USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 811 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 32 CYS SG : rot -52:sc= 0.0722 USER MOD Set 1.2: A 35 CYS SG : rot 73:sc= -0.885 USER MOD Set 2.1: A 8 THR OG1 : rot -35:sc= 1.18 USER MOD Set 2.2: A 11 SER OG : rot 22:sc= 3.03 USER MOD Single : A 6 HIS : no HE2:sc= -0.235 K(o=-0.24,f=-0.95) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0296) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 172:sc=-0.00101 (180deg=-0.106) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.335 X(o=0.34,f=-0.14) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 2.09 K(o=2.1,f=-7.4!) USER MOD Single : A 62 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.08) USER MOD Single : A 63 ASN : amide:sc= 1.35 K(o=1.3,f=-6!) USER MOD Single : A 66 THR OG1 : rot -55:sc= 1.28 USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0.582 (180deg=0.563) USER MOD Single : A 70 TYR OH : rot 180:sc=-0.00037 USER MOD Single : A 77 THR OG1 : rot 118:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= 0.957 (180deg=0.846) USER MOD Single : A 83 ASN : amide:sc= 0.969 K(o=0.97,f=-0.11) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0897 USER MOD Single : A 90 LYS NZ :NH3+ -127:sc= 1.5 (180deg=-0.976) USER MOD Single : A 95 SER OG : rot 180:sc= 0.473 USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= 0.318 (180deg=-0.159) USER MOD Single : A 98 GLN : amide:sc= 0.331 X(o=0.33,f=-0.062) USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 0.741 (180deg=0.741) USER MOD Single : A 106 ASN : amide:sc= 0.296 K(o=0.3,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 -9.633 -2.865 -9.784 1.00 0.00 N ATOM 47 CA ILE A 4 -8.226 -2.978 -9.420 1.00 0.00 C ATOM 48 C ILE A 4 -7.602 -4.233 -10.026 1.00 0.00 C ATOM 49 O ILE A 4 -8.202 -5.307 -10.006 1.00 0.00 O ATOM 50 CB ILE A 4 -8.082 -2.969 -7.890 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.560 -1.609 -7.343 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.632 -3.263 -7.482 1.00 0.00 C ATOM 53 CD1 ILE A 4 -8.212 -1.361 -5.873 1.00 0.00 C ATOM 0 HA ILE A 4 -7.689 -2.121 -9.825 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.703 -3.755 -7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.122 -0.814 -7.947 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.641 -1.542 -7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.551 -3.252 -6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.340 -4.243 -7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.974 -2.502 -7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.585 -0.382 -5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.673 -2.132 -5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.130 -1.392 -5.745 1.00 0.00 H new ATOM 65 N ILE A 5 -6.372 -4.102 -10.528 1.00 0.00 N ATOM 66 CA ILE A 5 -5.616 -5.207 -11.099 1.00 0.00 C ATOM 67 C ILE A 5 -4.828 -5.912 -9.987 1.00 0.00 C ATOM 68 O ILE A 5 -3.831 -5.388 -9.491 1.00 0.00 O ATOM 69 CB ILE A 5 -4.689 -4.688 -12.216 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.418 -3.805 -13.245 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.970 -5.850 -12.917 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.636 -4.461 -13.904 1.00 0.00 C ATOM 0 H ILE A 5 -5.872 -3.213 -10.547 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.295 -5.933 -11.546 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.949 -4.054 -11.728 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.739 -2.887 -12.753 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.711 -3.519 -14.024 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.322 -5.457 -13.701 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.370 -6.398 -12.191 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.707 -6.521 -13.358 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.085 -3.765 -14.613 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.323 -5.363 -14.429 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.367 -4.721 -13.139 1.00 0.00 H new ATOM 84 N HIS A 6 -5.246 -7.111 -9.583 1.00 0.00 N ATOM 85 CA HIS A 6 -4.504 -7.861 -8.577 1.00 0.00 C ATOM 86 C HIS A 6 -3.314 -8.526 -9.268 1.00 0.00 C ATOM 87 O HIS A 6 -3.482 -9.550 -9.927 1.00 0.00 O ATOM 88 CB HIS A 6 -5.406 -8.873 -7.865 1.00 0.00 C ATOM 89 CG HIS A 6 -6.155 -8.265 -6.706 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.014 -8.642 -5.383 1.00 0.00 N ATOM 91 CD2 HIS A 6 -7.014 -7.200 -6.755 1.00 0.00 C ATOM 92 CE1 HIS A 6 -6.798 -7.835 -4.645 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.431 -6.977 -5.461 1.00 0.00 N ATOM 0 H HIS A 6 -6.083 -7.577 -9.933 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.137 -7.192 -7.798 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.120 -9.284 -8.579 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.800 -9.705 -7.505 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -5.423 -9.395 -5.031 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.307 -6.645 -7.634 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.901 -7.872 -3.571 1.00 0.00 H new ATOM 102 N LEU A 7 -2.122 -7.931 -9.157 1.00 0.00 N ATOM 103 CA LEU A 7 -0.940 -8.425 -9.849 1.00 0.00 C ATOM 104 C LEU A 7 -0.257 -9.581 -9.128 1.00 0.00 C ATOM 105 O LEU A 7 -0.397 -9.772 -7.920 1.00 0.00 O ATOM 106 CB LEU A 7 0.085 -7.297 -10.012 1.00 0.00 C ATOM 107 CG LEU A 7 -0.356 -6.198 -10.980 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.579 -5.004 -10.789 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.299 -6.665 -12.437 1.00 0.00 C ATOM 0 H LEU A 7 -1.956 -7.101 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.290 -8.788 -10.815 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.280 -6.852 -9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.026 -7.721 -10.363 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.391 -5.930 -10.766 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.289 -4.202 -11.468 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.512 -4.650 -9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.604 -5.307 -11.003 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.620 -5.855 -13.092 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.722 -6.951 -12.688 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.959 -7.522 -12.570 1.00 0.00 H new ATOM 121 N THR A 8 0.550 -10.295 -9.913 1.00 0.00 N ATOM 122 CA THR A 8 1.434 -11.367 -9.507 1.00 0.00 C ATOM 123 C THR A 8 2.779 -11.124 -10.200 1.00 0.00 C ATOM 124 O THR A 8 2.847 -10.372 -11.179 1.00 0.00 O ATOM 125 CB THR A 8 0.848 -12.727 -9.906 1.00 0.00 C ATOM 126 OG1 THR A 8 0.857 -12.866 -11.316 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.576 -12.926 -9.379 1.00 0.00 C ATOM 0 H THR A 8 0.600 -10.121 -10.917 1.00 0.00 H new ATOM 0 HA THR A 8 1.559 -11.380 -8.424 1.00 0.00 H new ATOM 0 HB THR A 8 1.477 -13.492 -9.452 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.681 -11.996 -11.732 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.945 -13.904 -9.689 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.573 -12.867 -8.291 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.225 -12.149 -9.782 1.00 0.00 H new ATOM 135 N ASP A 9 3.843 -11.773 -9.725 1.00 0.00 N ATOM 136 CA ASP A 9 5.175 -11.655 -10.296 1.00 0.00 C ATOM 137 C ASP A 9 5.147 -12.039 -11.778 1.00 0.00 C ATOM 138 O ASP A 9 5.715 -11.344 -12.616 1.00 0.00 O ATOM 139 CB ASP A 9 6.152 -12.529 -9.506 1.00 0.00 C ATOM 140 CG ASP A 9 7.591 -12.236 -9.919 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.139 -11.238 -9.399 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.119 -13.011 -10.744 1.00 0.00 O ATOM 0 H ASP A 9 3.798 -12.402 -8.923 1.00 0.00 H new ATOM 0 HA ASP A 9 5.514 -10.621 -10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.030 -12.346 -8.438 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.926 -13.582 -9.677 1.00 0.00 H new ATOM 147 N ASP A 10 4.448 -13.134 -12.092 1.00 0.00 N ATOM 148 CA ASP A 10 4.283 -13.632 -13.452 1.00 0.00 C ATOM 149 C ASP A 10 3.691 -12.562 -14.372 1.00 0.00 C ATOM 150 O ASP A 10 4.176 -12.352 -15.480 1.00 0.00 O ATOM 151 CB ASP A 10 3.394 -14.878 -13.430 1.00 0.00 C ATOM 152 CG ASP A 10 3.126 -15.392 -14.841 1.00 0.00 C ATOM 153 OD1 ASP A 10 4.004 -16.115 -15.358 1.00 0.00 O ATOM 154 OD2 ASP A 10 2.048 -15.048 -15.373 1.00 0.00 O ATOM 0 H ASP A 10 3.974 -13.706 -11.393 1.00 0.00 H new ATOM 0 HA ASP A 10 5.264 -13.893 -13.849 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.874 -15.660 -12.841 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.449 -14.644 -12.940 1.00 0.00 H new ATOM 159 N SER A 11 2.643 -11.876 -13.912 1.00 0.00 N ATOM 160 CA SER A 11 1.962 -10.870 -14.716 1.00 0.00 C ATOM 161 C SER A 11 2.751 -9.559 -14.747 1.00 0.00 C ATOM 162 O SER A 11 2.634 -8.788 -15.698 1.00 0.00 O ATOM 163 CB SER A 11 0.569 -10.641 -14.116 1.00 0.00 C ATOM 164 OG SER A 11 0.649 -10.538 -12.703 1.00 0.00 O ATOM 0 H SER A 11 2.248 -12.003 -12.980 1.00 0.00 H new ATOM 0 HA SER A 11 1.879 -11.221 -15.744 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.133 -9.731 -14.529 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.092 -11.464 -14.390 1.00 0.00 H new ATOM 0 HG SER A 11 1.561 -10.289 -12.444 1.00 0.00 H new ATOM 170 N PHE A 12 3.538 -9.299 -13.699 1.00 0.00 N ATOM 171 CA PHE A 12 4.331 -8.091 -13.523 1.00 0.00 C ATOM 172 C PHE A 12 5.037 -7.633 -14.801 1.00 0.00 C ATOM 173 O PHE A 12 4.990 -6.455 -15.149 1.00 0.00 O ATOM 174 CB PHE A 12 5.343 -8.317 -12.398 1.00 0.00 C ATOM 175 CG PHE A 12 5.821 -7.037 -11.764 1.00 0.00 C ATOM 176 CD1 PHE A 12 5.026 -6.424 -10.783 1.00 0.00 C ATOM 177 CD2 PHE A 12 7.020 -6.435 -12.179 1.00 0.00 C ATOM 178 CE1 PHE A 12 5.464 -5.248 -10.160 1.00 0.00 C ATOM 179 CE2 PHE A 12 7.427 -5.225 -11.597 1.00 0.00 C ATOM 180 CZ PHE A 12 6.671 -4.651 -10.563 1.00 0.00 C ATOM 0 H PHE A 12 3.640 -9.953 -12.923 1.00 0.00 H new ATOM 0 HA PHE A 12 3.645 -7.286 -13.261 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.891 -8.947 -11.632 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.201 -8.861 -12.793 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.076 -6.859 -10.508 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.626 -6.901 -12.942 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.876 -4.801 -9.372 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.324 -4.734 -11.945 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.017 -3.751 -10.077 1.00 0.00 H new ATOM 190 N ASP A 13 5.687 -8.559 -15.507 1.00 0.00 N ATOM 191 CA ASP A 13 6.382 -8.248 -16.749 1.00 0.00 C ATOM 192 C ASP A 13 5.467 -7.502 -17.726 1.00 0.00 C ATOM 193 O ASP A 13 5.714 -6.358 -18.103 1.00 0.00 O ATOM 194 CB ASP A 13 6.902 -9.545 -17.386 1.00 0.00 C ATOM 195 CG ASP A 13 7.337 -9.322 -18.833 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.450 -8.784 -19.016 1.00 0.00 O ATOM 197 OD2 ASP A 13 6.532 -9.666 -19.728 1.00 0.00 O ATOM 0 H ASP A 13 5.744 -9.540 -15.233 1.00 0.00 H new ATOM 0 HA ASP A 13 7.224 -7.594 -16.520 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.743 -9.925 -16.806 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.123 -10.306 -17.352 1.00 0.00 H new ATOM 202 N THR A 14 4.421 -8.192 -18.169 1.00 0.00 N ATOM 203 CA THR A 14 3.515 -7.706 -19.186 1.00 0.00 C ATOM 204 C THR A 14 2.673 -6.533 -18.692 1.00 0.00 C ATOM 205 O THR A 14 2.432 -5.585 -19.433 1.00 0.00 O ATOM 206 CB THR A 14 2.661 -8.891 -19.653 1.00 0.00 C ATOM 207 OG1 THR A 14 3.469 -10.057 -19.677 1.00 0.00 O ATOM 208 CG2 THR A 14 2.077 -8.653 -21.047 1.00 0.00 C ATOM 0 H THR A 14 4.181 -9.120 -17.821 1.00 0.00 H new ATOM 0 HA THR A 14 4.078 -7.308 -20.030 1.00 0.00 H new ATOM 0 HB THR A 14 1.830 -9.010 -18.957 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.932 -10.821 -19.973 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.478 -9.515 -21.343 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.448 -7.763 -21.031 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.888 -8.512 -21.762 1.00 0.00 H new ATOM 216 N ASP A 15 2.203 -6.600 -17.449 1.00 0.00 N ATOM 217 CA ASP A 15 1.351 -5.561 -16.900 1.00 0.00 C ATOM 218 C ASP A 15 2.152 -4.321 -16.515 1.00 0.00 C ATOM 219 O ASP A 15 1.817 -3.219 -16.936 1.00 0.00 O ATOM 220 CB ASP A 15 0.590 -6.088 -15.679 1.00 0.00 C ATOM 221 CG ASP A 15 -0.512 -7.080 -16.043 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.167 -8.152 -16.587 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.683 -6.756 -15.752 1.00 0.00 O ATOM 0 H ASP A 15 2.401 -7.366 -16.806 1.00 0.00 H new ATOM 0 HA ASP A 15 0.640 -5.276 -17.675 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.294 -6.569 -14.999 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.151 -5.248 -15.141 1.00 0.00 H new ATOM 228 N VAL A 16 3.173 -4.490 -15.671 1.00 0.00 N ATOM 229 CA VAL A 16 3.931 -3.387 -15.100 1.00 0.00 C ATOM 230 C VAL A 16 5.154 -3.011 -15.929 1.00 0.00 C ATOM 231 O VAL A 16 5.334 -1.842 -16.266 1.00 0.00 O ATOM 232 CB VAL A 16 4.307 -3.697 -13.640 1.00 0.00 C ATOM 233 CG1 VAL A 16 5.011 -2.497 -13.004 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.051 -4.006 -12.822 1.00 0.00 C ATOM 0 H VAL A 16 3.496 -5.408 -15.365 1.00 0.00 H new ATOM 0 HA VAL A 16 3.284 -2.510 -15.115 1.00 0.00 H new ATOM 0 HB VAL A 16 4.973 -4.560 -13.642 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.270 -2.732 -11.972 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.918 -2.269 -13.563 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.347 -1.633 -13.023 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.332 -4.223 -11.792 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.383 -3.145 -12.842 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.542 -4.870 -13.249 1.00 0.00 H new ATOM 244 N LEU A 17 6.030 -3.963 -16.249 1.00 0.00 N ATOM 245 CA LEU A 17 7.244 -3.592 -16.973 1.00 0.00 C ATOM 246 C LEU A 17 6.917 -3.092 -18.377 1.00 0.00 C ATOM 247 O LEU A 17 7.511 -2.118 -18.831 1.00 0.00 O ATOM 248 CB LEU A 17 8.328 -4.667 -16.868 1.00 0.00 C ATOM 249 CG LEU A 17 8.667 -4.931 -15.387 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.814 -5.935 -15.261 1.00 0.00 C ATOM 251 CD2 LEU A 17 9.074 -3.647 -14.649 1.00 0.00 C ATOM 0 H LEU A 17 5.931 -4.954 -16.030 1.00 0.00 H new ATOM 0 HA LEU A 17 7.704 -2.732 -16.486 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.986 -5.588 -17.341 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.222 -4.347 -17.403 1.00 0.00 H new ATOM 0 HG LEU A 17 7.760 -5.331 -14.934 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.035 -6.105 -14.207 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.526 -6.877 -15.728 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.700 -5.540 -15.758 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.304 -3.882 -13.610 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.954 -3.216 -15.127 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.254 -2.930 -14.686 1.00 0.00 H new ATOM 263 N LYS A 18 5.922 -3.685 -19.037 1.00 0.00 N ATOM 264 CA LYS A 18 5.443 -3.183 -20.321 1.00 0.00 C ATOM 265 C LYS A 18 4.250 -2.228 -20.104 1.00 0.00 C ATOM 266 O LYS A 18 3.338 -2.169 -20.928 1.00 0.00 O ATOM 267 CB LYS A 18 5.136 -4.359 -21.254 1.00 0.00 C ATOM 268 CG LYS A 18 6.394 -5.200 -21.495 1.00 0.00 C ATOM 269 CD LYS A 18 6.097 -6.361 -22.453 1.00 0.00 C ATOM 270 CE LYS A 18 7.278 -7.337 -22.536 1.00 0.00 C ATOM 271 NZ LYS A 18 8.498 -6.686 -23.045 1.00 0.00 N ATOM 0 H LYS A 18 5.433 -4.515 -18.701 1.00 0.00 H new ATOM 0 HA LYS A 18 6.216 -2.593 -20.814 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.354 -4.981 -20.818 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.754 -3.986 -22.204 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.183 -4.572 -21.910 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.763 -5.590 -20.547 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.207 -6.893 -22.117 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.878 -5.968 -23.446 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.475 -7.753 -21.548 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.014 -8.171 -23.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.257 -7.392 -23.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.305 -6.267 -23.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.795 -5.939 -22.384 1.00 0.00 H new ATOM 285 N ALA A 19 4.243 -1.471 -18.996 1.00 0.00 N ATOM 286 CA ALA A 19 3.166 -0.547 -18.662 1.00 0.00 C ATOM 287 C ALA A 19 3.098 0.659 -19.596 1.00 0.00 C ATOM 288 O ALA A 19 3.550 1.748 -19.239 1.00 0.00 O ATOM 289 CB ALA A 19 3.310 -0.044 -17.224 1.00 0.00 C ATOM 0 H ALA A 19 4.994 -1.488 -18.306 1.00 0.00 H new ATOM 0 HA ALA A 19 2.243 -1.115 -18.778 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.496 0.644 -16.996 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.273 -0.890 -16.537 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.263 0.472 -17.113 1.00 0.00 H new ATOM 295 N ASP A 20 2.485 0.497 -20.769 1.00 0.00 N ATOM 296 CA ASP A 20 2.251 1.598 -21.696 1.00 0.00 C ATOM 297 C ASP A 20 1.061 2.429 -21.193 1.00 0.00 C ATOM 298 O ASP A 20 0.014 2.503 -21.830 1.00 0.00 O ATOM 299 CB ASP A 20 2.026 1.043 -23.104 1.00 0.00 C ATOM 300 CG ASP A 20 1.800 2.140 -24.144 1.00 0.00 C ATOM 301 OD1 ASP A 20 2.367 3.239 -23.956 1.00 0.00 O ATOM 302 OD2 ASP A 20 1.078 1.852 -25.123 1.00 0.00 O ATOM 0 H ASP A 20 2.138 -0.403 -21.101 1.00 0.00 H new ATOM 0 HA ASP A 20 3.119 2.256 -21.745 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.889 0.444 -23.396 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.164 0.376 -23.093 1.00 0.00 H new ATOM 307 N GLY A 21 1.228 3.022 -20.012 1.00 0.00 N ATOM 308 CA GLY A 21 0.243 3.814 -19.297 1.00 0.00 C ATOM 309 C GLY A 21 0.691 3.943 -17.841 1.00 0.00 C ATOM 310 O GLY A 21 1.706 3.361 -17.458 1.00 0.00 O ATOM 0 H GLY A 21 2.109 2.955 -19.503 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.146 4.799 -19.752 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.737 3.340 -19.352 1.00 0.00 H new ATOM 314 N ALA A 22 -0.051 4.702 -17.030 1.00 0.00 N ATOM 315 CA ALA A 22 0.257 4.911 -15.621 1.00 0.00 C ATOM 316 C ALA A 22 -0.391 3.812 -14.777 1.00 0.00 C ATOM 317 O ALA A 22 -1.607 3.622 -14.846 1.00 0.00 O ATOM 318 CB ALA A 22 -0.236 6.298 -15.198 1.00 0.00 C ATOM 0 H ALA A 22 -0.890 5.192 -17.341 1.00 0.00 H new ATOM 0 HA ALA A 22 1.335 4.862 -15.465 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.008 6.459 -14.144 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.262 7.060 -15.798 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.313 6.363 -15.350 1.00 0.00 H new ATOM 324 N ILE A 23 0.411 3.087 -13.989 1.00 0.00 N ATOM 325 CA ILE A 23 -0.039 1.999 -13.137 1.00 0.00 C ATOM 326 C ILE A 23 0.421 2.240 -11.700 1.00 0.00 C ATOM 327 O ILE A 23 1.622 2.303 -11.441 1.00 0.00 O ATOM 328 CB ILE A 23 0.471 0.654 -13.679 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.182 0.524 -15.186 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.110 -0.506 -12.859 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.280 -0.913 -15.696 1.00 0.00 C ATOM 0 H ILE A 23 1.416 3.251 -13.930 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.128 1.963 -13.139 1.00 0.00 H new ATOM 0 HB ILE A 23 1.555 0.612 -13.568 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.817 0.909 -15.392 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.884 1.148 -15.739 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.260 -1.452 -13.254 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.195 -0.404 -11.818 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.198 -0.487 -12.922 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.065 -0.935 -16.764 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.286 -1.294 -15.520 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.441 -1.537 -15.168 1.00 0.00 H new ATOM 343 N LEU A 24 -0.523 2.329 -10.759 1.00 0.00 N ATOM 344 CA LEU A 24 -0.228 2.485 -9.340 1.00 0.00 C ATOM 345 C LEU A 24 -0.174 1.084 -8.741 1.00 0.00 C ATOM 346 O LEU A 24 -1.210 0.508 -8.412 1.00 0.00 O ATOM 347 CB LEU A 24 -1.284 3.370 -8.665 1.00 0.00 C ATOM 348 CG LEU A 24 -1.015 3.607 -7.167 1.00 0.00 C ATOM 349 CD1 LEU A 24 0.081 4.663 -6.974 1.00 0.00 C ATOM 350 CD2 LEU A 24 -2.295 4.054 -6.457 1.00 0.00 C ATOM 0 H LEU A 24 -1.521 2.294 -10.967 1.00 0.00 H new ATOM 0 HA LEU A 24 0.727 2.986 -9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.322 4.332 -9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.264 2.907 -8.782 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.678 2.667 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.256 4.816 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.002 4.323 -7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.235 5.602 -7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.087 4.217 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.654 4.982 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.058 3.282 -6.562 1.00 0.00 H new ATOM 362 N VAL A 25 1.035 0.542 -8.613 1.00 0.00 N ATOM 363 CA VAL A 25 1.271 -0.783 -8.073 1.00 0.00 C ATOM 364 C VAL A 25 1.378 -0.687 -6.553 1.00 0.00 C ATOM 365 O VAL A 25 2.403 -0.262 -6.024 1.00 0.00 O ATOM 366 CB VAL A 25 2.537 -1.390 -8.694 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.724 -2.827 -8.195 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.455 -1.411 -10.226 1.00 0.00 C ATOM 0 H VAL A 25 1.890 1.025 -8.889 1.00 0.00 H new ATOM 0 HA VAL A 25 0.440 -1.443 -8.321 1.00 0.00 H new ATOM 0 HB VAL A 25 3.381 -0.769 -8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.624 -3.252 -8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.821 -2.825 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.860 -3.427 -8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.367 -1.847 -10.633 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.598 -2.008 -10.536 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.342 -0.393 -10.598 1.00 0.00 H new ATOM 378 N ASP A 26 0.321 -1.098 -5.854 1.00 0.00 N ATOM 379 CA ASP A 26 0.261 -1.123 -4.404 1.00 0.00 C ATOM 380 C ASP A 26 0.640 -2.522 -3.928 1.00 0.00 C ATOM 381 O ASP A 26 -0.164 -3.443 -4.057 1.00 0.00 O ATOM 382 CB ASP A 26 -1.153 -0.752 -3.947 1.00 0.00 C ATOM 383 CG ASP A 26 -1.368 -1.081 -2.479 1.00 0.00 C ATOM 384 OD1 ASP A 26 -1.238 -0.212 -1.628 1.00 0.00 O ATOM 385 OD2 ASP A 26 -1.715 -2.356 -2.163 1.00 0.00 O ATOM 0 H ASP A 26 -0.536 -1.430 -6.297 1.00 0.00 H new ATOM 0 HA ASP A 26 0.957 -0.401 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.322 0.312 -4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.884 -1.288 -4.552 1.00 0.00 H new ATOM 391 N PHE A 27 1.818 -2.681 -3.337 1.00 0.00 N ATOM 392 CA PHE A 27 2.261 -3.951 -2.784 1.00 0.00 C ATOM 393 C PHE A 27 1.585 -4.113 -1.416 1.00 0.00 C ATOM 394 O PHE A 27 1.635 -3.177 -0.617 1.00 0.00 O ATOM 395 CB PHE A 27 3.792 -3.967 -2.687 1.00 0.00 C ATOM 396 CG PHE A 27 4.522 -4.006 -4.023 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.533 -2.881 -4.873 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.283 -5.138 -4.372 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.250 -2.915 -6.082 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.018 -5.159 -5.569 1.00 0.00 C ATOM 401 CZ PHE A 27 5.989 -4.055 -6.435 1.00 0.00 C ATOM 0 H PHE A 27 2.496 -1.926 -3.228 1.00 0.00 H new ATOM 0 HA PHE A 27 1.981 -4.790 -3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.115 -3.082 -2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.095 -4.834 -2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.989 -1.991 -4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.302 -5.995 -3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.232 -2.060 -6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.607 -6.028 -5.824 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.532 -4.082 -7.368 1.00 0.00 H new ATOM 411 N TRP A 28 0.936 -5.260 -1.163 1.00 0.00 N ATOM 412 CA TRP A 28 0.177 -5.526 0.061 1.00 0.00 C ATOM 413 C TRP A 28 0.297 -6.980 0.530 1.00 0.00 C ATOM 414 O TRP A 28 0.852 -7.825 -0.174 1.00 0.00 O ATOM 415 CB TRP A 28 -1.305 -5.216 -0.194 1.00 0.00 C ATOM 416 CG TRP A 28 -2.022 -6.147 -1.124 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.900 -6.171 -2.466 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.965 -7.209 -0.794 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.676 -7.186 -2.992 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.366 -7.854 -2.001 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.528 -7.688 0.408 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.272 -8.925 -2.012 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.444 -8.754 0.407 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.813 -9.377 -0.797 1.00 0.00 C ATOM 0 H TRP A 28 0.926 -6.041 -1.819 1.00 0.00 H new ATOM 0 HA TRP A 28 0.592 -4.890 0.843 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.826 -5.219 0.763 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.380 -4.205 -0.595 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.286 -5.497 -3.045 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.732 -7.412 -3.985 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.250 -7.228 1.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.550 -9.396 -2.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.868 -9.097 1.339 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.511 -10.201 -0.788 1.00 0.00 H new ATOM 435 N ALA A 29 -0.273 -7.268 1.706 1.00 0.00 N ATOM 436 CA ALA A 29 -0.347 -8.590 2.315 1.00 0.00 C ATOM 437 C ALA A 29 -1.539 -8.614 3.269 1.00 0.00 C ATOM 438 O ALA A 29 -1.809 -7.602 3.914 1.00 0.00 O ATOM 439 CB ALA A 29 0.923 -8.878 3.110 1.00 0.00 C ATOM 0 H ALA A 29 -0.713 -6.549 2.280 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.457 -9.343 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.854 -9.869 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.785 -8.841 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.038 -8.131 3.895 1.00 0.00 H new ATOM 445 N GLU A 30 -2.238 -9.750 3.374 1.00 0.00 N ATOM 446 CA GLU A 30 -3.413 -9.905 4.227 1.00 0.00 C ATOM 447 C GLU A 30 -3.153 -9.417 5.655 1.00 0.00 C ATOM 448 O GLU A 30 -3.947 -8.671 6.221 1.00 0.00 O ATOM 449 CB GLU A 30 -3.886 -11.370 4.272 1.00 0.00 C ATOM 450 CG GLU A 30 -4.184 -12.008 2.907 1.00 0.00 C ATOM 451 CD GLU A 30 -2.964 -12.704 2.313 1.00 0.00 C ATOM 452 OE1 GLU A 30 -2.129 -11.976 1.735 1.00 0.00 O ATOM 453 OE2 GLU A 30 -2.881 -13.942 2.454 1.00 0.00 O ATOM 0 H GLU A 30 -1.997 -10.597 2.860 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.195 -9.288 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.123 -11.965 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.786 -11.425 4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.994 -12.729 3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.532 -11.239 2.217 1.00 0.00 H new ATOM 460 N TRP A 31 -2.043 -9.866 6.244 1.00 0.00 N ATOM 461 CA TRP A 31 -1.674 -9.532 7.612 1.00 0.00 C ATOM 462 C TRP A 31 -1.342 -8.047 7.793 1.00 0.00 C ATOM 463 O TRP A 31 -1.407 -7.535 8.910 1.00 0.00 O ATOM 464 CB TRP A 31 -0.492 -10.409 8.048 1.00 0.00 C ATOM 465 CG TRP A 31 0.726 -10.345 7.172 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.046 -11.246 6.218 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.780 -9.332 7.132 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.195 -10.850 5.570 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.692 -9.674 6.088 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.058 -8.155 7.860 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.804 -8.879 5.769 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.167 -7.348 7.546 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.038 -7.705 6.502 1.00 0.00 C ATOM 0 H TRP A 31 -1.372 -10.476 5.777 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.538 -9.730 8.246 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.205 -10.122 9.060 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.830 -11.444 8.094 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.485 -12.142 5.997 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.625 -11.364 4.801 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.407 -7.869 8.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.471 -9.167 4.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.351 -6.447 8.112 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.885 -7.078 6.265 1.00 0.00 H new ATOM 484 N CYS A 32 -0.969 -7.339 6.722 1.00 0.00 N ATOM 485 CA CYS A 32 -0.564 -5.946 6.830 1.00 0.00 C ATOM 486 C CYS A 32 -1.777 -5.023 6.923 1.00 0.00 C ATOM 487 O CYS A 32 -2.053 -4.263 5.995 1.00 0.00 O ATOM 488 CB CYS A 32 0.362 -5.580 5.672 1.00 0.00 C ATOM 489 SG CYS A 32 0.980 -3.902 5.947 1.00 0.00 S ATOM 0 H CYS A 32 -0.941 -7.713 5.774 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.005 -5.810 7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.191 -6.285 5.612 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.174 -5.637 4.725 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.021 -3.102 6.168 1.00 0.00 H new ATOM 495 N GLY A 33 -2.476 -5.090 8.061 1.00 0.00 N ATOM 496 CA GLY A 33 -3.667 -4.327 8.436 1.00 0.00 C ATOM 497 C GLY A 33 -3.949 -3.071 7.600 1.00 0.00 C ATOM 498 O GLY A 33 -4.958 -3.042 6.898 1.00 0.00 O ATOM 0 H GLY A 33 -2.199 -5.733 8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.533 -4.986 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.571 -4.031 9.481 1.00 0.00 H new ATOM 502 N PRO A 34 -3.089 -2.035 7.654 1.00 0.00 N ATOM 503 CA PRO A 34 -3.247 -0.787 6.909 1.00 0.00 C ATOM 504 C PRO A 34 -3.665 -0.949 5.442 1.00 0.00 C ATOM 505 O PRO A 34 -4.389 -0.107 4.914 1.00 0.00 O ATOM 506 CB PRO A 34 -1.909 -0.061 7.044 1.00 0.00 C ATOM 507 CG PRO A 34 -1.425 -0.518 8.419 1.00 0.00 C ATOM 508 CD PRO A 34 -1.884 -1.976 8.470 1.00 0.00 C ATOM 0 HA PRO A 34 -4.079 -0.221 7.328 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.213 -0.342 6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.027 1.021 6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.343 -0.431 8.517 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.867 0.074 9.221 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.114 -2.643 8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.088 -2.287 9.494 1.00 0.00 H new ATOM 516 N CYS A 35 -3.258 -2.040 4.785 1.00 0.00 N ATOM 517 CA CYS A 35 -3.651 -2.334 3.410 1.00 0.00 C ATOM 518 C CYS A 35 -5.176 -2.294 3.286 1.00 0.00 C ATOM 519 O CYS A 35 -5.721 -1.738 2.335 1.00 0.00 O ATOM 520 CB CYS A 35 -3.127 -3.706 2.962 1.00 0.00 C ATOM 521 SG CYS A 35 -1.319 -3.699 2.882 1.00 0.00 S ATOM 0 H CYS A 35 -2.645 -2.744 5.196 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.212 -1.576 2.762 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.463 -4.475 3.658 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.539 -3.958 1.985 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.831 -3.691 4.087 1.00 0.00 H new ATOM 527 N LYS A 36 -5.875 -2.851 4.279 1.00 0.00 N ATOM 528 CA LYS A 36 -7.328 -2.871 4.329 1.00 0.00 C ATOM 529 C LYS A 36 -7.894 -1.461 4.519 1.00 0.00 C ATOM 530 O LYS A 36 -9.003 -1.183 4.074 1.00 0.00 O ATOM 531 CB LYS A 36 -7.805 -3.798 5.453 1.00 0.00 C ATOM 532 CG LYS A 36 -7.209 -5.207 5.340 1.00 0.00 C ATOM 533 CD LYS A 36 -7.811 -6.121 6.414 1.00 0.00 C ATOM 534 CE LYS A 36 -7.121 -7.488 6.386 1.00 0.00 C ATOM 535 NZ LYS A 36 -7.688 -8.401 7.393 1.00 0.00 N ATOM 0 H LYS A 36 -5.435 -3.306 5.079 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.697 -3.253 3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.532 -3.367 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.893 -3.863 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.408 -5.616 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.126 -5.163 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.694 -5.666 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.881 -6.241 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.225 -7.929 5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.054 -7.362 6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.198 -9.317 7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.566 -7.991 8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.701 -8.541 7.204 1.00 0.00 H new ATOM 549 N MET A 37 -7.138 -0.566 5.163 1.00 0.00 N ATOM 550 CA MET A 37 -7.560 0.809 5.385 1.00 0.00 C ATOM 551 C MET A 37 -7.447 1.587 4.075 1.00 0.00 C ATOM 552 O MET A 37 -8.369 2.315 3.712 1.00 0.00 O ATOM 553 CB MET A 37 -6.753 1.461 6.516 1.00 0.00 C ATOM 554 CG MET A 37 -6.908 0.700 7.841 1.00 0.00 C ATOM 555 SD MET A 37 -5.887 1.294 9.217 1.00 0.00 S ATOM 556 CE MET A 37 -6.497 2.985 9.401 1.00 0.00 C ATOM 0 H MET A 37 -6.216 -0.781 5.543 1.00 0.00 H new ATOM 0 HA MET A 37 -8.602 0.822 5.705 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.700 1.495 6.238 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.081 2.492 6.649 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.954 0.745 8.144 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.672 -0.350 7.665 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.067 3.431 10.297 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.209 3.572 8.529 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.583 2.972 9.488 1.00 0.00 H new ATOM 566 N ILE A 38 -6.335 1.432 3.348 1.00 0.00 N ATOM 567 CA ILE A 38 -6.188 2.113 2.063 1.00 0.00 C ATOM 568 C ILE A 38 -7.040 1.457 0.967 1.00 0.00 C ATOM 569 O ILE A 38 -7.428 2.147 0.033 1.00 0.00 O ATOM 570 CB ILE A 38 -4.725 2.303 1.630 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.997 0.963 1.511 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.972 3.255 2.573 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.701 1.090 0.718 1.00 0.00 C ATOM 0 H ILE A 38 -5.541 0.853 3.622 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.576 3.120 2.215 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.742 2.763 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.777 0.579 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.650 0.237 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.942 3.364 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.459 4.230 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.980 2.847 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.215 0.116 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.923 1.448 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.037 1.796 1.217 1.00 0.00 H new ATOM 585 N ALA A 39 -7.334 0.151 1.041 1.00 0.00 N ATOM 586 CA ALA A 39 -8.147 -0.563 0.050 1.00 0.00 C ATOM 587 C ALA A 39 -9.336 0.253 -0.503 1.00 0.00 C ATOM 588 O ALA A 39 -9.377 0.484 -1.712 1.00 0.00 O ATOM 589 CB ALA A 39 -8.574 -1.935 0.581 1.00 0.00 C ATOM 0 H ALA A 39 -7.009 -0.446 1.802 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.503 -0.719 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.176 -2.445 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.689 -2.531 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.162 -1.807 1.490 1.00 0.00 H new ATOM 595 N PRO A 40 -10.294 0.717 0.323 1.00 0.00 N ATOM 596 CA PRO A 40 -11.402 1.533 -0.155 1.00 0.00 C ATOM 597 C PRO A 40 -10.904 2.782 -0.887 1.00 0.00 C ATOM 598 O PRO A 40 -11.444 3.135 -1.932 1.00 0.00 O ATOM 599 CB PRO A 40 -12.248 1.884 1.072 1.00 0.00 C ATOM 600 CG PRO A 40 -11.288 1.684 2.242 1.00 0.00 C ATOM 601 CD PRO A 40 -10.403 0.538 1.760 1.00 0.00 C ATOM 0 HA PRO A 40 -12.000 0.989 -0.886 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.615 2.909 1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.121 1.237 1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.708 2.584 2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.817 1.428 3.160 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.423 0.571 2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.844 -0.429 2.004 1.00 0.00 H new ATOM 609 N ILE A 41 -9.849 3.427 -0.384 1.00 0.00 N ATOM 610 CA ILE A 41 -9.265 4.591 -1.038 1.00 0.00 C ATOM 611 C ILE A 41 -8.812 4.174 -2.439 1.00 0.00 C ATOM 612 O ILE A 41 -9.178 4.810 -3.424 1.00 0.00 O ATOM 613 CB ILE A 41 -8.109 5.201 -0.220 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.491 5.382 1.261 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.721 6.549 -0.837 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.357 6.005 2.080 1.00 0.00 C ATOM 0 H ILE A 41 -9.382 3.157 0.481 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.016 5.378 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.262 4.516 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.377 6.013 1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.755 4.414 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.904 6.989 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.403 6.399 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.580 7.219 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.674 6.113 3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.479 5.361 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.110 6.985 1.673 1.00 0.00 H new ATOM 628 N LEU A 42 -8.044 3.085 -2.538 1.00 0.00 N ATOM 629 CA LEU A 42 -7.582 2.562 -3.816 1.00 0.00 C ATOM 630 C LEU A 42 -8.777 2.294 -4.737 1.00 0.00 C ATOM 631 O LEU A 42 -8.714 2.624 -5.916 1.00 0.00 O ATOM 632 CB LEU A 42 -6.691 1.322 -3.623 1.00 0.00 C ATOM 633 CG LEU A 42 -5.321 1.644 -3.003 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.708 0.340 -2.490 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.359 2.267 -4.023 1.00 0.00 C ATOM 0 H LEU A 42 -7.728 2.545 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.957 3.312 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.211 0.606 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.540 0.839 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.471 2.364 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.734 0.546 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.364 -0.100 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.588 -0.357 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.404 2.478 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.203 1.572 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.785 3.195 -4.406 1.00 0.00 H new ATOM 647 N ASP A 43 -9.874 1.735 -4.215 1.00 0.00 N ATOM 648 CA ASP A 43 -11.076 1.502 -5.015 1.00 0.00 C ATOM 649 C ASP A 43 -11.638 2.826 -5.542 1.00 0.00 C ATOM 650 O ASP A 43 -11.929 2.959 -6.732 1.00 0.00 O ATOM 651 CB ASP A 43 -12.150 0.757 -4.211 1.00 0.00 C ATOM 652 CG ASP A 43 -11.726 -0.649 -3.809 1.00 0.00 C ATOM 653 OD1 ASP A 43 -11.291 -1.393 -4.712 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.878 -0.982 -2.614 1.00 0.00 O ATOM 0 H ASP A 43 -9.952 1.437 -3.243 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.791 0.876 -5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.386 1.329 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -13.064 0.700 -4.802 1.00 0.00 H new ATOM 659 N GLU A 44 -11.780 3.818 -4.659 1.00 0.00 N ATOM 660 CA GLU A 44 -12.284 5.133 -5.034 1.00 0.00 C ATOM 661 C GLU A 44 -11.416 5.698 -6.156 1.00 0.00 C ATOM 662 O GLU A 44 -11.928 6.084 -7.204 1.00 0.00 O ATOM 663 CB GLU A 44 -12.319 6.065 -3.816 1.00 0.00 C ATOM 664 CG GLU A 44 -13.376 5.634 -2.793 1.00 0.00 C ATOM 665 CD GLU A 44 -13.164 6.328 -1.450 1.00 0.00 C ATOM 666 OE1 GLU A 44 -13.407 7.553 -1.405 1.00 0.00 O ATOM 667 OE2 GLU A 44 -12.754 5.630 -0.498 1.00 0.00 O ATOM 0 H GLU A 44 -11.549 3.729 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.308 5.047 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.338 6.077 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.527 7.083 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.370 5.869 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.334 4.553 -2.657 1.00 0.00 H new ATOM 674 N ILE A 45 -10.097 5.705 -5.953 1.00 0.00 N ATOM 675 CA ILE A 45 -9.137 6.164 -6.945 1.00 0.00 C ATOM 676 C ILE A 45 -9.323 5.389 -8.253 1.00 0.00 C ATOM 677 O ILE A 45 -9.363 5.995 -9.322 1.00 0.00 O ATOM 678 CB ILE A 45 -7.713 6.035 -6.384 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.473 6.969 -5.183 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.634 6.250 -7.453 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.511 8.470 -5.474 1.00 0.00 C ATOM 0 H ILE A 45 -9.666 5.388 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.307 7.217 -7.170 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.629 5.006 -6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.223 6.749 -4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.501 6.729 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.648 6.147 -7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.750 5.507 -8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.736 7.249 -7.877 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.329 9.024 -4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.742 8.718 -6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.490 8.739 -5.872 1.00 0.00 H new ATOM 693 N ALA A 46 -9.438 4.059 -8.180 1.00 0.00 N ATOM 694 CA ALA A 46 -9.622 3.209 -9.348 1.00 0.00 C ATOM 695 C ALA A 46 -10.820 3.675 -10.166 1.00 0.00 C ATOM 696 O ALA A 46 -10.757 3.693 -11.392 1.00 0.00 O ATOM 697 CB ALA A 46 -9.762 1.741 -8.939 1.00 0.00 C ATOM 0 H ALA A 46 -9.405 3.544 -7.300 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.735 3.291 -9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.898 1.127 -9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.862 1.423 -8.413 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.625 1.627 -8.284 1.00 0.00 H new ATOM 703 N ASP A 47 -11.907 4.066 -9.496 1.00 0.00 N ATOM 704 CA ASP A 47 -13.075 4.591 -10.181 1.00 0.00 C ATOM 705 C ASP A 47 -12.782 5.995 -10.729 1.00 0.00 C ATOM 706 O ASP A 47 -12.878 6.230 -11.932 1.00 0.00 O ATOM 707 CB ASP A 47 -14.279 4.589 -9.233 1.00 0.00 C ATOM 708 CG ASP A 47 -15.519 5.110 -9.946 1.00 0.00 C ATOM 709 OD1 ASP A 47 -16.088 4.324 -10.734 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.869 6.284 -9.699 1.00 0.00 O ATOM 0 H ASP A 47 -11.996 4.026 -8.481 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.317 3.952 -11.030 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.460 3.578 -8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.065 5.209 -8.363 1.00 0.00 H new ATOM 715 N GLU A 48 -12.418 6.927 -9.842 1.00 0.00 N ATOM 716 CA GLU A 48 -12.139 8.325 -10.162 1.00 0.00 C ATOM 717 C GLU A 48 -11.213 8.487 -11.373 1.00 0.00 C ATOM 718 O GLU A 48 -11.489 9.294 -12.259 1.00 0.00 O ATOM 719 CB GLU A 48 -11.523 9.021 -8.942 1.00 0.00 C ATOM 720 CG GLU A 48 -12.520 9.246 -7.798 1.00 0.00 C ATOM 721 CD GLU A 48 -11.801 9.747 -6.549 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.263 8.886 -5.821 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.781 10.981 -6.346 1.00 0.00 O ATOM 0 H GLU A 48 -12.307 6.719 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.090 8.789 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.689 8.422 -8.575 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.113 9.983 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.275 9.970 -8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.042 8.315 -7.575 1.00 0.00 H new ATOM 730 N TYR A 49 -10.105 7.746 -11.394 1.00 0.00 N ATOM 731 CA TYR A 49 -9.106 7.814 -12.453 1.00 0.00 C ATOM 732 C TYR A 49 -9.234 6.631 -13.422 1.00 0.00 C ATOM 733 O TYR A 49 -8.263 6.296 -14.103 1.00 0.00 O ATOM 734 CB TYR A 49 -7.698 7.870 -11.834 1.00 0.00 C ATOM 735 CG TYR A 49 -7.381 9.088 -10.983 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.856 9.165 -9.662 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.489 10.073 -11.454 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.462 10.219 -8.823 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.066 11.110 -10.603 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.542 11.175 -9.283 1.00 0.00 C ATOM 741 OH TYR A 49 -6.103 12.148 -8.434 1.00 0.00 O ATOM 0 H TYR A 49 -9.876 7.072 -10.663 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.276 8.722 -13.031 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.559 6.980 -11.221 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.968 7.818 -12.642 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.529 8.407 -9.290 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.129 10.031 -12.471 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.866 10.295 -7.824 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.375 11.857 -10.965 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.470 12.730 -8.903 1.00 0.00 H new ATOM 751 N GLN A 50 -10.403 5.985 -13.506 1.00 0.00 N ATOM 752 CA GLN A 50 -10.567 4.837 -14.390 1.00 0.00 C ATOM 753 C GLN A 50 -10.163 5.194 -15.822 1.00 0.00 C ATOM 754 O GLN A 50 -10.552 6.236 -16.343 1.00 0.00 O ATOM 755 CB GLN A 50 -12.007 4.307 -14.320 1.00 0.00 C ATOM 756 CG GLN A 50 -12.225 3.002 -15.102 1.00 0.00 C ATOM 757 CD GLN A 50 -11.320 1.837 -14.690 1.00 0.00 C ATOM 758 OE1 GLN A 50 -11.056 0.955 -15.498 1.00 0.00 O ATOM 759 NE2 GLN A 50 -10.819 1.809 -13.458 1.00 0.00 N ATOM 0 H GLN A 50 -11.238 6.238 -12.977 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.904 4.039 -14.055 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.274 4.143 -13.276 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.684 5.069 -14.706 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -13.264 2.694 -14.982 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.072 3.203 -16.162 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.049 2.551 -12.797 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.205 1.045 -13.174 1.00 0.00 H new ATOM 768 N GLY A 51 -9.342 4.344 -16.445 1.00 0.00 N ATOM 769 CA GLY A 51 -8.853 4.564 -17.800 1.00 0.00 C ATOM 770 C GLY A 51 -7.646 5.506 -17.854 1.00 0.00 C ATOM 771 O GLY A 51 -6.911 5.484 -18.838 1.00 0.00 O ATOM 0 H GLY A 51 -8.999 3.483 -16.019 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.579 3.606 -18.242 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.657 4.978 -18.408 1.00 0.00 H new ATOM 775 N LYS A 52 -7.421 6.319 -16.815 1.00 0.00 N ATOM 776 CA LYS A 52 -6.312 7.262 -16.749 1.00 0.00 C ATOM 777 C LYS A 52 -5.184 6.665 -15.904 1.00 0.00 C ATOM 778 O LYS A 52 -4.012 6.790 -16.254 1.00 0.00 O ATOM 779 CB LYS A 52 -6.804 8.593 -16.165 1.00 0.00 C ATOM 780 CG LYS A 52 -7.952 9.170 -17.007 1.00 0.00 C ATOM 781 CD LYS A 52 -8.370 10.577 -16.557 1.00 0.00 C ATOM 782 CE LYS A 52 -8.978 10.566 -15.149 1.00 0.00 C ATOM 783 NZ LYS A 52 -9.549 11.877 -14.793 1.00 0.00 N ATOM 0 H LYS A 52 -8.016 6.336 -15.987 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.923 7.453 -17.749 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.140 8.442 -15.139 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.980 9.306 -16.129 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.648 9.203 -18.053 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.812 8.503 -16.946 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.503 11.237 -16.573 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.094 10.985 -17.263 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.755 9.803 -15.094 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.212 10.293 -14.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.951 11.832 -13.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.802 12.600 -14.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.298 12.125 -15.471 1.00 0.00 H new ATOM 797 N LEU A 53 -5.542 6.012 -14.795 1.00 0.00 N ATOM 798 CA LEU A 53 -4.618 5.368 -13.878 1.00 0.00 C ATOM 799 C LEU A 53 -5.077 3.932 -13.648 1.00 0.00 C ATOM 800 O LEU A 53 -6.215 3.700 -13.242 1.00 0.00 O ATOM 801 CB LEU A 53 -4.621 6.126 -12.549 1.00 0.00 C ATOM 802 CG LEU A 53 -3.629 5.565 -11.522 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.195 5.998 -11.841 1.00 0.00 C ATOM 804 CD2 LEU A 53 -4.046 6.063 -10.139 1.00 0.00 C ATOM 0 H LEU A 53 -6.516 5.918 -14.508 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.611 5.371 -14.294 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.384 7.173 -12.737 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.625 6.097 -12.126 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.648 4.476 -11.553 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.516 5.585 -11.095 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.916 5.632 -12.829 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.132 7.086 -11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.355 5.677 -9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.026 7.153 -10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.055 5.715 -9.916 1.00 0.00 H new ATOM 816 N THR A 54 -4.182 2.970 -13.861 1.00 0.00 N ATOM 817 CA THR A 54 -4.460 1.570 -13.598 1.00 0.00 C ATOM 818 C THR A 54 -4.083 1.298 -12.142 1.00 0.00 C ATOM 819 O THR A 54 -2.903 1.184 -11.812 1.00 0.00 O ATOM 820 CB THR A 54 -3.650 0.709 -14.570 1.00 0.00 C ATOM 821 OG1 THR A 54 -3.923 1.104 -15.899 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.931 -0.786 -14.423 1.00 0.00 C ATOM 0 H THR A 54 -3.244 3.145 -14.221 1.00 0.00 H new ATOM 0 HA THR A 54 -5.512 1.326 -13.746 1.00 0.00 H new ATOM 0 HB THR A 54 -2.599 0.867 -14.327 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.401 0.552 -16.518 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.326 -1.342 -15.139 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.680 -1.106 -13.411 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.987 -0.978 -14.613 1.00 0.00 H new ATOM 830 N VAL A 55 -5.067 1.196 -11.252 1.00 0.00 N ATOM 831 CA VAL A 55 -4.785 0.885 -9.860 1.00 0.00 C ATOM 832 C VAL A 55 -4.556 -0.622 -9.779 1.00 0.00 C ATOM 833 O VAL A 55 -5.353 -1.399 -10.310 1.00 0.00 O ATOM 834 CB VAL A 55 -5.936 1.356 -8.963 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.684 0.972 -7.502 1.00 0.00 C ATOM 836 CG2 VAL A 55 -6.065 2.881 -9.040 1.00 0.00 C ATOM 0 H VAL A 55 -6.055 1.323 -11.470 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.897 1.406 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.849 0.875 -9.313 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.515 1.317 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.598 -0.112 -7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.760 1.436 -7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.884 3.210 -8.401 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.136 3.342 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.267 3.178 -10.069 1.00 0.00 H new ATOM 846 N ALA A 56 -3.461 -1.043 -9.145 1.00 0.00 N ATOM 847 CA ALA A 56 -3.112 -2.445 -9.027 1.00 0.00 C ATOM 848 C ALA A 56 -2.739 -2.778 -7.586 1.00 0.00 C ATOM 849 O ALA A 56 -2.152 -1.947 -6.897 1.00 0.00 O ATOM 850 CB ALA A 56 -1.979 -2.757 -10.001 1.00 0.00 C ATOM 0 H ALA A 56 -2.794 -0.413 -8.700 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.967 -3.069 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.709 -3.810 -9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.305 -2.543 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.113 -2.141 -9.761 1.00 0.00 H new ATOM 856 N LYS A 57 -3.077 -3.986 -7.129 1.00 0.00 N ATOM 857 CA LYS A 57 -2.796 -4.461 -5.777 1.00 0.00 C ATOM 858 C LYS A 57 -2.002 -5.764 -5.859 1.00 0.00 C ATOM 859 O LYS A 57 -2.563 -6.821 -6.136 1.00 0.00 O ATOM 860 CB LYS A 57 -4.100 -4.606 -4.980 1.00 0.00 C ATOM 861 CG LYS A 57 -4.604 -3.228 -4.525 1.00 0.00 C ATOM 862 CD LYS A 57 -5.788 -3.262 -3.540 1.00 0.00 C ATOM 863 CE LYS A 57 -6.791 -4.399 -3.730 1.00 0.00 C ATOM 864 NZ LYS A 57 -7.922 -4.288 -2.793 1.00 0.00 N ATOM 0 H LYS A 57 -3.564 -4.674 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.186 -3.735 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.857 -5.093 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.935 -5.245 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.778 -2.691 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.899 -2.657 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.390 -3.322 -2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.324 -2.316 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.164 -4.388 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.289 -5.356 -3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.582 -5.076 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.568 -4.323 -1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.416 -3.386 -2.950 1.00 0.00 H new ATOM 878 N LEU A 58 -0.699 -5.714 -5.584 1.00 0.00 N ATOM 879 CA LEU A 58 0.181 -6.866 -5.715 1.00 0.00 C ATOM 880 C LEU A 58 0.380 -7.544 -4.364 1.00 0.00 C ATOM 881 O LEU A 58 0.929 -6.962 -3.430 1.00 0.00 O ATOM 882 CB LEU A 58 1.504 -6.392 -6.315 1.00 0.00 C ATOM 883 CG LEU A 58 2.383 -7.564 -6.784 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.253 -7.055 -7.926 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.285 -8.139 -5.685 1.00 0.00 C ATOM 0 H LEU A 58 -0.226 -4.869 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.263 -7.610 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.302 -5.731 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.048 -5.806 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 58 1.722 -8.375 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.892 -7.862 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.617 -6.706 -8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.873 -6.232 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.874 -8.961 -6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.953 -7.360 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.669 -8.505 -4.863 1.00 0.00 H new ATOM 897 N ASN A 59 -0.093 -8.785 -4.260 1.00 0.00 N ATOM 898 CA ASN A 59 -0.014 -9.552 -3.030 1.00 0.00 C ATOM 899 C ASN A 59 1.384 -10.144 -2.844 1.00 0.00 C ATOM 900 O ASN A 59 1.741 -11.091 -3.549 1.00 0.00 O ATOM 901 CB ASN A 59 -1.057 -10.665 -3.059 1.00 0.00 C ATOM 902 CG ASN A 59 -1.018 -11.396 -1.729 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.211 -12.297 -1.537 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.852 -10.979 -0.787 1.00 0.00 N ATOM 0 H ASN A 59 -0.541 -9.282 -5.030 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.213 -8.888 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.049 -10.250 -3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.852 -11.355 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.836 -11.412 0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.510 -10.225 -0.986 1.00 0.00 H new ATOM 911 N ILE A 60 2.173 -9.619 -1.900 1.00 0.00 N ATOM 912 CA ILE A 60 3.521 -10.126 -1.664 1.00 0.00 C ATOM 913 C ILE A 60 3.506 -11.507 -1.006 1.00 0.00 C ATOM 914 O ILE A 60 4.386 -12.313 -1.294 1.00 0.00 O ATOM 915 CB ILE A 60 4.426 -9.121 -0.928 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.076 -8.935 0.558 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.424 -7.784 -1.679 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.170 -8.177 1.315 1.00 0.00 C ATOM 0 H ILE A 60 1.899 -8.847 -1.292 1.00 0.00 H new ATOM 0 HA ILE A 60 3.976 -10.254 -2.646 1.00 0.00 H new ATOM 0 HB ILE A 60 5.432 -9.540 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.134 -8.393 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.925 -9.911 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.065 -7.073 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.798 -7.935 -2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.408 -7.393 -1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.881 -8.069 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.106 -8.732 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.303 -7.190 0.871 1.00 0.00 H new ATOM 930 N ASP A 61 2.511 -11.818 -0.164 1.00 0.00 N ATOM 931 CA ASP A 61 2.419 -13.132 0.485 1.00 0.00 C ATOM 932 C ASP A 61 2.435 -14.273 -0.538 1.00 0.00 C ATOM 933 O ASP A 61 2.838 -15.388 -0.214 1.00 0.00 O ATOM 934 CB ASP A 61 1.180 -13.242 1.388 1.00 0.00 C ATOM 935 CG ASP A 61 1.269 -12.440 2.683 1.00 0.00 C ATOM 936 OD1 ASP A 61 2.387 -12.001 3.034 1.00 0.00 O ATOM 937 OD2 ASP A 61 0.206 -12.286 3.322 1.00 0.00 O ATOM 0 H ASP A 61 1.758 -11.176 0.084 1.00 0.00 H new ATOM 0 HA ASP A 61 3.303 -13.227 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.307 -12.908 0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.018 -14.291 1.635 1.00 0.00 H new ATOM 942 N GLN A 62 1.971 -14.018 -1.762 1.00 0.00 N ATOM 943 CA GLN A 62 1.962 -14.986 -2.851 1.00 0.00 C ATOM 944 C GLN A 62 2.978 -14.615 -3.938 1.00 0.00 C ATOM 945 O GLN A 62 3.120 -15.348 -4.913 1.00 0.00 O ATOM 946 CB GLN A 62 0.540 -15.078 -3.405 1.00 0.00 C ATOM 947 CG GLN A 62 -0.481 -15.516 -2.339 1.00 0.00 C ATOM 948 CD GLN A 62 -0.281 -16.950 -1.847 1.00 0.00 C ATOM 949 OE1 GLN A 62 -1.025 -17.844 -2.237 1.00 0.00 O ATOM 950 NE2 GLN A 62 0.703 -17.201 -0.985 1.00 0.00 N ATOM 0 H GLN A 62 1.583 -13.112 -2.026 1.00 0.00 H new ATOM 0 HA GLN A 62 2.264 -15.964 -2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.247 -14.108 -3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.521 -15.786 -4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.418 -14.838 -1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.486 -15.419 -2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.312 -16.445 -0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.848 -18.149 -0.638 1.00 0.00 H new ATOM 959 N ASN A 63 3.702 -13.502 -3.774 1.00 0.00 N ATOM 960 CA ASN A 63 4.722 -13.044 -4.713 1.00 0.00 C ATOM 961 C ASN A 63 5.863 -12.330 -3.975 1.00 0.00 C ATOM 962 O ASN A 63 6.084 -11.145 -4.219 1.00 0.00 O ATOM 963 CB ASN A 63 4.093 -12.090 -5.740 1.00 0.00 C ATOM 964 CG ASN A 63 2.934 -12.717 -6.499 1.00 0.00 C ATOM 965 OD1 ASN A 63 3.129 -13.350 -7.532 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.713 -12.516 -6.019 1.00 0.00 N ATOM 0 H ASN A 63 3.590 -12.886 -2.969 1.00 0.00 H new ATOM 0 HA ASN A 63 5.133 -13.914 -5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.743 -11.193 -5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.857 -11.774 -6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.903 -12.892 -6.512 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.585 -11.985 -5.157 1.00 0.00 H new ATOM 973 N PRO A 64 6.609 -13.005 -3.082 1.00 0.00 N ATOM 974 CA PRO A 64 7.687 -12.363 -2.343 1.00 0.00 C ATOM 975 C PRO A 64 8.717 -11.728 -3.276 1.00 0.00 C ATOM 976 O PRO A 64 9.106 -10.580 -3.081 1.00 0.00 O ATOM 977 CB PRO A 64 8.318 -13.455 -1.472 1.00 0.00 C ATOM 978 CG PRO A 64 7.198 -14.484 -1.329 1.00 0.00 C ATOM 979 CD PRO A 64 6.478 -14.397 -2.674 1.00 0.00 C ATOM 0 HA PRO A 64 7.304 -11.545 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.201 -13.885 -1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.632 -13.065 -0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.590 -15.484 -1.145 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.533 -14.244 -0.499 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.928 -15.067 -3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.431 -14.684 -2.580 1.00 0.00 H new ATOM 987 N GLY A 65 9.157 -12.495 -4.280 1.00 0.00 N ATOM 988 CA GLY A 65 10.169 -12.127 -5.262 1.00 0.00 C ATOM 989 C GLY A 65 10.080 -10.690 -5.777 1.00 0.00 C ATOM 990 O GLY A 65 11.107 -10.043 -5.970 1.00 0.00 O ATOM 0 H GLY A 65 8.795 -13.436 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.154 -12.278 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.093 -12.806 -6.111 1.00 0.00 H new ATOM 994 N THR A 66 8.874 -10.174 -6.020 1.00 0.00 N ATOM 995 CA THR A 66 8.716 -8.829 -6.548 1.00 0.00 C ATOM 996 C THR A 66 9.214 -7.744 -5.576 1.00 0.00 C ATOM 997 O THR A 66 9.577 -6.658 -6.014 1.00 0.00 O ATOM 998 CB THR A 66 7.268 -8.634 -7.024 1.00 0.00 C ATOM 999 OG1 THR A 66 6.747 -9.871 -7.475 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.202 -7.632 -8.181 1.00 0.00 C ATOM 0 H THR A 66 7.998 -10.670 -5.858 1.00 0.00 H new ATOM 0 HA THR A 66 9.363 -8.710 -7.417 1.00 0.00 H new ATOM 0 HB THR A 66 6.685 -8.254 -6.185 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.332 -10.239 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.167 -7.512 -8.500 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.595 -6.670 -7.852 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.798 -8.001 -9.016 1.00 0.00 H new ATOM 1008 N ALA A 67 9.264 -8.013 -4.266 1.00 0.00 N ATOM 1009 CA ALA A 67 9.745 -7.042 -3.285 1.00 0.00 C ATOM 1010 C ALA A 67 11.224 -6.660 -3.479 1.00 0.00 C ATOM 1011 O ALA A 67 11.501 -5.486 -3.745 1.00 0.00 O ATOM 1012 CB ALA A 67 9.407 -7.502 -1.861 1.00 0.00 C ATOM 0 H ALA A 67 8.974 -8.903 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 67 9.209 -6.108 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.773 -6.767 -1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.327 -7.603 -1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.881 -8.464 -1.667 1.00 0.00 H new ATOM 1018 N PRO A 68 12.192 -7.591 -3.358 1.00 0.00 N ATOM 1019 CA PRO A 68 13.601 -7.277 -3.544 1.00 0.00 C ATOM 1020 C PRO A 68 13.877 -6.693 -4.929 1.00 0.00 C ATOM 1021 O PRO A 68 14.726 -5.812 -5.040 1.00 0.00 O ATOM 1022 CB PRO A 68 14.380 -8.571 -3.286 1.00 0.00 C ATOM 1023 CG PRO A 68 13.342 -9.664 -3.523 1.00 0.00 C ATOM 1024 CD PRO A 68 12.053 -9.002 -3.039 1.00 0.00 C ATOM 0 HA PRO A 68 13.920 -6.502 -2.847 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.229 -8.670 -3.962 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.775 -8.606 -2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.283 -9.948 -4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.570 -10.570 -2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.182 -9.432 -3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.915 -9.150 -1.968 1.00 0.00 H new ATOM 1032 N LYS A 69 13.156 -7.127 -5.973 1.00 0.00 N ATOM 1033 CA LYS A 69 13.327 -6.575 -7.318 1.00 0.00 C ATOM 1034 C LYS A 69 13.218 -5.044 -7.330 1.00 0.00 C ATOM 1035 O LYS A 69 13.851 -4.404 -8.168 1.00 0.00 O ATOM 1036 CB LYS A 69 12.329 -7.196 -8.304 1.00 0.00 C ATOM 1037 CG LYS A 69 12.659 -8.661 -8.612 1.00 0.00 C ATOM 1038 CD LYS A 69 11.646 -9.227 -9.615 1.00 0.00 C ATOM 1039 CE LYS A 69 11.851 -10.732 -9.804 1.00 0.00 C ATOM 1040 NZ LYS A 69 10.836 -11.297 -10.711 1.00 0.00 N ATOM 0 H LYS A 69 12.449 -7.859 -5.908 1.00 0.00 H new ATOM 0 HA LYS A 69 14.335 -6.834 -7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.323 -7.131 -7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.330 -6.622 -9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.667 -8.738 -9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.640 -9.247 -7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.633 -9.035 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.752 -8.718 -10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.847 -10.919 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.799 -11.233 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.039 -12.304 -10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.894 -11.199 -10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.858 -10.788 -11.617 1.00 0.00 H new ATOM 1054 N TYR A 70 12.445 -4.457 -6.406 1.00 0.00 N ATOM 1055 CA TYR A 70 12.312 -3.008 -6.277 1.00 0.00 C ATOM 1056 C TYR A 70 12.782 -2.530 -4.901 1.00 0.00 C ATOM 1057 O TYR A 70 12.461 -1.414 -4.496 1.00 0.00 O ATOM 1058 CB TYR A 70 10.869 -2.597 -6.595 1.00 0.00 C ATOM 1059 CG TYR A 70 10.489 -2.912 -8.027 1.00 0.00 C ATOM 1060 CD1 TYR A 70 11.004 -2.117 -9.070 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.924 -4.163 -8.326 1.00 0.00 C ATOM 1062 CE1 TYR A 70 11.080 -2.634 -10.374 1.00 0.00 C ATOM 1063 CE2 TYR A 70 10.072 -4.709 -9.610 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.718 -3.971 -10.611 1.00 0.00 C ATOM 1065 OH TYR A 70 10.995 -4.560 -11.807 1.00 0.00 O ATOM 0 H TYR A 70 11.894 -4.981 -5.726 1.00 0.00 H new ATOM 0 HA TYR A 70 12.962 -2.515 -7.000 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.188 -3.113 -5.918 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.749 -1.529 -6.415 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.340 -1.111 -8.867 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.376 -4.704 -7.568 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.414 -2.008 -11.188 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.689 -5.695 -9.826 1.00 0.00 H new ATOM 0 HH TYR A 70 10.676 -5.486 -11.797 1.00 0.00 H new ATOM 1075 N GLY A 71 13.551 -3.360 -4.188 1.00 0.00 N ATOM 1076 CA GLY A 71 14.098 -3.059 -2.871 1.00 0.00 C ATOM 1077 C GLY A 71 13.032 -2.526 -1.917 1.00 0.00 C ATOM 1078 O GLY A 71 13.290 -1.602 -1.147 1.00 0.00 O ATOM 0 H GLY A 71 13.815 -4.286 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.544 -3.960 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.897 -2.324 -2.970 1.00 0.00 H new ATOM 1082 N ILE A 72 11.826 -3.096 -1.976 1.00 0.00 N ATOM 1083 CA ILE A 72 10.729 -2.637 -1.138 1.00 0.00 C ATOM 1084 C ILE A 72 11.055 -2.871 0.342 1.00 0.00 C ATOM 1085 O ILE A 72 11.492 -3.949 0.736 1.00 0.00 O ATOM 1086 CB ILE A 72 9.405 -3.244 -1.628 1.00 0.00 C ATOM 1087 CG1 ILE A 72 9.046 -2.519 -2.938 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.287 -3.088 -0.592 1.00 0.00 C ATOM 1089 CD1 ILE A 72 7.824 -3.096 -3.642 1.00 0.00 C ATOM 0 H ILE A 72 11.590 -3.872 -2.594 1.00 0.00 H new ATOM 0 HA ILE A 72 10.598 -1.559 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 72 9.517 -4.316 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.867 -1.466 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.900 -2.565 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.369 -3.530 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.573 -3.593 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.123 -2.029 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.632 -2.535 -4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.007 -4.142 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.958 -3.025 -2.984 1.00 0.00 H new ATOM 1101 N ARG A 73 10.864 -1.819 1.143 1.00 0.00 N ATOM 1102 CA ARG A 73 11.199 -1.767 2.559 1.00 0.00 C ATOM 1103 C ARG A 73 10.158 -2.464 3.435 1.00 0.00 C ATOM 1104 O ARG A 73 10.497 -3.045 4.462 1.00 0.00 O ATOM 1105 CB ARG A 73 11.306 -0.293 2.968 1.00 0.00 C ATOM 1106 CG ARG A 73 12.410 0.445 2.204 1.00 0.00 C ATOM 1107 CD ARG A 73 12.510 1.899 2.671 1.00 0.00 C ATOM 1108 NE ARG A 73 13.487 2.638 1.862 1.00 0.00 N ATOM 1109 CZ ARG A 73 13.740 3.949 1.979 1.00 0.00 C ATOM 1110 NH1 ARG A 73 13.105 4.680 2.901 1.00 0.00 N ATOM 1111 NH2 ARG A 73 14.633 4.522 1.167 1.00 0.00 N ATOM 0 H ARG A 73 10.455 -0.948 0.804 1.00 0.00 H new ATOM 0 HA ARG A 73 12.142 -2.293 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.351 0.201 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.503 -0.229 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 73 13.365 -0.058 2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.202 0.415 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.533 2.378 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.802 1.930 3.721 1.00 0.00 H new ATOM 0 HE ARG A 73 14.011 2.116 1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.424 4.240 3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.302 5.677 2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.116 3.962 0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.831 5.519 1.250 1.00 0.00 H new ATOM 1125 N GLY A 74 8.885 -2.383 3.048 1.00 0.00 N ATOM 1126 CA GLY A 74 7.775 -2.957 3.786 1.00 0.00 C ATOM 1127 C GLY A 74 6.515 -2.733 2.961 1.00 0.00 C ATOM 1128 O GLY A 74 6.618 -2.526 1.754 1.00 0.00 O ATOM 0 H GLY A 74 8.597 -1.905 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.937 -4.021 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.681 -2.487 4.765 1.00 0.00 H new ATOM 1132 N ILE A 75 5.341 -2.738 3.590 1.00 0.00 N ATOM 1133 CA ILE A 75 4.061 -2.521 2.930 1.00 0.00 C ATOM 1134 C ILE A 75 3.128 -1.805 3.919 1.00 0.00 C ATOM 1135 O ILE A 75 3.386 -1.880 5.121 1.00 0.00 O ATOM 1136 CB ILE A 75 3.484 -3.864 2.439 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.666 -4.973 3.487 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.124 -4.281 1.105 1.00 0.00 C ATOM 1139 CD1 ILE A 75 2.768 -6.168 3.182 1.00 0.00 C ATOM 0 H ILE A 75 5.255 -2.897 4.594 1.00 0.00 H new ATOM 0 HA ILE A 75 4.177 -1.893 2.047 1.00 0.00 H new ATOM 0 HB ILE A 75 2.415 -3.720 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.708 -5.292 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.434 -4.583 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.701 -5.231 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.925 -3.518 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.201 -4.390 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.917 -6.938 3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.725 -5.850 3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.019 -6.571 2.201 1.00 0.00 H new ATOM 1151 N PRO A 76 2.071 -1.108 3.464 1.00 0.00 N ATOM 1152 CA PRO A 76 1.683 -0.914 2.072 1.00 0.00 C ATOM 1153 C PRO A 76 2.694 0.004 1.390 1.00 0.00 C ATOM 1154 O PRO A 76 3.164 0.958 2.007 1.00 0.00 O ATOM 1155 CB PRO A 76 0.300 -0.261 2.115 1.00 0.00 C ATOM 1156 CG PRO A 76 0.306 0.497 3.441 1.00 0.00 C ATOM 1157 CD PRO A 76 1.160 -0.396 4.343 1.00 0.00 C ATOM 0 HA PRO A 76 1.657 -1.849 1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.146 0.410 1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.496 -1.004 2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.736 1.493 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.701 0.626 3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.709 0.199 5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.537 -1.092 4.904 1.00 0.00 H new ATOM 1165 N THR A 77 3.042 -0.297 0.137 1.00 0.00 N ATOM 1166 CA THR A 77 4.011 0.484 -0.619 1.00 0.00 C ATOM 1167 C THR A 77 3.480 0.673 -2.037 1.00 0.00 C ATOM 1168 O THR A 77 3.158 -0.306 -2.708 1.00 0.00 O ATOM 1169 CB THR A 77 5.388 -0.191 -0.555 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.869 -0.096 0.768 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.408 0.479 -1.469 1.00 0.00 C ATOM 0 H THR A 77 2.658 -1.089 -0.378 1.00 0.00 H new ATOM 0 HA THR A 77 4.146 1.477 -0.190 1.00 0.00 H new ATOM 0 HB THR A 77 5.265 -1.224 -0.879 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.990 -0.996 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.365 -0.037 -1.386 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.059 0.432 -2.500 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.531 1.521 -1.175 1.00 0.00 H new ATOM 1179 N LEU A 78 3.366 1.931 -2.465 1.00 0.00 N ATOM 1180 CA LEU A 78 2.829 2.354 -3.744 1.00 0.00 C ATOM 1181 C LEU A 78 3.975 2.687 -4.700 1.00 0.00 C ATOM 1182 O LEU A 78 4.740 3.603 -4.410 1.00 0.00 O ATOM 1183 CB LEU A 78 1.957 3.613 -3.545 1.00 0.00 C ATOM 1184 CG LEU A 78 1.059 3.619 -2.298 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.263 4.924 -2.221 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.065 2.460 -2.298 1.00 0.00 C ATOM 0 H LEU A 78 3.664 2.720 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 78 2.226 1.549 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.613 4.482 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.325 3.736 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 78 1.722 3.518 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.368 4.913 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.951 5.767 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.362 5.022 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.548 2.506 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.576 2.530 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.608 1.515 -2.320 1.00 0.00 H new ATOM 1198 N LEU A 79 4.088 1.990 -5.835 1.00 0.00 N ATOM 1199 CA LEU A 79 5.055 2.293 -6.888 1.00 0.00 C ATOM 1200 C LEU A 79 4.234 2.716 -8.097 1.00 0.00 C ATOM 1201 O LEU A 79 3.450 1.922 -8.616 1.00 0.00 O ATOM 1202 CB LEU A 79 5.925 1.088 -7.268 1.00 0.00 C ATOM 1203 CG LEU A 79 7.164 0.898 -6.385 1.00 0.00 C ATOM 1204 CD1 LEU A 79 6.801 0.454 -4.971 1.00 0.00 C ATOM 1205 CD2 LEU A 79 8.099 -0.143 -7.008 1.00 0.00 C ATOM 0 H LEU A 79 3.498 1.186 -6.049 1.00 0.00 H new ATOM 0 HA LEU A 79 5.741 3.066 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.316 0.185 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.246 1.199 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 79 7.662 1.866 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.711 0.332 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.166 1.207 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.267 -0.495 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.976 -0.271 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.575 -1.095 -7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.412 0.194 -7.996 1.00 0.00 H new ATOM 1217 N LEU A 80 4.401 3.958 -8.544 1.00 0.00 N ATOM 1218 CA LEU A 80 3.679 4.479 -9.687 1.00 0.00 C ATOM 1219 C LEU A 80 4.552 4.260 -10.921 1.00 0.00 C ATOM 1220 O LEU A 80 5.498 5.007 -11.154 1.00 0.00 O ATOM 1221 CB LEU A 80 3.340 5.941 -9.406 1.00 0.00 C ATOM 1222 CG LEU A 80 2.464 6.621 -10.475 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.508 5.691 -11.232 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.609 7.674 -9.770 1.00 0.00 C ATOM 0 H LEU A 80 5.043 4.627 -8.119 1.00 0.00 H new ATOM 0 HA LEU A 80 2.732 3.971 -9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.828 6.002 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.269 6.502 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 80 3.153 7.024 -11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.939 6.269 -11.960 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.082 4.921 -11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.823 5.221 -10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.975 8.176 -10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.985 7.192 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.257 8.406 -9.288 1.00 0.00 H new ATOM 1236 N PHE A 81 4.241 3.221 -11.696 1.00 0.00 N ATOM 1237 CA PHE A 81 4.973 2.839 -12.895 1.00 0.00 C ATOM 1238 C PHE A 81 4.378 3.538 -14.116 1.00 0.00 C ATOM 1239 O PHE A 81 3.159 3.586 -14.259 1.00 0.00 O ATOM 1240 CB PHE A 81 4.914 1.315 -13.065 1.00 0.00 C ATOM 1241 CG PHE A 81 5.936 0.552 -12.241 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.627 0.150 -10.930 1.00 0.00 C ATOM 1243 CD2 PHE A 81 7.150 0.138 -12.827 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.496 -0.708 -10.233 1.00 0.00 C ATOM 1245 CE2 PHE A 81 8.026 -0.712 -12.127 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.702 -1.124 -10.823 1.00 0.00 C ATOM 0 H PHE A 81 3.451 2.607 -11.498 1.00 0.00 H new ATOM 0 HA PHE A 81 6.015 3.145 -12.798 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.916 0.970 -12.794 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.060 1.073 -14.118 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.721 0.500 -10.458 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.409 0.476 -13.820 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.236 -1.048 -9.242 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.943 -1.046 -12.590 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.380 -1.761 -10.274 1.00 0.00 H new ATOM 1256 N LYS A 82 5.235 4.058 -14.997 1.00 0.00 N ATOM 1257 CA LYS A 82 4.877 4.712 -16.248 1.00 0.00 C ATOM 1258 C LYS A 82 5.893 4.245 -17.294 1.00 0.00 C ATOM 1259 O LYS A 82 7.091 4.448 -17.107 1.00 0.00 O ATOM 1260 CB LYS A 82 4.933 6.241 -16.095 1.00 0.00 C ATOM 1261 CG LYS A 82 3.946 6.788 -15.053 1.00 0.00 C ATOM 1262 CD LYS A 82 4.005 8.321 -14.951 1.00 0.00 C ATOM 1263 CE LYS A 82 3.256 9.019 -16.092 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.414 10.484 -16.020 1.00 0.00 N ATOM 0 H LYS A 82 6.243 4.031 -14.846 1.00 0.00 H new ATOM 0 HA LYS A 82 3.860 4.454 -16.544 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.945 6.533 -15.814 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.724 6.703 -17.060 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.934 6.481 -15.317 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.168 6.351 -14.079 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.580 8.634 -13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.047 8.642 -14.956 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.630 8.657 -17.050 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.198 8.763 -16.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.719 10.939 -16.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.261 10.802 -15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.374 10.745 -16.322 1.00 0.00 H new ATOM 1278 N ASN A 83 5.452 3.583 -18.370 1.00 0.00 N ATOM 1279 CA ASN A 83 6.343 3.079 -19.417 1.00 0.00 C ATOM 1280 C ASN A 83 7.435 2.195 -18.803 1.00 0.00 C ATOM 1281 O ASN A 83 8.610 2.287 -19.153 1.00 0.00 O ATOM 1282 CB ASN A 83 6.903 4.253 -20.242 1.00 0.00 C ATOM 1283 CG ASN A 83 7.371 3.826 -21.634 1.00 0.00 C ATOM 1284 OD1 ASN A 83 6.751 4.176 -22.632 1.00 0.00 O ATOM 1285 ND2 ASN A 83 8.457 3.068 -21.727 1.00 0.00 N ATOM 0 H ASN A 83 4.466 3.382 -18.538 1.00 0.00 H new ATOM 0 HA ASN A 83 5.786 2.447 -20.109 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.136 5.021 -20.341 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.738 4.704 -19.705 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.791 2.765 -22.642 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.958 2.788 -20.883 1.00 0.00 H new ATOM 1292 N GLY A 84 7.047 1.355 -17.841 1.00 0.00 N ATOM 1293 CA GLY A 84 7.964 0.464 -17.142 1.00 0.00 C ATOM 1294 C GLY A 84 8.884 1.164 -16.137 1.00 0.00 C ATOM 1295 O GLY A 84 9.523 0.483 -15.338 1.00 0.00 O ATOM 0 H GLY A 84 6.080 1.276 -17.526 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.384 -0.295 -16.617 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.578 -0.055 -17.878 1.00 0.00 H new ATOM 1299 N GLU A 85 8.960 2.499 -16.144 1.00 0.00 N ATOM 1300 CA GLU A 85 9.817 3.255 -15.250 1.00 0.00 C ATOM 1301 C GLU A 85 9.028 3.666 -14.013 1.00 0.00 C ATOM 1302 O GLU A 85 7.896 4.131 -14.121 1.00 0.00 O ATOM 1303 CB GLU A 85 10.344 4.498 -15.977 1.00 0.00 C ATOM 1304 CG GLU A 85 11.206 4.115 -17.185 1.00 0.00 C ATOM 1305 CD GLU A 85 11.630 5.349 -17.972 1.00 0.00 C ATOM 1306 OE1 GLU A 85 12.667 5.935 -17.594 1.00 0.00 O ATOM 1307 OE2 GLU A 85 10.903 5.692 -18.930 1.00 0.00 O ATOM 0 H GLU A 85 8.419 3.083 -16.781 1.00 0.00 H new ATOM 0 HA GLU A 85 10.661 2.638 -14.943 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.506 5.112 -16.306 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.931 5.104 -15.287 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.090 3.574 -16.847 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.648 3.440 -17.834 1.00 0.00 H new ATOM 1314 N VAL A 86 9.637 3.527 -12.838 1.00 0.00 N ATOM 1315 CA VAL A 86 9.030 3.969 -11.593 1.00 0.00 C ATOM 1316 C VAL A 86 9.100 5.499 -11.594 1.00 0.00 C ATOM 1317 O VAL A 86 10.189 6.063 -11.531 1.00 0.00 O ATOM 1318 CB VAL A 86 9.761 3.349 -10.391 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.203 3.877 -9.066 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.605 1.823 -10.400 1.00 0.00 C ATOM 0 H VAL A 86 10.560 3.107 -12.726 1.00 0.00 H new ATOM 0 HA VAL A 86 7.992 3.647 -11.510 1.00 0.00 H new ATOM 0 HB VAL A 86 10.812 3.624 -10.477 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.741 3.419 -8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.326 4.959 -9.025 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.144 3.629 -8.993 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.128 1.399 -9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.547 1.565 -10.344 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.029 1.419 -11.320 1.00 0.00 H new ATOM 1330 N ALA A 87 7.949 6.166 -11.674 1.00 0.00 N ATOM 1331 CA ALA A 87 7.867 7.618 -11.697 1.00 0.00 C ATOM 1332 C ALA A 87 8.028 8.152 -10.276 1.00 0.00 C ATOM 1333 O ALA A 87 8.731 9.135 -10.056 1.00 0.00 O ATOM 1334 CB ALA A 87 6.524 8.038 -12.300 1.00 0.00 C ATOM 0 H ALA A 87 7.041 5.705 -11.725 1.00 0.00 H new ATOM 0 HA ALA A 87 8.664 8.035 -12.313 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.458 9.126 -12.319 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.445 7.652 -13.316 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.712 7.636 -11.695 1.00 0.00 H new ATOM 1340 N ALA A 88 7.407 7.478 -9.304 1.00 0.00 N ATOM 1341 CA ALA A 88 7.517 7.812 -7.897 1.00 0.00 C ATOM 1342 C ALA A 88 7.148 6.584 -7.077 1.00 0.00 C ATOM 1343 O ALA A 88 6.451 5.693 -7.571 1.00 0.00 O ATOM 1344 CB ALA A 88 6.608 8.989 -7.541 1.00 0.00 C ATOM 0 H ALA A 88 6.806 6.674 -9.484 1.00 0.00 H new ATOM 0 HA ALA A 88 8.541 8.112 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.709 9.219 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.893 9.860 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.572 8.728 -7.758 1.00 0.00 H new ATOM 1350 N THR A 89 7.606 6.566 -5.825 1.00 0.00 N ATOM 1351 CA THR A 89 7.374 5.496 -4.876 1.00 0.00 C ATOM 1352 C THR A 89 6.968 6.118 -3.543 1.00 0.00 C ATOM 1353 O THR A 89 7.460 7.192 -3.199 1.00 0.00 O ATOM 1354 CB THR A 89 8.658 4.664 -4.737 1.00 0.00 C ATOM 1355 OG1 THR A 89 8.960 4.087 -5.987 1.00 0.00 O ATOM 1356 CG2 THR A 89 8.530 3.547 -3.697 1.00 0.00 C ATOM 0 H THR A 89 8.167 7.325 -5.438 1.00 0.00 H new ATOM 0 HA THR A 89 6.576 4.835 -5.214 1.00 0.00 H new ATOM 0 HB THR A 89 9.450 5.334 -4.402 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.779 3.554 -5.912 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.467 2.992 -3.642 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.307 3.981 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.725 2.871 -3.986 1.00 0.00 H new ATOM 1364 N LYS A 90 6.076 5.451 -2.807 1.00 0.00 N ATOM 1365 CA LYS A 90 5.581 5.880 -1.512 1.00 0.00 C ATOM 1366 C LYS A 90 5.540 4.645 -0.608 1.00 0.00 C ATOM 1367 O LYS A 90 4.872 3.676 -0.951 1.00 0.00 O ATOM 1368 CB LYS A 90 4.176 6.473 -1.703 1.00 0.00 C ATOM 1369 CG LYS A 90 3.741 7.437 -0.598 1.00 0.00 C ATOM 1370 CD LYS A 90 3.899 6.844 0.807 1.00 0.00 C ATOM 1371 CE LYS A 90 3.031 7.586 1.817 1.00 0.00 C ATOM 1372 NZ LYS A 90 3.278 7.098 3.183 1.00 0.00 N ATOM 0 H LYS A 90 5.669 4.567 -3.114 1.00 0.00 H new ATOM 0 HA LYS A 90 6.218 6.640 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.143 6.996 -2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.455 5.657 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.329 8.352 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.699 7.715 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.625 5.789 0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.944 6.898 1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.239 8.655 1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.979 7.454 1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.375 6.829 3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.906 6.270 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.727 7.850 3.744 1.00 0.00 H new ATOM 1386 N VAL A 91 6.230 4.672 0.536 1.00 0.00 N ATOM 1387 CA VAL A 91 6.238 3.589 1.516 1.00 0.00 C ATOM 1388 C VAL A 91 5.348 4.028 2.686 1.00 0.00 C ATOM 1389 O VAL A 91 5.557 5.114 3.224 1.00 0.00 O ATOM 1390 CB VAL A 91 7.689 3.317 1.965 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.767 2.186 3.001 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.570 2.933 0.768 1.00 0.00 C ATOM 0 H VAL A 91 6.810 5.465 0.810 1.00 0.00 H new ATOM 0 HA VAL A 91 5.851 2.660 1.098 1.00 0.00 H new ATOM 0 HB VAL A 91 8.049 4.241 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.806 2.028 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.184 2.458 3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.367 1.269 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.588 2.746 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.174 2.032 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.575 3.747 0.044 1.00 0.00 H new ATOM 1402 N GLY A 92 4.361 3.212 3.072 1.00 0.00 N ATOM 1403 CA GLY A 92 3.443 3.501 4.167 1.00 0.00 C ATOM 1404 C GLY A 92 2.091 4.017 3.668 1.00 0.00 C ATOM 1405 O GLY A 92 1.944 4.390 2.506 1.00 0.00 O ATOM 0 H GLY A 92 4.179 2.316 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.290 2.598 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.891 4.242 4.828 1.00 0.00 H new ATOM 1409 N ALA A 93 1.099 4.041 4.567 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.251 4.508 4.272 1.00 0.00 C ATOM 1411 C ALA A 93 -0.293 6.032 4.089 1.00 0.00 C ATOM 1412 O ALA A 93 0.684 6.728 4.358 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.197 4.055 5.390 1.00 0.00 C ATOM 0 H ALA A 93 1.219 3.731 5.531 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.577 4.070 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.208 4.402 5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.192 2.967 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.865 4.474 6.340 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.439 6.546 3.631 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.667 7.958 3.354 1.00 0.00 C ATOM 1421 C LEU A 94 -3.164 8.235 3.259 1.00 0.00 C ATOM 1422 O LEU A 94 -3.967 7.303 3.270 1.00 0.00 O ATOM 1423 CB LEU A 94 -0.943 8.368 2.062 1.00 0.00 C ATOM 1424 CG LEU A 94 -1.524 7.818 0.742 1.00 0.00 C ATOM 1425 CD1 LEU A 94 -0.529 8.099 -0.388 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -1.818 6.313 0.728 1.00 0.00 C ATOM 0 H LEU A 94 -2.257 5.967 3.438 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.262 8.555 4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.938 9.456 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.096 8.048 2.137 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.481 8.325 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.927 7.715 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.370 9.174 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.419 7.608 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.222 6.030 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.897 5.761 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.544 6.077 1.506 1.00 0.00 H new ATOM 1438 N SER A 95 -3.531 9.514 3.158 1.00 0.00 N ATOM 1439 CA SER A 95 -4.912 9.944 3.027 1.00 0.00 C ATOM 1440 C SER A 95 -5.316 9.971 1.554 1.00 0.00 C ATOM 1441 O SER A 95 -4.464 10.018 0.665 1.00 0.00 O ATOM 1442 CB SER A 95 -5.053 11.341 3.643 1.00 0.00 C ATOM 1443 OG SER A 95 -4.255 12.279 2.938 1.00 0.00 O ATOM 0 H SER A 95 -2.864 10.285 3.166 1.00 0.00 H new ATOM 0 HA SER A 95 -5.568 9.246 3.548 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.097 11.652 3.618 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.753 11.315 4.691 1.00 0.00 H new ATOM 0 HG SER A 95 -4.358 13.166 3.343 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.628 9.996 1.295 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.156 10.119 -0.056 1.00 0.00 C ATOM 1451 C LYS A 96 -6.557 11.369 -0.706 1.00 0.00 C ATOM 1452 O LYS A 96 -6.099 11.322 -1.843 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.690 10.168 0.002 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.321 10.176 -1.398 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.845 10.024 -1.289 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.507 9.980 -2.672 1.00 0.00 C ATOM 1457 NZ LYS A 96 -11.421 11.274 -3.371 1.00 0.00 N ATOM 0 H LYS A 96 -7.346 9.931 2.017 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.880 9.259 -0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.059 9.308 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.004 11.059 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.076 11.106 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.908 9.364 -1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.082 9.112 -0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.254 10.855 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.029 9.209 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.554 9.697 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.594 11.132 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.135 11.925 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.473 11.680 -3.235 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.534 12.475 0.043 1.00 0.00 N ATOM 1472 CA GLY A 97 -5.952 13.727 -0.406 1.00 0.00 C ATOM 1473 C GLY A 97 -4.501 13.521 -0.831 1.00 0.00 C ATOM 1474 O GLY A 97 -4.162 13.746 -1.989 1.00 0.00 O ATOM 0 H GLY A 97 -6.924 12.519 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.529 14.124 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.001 14.465 0.394 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.637 13.073 0.089 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.230 12.858 -0.222 1.00 0.00 C ATOM 1480 C GLN A 98 -2.054 11.944 -1.434 1.00 0.00 C ATOM 1481 O GLN A 98 -1.228 12.231 -2.302 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.499 12.345 1.018 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.363 13.433 2.094 1.00 0.00 C ATOM 1484 CD GLN A 98 -0.302 14.479 1.755 1.00 0.00 C ATOM 1485 OE1 GLN A 98 0.834 14.372 2.203 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -0.639 15.501 0.970 1.00 0.00 N ATOM 0 H GLN A 98 -3.893 12.854 1.052 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.779 13.810 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.038 11.492 1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.509 11.989 0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.325 13.929 2.225 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.113 12.965 3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.589 15.573 0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.053 16.211 0.732 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.845 10.873 -1.522 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.791 10.000 -2.680 1.00 0.00 C ATOM 1497 C LEU A 99 -3.118 10.809 -3.940 1.00 0.00 C ATOM 1498 O LEU A 99 -2.343 10.791 -4.890 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.705 8.784 -2.470 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.708 7.765 -3.623 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.311 7.376 -4.121 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.398 6.487 -3.132 1.00 0.00 C ATOM 0 H LEU A 99 -3.521 10.597 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.786 9.599 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.402 8.274 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.724 9.137 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.226 8.240 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.402 6.655 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.793 8.265 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.744 6.932 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.412 5.750 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.853 6.084 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.421 6.717 -2.834 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.221 11.562 -3.956 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.565 12.387 -5.109 1.00 0.00 C ATOM 1516 C LYS A 100 -3.457 13.392 -5.447 1.00 0.00 C ATOM 1517 O LYS A 100 -3.132 13.544 -6.625 1.00 0.00 O ATOM 1518 CB LYS A 100 -5.946 13.036 -4.948 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.019 11.940 -5.023 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.460 12.460 -5.000 1.00 0.00 C ATOM 1521 CE LYS A 100 -8.814 13.273 -6.250 1.00 0.00 C ATOM 1522 NZ LYS A 100 -10.263 13.529 -6.325 1.00 0.00 N ATOM 0 H LYS A 100 -4.887 11.615 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.640 11.729 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.008 13.560 -3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.108 13.777 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.869 11.364 -5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.880 11.255 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.145 11.617 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.604 13.080 -4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.275 14.220 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.490 12.735 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.478 14.052 -7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.776 12.624 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.559 14.092 -5.502 1.00 0.00 H new ATOM 1536 N GLU A 101 -2.845 14.047 -4.452 1.00 0.00 N ATOM 1537 CA GLU A 101 -1.724 14.951 -4.708 1.00 0.00 C ATOM 1538 C GLU A 101 -0.599 14.184 -5.417 1.00 0.00 C ATOM 1539 O GLU A 101 -0.121 14.606 -6.470 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.191 15.598 -3.417 1.00 0.00 C ATOM 1541 CG GLU A 101 -1.985 16.822 -2.929 1.00 0.00 C ATOM 1542 CD GLU A 101 -3.106 16.488 -1.950 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -2.765 16.152 -0.792 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -4.280 16.610 -2.361 1.00 0.00 O ATOM 0 H GLU A 101 -3.107 13.967 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.086 15.757 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.187 14.847 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.155 15.896 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.298 17.521 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.411 17.333 -3.792 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.183 13.053 -4.837 1.00 0.00 N ATOM 1552 CA PHE A 102 0.864 12.195 -5.384 1.00 0.00 C ATOM 1553 C PHE A 102 0.550 11.834 -6.841 1.00 0.00 C ATOM 1554 O PHE A 102 1.377 12.025 -7.736 1.00 0.00 O ATOM 1555 CB PHE A 102 1.002 10.951 -4.495 1.00 0.00 C ATOM 1556 CG PHE A 102 1.992 9.904 -4.971 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.345 9.982 -4.591 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.530 8.773 -5.672 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.221 8.917 -4.873 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.406 7.710 -5.953 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.751 7.778 -5.549 1.00 0.00 C ATOM 0 H PHE A 102 -0.573 12.706 -3.961 1.00 0.00 H new ATOM 0 HA PHE A 102 1.819 12.721 -5.388 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.295 11.273 -3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.022 10.482 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.712 10.861 -4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.500 8.722 -5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.256 8.975 -4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.045 6.839 -6.480 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.421 6.957 -5.758 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.659 11.324 -7.082 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.106 10.951 -8.413 1.00 0.00 C ATOM 1573 C LEU A 103 -1.018 12.142 -9.355 1.00 0.00 C ATOM 1574 O LEU A 103 -0.388 12.041 -10.401 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.540 10.414 -8.374 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.660 9.088 -7.620 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -4.139 8.725 -7.488 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.867 7.969 -8.295 1.00 0.00 C ATOM 0 H LEU A 103 -1.353 11.160 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.452 10.161 -8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.187 11.154 -7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.900 10.280 -9.394 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.226 9.208 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.235 7.781 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.659 9.510 -6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.579 8.625 -8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.982 7.047 -7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.240 7.818 -9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.813 8.243 -8.334 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.632 13.270 -8.991 1.00 0.00 N ATOM 1591 CA ASP A 104 -1.616 14.474 -9.808 1.00 0.00 C ATOM 1592 C ASP A 104 -0.183 14.854 -10.180 1.00 0.00 C ATOM 1593 O ASP A 104 0.117 15.052 -11.354 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.321 15.618 -9.074 1.00 0.00 C ATOM 1595 CG ASP A 104 -2.285 16.896 -9.904 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.129 17.001 -10.820 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -1.408 17.739 -9.614 1.00 0.00 O ATOM 0 H ASP A 104 -2.153 13.369 -8.120 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.157 14.279 -10.734 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.355 15.342 -8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.839 15.790 -8.111 1.00 0.00 H new ATOM 1602 N ALA A 105 0.700 14.932 -9.182 1.00 0.00 N ATOM 1603 CA ALA A 105 2.102 15.271 -9.385 1.00 0.00 C ATOM 1604 C ALA A 105 2.770 14.338 -10.400 1.00 0.00 C ATOM 1605 O ALA A 105 3.573 14.787 -11.215 1.00 0.00 O ATOM 1606 CB ALA A 105 2.838 15.239 -8.044 1.00 0.00 C ATOM 0 H ALA A 105 0.457 14.760 -8.206 1.00 0.00 H new ATOM 0 HA ALA A 105 2.155 16.279 -9.798 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.887 15.493 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.386 15.961 -7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.766 14.240 -7.613 1.00 0.00 H new ATOM 1612 N ASN A 106 2.441 13.044 -10.363 1.00 0.00 N ATOM 1613 CA ASN A 106 3.044 12.062 -11.262 1.00 0.00 C ATOM 1614 C ASN A 106 2.418 12.116 -12.653 1.00 0.00 C ATOM 1615 O ASN A 106 3.127 12.022 -13.652 1.00 0.00 O ATOM 1616 CB ASN A 106 2.879 10.652 -10.688 1.00 0.00 C ATOM 1617 CG ASN A 106 3.958 10.322 -9.668 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.947 9.682 -10.006 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.774 10.732 -8.418 1.00 0.00 N ATOM 0 H ASN A 106 1.757 12.653 -9.716 1.00 0.00 H new ATOM 0 HA ASN A 106 4.103 12.305 -11.351 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.899 10.564 -10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.912 9.924 -11.499 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.469 10.516 -7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.938 11.263 -8.173 1.00 0.00 H new ATOM 1626 N LEU A 107 1.095 12.248 -12.736 1.00 0.00 N ATOM 1627 CA LEU A 107 0.377 12.309 -13.997 1.00 0.00 C ATOM 1628 C LEU A 107 0.793 13.573 -14.752 1.00 0.00 C ATOM 1629 O LEU A 107 1.080 13.520 -15.945 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.133 12.265 -13.724 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.608 10.896 -13.199 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.005 11.039 -12.587 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.655 9.839 -14.312 1.00 0.00 C ATOM 0 H LEU A 107 0.490 12.316 -11.918 1.00 0.00 H new ATOM 0 HA LEU A 107 0.624 11.452 -14.624 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.388 13.036 -12.997 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.670 12.503 -14.642 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.892 10.565 -12.447 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.341 10.071 -12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.970 11.751 -11.763 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.700 11.397 -13.346 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.995 8.890 -13.898 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.344 10.162 -15.092 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.659 9.714 -14.737 1.00 0.00 H new ATOM 1645 N ALA A 108 0.857 14.710 -14.052 1.00 0.00 N ATOM 1646 CA ALA A 108 1.280 15.975 -14.632 1.00 0.00 C ATOM 1647 C ALA A 108 2.703 15.846 -15.175 1.00 0.00 C ATOM 1648 O ALA A 108 3.229 16.783 -15.773 1.00 0.00 O ATOM 1649 CB ALA A 108 1.188 17.079 -13.574 1.00 0.00 C ATOM 0 H ALA A 108 0.614 14.772 -13.063 1.00 0.00 H new ATOM 0 HA ALA A 108 0.624 16.239 -15.462 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.505 18.027 -14.009 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.158 17.165 -13.227 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.835 16.831 -12.733 1.00 0.00 H new