.360 2.314 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.932 3.171 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.249 1.813 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.142 0.437 -3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.404 1.574 -3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.709 1.388 -5.195 1.00 0.00 H new ATOM 0 HE ARG A 73 7.044 3.957 -3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.446 2.135 -5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.162 3.581 -6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.969 5.809 -4.895 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.330 5.652 -6.011 1.00 0.00 H new ATOM 1127 N GLU A 74 2.010 2.850 -5.003 1.00 0.00 N ATOM 1128 CA GLU A 74 1.037 3.391 -5.945 1.00 0.00 C ATOM 1129 C GLU A 74 0.635 4.811 -5.557 1.00 0.00 C ATOM 1130 O GLU A 74 0.468 5.120 -4.377 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.202 2.495 -6.003 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.253 2.974 -6.991 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.811 2.818 -8.433 1.00 0.00 C ATOM 1134 OE1 GLU A 74 0.111 2.015 -8.687 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -1.387 3.498 -9.308 1.00 0.00 O ATOM 0 H GLU A 74 2.006 3.299 -4.087 1.00 0.00 H new ATOM 0 HA GLU A 74 1.501 3.421 -6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.103 1.484 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.647 2.440 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.175 2.414 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.479 4.022 -6.795 1.00 0.00 H new ATOM 1142 N VAL A 75 0.482 5.671 -6.559 1.00 0.00 N ATOM 1143 CA VAL A 75 0.099 7.058 -6.324 1.00 0.00 C ATOM 1144 C VAL A 75 -1.413 7.233 -6.409 1.00 0.00 C ATOM 1145 O VAL A 75 -1.971 7.387 -7.496 1.00 0.00 O ATOM 1146 CB VAL A 75 0.772 8.005 -7.336 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.286 9.432 -7.136 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.286 7.926 -7.213 1.00 0.00 C ATOM 0 H VAL A 75 0.617 5.431 -7.541 1.00 0.00 H new ATOM 0 HA VAL A 75 0.435 7.313 -5.319 1.00 0.00 H new ATOM 0 HB VAL A 75 0.495 7.690 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.772 10.087 -7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.794 9.472 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.531 9.762 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.745 8.601 -7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.585 8.215 -6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.614 6.906 -7.411 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.071 7.208 -5.255 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.520 7.365 -5.198 1.00 0.00 C ATOM 1160 C LEU A 76 -3.900 8.665 -4.496 1.00 0.00 C ATOM 1161 O LEU A 76 -3.166 9.182 -3.654 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.153 6.176 -4.472 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.637 4.793 -4.871 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.741 3.827 -3.702 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.406 4.264 -6.073 1.00 0.00 C ATOM 0 H LEU A 76 -1.624 7.081 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.897 7.402 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.997 6.305 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.229 6.203 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.587 4.884 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.369 2.848 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.146 4.199 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.783 3.740 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.026 3.279 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.464 4.188 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.279 4.945 -6.914 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.076 9.206 -4.849 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.582 10.451 -4.263 1.00 0.00 C ATOM 1179 C PRO A 77 -5.986 10.282 -2.802 1.00 0.00 C ATOM 1180 O PRO A 77 -5.984 9.171 -2.272 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.806 10.775 -5.122 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.252 9.459 -5.659 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.003 8.643 -5.845 1.00 0.00 C ATOM 0 HA PRO A 77 -4.826 11.237 -4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.590 11.248 -4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.553 11.466 -5.927 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.939 8.969 -4.969 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.782 9.582 -6.604 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.186 7.583 -5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.610 8.735 -6.857 1.00 0.00 H new ATOM 1191 N SER A 78 -6.332 11.391 -2.157 1.00 0.00 N ATOM 1192 CA SER A 78 -6.735 11.366 -0.755 1.00 0.00 C ATOM 1193 C SER A 78 -8.141 10.794 -0.605 1.00 0.00 C ATOM 1194 O SER A 78 -8.634 10.609 0.508 1.00 0.00 O ATOM 1195 CB SER A 78 -6.679 12.775 -0.161 1.00 0.00 C ATOM 1196 OG SER A 78 -7.728 13.583 -0.665 1.00 0.00 O ATOM 0 H SER A 78 -6.342 12.318 -2.582 1.00 0.00 H new ATOM 0 HA SER A 78 -6.040 10.724 -0.214 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.749 12.718 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.718 13.234 -0.395 1.00 0.00 H new ATOM 0 HG SER A 78 -7.505 13.881 -1.572 1.00 0.00 H new ATOM 1202 N THR A 79 -8.784 10.515 -1.735 1.00 0.00 N ATOM 1203 CA THR A 79 -10.134 9.965 -1.731 1.00 0.00 C ATOM 1204 C THR A 79 -10.117 8.470 -1.435 1.00 0.00 C ATOM 1205 O THR A 79 -11.047 7.938 -0.828 1.00 0.00 O ATOM 1206 CB THR A 79 -10.841 10.203 -3.078 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.070 9.636 -4.143 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.044 11.689 -3.328 1.00 0.00 C ATOM 0 H THR A 79 -8.391 10.661 -2.665 1.00 0.00 H new ATOM 0 HA THR A 79 -10.684 10.482 -0.945 1.00 0.00 H new ATOM 0 HB THR A 79 -11.818 9.721 -3.040 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.527 9.790 -4.996 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.545 11.832 -4.285 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.656 12.112 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.076 12.190 -3.347 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.056 7.797 -1.867 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.919 6.362 -1.649 1.00 0.00 C ATOM 1218 C ARG A 80 -8.245 6.078 -0.310 1.00 0.00 C ATOM 1219 O ARG A 80 -8.092 4.922 0.088 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.114 5.726 -2.783 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.218 6.478 -4.100 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.049 5.546 -5.289 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.537 6.145 -6.528 1.00 0.00 N ATOM 1224 CZ ARG A 80 -8.649 5.479 -7.672 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -8.309 4.199 -7.734 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -9.102 6.093 -8.758 1.00 0.00 N ATOM 0 H ARG A 80 -8.278 8.223 -2.371 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.918 5.925 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.066 5.671 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.457 4.702 -2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.186 6.975 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.457 7.257 -4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.996 5.289 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.586 4.616 -5.100 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.807 7.129 -6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.960 3.723 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.396 3.690 -8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.365 7.078 -8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.187 5.580 -9.636 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.842 7.139 0.381 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.182 7.004 1.675 1.00 0.00 C ATOM 1242 C LEU A 81 -8.160 7.274 2.814 1.00 0.00 C ATOM 1243 O LEU A 81 -9.036 8.130 2.704 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.996 7.964 1.767 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.844 7.704 0.795 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.825 8.831 0.860 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.183 6.367 1.096 1.00 0.00 C ATOM 0 H LEU A 81 -7.961 8.102 0.067 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.820 5.980 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.361 8.978 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.603 7.927 2.783 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.249 7.667 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.013 8.628 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.306 9.772 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.425 8.902 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.366 6.199 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.792 6.375 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.917 5.567 0.996 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.000 6.539 3.911 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.874 6.715 5.056 1.00 0.00 C ATOM 1261 C GLY A 82 -8.166 6.459 6.371 1.00 0.00 C ATOM 1262 O GLY A 82 -7.019 6.010 6.391 1.00 0.00 O ATOM 0 H GLY A 82 -7.281 5.825 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.272 7.730 5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.724 6.039 4.967 1.00 0.00 H new ATOM 1266 N THR A 83 -8.848 6.745 7.475 1.00 0.00 N ATOM 1267 CA THR A 83 -8.276 6.545 8.801 1.00 0.00 C ATOM 1268 C THR A 83 -8.126 5.061 9.117 1.00 0.00 C ATOM 1269 O THR A 83 -9.115 4.332 9.208 1.00 0.00 O ATOM 1270 CB THR A 83 -9.141 7.206 9.891 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.727 8.412 9.388 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.310 7.517 11.126 1.00 0.00 C ATOM 0 H THR A 83 -9.798 7.116 7.477 1.00 0.00 H new ATOM 0 HA THR A 83 -7.292 7.013 8.795 1.00 0.00 H new ATOM 0 HB THR A 83 -9.931 6.508 10.170 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.277 8.825 10.087 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.942 7.983 11.882 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.890 6.593 11.524 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.502 8.198 10.859 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.885 4.620 9.284 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.605 3.221 9.592 1.00 0.00 C ATOM 1282 C LEU A 84 -6.947 2.904 11.044 1.00 0.00 C ATOM 1283 O LEU A 84 -6.258 3.343 11.965 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.134 2.903 9.321 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.608 1.597 9.917 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.426 0.416 9.420 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.137 1.410 9.578 1.00 0.00 C ATOM 0 H LEU A 84 -6.056 5.210 9.212 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.229 2.601 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.982 2.873 8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.529 3.724 9.706 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.706 1.650 11.001 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.037 -0.505 9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.467 0.545 9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.361 0.360 8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.780 0.475 10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.014 1.379 8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.561 2.241 9.985 1.00 0.00 H new ATOM 1299 N SER A 85 -8.014 2.137 11.241 1.00 0.00 N ATOM 1300 CA SER A 85 -8.448 1.761 12.582 1.00 0.00 C ATOM 1301 C SER A 85 -7.319 1.079 13.348 1.00 0.00 C ATOM 1302 O SER A 85 -6.506 0.346 12.784 1.00 0.00 O ATOM 1303 CB SER A 85 -9.662 0.833 12.507 1.00 0.00 C ATOM 1304 OG SER A 85 -10.027 0.365 13.794 1.00 0.00 O ATOM 0 H SER A 85 -8.594 1.764 10.490 1.00 0.00 H new ATOM 0 HA SER A 85 -8.727 2.670 13.114 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.502 1.363 12.058 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.437 -0.014 11.859 1.00 0.00 H new ATOM 0 HG SER A 85 -10.806 -0.225 13.719 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.265 1.325 14.665 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.241 0.745 15.538 1.00 0.00 C ATOM 1312 C PRO A 86 -6.423 -0.757 15.727 1.00 0.00 C ATOM 1313 O PRO A 86 -5.461 -1.483 15.975 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.447 1.479 16.865 1.00 0.00 C ATOM 1315 CG PRO A 86 -7.875 1.904 16.844 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.201 2.189 15.404 1.00 0.00 C ATOM 0 HA PRO A 86 -5.240 0.860 15.123 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.240 0.828 17.714 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.780 2.337 16.951 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.521 1.122 17.243 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.028 2.789 17.461 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.238 1.949 15.172 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.055 3.241 15.160 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.664 -1.218 15.607 1.00 0.00 N ATOM 1325 CA ALA A 87 -7.972 -2.634 15.762 1.00 0.00 C ATOM 1326 C ALA A 87 -7.353 -3.456 14.637 1.00 0.00 C ATOM 1327 O ALA A 87 -6.887 -4.575 14.856 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.478 -2.845 15.806 1.00 0.00 C ATOM 0 H ALA A 87 -8.473 -0.631 15.403 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.541 -2.973 16.704 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.693 -3.907 15.922 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.898 -2.295 16.648 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.923 -2.484 14.879 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.352 -2.896 13.432 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.791 -3.579 12.272 1.00 0.00 C ATOM 1336 C PHE A 88 -5.391 -3.060 11.960 1.00 0.00 C ATOM 1337 O PHE A 88 -4.657 -3.657 11.172 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.700 -3.391 11.055 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.156 -3.599 11.356 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.599 -4.788 11.914 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.083 -2.606 11.082 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -10.939 -4.982 12.193 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.424 -2.795 11.359 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.852 -3.985 11.914 1.00 0.00 C ATOM 0 H PHE A 88 -7.733 -1.971 13.233 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.722 -4.642 12.505 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.559 -2.385 10.659 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.396 -4.087 10.273 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.889 -5.572 12.133 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.754 -1.674 10.647 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.271 -5.913 12.629 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.136 -2.013 11.142 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.900 -4.135 12.129 1.00 0.00 H new ATOM 1354 N SER A 89 -5.027 -1.943 12.582 1.00 0.00 N ATOM 1355 CA SER A 89 -3.716 -1.341 12.369 1.00 0.00 C ATOM 1356 C SER A 89 -2.607 -2.371 12.561 1.00 0.00 C ATOM 1357 O SER A 89 -2.648 -3.180 13.488 1.00 0.00 O ATOM 1358 CB SER A 89 -3.509 -0.166 13.327 1.00 0.00 C ATOM 1359 OG SER A 89 -3.440 -0.611 14.671 1.00 0.00 O ATOM 0 H SER A 89 -5.622 -1.436 13.238 1.00 0.00 H new ATOM 0 HA SER A 89 -3.674 -0.975 11.343 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.591 0.362 13.068 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.328 0.545 13.218 1.00 0.00 H new ATOM 0 HG SER A 89 -4.178 -1.231 14.849 1.00 0.00 H new ATOM 1365 N THR A 90 -1.615 -2.334 11.677 1.00 0.00 N ATOM 1366 CA THR A 90 -0.494 -3.263 11.747 1.00 0.00 C ATOM 1367 C THR A 90 -0.042 -3.471 13.188 1.00 0.00 C ATOM 1368 O THR A 90 0.514 -4.515 13.529 1.00 0.00 O ATOM 1369 CB THR A 90 0.701 -2.766 10.912 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.810 -3.659 11.064 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.111 -1.363 11.335 1.00 0.00 C ATOM 0 H THR A 90 -1.565 -1.670 10.904 1.00 0.00 H new ATOM 0 HA THR A 90 -0.843 -4.211 11.338 1.00 0.00 H new ATOM 0 HB THR A 90 0.398 -2.739 9.865 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.521 -4.576 10.873 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.957 -1.034 10.731 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.274 -0.680 11.190 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.397 -1.369 12.387 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.283 -2.472 14.029 1.00 0.00 N ATOM 1380 CA ARG A 91 0.100 -2.546 15.434 1.00 0.00 C ATOM 1381 C ARG A 91 -0.160 -3.940 15.996 1.00 0.00 C ATOM 1382 O ARG A 91 0.532 -4.392 16.908 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.668 -1.504 16.250 1.00 0.00 C ATOM 1384 CG ARG A 91 0.050 -0.169 16.362 1.00 0.00 C ATOM 1385 CD ARG A 91 0.949 -0.121 17.587 1.00 0.00 C ATOM 1386 NE ARG A 91 2.301 -0.587 17.292 1.00 0.00 N ATOM 1387 CZ ARG A 91 3.302 -0.538 18.163 1.00 0.00 C ATOM 1388 NH1 ARG A 91 3.104 -0.046 19.378 1.00 0.00 N ATOM 1389 NH2 ARG A 91 4.505 -0.982 17.820 1.00 0.00 N ATOM 0 H ARG A 91 -0.742 -1.601 13.762 1.00 0.00 H new ATOM 0 HA ARG A 91 1.168 -2.338 15.505 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.645 -1.345 15.793 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.845 -1.897 17.251 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.646 0.001 15.465 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.683 0.636 16.415 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.992 0.900 17.965 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.518 -0.736 18.377 1.00 0.00 H new ATOM 0 HE ARG A 91 2.487 -0.971 16.366 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.181 0.296 19.646 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.875 -0.009 20.045 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.661 -1.361 16.886 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.273 -0.944 18.490 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.163 -4.617 15.445 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.514 -5.960 15.890 1.00 0.00 C ATOM 1405 C VAL A 92 -0.836 -7.020 15.029 1.00 0.00 C ATOM 1406 O VAL A 92 -0.398 -8.056 15.530 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.038 -6.183 15.853 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.405 -7.482 16.555 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.763 -5.004 16.484 1.00 0.00 C ATOM 0 H VAL A 92 -1.746 -4.257 14.690 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.165 -6.054 16.918 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.352 -6.259 14.812 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.485 -7.623 16.519 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.914 -8.317 16.056 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.079 -7.438 17.594 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.839 -5.178 16.450 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.446 -4.895 17.521 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.525 -4.094 15.934 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.751 -6.753 13.730 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.125 -7.684 12.798 1.00 0.00 C ATOM 1421 C LEU A 93 1.041 -7.023 12.070 1.00 0.00 C ATOM 1422 O LEU A 93 0.955 -5.883 11.614 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.153 -8.190 11.784 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.779 -9.465 11.028 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.856 -10.673 11.949 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.685 -9.655 9.820 1.00 0.00 C ATOM 0 H LEU A 93 -1.107 -5.900 13.299 1.00 0.00 H new ATOM 0 HA LEU A 93 0.259 -8.529 13.369 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.094 -8.364 12.306 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.335 -7.400 11.056 1.00 0.00 H new ATOM 0 HG LEU A 93 0.248 -9.367 10.675 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.587 -11.572 11.394 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.165 -10.540 12.782 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.871 -10.774 12.332 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.404 -10.567 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.721 -9.731 10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.580 -8.803 9.149 1.00 0.00 H new ATOM 1438 N PRO A 94 2.159 -7.756 11.955 1.00 0.00 N ATOM 1439 CA PRO A 94 3.363 -7.263 11.281 1.00 0.00 C ATOM 1440 C PRO A 94 3.173 -7.138 9.773 1.00 0.00 C ATOM 1441 O PRO A 94 2.529 -7.979 9.147 1.00 0.00 O ATOM 1442 CB PRO A 94 4.412 -8.331 11.601 1.00 0.00 C ATOM 1443 CG PRO A 94 3.625 -9.571 11.850 1.00 0.00 C ATOM 1444 CD PRO A 94 2.332 -9.123 12.474 1.00 0.00 C ATOM 0 HA PRO A 94 3.637 -6.263 11.617 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.108 -8.463 10.773 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.004 -8.056 12.474 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.443 -10.111 10.921 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.164 -10.249 12.512 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.502 -9.770 12.188 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.385 -9.136 13.563 1.00 0.00 H new ATOM 1452 N ALA A 95 3.739 -6.083 9.196 1.00 0.00 N ATOM 1453 CA ALA A 95 3.634 -5.849 7.761 1.00 0.00 C ATOM 1454 C ALA A 95 4.270 -6.988 6.971 1.00 0.00 C ATOM 1455 O ALA A 95 5.452 -7.286 7.139 1.00 0.00 O ATOM 1456 CB ALA A 95 4.282 -4.523 7.393 1.00 0.00 C ATOM 0 H ALA A 95 4.275 -5.377 9.700 1.00 0.00 H new ATOM 0 HA ALA A 95 2.576 -5.808 7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.196 -4.362 6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.780 -3.713 7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.335 -4.542 7.674 1.00 0.00 H new ATOM 1462 N GLN A 96 3.478 -7.621 6.112 1.00 0.00 N ATOM 1463 CA GLN A 96 3.965 -8.728 5.298 1.00 0.00 C ATOM 1464 C GLN A 96 4.673 -8.215 4.048 1.00 0.00 C ATOM 1465 O GLN A 96 5.229 -8.994 3.275 1.00 0.00 O ATOM 1466 CB GLN A 96 2.807 -9.646 4.902 1.00 0.00 C ATOM 1467 CG GLN A 96 2.014 -10.171 6.088 1.00 0.00 C ATOM 1468 CD GLN A 96 2.872 -10.948 7.066 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.576 -11.884 6.685 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.820 -10.563 8.336 1.00 0.00 N ATOM 0 H GLN A 96 2.497 -7.386 5.962 1.00 0.00 H new ATOM 0 HA GLN A 96 4.682 -9.295 5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.135 -9.103 4.238 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.201 -10.490 4.336 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.546 -9.334 6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.210 -10.812 5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.223 -9.782 8.608 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.377 -11.048 9.039 1.00 0.00 H new ATOM 1479 N ALA A 97 4.647 -6.900 3.858 1.00 0.00 N ATOM 1480 CA ALA A 97 5.288 -6.283 2.703 1.00 0.00 C ATOM 1481 C ALA A 97 6.690 -6.844 2.488 1.00 0.00 C ATOM 1482 O ALA A 97 7.323 -7.336 3.423 1.00 0.00 O ATOM 1483 CB ALA A 97 5.342 -4.772 2.874 1.00 0.00 C ATOM 0 H ALA A 97 4.189 -6.242 4.489 1.00 0.00 H new ATOM 0 HA ALA A 97 4.693 -6.517 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.823 -4.324 2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.329 -4.380 2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.912 -4.527 3.770 1.00 0.00 H new