USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 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 Single : A 3 THR OG1 : rot 180:sc= -0.797 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 128:sc= 0.0762 USER MOD Single : A 10 GLN : amide:sc= 0.00275 K(o=0.0028,f=-3.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.423 K(o=0.42,f=-6.5!) USER MOD Single : A 38 ASN : amide:sc= -2.8 K(o=-2.8,f=-6.8!) USER MOD Single : A 39 MET CE :methyl -163:sc= -2.07 (180deg=-3.1!) USER MOD Single : A 43 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.086) USER MOD Single : A 45 SER OG : rot 131:sc= 0.736 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -149:sc= -3.18! USER MOD Single : A 55 HIS : no HD1:sc= -0.956 K(o=-0.96,f=-0.35) USER MOD Single : A 63 SER OG : rot -151:sc= 1.24 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 66 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.5!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 70 LYS NZ :NH3+ -112:sc= 0.836 (180deg=-0.218) USER MOD Single : A 73 CYS SG : rot -134:sc= -0.0641 USER MOD Single : A 75 ASN : amide:sc= -0.523 K(o=-0.52,f=0.026) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 1.02 (180deg=0.62) USER MOD Single : A 80 LYS NZ :NH3+ -107:sc= -1.1 (180deg=-3.8!) USER MOD Single : A 82 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.052) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 86 TYR OH : rot 158:sc= 0.553 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= -0.498 (180deg=-0.588) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.981 -2.958 -3.848 1.00 0.00 N ATOM 28 CA THR A 3 6.969 -2.777 -4.904 1.00 0.00 C ATOM 29 C THR A 3 8.386 -2.827 -4.345 1.00 0.00 C ATOM 30 O THR A 3 8.651 -2.400 -3.221 1.00 0.00 O ATOM 31 CB THR A 3 6.766 -1.440 -5.641 1.00 0.00 C ATOM 32 OG1 THR A 3 7.946 -1.104 -6.380 1.00 0.00 O ATOM 33 CG2 THR A 3 6.443 -0.325 -4.658 1.00 0.00 C ATOM 0 HA THR A 3 6.831 -3.596 -5.610 1.00 0.00 H new ATOM 0 HB THR A 3 5.927 -1.552 -6.328 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.808 -0.253 -6.847 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.304 0.610 -5.201 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.529 -0.570 -4.117 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.265 -0.215 -3.950 1.00 0.00 H new ATOM 41 N PRO A 4 9.321 -3.359 -5.146 1.00 0.00 N ATOM 42 CA PRO A 4 10.728 -3.476 -4.752 1.00 0.00 C ATOM 43 C PRO A 4 11.424 -2.121 -4.678 1.00 0.00 C ATOM 44 O PRO A 4 12.094 -1.810 -3.693 1.00 0.00 O ATOM 45 CB PRO A 4 11.339 -4.330 -5.866 1.00 0.00 C ATOM 46 CG PRO A 4 10.461 -4.097 -7.047 1.00 0.00 C ATOM 47 CD PRO A 4 9.076 -3.888 -6.498 1.00 0.00 C ATOM 0 HA PRO A 4 10.838 -3.907 -3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.367 -4.034 -6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.360 -5.384 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.792 -3.227 -7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.487 -4.949 -7.727 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.504 -3.187 -7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.511 -4.819 -6.469 1.00 0.00 H new ATOM 55 N ARG A 5 11.259 -1.319 -5.724 1.00 0.00 N ATOM 56 CA ARG A 5 11.872 0.003 -5.778 1.00 0.00 C ATOM 57 C ARG A 5 11.120 0.913 -6.745 1.00 0.00 C ATOM 58 O ARG A 5 10.595 0.457 -7.761 1.00 0.00 O ATOM 59 CB ARG A 5 13.338 -0.108 -6.200 1.00 0.00 C ATOM 60 CG ARG A 5 14.303 -0.204 -5.030 1.00 0.00 C ATOM 61 CD ARG A 5 14.918 -1.591 -4.927 1.00 0.00 C ATOM 62 NE ARG A 5 16.088 -1.607 -4.053 1.00 0.00 N ATOM 63 CZ ARG A 5 16.894 -2.655 -3.924 1.00 0.00 C ATOM 64 NH1 ARG A 5 16.658 -3.766 -4.608 1.00 0.00 N ATOM 65 NH2 ARG A 5 17.939 -2.594 -3.109 1.00 0.00 N ATOM 0 H ARG A 5 10.706 -1.561 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 5 11.820 0.440 -4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.459 -0.987 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.600 0.760 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.093 0.538 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.779 0.032 -4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.173 -2.291 -4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.203 -1.936 -5.921 1.00 0.00 H new ATOM 0 HE ARG A 5 16.298 -0.768 -3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.856 -3.818 -5.236 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.279 -4.569 -4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.124 -1.742 -2.580 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.557 -3.400 -3.011 1.00 0.00 H new ATOM 79 N PHE A 6 11.072 2.201 -6.422 1.00 0.00 N ATOM 80 CA PHE A 6 10.384 3.174 -7.262 1.00 0.00 C ATOM 81 C PHE A 6 10.839 4.593 -6.934 1.00 0.00 C ATOM 82 O PHE A 6 10.888 4.988 -5.769 1.00 0.00 O ATOM 83 CB PHE A 6 8.869 3.057 -7.078 1.00 0.00 C ATOM 84 CG PHE A 6 8.393 3.511 -5.728 1.00 0.00 C ATOM 85 CD1 PHE A 6 8.319 2.620 -4.669 1.00 0.00 C ATOM 86 CD2 PHE A 6 8.017 4.828 -5.518 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.881 3.035 -3.425 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.579 5.248 -4.276 1.00 0.00 C ATOM 89 CZ PHE A 6 7.510 4.350 -3.229 1.00 0.00 C ATOM 0 H PHE A 6 11.501 2.595 -5.585 1.00 0.00 H new ATOM 0 HA PHE A 6 10.635 2.962 -8.301 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.371 3.647 -7.847 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.572 2.019 -7.229 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.607 1.590 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.067 5.534 -6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.829 2.331 -2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.291 6.278 -4.124 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.166 4.676 -2.258 1.00 0.00 H new ATOM 99 N SER A 7 11.172 5.356 -7.971 1.00 0.00 N ATOM 100 CA SER A 7 11.628 6.730 -7.794 1.00 0.00 C ATOM 101 C SER A 7 10.770 7.695 -8.607 1.00 0.00 C ATOM 102 O SER A 7 10.386 7.399 -9.739 1.00 0.00 O ATOM 103 CB SER A 7 13.095 6.860 -8.208 1.00 0.00 C ATOM 104 OG SER A 7 13.953 6.309 -7.225 1.00 0.00 O ATOM 0 H SER A 7 11.134 5.046 -8.942 1.00 0.00 H new ATOM 0 HA SER A 7 11.532 6.986 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.254 6.353 -9.160 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.341 7.911 -8.362 1.00 0.00 H new ATOM 0 HG SER A 7 14.885 6.403 -7.514 1.00 0.00 H new ATOM 110 N ILE A 8 10.474 8.850 -8.020 1.00 0.00 N ATOM 111 CA ILE A 8 9.663 9.860 -8.689 1.00 0.00 C ATOM 112 C ILE A 8 10.491 11.094 -9.028 1.00 0.00 C ATOM 113 O ILE A 8 11.368 11.497 -8.263 1.00 0.00 O ATOM 114 CB ILE A 8 8.463 10.283 -7.822 1.00 0.00 C ATOM 115 CG1 ILE A 8 7.809 9.056 -7.183 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.451 11.054 -8.657 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.610 9.390 -6.323 1.00 0.00 C ATOM 0 H ILE A 8 10.783 9.109 -7.083 1.00 0.00 H new ATOM 0 HA ILE A 8 9.294 9.409 -9.610 1.00 0.00 H new ATOM 0 HB ILE A 8 8.822 10.936 -7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.501 8.367 -7.970 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.549 8.535 -6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.609 11.346 -8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.923 11.946 -9.069 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.095 10.423 -9.472 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.197 8.473 -5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.916 10.054 -5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.852 9.884 -6.931 1.00 0.00 H new ATOM 129 N THR A 9 10.207 11.693 -10.181 1.00 0.00 N ATOM 130 CA THR A 9 10.925 12.882 -10.622 1.00 0.00 C ATOM 131 C THR A 9 9.959 14.004 -10.987 1.00 0.00 C ATOM 132 O THR A 9 8.863 13.752 -11.488 1.00 0.00 O ATOM 133 CB THR A 9 11.823 12.578 -11.835 1.00 0.00 C ATOM 134 OG1 THR A 9 12.277 11.221 -11.781 1.00 0.00 O ATOM 135 CG2 THR A 9 13.019 13.517 -11.872 1.00 0.00 C ATOM 0 H THR A 9 9.484 11.373 -10.826 1.00 0.00 H new ATOM 0 HA THR A 9 11.550 13.201 -9.788 1.00 0.00 H new ATOM 0 HB THR A 9 11.235 12.728 -12.741 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.086 10.778 -12.634 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.639 13.283 -12.738 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.671 14.547 -11.943 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.606 13.395 -10.962 1.00 0.00 H new ATOM 143 N GLN A 10 10.373 15.241 -10.734 1.00 0.00 N ATOM 144 CA GLN A 10 9.543 16.401 -11.037 1.00 0.00 C ATOM 145 C GLN A 10 10.143 17.217 -12.177 1.00 0.00 C ATOM 146 O GLN A 10 11.363 17.333 -12.295 1.00 0.00 O ATOM 147 CB GLN A 10 9.383 17.279 -9.795 1.00 0.00 C ATOM 148 CG GLN A 10 10.705 17.688 -9.165 1.00 0.00 C ATOM 149 CD GLN A 10 11.210 16.674 -8.157 1.00 0.00 C ATOM 150 OE1 GLN A 10 12.013 15.801 -8.487 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.741 16.784 -6.920 1.00 0.00 N ATOM 0 H GLN A 10 11.278 15.466 -10.320 1.00 0.00 H new ATOM 0 HA GLN A 10 8.562 16.042 -11.348 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.825 18.176 -10.064 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.788 16.743 -9.056 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.451 17.818 -9.949 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.586 18.654 -8.674 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.077 17.523 -6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.045 16.130 -6.199 1.00 0.00 H new ATOM 160 N ASP A 11 9.279 17.779 -13.015 1.00 0.00 N ATOM 161 CA ASP A 11 9.723 18.585 -14.146 1.00 0.00 C ATOM 162 C ASP A 11 9.007 19.932 -14.168 1.00 0.00 C ATOM 163 O ASP A 11 8.147 20.202 -13.330 1.00 0.00 O ATOM 164 CB ASP A 11 9.476 17.840 -15.458 1.00 0.00 C ATOM 165 CG ASP A 11 9.820 16.367 -15.362 1.00 0.00 C ATOM 166 OD1 ASP A 11 9.003 15.603 -14.807 1.00 0.00 O ATOM 167 OD2 ASP A 11 10.906 15.978 -15.840 1.00 0.00 O ATOM 0 H ASP A 11 8.266 17.691 -12.932 1.00 0.00 H new ATOM 0 HA ASP A 11 10.792 18.765 -14.035 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.429 17.948 -15.742 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.070 18.298 -16.249 1.00 0.00 H new ATOM 172 N GLU A 12 9.369 20.773 -15.132 1.00 0.00 N ATOM 173 CA GLU A 12 8.762 22.093 -15.261 1.00 0.00 C ATOM 174 C GLU A 12 7.572 22.053 -16.216 1.00 0.00 C ATOM 175 O GLU A 12 7.130 23.087 -16.715 1.00 0.00 O ATOM 176 CB GLU A 12 9.794 23.107 -15.757 1.00 0.00 C ATOM 177 CG GLU A 12 10.297 22.826 -17.163 1.00 0.00 C ATOM 178 CD GLU A 12 10.994 24.021 -17.784 1.00 0.00 C ATOM 179 OE1 GLU A 12 12.224 24.148 -17.610 1.00 0.00 O ATOM 180 OE2 GLU A 12 10.308 24.831 -18.444 1.00 0.00 O ATOM 0 H GLU A 12 10.079 20.564 -15.834 1.00 0.00 H new ATOM 0 HA GLU A 12 8.407 22.399 -14.277 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.353 24.104 -15.730 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.642 23.115 -15.072 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.986 21.982 -17.136 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.457 22.532 -17.793 1.00 0.00 H new ATOM 187 N GLU A 13 7.060 20.851 -16.464 1.00 0.00 N ATOM 188 CA GLU A 13 5.923 20.677 -17.360 1.00 0.00 C ATOM 189 C GLU A 13 4.984 19.590 -16.842 1.00 0.00 C ATOM 190 O GLU A 13 3.763 19.731 -16.898 1.00 0.00 O ATOM 191 CB GLU A 13 6.404 20.321 -18.768 1.00 0.00 C ATOM 192 CG GLU A 13 7.694 19.518 -18.786 1.00 0.00 C ATOM 193 CD GLU A 13 8.114 19.121 -20.187 1.00 0.00 C ATOM 194 OE1 GLU A 13 7.305 19.295 -21.122 1.00 0.00 O ATOM 195 OE2 GLU A 13 9.254 18.636 -20.349 1.00 0.00 O ATOM 0 H GLU A 13 7.414 19.985 -16.058 1.00 0.00 H new ATOM 0 HA GLU A 13 5.376 21.619 -17.398 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.625 19.752 -19.276 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.550 21.240 -19.336 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.489 20.104 -18.325 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.567 18.620 -18.181 1.00 0.00 H new ATOM 202 N PHE A 14 5.565 18.506 -16.339 1.00 0.00 N ATOM 203 CA PHE A 14 4.782 17.394 -15.812 1.00 0.00 C ATOM 204 C PHE A 14 5.607 16.563 -14.834 1.00 0.00 C ATOM 205 O PHE A 14 6.752 16.898 -14.530 1.00 0.00 O ATOM 206 CB PHE A 14 4.281 16.509 -16.955 1.00 0.00 C ATOM 207 CG PHE A 14 5.385 15.935 -17.796 1.00 0.00 C ATOM 208 CD1 PHE A 14 5.953 16.677 -18.819 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.855 14.652 -17.565 1.00 0.00 C ATOM 210 CE1 PHE A 14 6.969 16.152 -19.595 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.872 14.122 -18.337 1.00 0.00 C ATOM 212 CZ PHE A 14 7.428 14.872 -19.354 1.00 0.00 C ATOM 0 H PHE A 14 6.575 18.374 -16.285 1.00 0.00 H new ATOM 0 HA PHE A 14 3.925 17.806 -15.278 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.690 15.693 -16.540 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.616 17.093 -17.591 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.597 17.678 -19.012 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.422 14.059 -16.773 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.403 16.742 -20.389 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.231 13.122 -18.145 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.221 14.458 -19.960 1.00 0.00 H new ATOM 222 N ILE A 15 5.016 15.478 -14.344 1.00 0.00 N ATOM 223 CA ILE A 15 5.696 14.599 -13.401 1.00 0.00 C ATOM 224 C ILE A 15 6.125 13.299 -14.073 1.00 0.00 C ATOM 225 O ILE A 15 5.401 12.748 -14.902 1.00 0.00 O ATOM 226 CB ILE A 15 4.799 14.268 -12.193 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.860 15.395 -11.161 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.219 12.946 -11.568 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.206 15.520 -10.482 1.00 0.00 C ATOM 0 H ILE A 15 4.068 15.187 -14.584 1.00 0.00 H new ATOM 0 HA ILE A 15 6.579 15.133 -13.052 1.00 0.00 H new ATOM 0 HB ILE A 15 3.770 14.173 -12.539 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.620 16.339 -11.651 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.094 15.225 -10.404 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.576 12.726 -10.716 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.128 12.149 -12.306 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.254 13.014 -11.233 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.176 16.339 -9.763 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.440 14.590 -9.963 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.973 15.721 -11.230 1.00 0.00 H new ATOM 241 N PHE A 16 7.307 12.813 -13.708 1.00 0.00 N ATOM 242 CA PHE A 16 7.833 11.577 -14.275 1.00 0.00 C ATOM 243 C PHE A 16 8.131 10.559 -13.177 1.00 0.00 C ATOM 244 O PHE A 16 9.149 10.650 -12.490 1.00 0.00 O ATOM 245 CB PHE A 16 9.102 11.860 -15.081 1.00 0.00 C ATOM 246 CG PHE A 16 9.908 10.629 -15.383 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.310 9.514 -15.947 1.00 0.00 C ATOM 248 CD2 PHE A 16 11.264 10.587 -15.100 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.049 8.380 -16.226 1.00 0.00 C ATOM 250 CE2 PHE A 16 12.008 9.456 -15.377 1.00 0.00 C ATOM 251 CZ PHE A 16 11.400 8.350 -15.940 1.00 0.00 C ATOM 0 H PHE A 16 7.918 13.256 -13.022 1.00 0.00 H new ATOM 0 HA PHE A 16 7.075 11.159 -14.938 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.827 12.343 -16.018 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.724 12.565 -14.529 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.254 9.531 -16.171 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.744 11.447 -14.658 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.571 7.518 -16.667 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.064 9.436 -15.154 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.980 7.465 -16.156 1.00 0.00 H new ATOM 261 N LEU A 17 7.236 9.590 -13.018 1.00 0.00 N ATOM 262 CA LEU A 17 7.401 8.555 -12.004 1.00 0.00 C ATOM 263 C LEU A 17 7.964 7.277 -12.618 1.00 0.00 C ATOM 264 O LEU A 17 7.397 6.725 -13.561 1.00 0.00 O ATOM 265 CB LEU A 17 6.063 8.261 -11.324 1.00 0.00 C ATOM 266 CG LEU A 17 5.880 6.840 -10.789 1.00 0.00 C ATOM 267 CD1 LEU A 17 6.892 6.548 -9.692 1.00 0.00 C ATOM 268 CD2 LEU A 17 4.462 6.643 -10.274 1.00 0.00 C ATOM 0 H LEU A 17 6.389 9.500 -13.579 1.00 0.00 H new ATOM 0 HA LEU A 17 8.107 8.920 -11.259 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.938 8.959 -10.496 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.264 8.465 -12.036 1.00 0.00 H new ATOM 0 HG LEU A 17 6.049 6.140 -11.607 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.746 5.533 -9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.901 6.648 -10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.755 7.254 -8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.350 5.626 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.265 7.352 -9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.754 6.809 -11.086 1.00 0.00 H new ATOM 280 N LYS A 18 9.083 6.809 -12.075 1.00 0.00 N ATOM 281 CA LYS A 18 9.723 5.594 -12.566 1.00 0.00 C ATOM 282 C LYS A 18 9.595 4.464 -11.549 1.00 0.00 C ATOM 283 O LYS A 18 9.761 4.675 -10.348 1.00 0.00 O ATOM 284 CB LYS A 18 11.199 5.857 -12.869 1.00 0.00 C ATOM 285 CG LYS A 18 12.129 5.502 -11.721 1.00 0.00 C ATOM 286 CD LYS A 18 13.562 5.909 -12.018 1.00 0.00 C ATOM 287 CE LYS A 18 13.690 7.414 -12.191 1.00 0.00 C ATOM 288 NZ LYS A 18 15.032 7.908 -11.773 1.00 0.00 N ATOM 0 H LYS A 18 9.566 7.253 -11.294 1.00 0.00 H new ATOM 0 HA LYS A 18 9.219 5.293 -13.484 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.488 5.284 -13.750 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.328 6.910 -13.118 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.790 5.997 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.086 4.429 -11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.211 5.579 -11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.903 5.407 -12.923 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.515 7.676 -13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.920 7.914 -11.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.080 8.938 -11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.189 7.681 -10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.766 7.450 -12.350 1.00 0.00 H new ATOM 302 N ILE A 19 9.301 3.264 -12.039 1.00 0.00 N ATOM 303 CA ILE A 19 9.154 2.101 -11.174 1.00 0.00 C ATOM 304 C ILE A 19 10.067 0.964 -11.620 1.00 0.00 C ATOM 305 O ILE A 19 10.102 0.607 -12.798 1.00 0.00 O ATOM 306 CB ILE A 19 7.699 1.596 -11.151 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.743 2.745 -10.826 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.545 0.470 -10.140 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.886 3.168 -11.999 1.00 0.00 C ATOM 0 H ILE A 19 9.160 3.072 -13.031 1.00 0.00 H new ATOM 0 HA ILE A 19 9.436 2.418 -10.170 1.00 0.00 H new ATOM 0 HB ILE A 19 7.449 1.208 -12.138 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.095 2.446 -10.002 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.322 3.602 -10.481 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.511 0.124 -10.135 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.203 -0.355 -10.412 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.810 0.834 -9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.233 3.986 -11.696 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.526 3.498 -12.817 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.281 2.324 -12.330 1.00 0.00 H new ATOM 321 N PHE A 20 10.806 0.398 -10.671 1.00 0.00 N ATOM 322 CA PHE A 20 11.719 -0.699 -10.966 1.00 0.00 C ATOM 323 C PHE A 20 11.058 -2.047 -10.691 1.00 0.00 C ATOM 324 O PHE A 20 10.467 -2.255 -9.631 1.00 0.00 O ATOM 325 CB PHE A 20 12.996 -0.566 -10.132 1.00 0.00 C ATOM 326 CG PHE A 20 13.694 0.752 -10.311 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.483 0.987 -11.426 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.560 1.756 -9.365 1.00 0.00 C ATOM 329 CE1 PHE A 20 15.127 2.199 -11.592 1.00 0.00 C ATOM 330 CE2 PHE A 20 14.201 2.969 -9.527 1.00 0.00 C ATOM 331 CZ PHE A 20 14.985 3.191 -10.642 1.00 0.00 C ATOM 0 H PHE A 20 10.790 0.681 -9.691 1.00 0.00 H new ATOM 0 HA PHE A 20 11.976 -0.649 -12.024 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.748 -0.697 -9.079 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.681 -1.370 -10.400 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.596 0.215 -12.173 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.948 1.588 -8.491 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.741 2.370 -12.464 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.089 3.743 -8.782 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.486 4.139 -10.771 1.00 0.00 H new ATOM 341 N ILE A 21 11.160 -2.956 -11.654 1.00 0.00 N ATOM 342 CA ILE A 21 10.573 -4.283 -11.517 1.00 0.00 C ATOM 343 C ILE A 21 11.364 -5.319 -12.308 1.00 0.00 C ATOM 344 O ILE A 21 12.027 -4.991 -13.292 1.00 0.00 O ATOM 345 CB ILE A 21 9.107 -4.301 -11.989 1.00 0.00 C ATOM 346 CG1 ILE A 21 9.015 -3.867 -13.454 1.00 0.00 C ATOM 347 CG2 ILE A 21 8.255 -3.399 -11.109 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.638 -4.049 -14.052 1.00 0.00 C ATOM 0 H ILE A 21 11.644 -2.798 -12.538 1.00 0.00 H new ATOM 0 HA ILE A 21 10.608 -4.536 -10.457 1.00 0.00 H new ATOM 0 HB ILE A 21 8.727 -5.319 -11.906 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.301 -2.818 -13.532 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.735 -4.438 -14.040 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.222 -3.423 -11.456 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.300 -3.749 -10.078 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.632 -2.378 -11.162 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.647 -3.721 -15.092 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.357 -5.101 -14.006 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.916 -3.456 -13.490 1.00 0.00 H new ATOM 492 N LEU A 31 -2.740 -3.931 -16.621 1.00 0.00 N ATOM 493 CA LEU A 31 -2.030 -2.658 -16.660 1.00 0.00 C ATOM 494 C LEU A 31 -2.990 -1.508 -16.948 1.00 0.00 C ATOM 495 O LEU A 31 -3.643 -1.479 -17.990 1.00 0.00 O ATOM 496 CB LEU A 31 -0.930 -2.697 -17.723 1.00 0.00 C ATOM 497 CG LEU A 31 -0.129 -3.997 -17.812 1.00 0.00 C ATOM 498 CD1 LEU A 31 0.987 -3.866 -18.836 1.00 0.00 C ATOM 499 CD2 LEU A 31 0.436 -4.369 -16.449 1.00 0.00 C ATOM 0 HA LEU A 31 -1.577 -2.493 -15.683 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.385 -2.507 -18.695 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.236 -1.879 -17.530 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.799 -4.794 -18.135 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.546 -4.800 -18.886 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.559 -3.646 -19.814 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.657 -3.057 -18.543 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.003 -5.296 -16.531 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.092 -3.573 -16.097 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.382 -4.505 -15.741 1.00 0.00 H new ATOM 511 N GLU A 32 -3.067 -0.561 -16.018 1.00 0.00 N ATOM 512 CA GLU A 32 -3.946 0.592 -16.173 1.00 0.00 C ATOM 513 C GLU A 32 -3.827 1.532 -14.977 1.00 0.00 C ATOM 514 O GLU A 32 -4.561 1.402 -13.997 1.00 0.00 O ATOM 515 CB GLU A 32 -5.398 0.136 -16.336 1.00 0.00 C ATOM 516 CG GLU A 32 -5.974 0.420 -17.712 1.00 0.00 C ATOM 517 CD GLU A 32 -6.253 1.894 -17.935 1.00 0.00 C ATOM 518 OE1 GLU A 32 -7.303 2.377 -17.462 1.00 0.00 O ATOM 519 OE2 GLU A 32 -5.422 2.564 -18.583 1.00 0.00 O ATOM 0 H GLU A 32 -2.532 -0.570 -15.150 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.640 1.132 -17.069 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.458 -0.935 -16.140 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.012 0.632 -15.585 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.278 0.067 -18.473 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.898 -0.144 -17.838 1.00 0.00 H new ATOM 526 N ILE A 33 -2.898 2.477 -15.065 1.00 0.00 N ATOM 527 CA ILE A 33 -2.683 3.439 -13.991 1.00 0.00 C ATOM 528 C ILE A 33 -3.680 4.589 -14.075 1.00 0.00 C ATOM 529 O ILE A 33 -3.893 5.162 -15.145 1.00 0.00 O ATOM 530 CB ILE A 33 -1.253 4.010 -14.024 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.226 2.879 -13.920 1.00 0.00 C ATOM 532 CG2 ILE A 33 -1.057 5.014 -12.898 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.205 3.348 -14.062 1.00 0.00 C ATOM 0 H ILE A 33 -2.282 2.597 -15.869 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.829 2.903 -13.053 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.105 4.524 -14.974 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.343 2.380 -12.958 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.435 2.137 -14.691 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.042 5.408 -12.935 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.768 5.832 -13.012 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.220 4.522 -11.939 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.878 2.494 -13.978 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.338 3.821 -15.035 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.432 4.067 -13.275 1.00 0.00 H new ATOM 545 N ILE A 34 -4.286 4.924 -12.942 1.00 0.00 N ATOM 546 CA ILE A 34 -5.258 6.009 -12.887 1.00 0.00 C ATOM 547 C ILE A 34 -4.862 7.050 -11.846 1.00 0.00 C ATOM 548 O ILE A 34 -4.407 6.709 -10.754 1.00 0.00 O ATOM 549 CB ILE A 34 -6.669 5.485 -12.562 1.00 0.00 C ATOM 550 CG1 ILE A 34 -7.660 6.647 -12.468 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.653 4.689 -11.265 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.867 7.151 -11.057 1.00 0.00 C ATOM 0 H ILE A 34 -4.121 4.460 -12.049 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.270 6.472 -13.874 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.989 4.824 -13.367 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.305 7.468 -13.090 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.619 6.330 -12.876 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.658 4.325 -11.049 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.974 3.842 -11.366 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.315 5.329 -10.450 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.581 7.974 -11.066 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.252 6.343 -10.435 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.917 7.499 -10.652 1.00 0.00 H new ATOM 564 N ILE A 35 -5.041 8.321 -12.190 1.00 0.00 N ATOM 565 CA ILE A 35 -4.706 9.412 -11.284 1.00 0.00 C ATOM 566 C ILE A 35 -5.957 9.987 -10.629 1.00 0.00 C ATOM 567 O ILE A 35 -6.932 10.308 -11.307 1.00 0.00 O ATOM 568 CB ILE A 35 -3.957 10.542 -12.015 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.691 9.998 -12.681 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.613 11.663 -11.047 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.730 10.056 -14.192 1.00 0.00 C ATOM 0 H ILE A 35 -5.416 8.620 -13.090 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.056 8.995 -10.515 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.608 10.946 -12.791 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.831 10.566 -12.326 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.542 8.964 -12.369 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.084 12.454 -11.579 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.530 12.066 -10.616 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.978 11.274 -10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.801 9.654 -14.596 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.570 9.465 -14.557 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.848 11.091 -14.513 1.00 0.00 H new ATOM 583 N GLN A 36 -5.920 10.116 -9.306 1.00 0.00 N ATOM 584 CA GLN A 36 -7.051 10.654 -8.560 1.00 0.00 C ATOM 585 C GLN A 36 -7.145 12.167 -8.730 1.00 0.00 C ATOM 586 O GLN A 36 -6.433 12.755 -9.543 1.00 0.00 O ATOM 587 CB GLN A 36 -6.923 10.303 -7.076 1.00 0.00 C ATOM 588 CG GLN A 36 -7.979 9.323 -6.590 1.00 0.00 C ATOM 589 CD GLN A 36 -9.390 9.847 -6.773 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.649 11.039 -6.602 1.00 0.00 O ATOM 591 NE2 GLN A 36 -10.311 8.957 -7.122 1.00 0.00 N ATOM 0 H GLN A 36 -5.120 9.855 -8.730 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.962 10.205 -8.956 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.935 9.879 -6.895 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.990 11.218 -6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.872 8.382 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.810 9.106 -5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.052 7.979 -7.253 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.278 9.251 -7.259 1.00 0.00 H new ATOM 600 N GLU A 37 -8.029 12.791 -7.958 1.00 0.00 N ATOM 601 CA GLU A 37 -8.217 14.235 -8.025 1.00 0.00 C ATOM 602 C GLU A 37 -6.886 14.965 -7.866 1.00 0.00 C ATOM 603 O GLU A 37 -6.662 16.009 -8.477 1.00 0.00 O ATOM 604 CB GLU A 37 -9.196 14.695 -6.943 1.00 0.00 C ATOM 605 CG GLU A 37 -8.978 14.022 -5.598 1.00 0.00 C ATOM 606 CD GLU A 37 -9.252 14.949 -4.430 1.00 0.00 C ATOM 607 OE1 GLU A 37 -9.824 16.035 -4.656 1.00 0.00 O ATOM 608 OE2 GLU A 37 -8.895 14.586 -3.290 1.00 0.00 O ATOM 0 H GLU A 37 -8.626 12.319 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.630 14.477 -9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.106 15.774 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.214 14.497 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.626 13.149 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.951 13.662 -5.538 1.00 0.00 H new ATOM 615 N ASN A 38 -6.007 14.407 -7.041 1.00 0.00 N ATOM 616 CA ASN A 38 -4.699 15.004 -6.800 1.00 0.00 C ATOM 617 C ASN A 38 -3.614 13.933 -6.740 1.00 0.00 C ATOM 618 O ASN A 38 -2.595 14.028 -7.424 1.00 0.00 O ATOM 619 CB ASN A 38 -4.713 15.805 -5.496 1.00 0.00 C ATOM 620 CG ASN A 38 -5.252 15.000 -4.329 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.460 14.800 -4.204 1.00 0.00 O ATOM 622 ND2 ASN A 38 -4.355 14.534 -3.467 1.00 0.00 N ATOM 0 H ASN A 38 -6.177 13.542 -6.528 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.476 15.676 -7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.701 16.139 -5.267 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.321 16.700 -5.629 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.658 13.986 -2.662 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.363 14.724 -3.610 1.00 0.00 H new ATOM 629 N MET A 39 -3.841 12.913 -5.918 1.00 0.00 N ATOM 630 CA MET A 39 -2.884 11.823 -5.771 1.00 0.00 C ATOM 631 C MET A 39 -2.940 10.885 -6.973 1.00 0.00 C ATOM 632 O MET A 39 -3.851 10.970 -7.796 1.00 0.00 O ATOM 633 CB MET A 39 -3.163 11.041 -4.486 1.00 0.00 C ATOM 634 CG MET A 39 -3.857 9.709 -4.723 1.00 0.00 C ATOM 635 SD MET A 39 -4.511 8.987 -3.206 1.00 0.00 S ATOM 636 CE MET A 39 -3.009 8.787 -2.252 1.00 0.00 C ATOM 0 H MET A 39 -4.679 12.819 -5.344 1.00 0.00 H new ATOM 0 HA MET A 39 -1.885 12.255 -5.715 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.221 10.863 -3.967 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.780 11.651 -3.826 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.671 9.849 -5.434 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.153 9.013 -5.178 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.189 8.092 -1.432 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.220 8.395 -2.894 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.703 9.752 -1.849 1.00 0.00 H new ATOM 646 N ILE A 40 -1.959 9.993 -7.067 1.00 0.00 N ATOM 647 CA ILE A 40 -1.898 9.040 -8.168 1.00 0.00 C ATOM 648 C ILE A 40 -2.027 7.607 -7.663 1.00 0.00 C ATOM 649 O ILE A 40 -1.411 7.233 -6.664 1.00 0.00 O ATOM 650 CB ILE A 40 -0.583 9.177 -8.959 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.528 10.531 -9.669 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.447 8.041 -9.962 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.771 10.777 -10.403 1.00 0.00 C ATOM 0 H ILE A 40 -1.197 9.911 -6.395 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.735 9.267 -8.828 1.00 0.00 H new ATOM 0 HB ILE A 40 0.251 9.120 -8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.354 10.594 -10.378 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.677 11.323 -8.935 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.487 8.152 -10.513 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.446 7.088 -9.434 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.285 8.069 -10.659 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.738 11.755 -10.882 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.600 10.747 -9.696 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.912 10.006 -11.161 1.00 0.00 H new ATOM 665 N ILE A 41 -2.829 6.810 -8.360 1.00 0.00 N ATOM 666 CA ILE A 41 -3.036 5.417 -7.983 1.00 0.00 C ATOM 667 C ILE A 41 -2.339 4.474 -8.958 1.00 0.00 C ATOM 668 O ILE A 41 -2.627 4.478 -10.155 1.00 0.00 O ATOM 669 CB ILE A 41 -4.535 5.065 -7.929 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.263 5.990 -6.952 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.723 3.609 -7.529 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.707 5.944 -5.547 1.00 0.00 C ATOM 0 H ILE A 41 -3.346 7.104 -9.188 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.605 5.292 -6.989 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.963 5.207 -8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.206 7.013 -7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.318 5.718 -6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.787 3.375 -7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.233 2.965 -8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.284 3.442 -6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.272 6.625 -4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.788 4.930 -5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.659 6.245 -5.560 1.00 0.00 H new ATOM 684 N PHE A 42 -1.421 3.667 -8.437 1.00 0.00 N ATOM 685 CA PHE A 42 -0.682 2.717 -9.261 1.00 0.00 C ATOM 686 C PHE A 42 -1.336 1.339 -9.222 1.00 0.00 C ATOM 687 O PHE A 42 -1.217 0.611 -8.236 1.00 0.00 O ATOM 688 CB PHE A 42 0.769 2.619 -8.787 1.00 0.00 C ATOM 689 CG PHE A 42 1.570 1.581 -9.520 1.00 0.00 C ATOM 690 CD1 PHE A 42 2.074 1.841 -10.784 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.819 0.345 -8.944 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.812 0.888 -11.461 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.557 -0.611 -9.616 1.00 0.00 C ATOM 694 CZ PHE A 42 3.053 -0.340 -10.876 1.00 0.00 C ATOM 0 H PHE A 42 -1.171 3.652 -7.448 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.697 3.078 -10.289 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.249 3.590 -8.909 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.780 2.390 -7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.888 2.799 -11.246 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.432 0.127 -7.960 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.200 1.103 -12.446 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.746 -1.570 -9.156 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.628 -1.087 -11.403 1.00 0.00 H new ATOM 704 N HIS A 43 -2.028 0.988 -10.301 1.00 0.00 N ATOM 705 CA HIS A 43 -2.702 -0.303 -10.391 1.00 0.00 C ATOM 706 C HIS A 43 -1.913 -1.267 -11.272 1.00 0.00 C ATOM 707 O HIS A 43 -2.108 -2.482 -11.211 1.00 0.00 O ATOM 708 CB HIS A 43 -4.116 -0.127 -10.945 1.00 0.00 C ATOM 709 CG HIS A 43 -5.144 -0.952 -10.236 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.501 -0.748 -10.377 1.00 0.00 N ATOM 711 CD2 HIS A 43 -5.009 -1.989 -9.376 1.00 0.00 C ATOM 712 CE1 HIS A 43 -7.155 -1.623 -9.634 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.273 -2.388 -9.017 1.00 0.00 N ATOM 0 H HIS A 43 -2.137 1.579 -11.125 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.764 -0.724 -9.387 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.396 0.924 -10.877 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.118 -0.389 -12.003 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.080 -2.422 -9.036 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.229 -1.700 -9.546 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.495 -3.151 -8.378 1.00 0.00 H new ATOM 721 N LEU A 44 -1.023 -0.718 -12.091 1.00 0.00 N ATOM 722 CA LEU A 44 -0.205 -1.530 -12.986 1.00 0.00 C ATOM 723 C LEU A 44 0.552 -2.602 -12.210 1.00 0.00 C ATOM 724 O LEU A 44 0.820 -2.447 -11.018 1.00 0.00 O ATOM 725 CB LEU A 44 0.781 -0.645 -13.750 1.00 0.00 C ATOM 726 CG LEU A 44 1.038 -1.029 -15.208 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.203 0.215 -16.067 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.267 -1.920 -15.316 1.00 0.00 C ATOM 0 H LEU A 44 -0.849 0.285 -12.154 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.868 -2.023 -13.697 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.412 0.380 -13.725 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.733 -0.655 -13.220 1.00 0.00 H new ATOM 0 HG LEU A 44 0.176 -1.586 -15.574 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.385 -0.078 -17.101 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.295 0.816 -16.015 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.047 0.800 -15.702 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.435 -2.183 -16.360 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.137 -1.388 -14.932 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.111 -2.828 -14.733 1.00 0.00 H new ATOM 740 N SER A 45 0.897 -3.688 -12.894 1.00 0.00 N ATOM 741 CA SER A 45 1.623 -4.787 -12.268 1.00 0.00 C ATOM 742 C SER A 45 0.788 -5.431 -11.165 1.00 0.00 C ATOM 743 O SER A 45 -0.228 -4.892 -10.725 1.00 0.00 O ATOM 744 CB SER A 45 2.950 -4.288 -11.693 1.00 0.00 C ATOM 745 OG SER A 45 3.000 -4.477 -10.289 1.00 0.00 O ATOM 0 H SER A 45 0.686 -3.831 -13.882 1.00 0.00 H new ATOM 0 HA SER A 45 1.826 -5.538 -13.032 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.777 -4.819 -12.164 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.076 -3.231 -11.926 1.00 0.00 H new ATOM 0 HG SER A 45 3.846 -4.909 -10.047 1.00 0.00 H new ATOM 751 N PRO A 46 1.224 -6.614 -10.708 1.00 0.00 N ATOM 752 CA PRO A 46 0.533 -7.359 -9.651 1.00 0.00 C ATOM 753 C PRO A 46 0.651 -6.679 -8.291 1.00 0.00 C ATOM 754 O PRO A 46 0.040 -7.113 -7.314 1.00 0.00 O ATOM 755 CB PRO A 46 1.254 -8.709 -9.638 1.00 0.00 C ATOM 756 CG PRO A 46 2.611 -8.419 -10.181 1.00 0.00 C ATOM 757 CD PRO A 46 2.427 -7.316 -11.187 1.00 0.00 C ATOM 0 HA PRO A 46 -0.538 -7.435 -9.839 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.310 -9.118 -8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.731 -9.443 -10.251 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.292 -8.113 -9.387 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.042 -9.305 -10.647 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.292 -6.654 -11.220 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.288 -7.710 -12.194 1.00 0.00 H new ATOM 765 N TYR A 47 1.439 -5.611 -8.235 1.00 0.00 N ATOM 766 CA TYR A 47 1.638 -4.872 -6.994 1.00 0.00 C ATOM 767 C TYR A 47 0.953 -3.510 -7.055 1.00 0.00 C ATOM 768 O TYR A 47 1.142 -2.749 -8.005 1.00 0.00 O ATOM 769 CB TYR A 47 3.131 -4.693 -6.716 1.00 0.00 C ATOM 770 CG TYR A 47 3.937 -5.960 -6.896 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.493 -7.169 -6.374 1.00 0.00 C ATOM 772 CD2 TYR A 47 5.142 -5.948 -7.587 1.00 0.00 C ATOM 773 CE1 TYR A 47 4.226 -8.328 -6.535 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.881 -7.103 -7.754 1.00 0.00 C ATOM 775 CZ TYR A 47 5.419 -8.291 -7.226 1.00 0.00 C ATOM 776 OH TYR A 47 6.152 -9.444 -7.389 1.00 0.00 O ATOM 0 H TYR A 47 1.950 -5.238 -9.035 1.00 0.00 H new ATOM 0 HA TYR A 47 1.191 -5.447 -6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.526 -3.924 -7.380 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.261 -4.331 -5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.559 -7.203 -5.833 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.507 -5.020 -8.001 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.867 -9.259 -6.122 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.815 -7.076 -8.295 1.00 0.00 H new ATOM 0 HH TYR A 47 6.965 -9.246 -7.900 1.00 0.00 H new ATOM 786 N TYR A 48 0.158 -3.209 -6.035 1.00 0.00 N ATOM 787 CA TYR A 48 -0.557 -1.939 -5.972 1.00 0.00 C ATOM 788 C TYR A 48 0.238 -0.905 -5.180 1.00 0.00 C ATOM 789 O TYR A 48 0.739 -1.191 -4.091 1.00 0.00 O ATOM 790 CB TYR A 48 -1.934 -2.137 -5.336 1.00 0.00 C ATOM 791 CG TYR A 48 -2.724 -0.855 -5.192 1.00 0.00 C ATOM 792 CD1 TYR A 48 -2.607 -0.069 -4.053 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.585 -0.431 -6.196 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.328 1.102 -3.917 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.308 0.740 -6.070 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.176 1.502 -4.928 1.00 0.00 C ATOM 797 OH TYR A 48 -4.895 2.669 -4.797 1.00 0.00 O ATOM 0 H TYR A 48 -0.008 -3.826 -5.240 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.684 -1.571 -6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.506 -2.841 -5.940 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.809 -2.590 -4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.942 -0.378 -3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.691 -1.027 -7.091 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.228 1.701 -3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.972 1.056 -6.861 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.746 2.585 -5.276 1.00 0.00 H new ATOM 807 N LEU A 49 0.348 0.297 -5.734 1.00 0.00 N ATOM 808 CA LEU A 49 1.081 1.376 -5.080 1.00 0.00 C ATOM 809 C LEU A 49 0.234 2.642 -5.005 1.00 0.00 C ATOM 810 O LEU A 49 -0.516 2.954 -5.930 1.00 0.00 O ATOM 811 CB LEU A 49 2.383 1.663 -5.831 1.00 0.00 C ATOM 812 CG LEU A 49 3.630 1.850 -4.966 1.00 0.00 C ATOM 813 CD1 LEU A 49 4.818 2.256 -5.823 1.00 0.00 C ATOM 814 CD2 LEU A 49 3.374 2.885 -3.879 1.00 0.00 C ATOM 0 H LEU A 49 -0.061 0.549 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 49 1.317 1.058 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.567 0.843 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.243 2.563 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 49 3.863 0.899 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.696 2.385 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.015 1.480 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.596 3.195 -6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.272 3.006 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.116 3.839 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.551 2.552 -3.246 1.00 0.00 H new ATOM 826 N ARG A 50 0.362 3.369 -3.900 1.00 0.00 N ATOM 827 CA ARG A 50 -0.392 4.602 -3.705 1.00 0.00 C ATOM 828 C ARG A 50 0.548 5.782 -3.473 1.00 0.00 C ATOM 829 O ARG A 50 1.311 5.801 -2.506 1.00 0.00 O ATOM 830 CB ARG A 50 -1.349 4.458 -2.521 1.00 0.00 C ATOM 831 CG ARG A 50 -2.385 5.567 -2.437 1.00 0.00 C ATOM 832 CD ARG A 50 -3.794 5.029 -2.627 1.00 0.00 C ATOM 833 NE ARG A 50 -4.255 4.279 -1.462 1.00 0.00 N ATOM 834 CZ ARG A 50 -4.750 4.849 -0.369 1.00 0.00 C ATOM 835 NH1 ARG A 50 -4.848 6.169 -0.293 1.00 0.00 N ATOM 836 NH2 ARG A 50 -5.149 4.099 0.650 1.00 0.00 N ATOM 0 H ARG A 50 0.980 3.126 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.970 4.792 -4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.861 3.499 -2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.771 4.442 -1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.311 6.063 -1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.176 6.320 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.476 5.858 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.821 4.385 -3.506 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.194 3.261 -1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.543 6.749 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.228 6.605 0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.076 3.083 0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.529 4.538 1.489 1.00 0.00 H new ATOM 850 N LEU A 51 0.487 6.764 -4.366 1.00 0.00 N ATOM 851 CA LEU A 51 1.333 7.948 -4.259 1.00 0.00 C ATOM 852 C LEU A 51 0.512 9.169 -3.856 1.00 0.00 C ATOM 853 O LEU A 51 -0.454 9.529 -4.529 1.00 0.00 O ATOM 854 CB LEU A 51 2.043 8.213 -5.587 1.00 0.00 C ATOM 855 CG LEU A 51 3.113 7.197 -5.990 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.743 7.584 -7.320 1.00 0.00 C ATOM 857 CD2 LEU A 51 4.177 7.085 -4.907 1.00 0.00 C ATOM 0 H LEU A 51 -0.139 6.764 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 51 2.079 7.763 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.292 8.252 -6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.506 9.199 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 51 2.637 6.223 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.502 6.850 -7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.974 7.613 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.205 8.567 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.930 6.358 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.649 8.056 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.715 6.761 -3.975 1.00 0.00 H new ATOM 869 N ARG A 52 0.904 9.802 -2.756 1.00 0.00 N ATOM 870 CA ARG A 52 0.205 10.984 -2.264 1.00 0.00 C ATOM 871 C ARG A 52 1.137 12.191 -2.228 1.00 0.00 C ATOM 872 O ARG A 52 1.978 12.313 -1.337 1.00 0.00 O ATOM 873 CB ARG A 52 -0.363 10.722 -0.868 1.00 0.00 C ATOM 874 CG ARG A 52 -1.503 11.653 -0.490 1.00 0.00 C ATOM 875 CD ARG A 52 -0.987 12.937 0.141 1.00 0.00 C ATOM 876 NE ARG A 52 -0.300 12.689 1.405 1.00 0.00 N ATOM 877 CZ ARG A 52 -0.930 12.481 2.556 1.00 0.00 C ATOM 878 NH1 ARG A 52 -2.255 12.491 2.601 1.00 0.00 N ATOM 879 NH2 ARG A 52 -0.234 12.261 3.664 1.00 0.00 N ATOM 0 H ARG A 52 1.702 9.517 -2.188 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.616 11.201 -2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.714 9.691 -0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.437 10.824 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.089 11.892 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.172 11.147 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.305 13.432 -0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.821 13.618 0.309 1.00 0.00 H new ATOM 0 HE ARG A 52 0.720 12.675 1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.793 12.659 1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.736 12.331 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.785 12.252 3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.718 12.101 4.547 1.00 0.00 H new ATOM 893 N PHE A 53 0.983 13.081 -3.202 1.00 0.00 N ATOM 894 CA PHE A 53 1.811 14.278 -3.283 1.00 0.00 C ATOM 895 C PHE A 53 1.113 15.468 -2.630 1.00 0.00 C ATOM 896 O PHE A 53 -0.113 15.518 -2.522 1.00 0.00 O ATOM 897 CB PHE A 53 2.137 14.602 -4.742 1.00 0.00 C ATOM 898 CG PHE A 53 2.671 13.427 -5.512 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.423 12.451 -4.878 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.420 13.299 -6.868 1.00 0.00 C ATOM 901 CE1 PHE A 53 3.915 11.369 -5.583 1.00 0.00 C ATOM 902 CE2 PHE A 53 2.909 12.219 -7.578 1.00 0.00 C ATOM 903 CZ PHE A 53 3.659 11.254 -6.935 1.00 0.00 C ATOM 0 H PHE A 53 0.292 12.996 -3.947 1.00 0.00 H new ATOM 0 HA PHE A 53 2.739 14.083 -2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.237 14.970 -5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.869 15.409 -4.772 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.627 12.537 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.836 14.052 -7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.499 10.614 -5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.705 12.130 -8.635 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.045 10.411 -7.489 1.00 0.00 H new ATOM 913 N PRO A 54 1.910 16.450 -2.184 1.00 0.00 N ATOM 914 CA PRO A 54 1.392 17.657 -1.534 1.00 0.00 C ATOM 915 C PRO A 54 0.652 18.568 -2.509 1.00 0.00 C ATOM 916 O PRO A 54 0.039 19.557 -2.106 1.00 0.00 O ATOM 917 CB PRO A 54 2.653 18.347 -1.010 1.00 0.00 C ATOM 918 CG PRO A 54 3.747 17.864 -1.899 1.00 0.00 C ATOM 919 CD PRO A 54 3.380 16.457 -2.279 1.00 0.00 C ATOM 0 HA PRO A 54 0.665 17.421 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.558 19.432 -1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.844 18.085 0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.839 18.495 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.708 17.892 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.719 16.211 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.830 15.728 -1.605 1.00 0.00 H new ATOM 927 N HIS A 55 0.714 18.228 -3.792 1.00 0.00 N ATOM 928 CA HIS A 55 0.049 19.015 -4.824 1.00 0.00 C ATOM 929 C HIS A 55 -1.101 18.231 -5.449 1.00 0.00 C ATOM 930 O HIS A 55 -1.453 17.149 -4.980 1.00 0.00 O ATOM 931 CB HIS A 55 1.049 19.425 -5.906 1.00 0.00 C ATOM 932 CG HIS A 55 2.146 20.311 -5.403 1.00 0.00 C ATOM 933 ND1 HIS A 55 2.067 21.687 -5.414 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.353 20.009 -4.870 1.00 0.00 C ATOM 935 CE1 HIS A 55 3.179 22.194 -4.911 1.00 0.00 C ATOM 936 NE2 HIS A 55 3.976 21.197 -4.573 1.00 0.00 N ATOM 0 H HIS A 55 1.218 17.413 -4.142 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.358 19.912 -4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.489 18.528 -6.341 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.516 19.939 -6.706 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.752 19.019 -4.708 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.399 23.245 -4.796 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.903 21.293 -4.159 1.00 0.00 H new ATOM 944 N GLU A 56 -1.683 18.785 -6.508 1.00 0.00 N ATOM 945 CA GLU A 56 -2.794 18.137 -7.194 1.00 0.00 C ATOM 946 C GLU A 56 -2.495 17.975 -8.682 1.00 0.00 C ATOM 947 O GLU A 56 -2.208 18.949 -9.379 1.00 0.00 O ATOM 948 CB GLU A 56 -4.079 18.946 -7.007 1.00 0.00 C ATOM 949 CG GLU A 56 -3.879 20.446 -7.138 1.00 0.00 C ATOM 950 CD GLU A 56 -3.404 21.086 -5.847 1.00 0.00 C ATOM 951 OE1 GLU A 56 -3.963 20.757 -4.781 1.00 0.00 O ATOM 952 OE2 GLU A 56 -2.472 21.916 -5.905 1.00 0.00 O ATOM 0 H GLU A 56 -1.404 19.680 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.929 17.147 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.814 18.620 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.495 18.728 -6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.153 20.645 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.817 20.909 -7.445 1.00 0.00 H new ATOM 959 N LEU A 57 -2.563 16.738 -9.161 1.00 0.00 N ATOM 960 CA LEU A 57 -2.299 16.446 -10.566 1.00 0.00 C ATOM 961 C LEU A 57 -3.600 16.220 -11.329 1.00 0.00 C ATOM 962 O LEU A 57 -4.679 16.184 -10.738 1.00 0.00 O ATOM 963 CB LEU A 57 -1.400 15.214 -10.691 1.00 0.00 C ATOM 964 CG LEU A 57 -0.134 15.217 -9.833 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.201 13.807 -9.374 1.00 0.00 C ATOM 966 CD2 LEU A 57 1.031 15.820 -10.604 1.00 0.00 C ATOM 0 H LEU A 57 -2.799 15.921 -8.598 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.789 17.306 -11.001 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.987 14.333 -10.433 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.107 15.107 -11.735 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.316 15.831 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.105 13.828 -8.765 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.625 13.410 -8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.364 13.170 -10.244 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.923 15.814 -9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.215 15.233 -11.504 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.790 16.846 -10.883 1.00 0.00 H new ATOM 978 N ILE A 58 -3.489 16.066 -12.644 1.00 0.00 N ATOM 979 CA ILE A 58 -4.657 15.840 -13.488 1.00 0.00 C ATOM 980 C ILE A 58 -4.382 14.760 -14.528 1.00 0.00 C ATOM 981 O ILE A 58 -3.271 14.650 -15.046 1.00 0.00 O ATOM 982 CB ILE A 58 -5.090 17.131 -14.207 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.287 16.855 -15.120 1.00 0.00 C ATOM 984 CG2 ILE A 58 -3.930 17.708 -15.004 1.00 0.00 C ATOM 985 CD1 ILE A 58 -6.822 18.093 -15.805 1.00 0.00 C ATOM 0 H ILE A 58 -2.603 16.093 -13.148 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.463 15.512 -12.831 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.390 17.864 -13.458 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.996 16.127 -15.878 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.085 16.401 -14.532 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.252 18.620 -15.506 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.104 17.937 -14.331 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.602 16.981 -15.747 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.669 17.823 -16.436 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.145 18.814 -15.054 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.039 18.536 -16.420 1.00 0.00 H new ATOM 997 N ASP A 59 -5.403 13.965 -14.830 1.00 0.00 N ATOM 998 CA ASP A 59 -5.274 12.894 -15.812 1.00 0.00 C ATOM 999 C ASP A 59 -5.894 13.301 -17.145 1.00 0.00 C ATOM 1000 O ASP A 59 -7.116 13.343 -17.285 1.00 0.00 O ATOM 1001 CB ASP A 59 -5.937 11.617 -15.295 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.340 10.679 -16.416 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.535 10.492 -17.352 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.461 10.131 -16.357 1.00 0.00 O ATOM 0 H ASP A 59 -6.329 14.042 -14.409 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.212 12.704 -15.969 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.251 11.102 -14.623 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.819 11.880 -14.711 1.00 0.00 H new ATOM 1009 N ASP A 60 -5.043 13.600 -18.120 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.508 14.004 -19.442 1.00 0.00 C ATOM 1011 C ASP A 60 -5.091 12.985 -20.499 1.00 0.00 C ATOM 1012 O ASP A 60 -4.632 11.891 -20.173 1.00 0.00 O ATOM 1013 CB ASP A 60 -4.955 15.384 -19.801 1.00 0.00 C ATOM 1014 CG ASP A 60 -5.977 16.249 -20.513 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -7.158 16.228 -20.109 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.594 16.948 -21.475 1.00 0.00 O ATOM 0 H ASP A 60 -4.028 13.570 -18.020 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.597 14.052 -19.418 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.626 15.888 -18.892 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.077 15.267 -20.436 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.255 13.353 -21.766 1.00 0.00 N ATOM 1022 CA GLU A 61 -4.898 12.470 -22.870 1.00 0.00 C ATOM 1023 C GLU A 61 -3.387 12.263 -22.933 1.00 0.00 C ATOM 1024 O GLU A 61 -2.911 11.225 -23.393 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.400 13.045 -24.196 1.00 0.00 C ATOM 1026 CG GLU A 61 -4.696 14.326 -24.610 1.00 0.00 C ATOM 1027 CD GLU A 61 -5.229 14.890 -25.912 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -6.335 15.471 -25.898 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -4.542 14.750 -26.945 1.00 0.00 O ATOM 0 H GLU A 61 -5.633 14.256 -22.053 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.374 11.505 -22.698 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.268 12.298 -24.979 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.470 13.238 -24.117 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.811 15.070 -23.822 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.628 14.133 -24.712 1.00 0.00 H new ATOM 1036 N ARG A 62 -2.639 13.258 -22.468 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.183 13.186 -22.473 1.00 0.00 C ATOM 1038 C ARG A 62 -0.685 12.173 -21.447 1.00 0.00 C ATOM 1039 O ARG A 62 0.347 11.531 -21.643 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.582 14.562 -22.180 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.201 15.253 -20.977 1.00 0.00 C ATOM 1042 CD ARG A 62 -1.878 16.557 -21.370 1.00 0.00 C ATOM 1043 NE ARG A 62 -0.990 17.706 -21.206 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.289 18.240 -22.199 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -0.371 17.733 -23.421 1.00 0.00 N ATOM 1046 NH2 ARG A 62 0.497 19.285 -21.970 1.00 0.00 N ATOM 0 H ARG A 62 -3.017 14.124 -22.083 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.864 12.861 -23.463 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.490 14.453 -22.014 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.706 15.197 -23.057 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.929 14.590 -20.510 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.429 15.452 -20.234 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.205 16.497 -22.408 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.771 16.699 -20.762 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.904 18.120 -20.278 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.974 16.930 -23.601 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.169 18.146 -24.182 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.562 19.678 -21.031 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.035 19.695 -22.733 1.00 0.00 H new ATOM 1060 N SER A 63 -1.426 12.035 -20.352 1.00 0.00 N ATOM 1061 CA SER A 63 -1.057 11.103 -19.292 1.00 0.00 C ATOM 1062 C SER A 63 -1.029 9.670 -19.815 1.00 0.00 C ATOM 1063 O SER A 63 -1.957 9.223 -20.488 1.00 0.00 O ATOM 1064 CB SER A 63 -2.039 11.213 -18.124 1.00 0.00 C ATOM 1065 OG SER A 63 -3.096 10.279 -18.257 1.00 0.00 O ATOM 0 H SER A 63 -2.285 12.556 -20.175 1.00 0.00 H new ATOM 0 HA SER A 63 -0.058 11.364 -18.943 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.513 11.040 -17.185 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.446 12.223 -18.081 1.00 0.00 H new ATOM 0 HG SER A 63 -3.903 10.635 -17.829 1.00 0.00 H new ATOM 1071 N THR A 64 0.045 8.953 -19.499 1.00 0.00 N ATOM 1072 CA THR A 64 0.198 7.571 -19.936 1.00 0.00 C ATOM 1073 C THR A 64 1.496 6.968 -19.412 1.00 0.00 C ATOM 1074 O THR A 64 2.398 7.688 -18.985 1.00 0.00 O ATOM 1075 CB THR A 64 0.178 7.463 -21.473 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.380 6.102 -21.870 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.254 8.342 -22.091 1.00 0.00 C ATOM 0 H THR A 64 0.822 9.307 -18.941 1.00 0.00 H new ATOM 0 HA THR A 64 -0.647 7.015 -19.529 1.00 0.00 H new ATOM 0 HB THR A 64 -0.795 7.804 -21.827 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.364 6.041 -22.848 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.221 8.249 -23.177 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.081 9.381 -21.810 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.233 8.027 -21.730 1.00 0.00 H new ATOM 1085 N ALA A 65 1.584 5.642 -19.448 1.00 0.00 N ATOM 1086 CA ALA A 65 2.774 4.943 -18.979 1.00 0.00 C ATOM 1087 C ALA A 65 3.321 4.009 -20.053 1.00 0.00 C ATOM 1088 O ALA A 65 2.559 3.385 -20.792 1.00 0.00 O ATOM 1089 CB ALA A 65 2.463 4.166 -17.709 1.00 0.00 C ATOM 0 H ALA A 65 0.846 5.031 -19.797 1.00 0.00 H new ATOM 0 HA ALA A 65 3.539 5.687 -18.758 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.361 3.649 -17.370 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.127 4.855 -16.934 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.679 3.437 -17.912 1.00 0.00 H new ATOM 1095 N GLN A 66 4.644 3.917 -20.134 1.00 0.00 N ATOM 1096 CA GLN A 66 5.291 3.059 -21.119 1.00 0.00 C ATOM 1097 C GLN A 66 6.202 2.042 -20.440 1.00 0.00 C ATOM 1098 O GLN A 66 6.946 2.377 -19.518 1.00 0.00 O ATOM 1099 CB GLN A 66 6.097 3.902 -22.109 1.00 0.00 C ATOM 1100 CG GLN A 66 5.272 4.965 -22.816 1.00 0.00 C ATOM 1101 CD GLN A 66 4.793 4.520 -24.183 1.00 0.00 C ATOM 1102 OE1 GLN A 66 5.449 3.722 -24.854 1.00 0.00 O ATOM 1103 NE2 GLN A 66 3.644 5.035 -24.605 1.00 0.00 N ATOM 0 H GLN A 66 5.289 4.426 -19.529 1.00 0.00 H new ATOM 0 HA GLN A 66 4.514 2.519 -21.660 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.918 4.384 -21.578 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.543 3.244 -22.855 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.410 5.220 -22.199 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.868 5.871 -22.922 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.133 5.693 -24.016 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.272 4.773 -25.518 1.00 0.00 H new ATOM 1112 N TYR A 67 6.138 0.798 -20.902 1.00 0.00 N ATOM 1113 CA TYR A 67 6.955 -0.270 -20.337 1.00 0.00 C ATOM 1114 C TYR A 67 8.325 -0.321 -21.007 1.00 0.00 C ATOM 1115 O TYR A 67 8.427 -0.387 -22.232 1.00 0.00 O ATOM 1116 CB TYR A 67 6.249 -1.618 -20.492 1.00 0.00 C ATOM 1117 CG TYR A 67 7.137 -2.805 -20.193 1.00 0.00 C ATOM 1118 CD1 TYR A 67 8.041 -2.773 -19.139 1.00 0.00 C ATOM 1119 CD2 TYR A 67 7.070 -3.958 -20.965 1.00 0.00 C ATOM 1120 CE1 TYR A 67 8.855 -3.855 -18.863 1.00 0.00 C ATOM 1121 CE2 TYR A 67 7.878 -5.046 -20.695 1.00 0.00 C ATOM 1122 CZ TYR A 67 8.769 -4.989 -19.644 1.00 0.00 C ATOM 1123 OH TYR A 67 9.577 -6.069 -19.371 1.00 0.00 O ATOM 0 H TYR A 67 5.529 0.504 -21.666 1.00 0.00 H new ATOM 0 HA TYR A 67 7.097 -0.061 -19.277 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.385 -1.645 -19.828 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.871 -1.705 -21.510 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.109 -1.887 -18.525 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.375 -4.005 -21.790 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.554 -3.813 -18.041 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.812 -5.936 -21.304 1.00 0.00 H new ATOM 0 HH TYR A 67 9.392 -6.786 -20.012 1.00 0.00 H new ATOM 1133 N ASP A 68 9.375 -0.289 -20.195 1.00 0.00 N ATOM 1134 CA ASP A 68 10.740 -0.333 -20.707 1.00 0.00 C ATOM 1135 C ASP A 68 11.359 -1.710 -20.486 1.00 0.00 C ATOM 1136 O ASP A 68 11.511 -2.157 -19.349 1.00 0.00 O ATOM 1137 CB ASP A 68 11.596 0.740 -20.032 1.00 0.00 C ATOM 1138 CG ASP A 68 11.738 1.986 -20.882 1.00 0.00 C ATOM 1139 OD1 ASP A 68 10.956 2.142 -21.844 1.00 0.00 O ATOM 1140 OD2 ASP A 68 12.631 2.807 -20.586 1.00 0.00 O ATOM 0 H ASP A 68 9.308 -0.233 -19.179 1.00 0.00 H new ATOM 0 HA ASP A 68 10.706 -0.138 -21.779 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.150 1.006 -19.074 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.585 0.333 -19.822 1.00 0.00 H new ATOM 1145 N SER A 69 11.713 -2.376 -21.580 1.00 0.00 N ATOM 1146 CA SER A 69 12.312 -3.704 -21.505 1.00 0.00 C ATOM 1147 C SER A 69 13.823 -3.609 -21.317 1.00 0.00 C ATOM 1148 O SER A 69 14.423 -4.410 -20.599 1.00 0.00 O ATOM 1149 CB SER A 69 11.994 -4.502 -22.771 1.00 0.00 C ATOM 1150 OG SER A 69 12.737 -4.021 -23.878 1.00 0.00 O ATOM 0 H SER A 69 11.596 -2.019 -22.528 1.00 0.00 H new ATOM 0 HA SER A 69 11.888 -4.219 -20.643 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.221 -5.555 -22.607 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.928 -4.436 -22.988 1.00 0.00 H new ATOM 0 HG SER A 69 12.517 -4.549 -24.674 1.00 0.00 H new ATOM 1156 N LYS A 70 14.433 -2.624 -21.967 1.00 0.00 N ATOM 1157 CA LYS A 70 15.874 -2.421 -21.872 1.00 0.00 C ATOM 1158 C LYS A 70 16.320 -2.362 -20.415 1.00 0.00 C ATOM 1159 O LYS A 70 17.445 -2.739 -20.085 1.00 0.00 O ATOM 1160 CB LYS A 70 16.277 -1.133 -22.593 1.00 0.00 C ATOM 1161 CG LYS A 70 15.556 0.102 -22.080 1.00 0.00 C ATOM 1162 CD LYS A 70 16.375 0.828 -21.027 1.00 0.00 C ATOM 1163 CE LYS A 70 15.520 1.801 -20.229 1.00 0.00 C ATOM 1164 NZ LYS A 70 15.399 3.120 -20.909 1.00 0.00 N ATOM 0 H LYS A 70 13.952 -1.953 -22.566 1.00 0.00 H new ATOM 0 HA LYS A 70 16.367 -3.267 -22.350 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.352 -0.987 -22.485 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.076 -1.245 -23.658 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.351 0.776 -22.911 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.593 -0.186 -21.658 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.828 0.102 -20.352 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.191 1.368 -21.508 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.527 1.376 -20.082 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.956 1.941 -19.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.902 3.843 -20.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.816 3.060 -21.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.395 3.380 -20.987 1.00 0.00 H new ATOM 1178 N ASP A 71 15.432 -1.888 -19.548 1.00 0.00 N ATOM 1179 CA ASP A 71 15.734 -1.782 -18.125 1.00 0.00 C ATOM 1180 C ASP A 71 14.702 -2.536 -17.293 1.00 0.00 C ATOM 1181 O ASP A 71 14.808 -2.605 -16.069 1.00 0.00 O ATOM 1182 CB ASP A 71 15.777 -0.314 -17.699 1.00 0.00 C ATOM 1183 CG ASP A 71 16.153 -0.145 -16.240 1.00 0.00 C ATOM 1184 OD1 ASP A 71 17.061 -0.865 -15.775 1.00 0.00 O ATOM 1185 OD2 ASP A 71 15.539 0.706 -15.563 1.00 0.00 O ATOM 0 H ASP A 71 14.497 -1.571 -19.805 1.00 0.00 H new ATOM 0 HA ASP A 71 16.712 -2.231 -17.952 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.495 0.221 -18.321 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.802 0.141 -17.875 1.00 0.00 H new ATOM 1190 N GLU A 72 13.703 -3.099 -17.966 1.00 0.00 N ATOM 1191 CA GLU A 72 12.651 -3.846 -17.288 1.00 0.00 C ATOM 1192 C GLU A 72 11.933 -2.969 -16.266 1.00 0.00 C ATOM 1193 O GLU A 72 11.376 -3.467 -15.287 1.00 0.00 O ATOM 1194 CB GLU A 72 13.235 -5.080 -16.596 1.00 0.00 C ATOM 1195 CG GLU A 72 13.982 -6.009 -17.538 1.00 0.00 C ATOM 1196 CD GLU A 72 14.906 -6.963 -16.806 1.00 0.00 C ATOM 1197 OE1 GLU A 72 15.193 -6.715 -15.616 1.00 0.00 O ATOM 1198 OE2 GLU A 72 15.342 -7.957 -17.423 1.00 0.00 O ATOM 0 H GLU A 72 13.601 -3.052 -18.980 1.00 0.00 H new ATOM 0 HA GLU A 72 11.928 -4.167 -18.038 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.912 -4.757 -15.805 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.428 -5.634 -16.117 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.263 -6.583 -18.123 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.564 -5.415 -18.243 1.00 0.00 H new ATOM 1205 N CYS A 73 11.951 -1.662 -16.501 1.00 0.00 N ATOM 1206 CA CYS A 73 11.303 -0.714 -15.601 1.00 0.00 C ATOM 1207 C CYS A 73 10.043 -0.137 -16.236 1.00 0.00 C ATOM 1208 O CYS A 73 9.810 -0.297 -17.434 1.00 0.00 O ATOM 1209 CB CYS A 73 12.268 0.415 -15.235 1.00 0.00 C ATOM 1210 SG CYS A 73 12.686 1.505 -16.616 1.00 0.00 S ATOM 0 H CYS A 73 12.407 -1.234 -17.307 1.00 0.00 H new ATOM 0 HA CYS A 73 11.019 -1.247 -14.694 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.827 1.011 -14.436 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.186 -0.020 -14.839 1.00 0.00 H new ATOM 0 HG CYS A 73 13.971 1.702 -16.640 1.00 0.00 H new ATOM 1216 N ILE A 74 9.232 0.535 -15.425 1.00 0.00 N ATOM 1217 CA ILE A 74 7.995 1.136 -15.907 1.00 0.00 C ATOM 1218 C ILE A 74 8.029 2.653 -15.765 1.00 0.00 C ATOM 1219 O ILE A 74 8.409 3.181 -14.721 1.00 0.00 O ATOM 1220 CB ILE A 74 6.771 0.588 -15.151 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.728 -0.939 -15.243 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.490 1.193 -15.706 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.413 -1.452 -16.631 1.00 0.00 C ATOM 0 H ILE A 74 9.410 0.677 -14.431 1.00 0.00 H new ATOM 0 HA ILE A 74 7.907 0.874 -16.961 1.00 0.00 H new ATOM 0 HB ILE A 74 6.857 0.868 -14.101 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.690 -1.341 -14.925 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.979 -1.316 -14.546 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.634 0.795 -15.161 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.521 2.277 -15.593 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.396 0.941 -16.762 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.399 -2.542 -16.622 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.438 -1.079 -16.944 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.175 -1.105 -17.329 1.00 0.00 H new ATOM 1235 N ASN A 75 7.627 3.351 -16.823 1.00 0.00 N ATOM 1236 CA ASN A 75 7.610 4.809 -16.816 1.00 0.00 C ATOM 1237 C ASN A 75 6.178 5.336 -16.781 1.00 0.00 C ATOM 1238 O ASN A 75 5.359 4.996 -17.635 1.00 0.00 O ATOM 1239 CB ASN A 75 8.336 5.354 -18.047 1.00 0.00 C ATOM 1240 CG ASN A 75 9.677 4.683 -18.271 1.00 0.00 C ATOM 1241 OD1 ASN A 75 10.720 5.209 -17.883 1.00 0.00 O ATOM 1242 ND2 ASN A 75 9.656 3.513 -18.900 1.00 0.00 N ATOM 0 H ASN A 75 7.309 2.930 -17.696 1.00 0.00 H new ATOM 0 HA ASN A 75 8.126 5.149 -15.918 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.710 5.211 -18.928 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.485 6.428 -17.932 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.528 3.014 -19.078 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.768 3.113 -19.204 1.00 0.00 H new ATOM 1249 N VAL A 76 5.884 6.169 -15.788 1.00 0.00 N ATOM 1250 CA VAL A 76 4.553 6.745 -15.642 1.00 0.00 C ATOM 1251 C VAL A 76 4.586 8.258 -15.824 1.00 0.00 C ATOM 1252 O VAL A 76 5.334 8.961 -15.144 1.00 0.00 O ATOM 1253 CB VAL A 76 3.948 6.419 -14.264 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.521 6.937 -14.170 1.00 0.00 C ATOM 1255 CG2 VAL A 76 3.998 4.921 -14.001 1.00 0.00 C ATOM 0 H VAL A 76 6.550 6.460 -15.072 1.00 0.00 H new ATOM 0 HA VAL A 76 3.930 6.301 -16.419 1.00 0.00 H new ATOM 0 HB VAL A 76 4.542 6.920 -13.499 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.111 6.697 -13.189 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.516 8.018 -14.311 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.912 6.468 -14.943 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.566 4.709 -13.023 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.430 4.397 -14.770 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.034 4.582 -14.022 1.00 0.00 H new ATOM 1265 N LYS A 77 3.769 8.755 -16.748 1.00 0.00 N ATOM 1266 CA LYS A 77 3.702 10.186 -17.020 1.00 0.00 C ATOM 1267 C LYS A 77 2.359 10.761 -16.581 1.00 0.00 C ATOM 1268 O LYS A 77 1.314 10.141 -16.777 1.00 0.00 O ATOM 1269 CB LYS A 77 3.921 10.453 -18.511 1.00 0.00 C ATOM 1270 CG LYS A 77 2.827 11.295 -19.145 1.00 0.00 C ATOM 1271 CD LYS A 77 2.968 12.762 -18.776 1.00 0.00 C ATOM 1272 CE LYS A 77 3.109 13.636 -20.013 1.00 0.00 C ATOM 1273 NZ LYS A 77 2.914 15.078 -19.698 1.00 0.00 N ATOM 0 H LYS A 77 3.144 8.187 -17.321 1.00 0.00 H new ATOM 0 HA LYS A 77 4.491 10.677 -16.450 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.879 10.956 -18.645 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.985 9.500 -19.037 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.865 11.186 -20.229 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.852 10.930 -18.822 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.097 13.079 -18.202 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.839 12.895 -18.134 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.097 13.490 -20.450 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.380 13.326 -20.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.798 15.614 -20.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.064 15.193 -19.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.743 15.436 -19.183 1.00 0.00 H new ATOM 1287 N VAL A 78 2.395 11.950 -15.989 1.00 0.00 N ATOM 1288 CA VAL A 78 1.181 12.610 -15.525 1.00 0.00 C ATOM 1289 C VAL A 78 1.331 14.127 -15.561 1.00 0.00 C ATOM 1290 O VAL A 78 2.298 14.677 -15.036 1.00 0.00 O ATOM 1291 CB VAL A 78 0.817 12.175 -14.093 1.00 0.00 C ATOM 1292 CG1 VAL A 78 1.992 12.399 -13.152 1.00 0.00 C ATOM 1293 CG2 VAL A 78 -0.415 12.922 -13.606 1.00 0.00 C ATOM 0 H VAL A 78 3.252 12.476 -15.819 1.00 0.00 H new ATOM 0 HA VAL A 78 0.381 12.311 -16.202 1.00 0.00 H new ATOM 0 HB VAL A 78 0.588 11.109 -14.103 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.716 12.086 -12.145 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.847 11.815 -13.492 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.255 13.457 -13.144 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.658 12.602 -12.593 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.216 13.994 -13.610 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.256 12.706 -14.266 1.00 0.00 H new ATOM 1303 N ALA A 79 0.368 14.797 -16.184 1.00 0.00 N ATOM 1304 CA ALA A 79 0.391 16.251 -16.287 1.00 0.00 C ATOM 1305 C ALA A 79 0.011 16.901 -14.961 1.00 0.00 C ATOM 1306 O ALA A 79 -0.729 16.324 -14.164 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.543 16.717 -17.393 1.00 0.00 C ATOM 0 H ALA A 79 -0.439 14.356 -16.626 1.00 0.00 H new ATOM 0 HA ALA A 79 1.408 16.557 -16.533 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.515 17.805 -17.458 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.224 16.288 -18.343 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.560 16.392 -17.171 1.00 0.00 H new ATOM 1313 N LYS A 80 0.522 18.106 -14.730 1.00 0.00 N ATOM 1314 CA LYS A 80 0.236 18.836 -13.501 1.00 0.00 C ATOM 1315 C LYS A 80 -0.779 19.946 -13.752 1.00 0.00 C ATOM 1316 O LYS A 80 -1.123 20.240 -14.897 1.00 0.00 O ATOM 1317 CB LYS A 80 1.523 19.428 -12.924 1.00 0.00 C ATOM 1318 CG LYS A 80 2.566 18.384 -12.564 1.00 0.00 C ATOM 1319 CD LYS A 80 3.975 18.944 -12.666 1.00 0.00 C ATOM 1320 CE LYS A 80 4.110 20.253 -11.905 1.00 0.00 C ATOM 1321 NZ LYS A 80 3.631 20.131 -10.500 1.00 0.00 N ATOM 0 H LYS A 80 1.137 18.598 -15.379 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.188 18.135 -12.782 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.950 20.121 -13.648 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.279 20.007 -12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.389 18.026 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.466 17.525 -13.227 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.686 18.218 -12.272 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.230 19.103 -13.714 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.154 20.568 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.542 21.030 -12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.722 20.625 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.507 19.126 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.329 20.556 -9.857 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.255 20.561 -12.674 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.231 21.641 -12.777 1.00 0.00 C ATOM 1337 C LEU A 81 -1.536 22.987 -12.951 1.00 0.00 C ATOM 1338 O LEU A 81 -2.118 23.934 -13.478 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.122 21.670 -11.535 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.059 20.475 -11.353 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -4.959 20.682 -10.144 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -4.891 20.254 -12.607 1.00 0.00 C ATOM 0 H LEU A 81 -0.981 20.330 -11.719 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.850 21.456 -13.655 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.483 21.742 -10.655 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.725 22.578 -11.566 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.453 19.585 -11.182 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.619 19.822 -10.030 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.347 20.791 -9.249 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.557 21.582 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.552 19.400 -12.459 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.488 21.144 -12.809 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.231 20.060 -13.452 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.286 23.064 -12.505 1.00 0.00 N ATOM 1355 CA ASN A 82 0.489 24.295 -12.612 1.00 0.00 C ATOM 1356 C ASN A 82 1.877 24.016 -13.181 1.00 0.00 C ATOM 1357 O ASN A 82 2.631 23.206 -12.641 1.00 0.00 O ATOM 1358 CB ASN A 82 0.614 24.965 -11.242 1.00 0.00 C ATOM 1359 CG ASN A 82 -0.653 24.834 -10.417 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -1.487 25.740 -10.393 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -0.802 23.704 -9.737 1.00 0.00 N ATOM 0 H ASN A 82 0.211 22.289 -12.066 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.036 24.967 -13.291 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.447 24.520 -10.697 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.849 26.021 -11.377 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.634 23.559 -9.165 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.085 22.980 -9.787 1.00 0.00 H new ATOM 1368 N LYS A 83 2.208 24.692 -14.276 1.00 0.00 N ATOM 1369 CA LYS A 83 3.505 24.519 -14.920 1.00 0.00 C ATOM 1370 C LYS A 83 4.613 25.159 -14.090 1.00 0.00 C ATOM 1371 O LYS A 83 4.356 26.030 -13.260 1.00 0.00 O ATOM 1372 CB LYS A 83 3.486 25.130 -16.323 1.00 0.00 C ATOM 1373 CG LYS A 83 4.659 24.703 -17.188 1.00 0.00 C ATOM 1374 CD LYS A 83 4.335 24.825 -18.667 1.00 0.00 C ATOM 1375 CE LYS A 83 4.976 23.706 -19.473 1.00 0.00 C ATOM 1376 NZ LYS A 83 5.309 24.139 -20.858 1.00 0.00 N ATOM 0 H LYS A 83 1.596 25.365 -14.736 1.00 0.00 H new ATOM 0 HA LYS A 83 3.705 23.450 -14.999 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.558 24.849 -16.820 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.485 26.217 -16.237 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.528 25.318 -16.953 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.926 23.672 -16.957 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.254 24.802 -18.807 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.684 25.788 -19.039 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.883 23.370 -18.970 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.298 22.853 -19.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.744 23.348 -21.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.441 24.436 -21.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.976 24.936 -20.822 1.00 0.00 H new ATOM 1390 N ASN A 84 5.847 24.721 -14.321 1.00 0.00 N ATOM 1391 CA ASN A 84 6.995 25.252 -13.595 1.00 0.00 C ATOM 1392 C ASN A 84 6.877 24.959 -12.102 1.00 0.00 C ATOM 1393 O ASN A 84 7.561 25.572 -11.284 1.00 0.00 O ATOM 1394 CB ASN A 84 7.115 26.760 -13.822 1.00 0.00 C ATOM 1395 CG ASN A 84 8.125 27.103 -14.900 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.981 27.968 -14.711 1.00 0.00 O ATOM 1397 ND2 ASN A 84 8.030 26.425 -16.038 1.00 0.00 N ATOM 0 H ASN A 84 6.077 24.000 -15.005 1.00 0.00 H new ATOM 0 HA ASN A 84 7.892 24.762 -13.974 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.141 27.162 -14.100 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.405 27.243 -12.889 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.682 26.612 -16.799 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.305 25.717 -16.151 1.00 0.00 H new ATOM 1404 N GLU A 85 6.005 24.017 -11.756 1.00 0.00 N ATOM 1405 CA GLU A 85 5.798 23.643 -10.362 1.00 0.00 C ATOM 1406 C GLU A 85 6.626 22.414 -9.999 1.00 0.00 C ATOM 1407 O GLU A 85 6.914 21.572 -10.850 1.00 0.00 O ATOM 1408 CB GLU A 85 4.316 23.368 -10.099 1.00 0.00 C ATOM 1409 CG GLU A 85 4.017 22.960 -8.666 1.00 0.00 C ATOM 1410 CD GLU A 85 2.670 23.464 -8.185 1.00 0.00 C ATOM 1411 OE1 GLU A 85 2.617 24.589 -7.646 1.00 0.00 O ATOM 1412 OE2 GLU A 85 1.670 22.734 -8.346 1.00 0.00 O ATOM 0 H GLU A 85 5.431 23.499 -12.422 1.00 0.00 H new ATOM 0 HA GLU A 85 6.122 24.476 -9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.741 24.262 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.977 22.579 -10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.043 21.873 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.799 23.345 -8.012 1.00 0.00 H new ATOM 1419 N TYR A 86 7.008 22.319 -8.730 1.00 0.00 N ATOM 1420 CA TYR A 86 7.806 21.196 -8.254 1.00 0.00 C ATOM 1421 C TYR A 86 7.149 20.533 -7.047 1.00 0.00 C ATOM 1422 O TYR A 86 6.016 20.855 -6.687 1.00 0.00 O ATOM 1423 CB TYR A 86 9.216 21.663 -7.889 1.00 0.00 C ATOM 1424 CG TYR A 86 9.288 22.391 -6.566 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.733 23.656 -6.415 1.00 0.00 C ATOM 1426 CD2 TYR A 86 9.911 21.814 -5.466 1.00 0.00 C ATOM 1427 CE1 TYR A 86 8.798 24.326 -5.208 1.00 0.00 C ATOM 1428 CE2 TYR A 86 9.979 22.475 -4.255 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.422 23.731 -4.131 1.00 0.00 C ATOM 1430 OH TYR A 86 9.487 24.394 -2.927 1.00 0.00 O ATOM 0 H TYR A 86 6.778 23.007 -8.013 1.00 0.00 H new ATOM 0 HA TYR A 86 7.870 20.463 -9.058 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.879 20.798 -7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.588 22.319 -8.676 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.242 24.124 -7.256 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.350 20.832 -5.560 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.363 25.309 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.466 22.011 -3.410 1.00 0.00 H new ATOM 0 HH TYR A 86 9.624 23.747 -2.204 1.00 0.00 H new ATOM 1440 N PHE A 87 7.868 19.605 -6.425 1.00 0.00 N ATOM 1441 CA PHE A 87 7.357 18.896 -5.258 1.00 0.00 C ATOM 1442 C PHE A 87 8.406 18.842 -4.151 1.00 0.00 C ATOM 1443 O PHE A 87 9.599 18.999 -4.406 1.00 0.00 O ATOM 1444 CB PHE A 87 6.932 17.477 -5.643 1.00 0.00 C ATOM 1445 CG PHE A 87 5.758 17.436 -6.579 1.00 0.00 C ATOM 1446 CD1 PHE A 87 5.893 17.833 -7.899 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.518 17.001 -6.138 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.814 17.797 -8.762 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.436 16.962 -6.996 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.584 17.360 -8.310 1.00 0.00 C ATOM 0 H PHE A 87 8.807 19.326 -6.710 1.00 0.00 H new ATOM 0 HA PHE A 87 6.489 19.440 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.776 16.967 -6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.684 16.922 -4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.853 18.175 -8.258 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.396 16.689 -5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.932 18.110 -9.789 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.475 16.621 -6.639 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.740 17.330 -8.983 1.00 0.00 H new ATOM 1460 N GLU A 88 7.950 18.619 -2.922 1.00 0.00 N ATOM 1461 CA GLU A 88 8.849 18.546 -1.777 1.00 0.00 C ATOM 1462 C GLU A 88 8.605 17.272 -0.974 1.00 0.00 C ATOM 1463 O GLU A 88 9.017 17.164 0.181 1.00 0.00 O ATOM 1464 CB GLU A 88 8.666 19.771 -0.878 1.00 0.00 C ATOM 1465 CG GLU A 88 8.854 21.092 -1.603 1.00 0.00 C ATOM 1466 CD GLU A 88 8.093 22.230 -0.951 1.00 0.00 C ATOM 1467 OE1 GLU A 88 6.857 22.118 -0.817 1.00 0.00 O ATOM 1468 OE2 GLU A 88 8.735 23.233 -0.573 1.00 0.00 O ATOM 0 H GLU A 88 6.965 18.486 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 88 9.872 18.528 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.668 19.745 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.376 19.715 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.915 21.339 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.524 20.985 -2.636 1.00 0.00 H new ATOM 1475 N ASP A 89 7.934 16.308 -1.595 1.00 0.00 N ATOM 1476 CA ASP A 89 7.635 15.040 -0.940 1.00 0.00 C ATOM 1477 C ASP A 89 8.247 13.874 -1.710 1.00 0.00 C ATOM 1478 O ASP A 89 8.598 12.847 -1.127 1.00 0.00 O ATOM 1479 CB ASP A 89 6.122 14.849 -0.817 1.00 0.00 C ATOM 1480 CG ASP A 89 5.511 15.740 0.246 1.00 0.00 C ATOM 1481 OD1 ASP A 89 6.059 16.835 0.490 1.00 0.00 O ATOM 1482 OD2 ASP A 89 4.483 15.343 0.833 1.00 0.00 O ATOM 0 H ASP A 89 7.587 16.381 -2.551 1.00 0.00 H new ATOM 0 HA ASP A 89 8.072 15.062 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.653 15.060 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.908 13.807 -0.580 1.00 0.00 H new ATOM 1487 N LEU A 90 8.371 14.038 -3.022 1.00 0.00 N ATOM 1488 CA LEU A 90 8.939 12.998 -3.873 1.00 0.00 C ATOM 1489 C LEU A 90 10.321 12.583 -3.377 1.00 0.00 C ATOM 1490 O LEU A 90 10.777 11.470 -3.638 1.00 0.00 O ATOM 1491 CB LEU A 90 9.030 13.488 -5.319 1.00 0.00 C ATOM 1492 CG LEU A 90 7.745 14.064 -5.915 1.00 0.00 C ATOM 1493 CD1 LEU A 90 7.934 14.377 -7.391 1.00 0.00 C ATOM 1494 CD2 LEU A 90 6.586 13.099 -5.716 1.00 0.00 C ATOM 0 H LEU A 90 8.086 14.881 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 90 8.282 12.129 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.806 14.251 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.355 12.656 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 90 7.511 14.993 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.009 14.786 -7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.736 15.106 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.193 13.464 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.680 13.525 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.811 12.153 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.435 12.926 -4.650 1.00 0.00 H new ATOM 1506 N ASP A 91 10.981 13.485 -2.658 1.00 0.00 N ATOM 1507 CA ASP A 91 12.309 13.212 -2.122 1.00 0.00 C ATOM 1508 C ASP A 91 12.264 12.065 -1.117 1.00 0.00 C ATOM 1509 O ASP A 91 13.241 11.333 -0.951 1.00 0.00 O ATOM 1510 CB ASP A 91 12.883 14.465 -1.459 1.00 0.00 C ATOM 1511 CG ASP A 91 13.464 15.438 -2.466 1.00 0.00 C ATOM 1512 OD1 ASP A 91 12.895 15.559 -3.571 1.00 0.00 O ATOM 1513 OD2 ASP A 91 14.489 16.079 -2.149 1.00 0.00 O ATOM 0 H ASP A 91 10.618 14.411 -2.433 1.00 0.00 H new ATOM 0 HA ASP A 91 12.955 12.921 -2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.099 14.962 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.658 14.175 -0.750 1.00 0.00 H new ATOM 1518 N LEU A 92 11.126 11.915 -0.449 1.00 0.00 N ATOM 1519 CA LEU A 92 10.954 10.858 0.541 1.00 0.00 C ATOM 1520 C LEU A 92 9.883 9.866 0.098 1.00 0.00 C ATOM 1521 O LEU A 92 8.815 10.242 -0.385 1.00 0.00 O ATOM 1522 CB LEU A 92 10.579 11.458 1.897 1.00 0.00 C ATOM 1523 CG LEU A 92 11.383 12.682 2.335 1.00 0.00 C ATOM 1524 CD1 LEU A 92 12.852 12.511 1.980 1.00 0.00 C ATOM 1525 CD2 LEU A 92 10.823 13.945 1.697 1.00 0.00 C ATOM 0 H LEU A 92 10.309 12.512 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 92 11.900 10.325 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.524 11.731 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.690 10.685 2.657 1.00 0.00 H new ATOM 0 HG LEU A 92 11.300 12.778 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.408 13.392 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.248 11.629 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.954 12.389 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.408 14.806 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.875 13.858 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.785 14.077 2.001 1.00 0.00 H new ATOM 1537 N PRO A 93 10.174 8.567 0.266 1.00 0.00 N ATOM 1538 CA PRO A 93 9.247 7.494 -0.108 1.00 0.00 C ATOM 1539 C PRO A 93 8.025 7.440 0.802 1.00 0.00 C ATOM 1540 O PRO A 93 6.889 7.380 0.331 1.00 0.00 O ATOM 1541 CB PRO A 93 10.090 6.226 0.053 1.00 0.00 C ATOM 1542 CG PRO A 93 11.132 6.588 1.054 1.00 0.00 C ATOM 1543 CD PRO A 93 11.428 8.046 0.836 1.00 0.00 C ATOM 0 HA PRO A 93 8.847 7.632 -1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.483 5.389 0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.538 5.926 -0.894 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.777 6.410 2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.029 5.983 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.684 8.548 1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.268 8.188 0.156 1.00 0.00 H new ATOM 1551 N THR A 94 8.265 7.462 2.110 1.00 0.00 N ATOM 1552 CA THR A 94 7.183 7.415 3.086 1.00 0.00 C ATOM 1553 C THR A 94 6.209 8.569 2.883 1.00 0.00 C ATOM 1554 O THR A 94 5.001 8.415 3.064 1.00 0.00 O ATOM 1555 CB THR A 94 7.725 7.463 4.527 1.00 0.00 C ATOM 1556 OG1 THR A 94 8.688 8.516 4.654 1.00 0.00 O ATOM 1557 CG2 THR A 94 8.363 6.136 4.910 1.00 0.00 C ATOM 0 H THR A 94 9.199 7.512 2.517 1.00 0.00 H new ATOM 0 HA THR A 94 6.660 6.471 2.933 1.00 0.00 H new ATOM 0 HB THR A 94 6.889 7.653 5.200 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.026 8.541 5.573 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.738 6.194 5.932 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.620 5.342 4.841 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.189 5.920 4.232 1.00 0.00 H new ATOM 1565 N LYS A 95 6.740 9.727 2.505 1.00 0.00 N ATOM 1566 CA LYS A 95 5.917 10.909 2.275 1.00 0.00 C ATOM 1567 C LYS A 95 4.847 10.630 1.224 1.00 0.00 C ATOM 1568 O LYS A 95 3.818 11.306 1.177 1.00 0.00 O ATOM 1569 CB LYS A 95 6.790 12.084 1.830 1.00 0.00 C ATOM 1570 CG LYS A 95 7.309 12.927 2.983 1.00 0.00 C ATOM 1571 CD LYS A 95 8.031 12.076 4.014 1.00 0.00 C ATOM 1572 CE LYS A 95 9.071 12.884 4.774 1.00 0.00 C ATOM 1573 NZ LYS A 95 10.078 12.010 5.437 1.00 0.00 N ATOM 0 H LYS A 95 7.738 9.872 2.351 1.00 0.00 H new ATOM 0 HA LYS A 95 5.423 11.166 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.637 11.701 1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.214 12.719 1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.987 13.690 2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.477 13.448 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.307 11.661 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.514 11.234 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.576 13.563 4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.575 13.500 5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.851 12.595 5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.627 11.489 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.461 11.335 4.745 1.00 0.00 H new ATOM 1587 N LEU A 96 5.094 9.630 0.385 1.00 0.00 N ATOM 1588 CA LEU A 96 4.151 9.261 -0.664 1.00 0.00 C ATOM 1589 C LEU A 96 3.183 8.189 -0.174 1.00 0.00 C ATOM 1590 O LEU A 96 1.981 8.257 -0.432 1.00 0.00 O ATOM 1591 CB LEU A 96 4.902 8.760 -1.899 1.00 0.00 C ATOM 1592 CG LEU A 96 6.178 9.520 -2.263 1.00 0.00 C ATOM 1593 CD1 LEU A 96 7.025 8.708 -3.229 1.00 0.00 C ATOM 1594 CD2 LEU A 96 5.839 10.878 -2.859 1.00 0.00 C ATOM 0 H LEU A 96 5.940 9.060 0.411 1.00 0.00 H new ATOM 0 HA LEU A 96 3.577 10.148 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.159 7.712 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.224 8.798 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 96 6.755 9.680 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.929 9.265 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.298 7.760 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.456 8.516 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.759 11.404 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.240 10.741 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.274 11.463 -2.133 1.00 0.00 H new ATOM 1606 N LEU A 97 3.715 7.200 0.537 1.00 0.00 N ATOM 1607 CA LEU A 97 2.898 6.114 1.066 1.00 0.00 C ATOM 1608 C LEU A 97 1.922 6.629 2.119 1.00 0.00 C ATOM 1609 O LEU A 97 0.780 6.177 2.196 1.00 0.00 O ATOM 1610 CB LEU A 97 3.789 5.026 1.669 1.00 0.00 C ATOM 1611 CG LEU A 97 4.400 4.034 0.679 1.00 0.00 C ATOM 1612 CD1 LEU A 97 3.309 3.331 -0.114 1.00 0.00 C ATOM 1613 CD2 LEU A 97 5.369 4.742 -0.256 1.00 0.00 C ATOM 0 H LEU A 97 4.708 7.128 0.760 1.00 0.00 H new ATOM 0 HA LEU A 97 2.324 5.690 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.599 5.509 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.202 4.467 2.398 1.00 0.00 H new ATOM 0 HG LEU A 97 4.953 3.282 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.763 2.629 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.654 2.791 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.728 4.069 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.794 4.020 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.839 5.515 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.169 5.198 0.327 1.00 0.00 H new