USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC H2D : A 101 HEC O2D : A 101 HEC CGD :(short bond) USER MOD Set 1.1: A 50 MET CE :methyl 150:sc= -0.0423 (180deg=-0.169) USER MOD Set 1.2: A 76 THR OG1 : rot 62:sc= 0.738 USER MOD Set 2.1: A 46 TYR OH : rot 120:sc= 0 USER MOD Set 2.2: A 101 HEC O2A : rot -88:sc= 0.639 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00428) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.82 K(o=0.82,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.113 K(o=0.11,f=-1.1) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 37 THR OG1 : rot -37:sc= 1.25 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -160:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc=-0.00181 K(o=-0.0018,f=-1.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 67 THR OG1 : rot 58:sc= 1.14 USER MOD Single : A 68 ASN : amide:sc= 0.185 K(o=0.18,f=-3.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.217) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.588 K(o=0.59,f=-0.02) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 100 GLN : amide:sc= 0.036 X(o=0.036,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.619 -1.815 -0.072 1.00 0.00 N ATOM 2 CA MET A 1 3.235 -2.154 -1.466 1.00 0.00 C ATOM 3 C MET A 1 1.968 -1.352 -1.891 1.00 0.00 C ATOM 4 O MET A 1 0.834 -1.812 -1.723 1.00 0.00 O ATOM 5 CB MET A 1 3.052 -3.690 -1.608 1.00 0.00 C ATOM 6 CG MET A 1 4.339 -4.531 -1.510 1.00 0.00 C ATOM 7 SD MET A 1 5.456 -4.154 -2.874 1.00 0.00 S ATOM 8 CE MET A 1 6.815 -5.259 -2.456 1.00 0.00 C ATOM 0 H1 MET A 1 4.484 -2.332 0.185 1.00 0.00 H new ATOM 0 H2 MET A 1 3.792 -0.792 0.002 1.00 0.00 H new ATOM 0 H3 MET A 1 2.850 -2.084 0.575 1.00 0.00 H new ATOM 0 HA MET A 1 4.033 -1.862 -2.148 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.361 -4.027 -0.836 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.580 -3.893 -2.569 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.837 -4.333 -0.561 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.088 -5.592 -1.522 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.606 -5.160 -3.199 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.206 -4.999 -1.472 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.456 -6.288 -2.443 1.00 0.00 H new ATOM 19 N ALA A 2 2.153 -0.152 -2.468 1.00 0.00 N ATOM 20 CA ALA A 2 1.023 0.725 -2.873 1.00 0.00 C ATOM 21 C ALA A 2 0.476 0.411 -4.307 1.00 0.00 C ATOM 22 O ALA A 2 0.795 1.100 -5.281 1.00 0.00 O ATOM 23 CB ALA A 2 1.528 2.172 -2.693 1.00 0.00 C ATOM 0 H ALA A 2 3.073 0.240 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 2 0.147 0.550 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.740 2.870 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.801 2.335 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.400 2.334 -3.326 1.00 0.00 H new ATOM 29 N ASP A 3 -0.366 -0.635 -4.423 1.00 0.00 N ATOM 30 CA ASP A 3 -0.897 -1.111 -5.733 1.00 0.00 C ATOM 31 C ASP A 3 -2.463 -0.958 -5.798 1.00 0.00 C ATOM 32 O ASP A 3 -3.157 -1.804 -5.221 1.00 0.00 O ATOM 33 CB ASP A 3 -0.404 -2.569 -5.939 1.00 0.00 C ATOM 34 CG ASP A 3 -0.500 -3.069 -7.379 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.710 -3.618 -7.670 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.416 -2.984 -8.189 1.00 0.00 O ATOM 0 H ASP A 3 -0.700 -1.175 -3.624 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.522 -0.501 -6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.633 -2.639 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.986 -3.231 -5.298 1.00 0.00 H new ATOM 41 N PRO A 4 -3.068 0.045 -6.510 1.00 0.00 N ATOM 42 CA PRO A 4 -4.553 0.175 -6.634 1.00 0.00 C ATOM 43 C PRO A 4 -5.373 -0.992 -7.275 1.00 0.00 C ATOM 44 O PRO A 4 -6.487 -1.265 -6.824 1.00 0.00 O ATOM 45 CB PRO A 4 -4.718 1.501 -7.405 1.00 0.00 C ATOM 46 CG PRO A 4 -3.433 2.285 -7.138 1.00 0.00 C ATOM 47 CD PRO A 4 -2.349 1.211 -7.064 1.00 0.00 C ATOM 0 HA PRO A 4 -4.989 0.143 -5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.855 1.322 -8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.593 2.051 -7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.231 3.001 -7.934 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.497 2.851 -6.209 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.928 0.995 -8.046 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.522 1.516 -6.423 1.00 0.00 H new ATOM 55 N ALA A 5 -4.833 -1.685 -8.296 1.00 0.00 N ATOM 56 CA ALA A 5 -5.466 -2.904 -8.880 1.00 0.00 C ATOM 57 C ALA A 5 -5.606 -4.132 -7.917 1.00 0.00 C ATOM 58 O ALA A 5 -6.698 -4.699 -7.815 1.00 0.00 O ATOM 59 CB ALA A 5 -4.698 -3.239 -10.172 1.00 0.00 C ATOM 0 H ALA A 5 -3.953 -1.426 -8.743 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.510 -2.673 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.130 -4.127 -10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.768 -2.401 -10.865 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.651 -3.427 -9.935 1.00 0.00 H new ATOM 65 N ALA A 6 -4.548 -4.497 -7.160 1.00 0.00 N ATOM 66 CA ALA A 6 -4.690 -5.356 -5.953 1.00 0.00 C ATOM 67 C ALA A 6 -5.582 -4.768 -4.806 1.00 0.00 C ATOM 68 O ALA A 6 -6.385 -5.507 -4.235 1.00 0.00 O ATOM 69 CB ALA A 6 -3.267 -5.688 -5.468 1.00 0.00 C ATOM 0 H ALA A 6 -3.588 -4.214 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.239 -6.253 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.323 -6.319 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.728 -6.216 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.741 -4.765 -5.224 1.00 0.00 H new ATOM 75 N GLY A 7 -5.503 -3.455 -4.508 1.00 0.00 N ATOM 76 CA GLY A 7 -6.461 -2.765 -3.601 1.00 0.00 C ATOM 77 C GLY A 7 -7.973 -2.820 -3.907 1.00 0.00 C ATOM 78 O GLY A 7 -8.761 -2.944 -2.972 1.00 0.00 O ATOM 0 H GLY A 7 -4.780 -2.841 -4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.315 -3.173 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.174 -1.714 -3.561 1.00 0.00 H new ATOM 82 N GLU A 8 -8.376 -2.783 -5.187 1.00 0.00 N ATOM 83 CA GLU A 8 -9.742 -3.194 -5.636 1.00 0.00 C ATOM 84 C GLU A 8 -10.171 -4.641 -5.197 1.00 0.00 C ATOM 85 O GLU A 8 -11.262 -4.816 -4.652 1.00 0.00 O ATOM 86 CB GLU A 8 -9.791 -2.972 -7.177 1.00 0.00 C ATOM 87 CG GLU A 8 -11.196 -2.917 -7.837 1.00 0.00 C ATOM 88 CD GLU A 8 -11.992 -4.220 -7.929 1.00 0.00 C ATOM 89 OE1 GLU A 8 -11.322 -5.186 -8.625 1.00 0.00 O ATOM 90 OE2 GLU A 8 -13.109 -4.364 -7.443 1.00 0.00 O ATOM 0 H GLU A 8 -7.775 -2.470 -5.949 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.488 -2.578 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.275 -2.039 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.224 -3.772 -7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.798 -2.195 -7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.076 -2.525 -8.847 1.00 0.00 H new ATOM 97 N LYS A 9 -9.302 -5.655 -5.382 1.00 0.00 N ATOM 98 CA LYS A 9 -9.488 -7.019 -4.801 1.00 0.00 C ATOM 99 C LYS A 9 -9.582 -7.071 -3.233 1.00 0.00 C ATOM 100 O LYS A 9 -10.508 -7.697 -2.711 1.00 0.00 O ATOM 101 CB LYS A 9 -8.385 -7.984 -5.329 1.00 0.00 C ATOM 102 CG LYS A 9 -8.224 -8.081 -6.865 1.00 0.00 C ATOM 103 CD LYS A 9 -7.206 -9.157 -7.289 1.00 0.00 C ATOM 104 CE LYS A 9 -7.008 -9.190 -8.812 1.00 0.00 C ATOM 105 NZ LYS A 9 -6.033 -10.235 -9.175 1.00 0.00 N ATOM 0 H LYS A 9 -8.450 -5.562 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.469 -7.349 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.430 -7.673 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.594 -8.982 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.192 -8.305 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.908 -7.114 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.250 -8.964 -6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.546 -10.134 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.960 -9.383 -9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.659 -8.219 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.907 -10.248 -10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.121 -10.033 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.382 -11.161 -8.857 1.00 0.00 H new ATOM 118 N VAL A 10 -8.688 -6.386 -2.482 1.00 0.00 N ATOM 119 CA VAL A 10 -8.830 -6.207 -0.994 1.00 0.00 C ATOM 120 C VAL A 10 -10.133 -5.419 -0.564 1.00 0.00 C ATOM 121 O VAL A 10 -10.798 -5.823 0.395 1.00 0.00 O ATOM 122 CB VAL A 10 -7.538 -5.616 -0.313 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.517 -5.873 1.214 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.172 -6.135 -0.826 1.00 0.00 C ATOM 0 H VAL A 10 -7.856 -5.943 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.952 -7.220 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.629 -4.563 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.609 -5.449 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.388 -5.405 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.540 -6.946 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.368 -5.649 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.113 -7.213 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.072 -5.909 -1.888 1.00 0.00 H new ATOM 134 N PHE A 11 -10.544 -4.358 -1.297 1.00 0.00 N ATOM 135 CA PHE A 11 -11.909 -3.753 -1.201 1.00 0.00 C ATOM 136 C PHE A 11 -13.146 -4.711 -1.409 1.00 0.00 C ATOM 137 O PHE A 11 -14.239 -4.375 -0.947 1.00 0.00 O ATOM 138 CB PHE A 11 -11.945 -2.516 -2.153 1.00 0.00 C ATOM 139 CG PHE A 11 -13.027 -1.465 -1.837 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.334 -1.622 -2.311 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.715 -0.347 -1.057 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.329 -0.717 -1.948 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.704 0.573 -0.719 1.00 0.00 C ATOM 144 CZ PHE A 11 -15.015 0.375 -1.145 1.00 0.00 C ATOM 0 H PHE A 11 -9.943 -3.891 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.046 -3.469 -0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.971 -2.029 -2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.094 -2.869 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.573 -2.450 -2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.702 -0.196 -0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.343 -0.863 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.454 1.441 -0.126 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.788 1.069 -0.852 1.00 0.00 H new ATOM 154 N GLY A 12 -12.996 -5.920 -1.991 1.00 0.00 N ATOM 155 CA GLY A 12 -13.961 -7.044 -1.811 1.00 0.00 C ATOM 156 C GLY A 12 -14.515 -7.360 -0.391 1.00 0.00 C ATOM 157 O GLY A 12 -15.704 -7.649 -0.252 1.00 0.00 O ATOM 0 H GLY A 12 -12.209 -6.151 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.816 -6.847 -2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.481 -7.949 -2.183 1.00 0.00 H new ATOM 161 N LYS A 13 -13.680 -7.247 0.658 1.00 0.00 N ATOM 162 CA LYS A 13 -14.159 -7.187 2.077 1.00 0.00 C ATOM 163 C LYS A 13 -15.014 -5.936 2.496 1.00 0.00 C ATOM 164 O LYS A 13 -15.873 -6.043 3.374 1.00 0.00 O ATOM 165 CB LYS A 13 -12.932 -7.333 3.024 1.00 0.00 C ATOM 166 CG LYS A 13 -12.237 -8.715 3.028 1.00 0.00 C ATOM 167 CD LYS A 13 -11.055 -8.767 4.015 1.00 0.00 C ATOM 168 CE LYS A 13 -10.364 -10.138 4.039 1.00 0.00 C ATOM 169 NZ LYS A 13 -9.271 -10.136 5.032 1.00 0.00 N ATOM 0 H LYS A 13 -12.666 -7.194 0.563 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.863 -8.014 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.195 -6.579 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.254 -7.108 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.963 -9.484 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.880 -8.944 2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.327 -8.002 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.412 -8.527 5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.088 -10.915 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.968 -10.372 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.809 -11.068 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.574 -9.406 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.659 -9.932 5.975 1.00 0.00 H new ATOM 182 N CYS A 14 -14.759 -4.766 1.899 1.00 0.00 N ATOM 183 CA CYS A 14 -15.483 -3.498 2.191 1.00 0.00 C ATOM 184 C CYS A 14 -16.821 -3.276 1.403 1.00 0.00 C ATOM 185 O CYS A 14 -17.785 -2.767 1.982 1.00 0.00 O ATOM 186 CB CYS A 14 -14.494 -2.330 1.952 1.00 0.00 C ATOM 187 SG CYS A 14 -12.773 -2.689 2.421 1.00 0.00 S ATOM 0 H CYS A 14 -14.036 -4.659 1.188 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.813 -3.552 3.228 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.520 -2.059 0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.836 -1.461 2.513 1.00 0.00 H new ATOM 192 N LYS A 15 -16.879 -3.635 0.101 1.00 0.00 N ATOM 193 CA LYS A 15 -18.042 -3.365 -0.802 1.00 0.00 C ATOM 194 C LYS A 15 -19.474 -3.842 -0.384 1.00 0.00 C ATOM 195 O LYS A 15 -20.453 -3.180 -0.736 1.00 0.00 O ATOM 196 CB LYS A 15 -17.665 -3.821 -2.240 1.00 0.00 C ATOM 197 CG LYS A 15 -17.617 -5.346 -2.508 1.00 0.00 C ATOM 198 CD LYS A 15 -17.096 -5.687 -3.917 1.00 0.00 C ATOM 199 CE LYS A 15 -17.204 -7.189 -4.223 1.00 0.00 C ATOM 200 NZ LYS A 15 -16.546 -7.486 -5.510 1.00 0.00 N ATOM 0 H LYS A 15 -16.117 -4.126 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.187 -2.287 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.380 -3.378 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.687 -3.404 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.978 -5.821 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.616 -5.764 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.662 -5.124 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.056 -5.373 -4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.738 -7.766 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.252 -7.487 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.622 -8.503 -5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.009 -6.947 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.543 -7.218 -5.457 1.00 0.00 H new ATOM 213 N ALA A 16 -19.605 -4.951 0.369 1.00 0.00 N ATOM 214 CA ALA A 16 -20.892 -5.350 1.005 1.00 0.00 C ATOM 215 C ALA A 16 -21.535 -4.328 2.007 1.00 0.00 C ATOM 216 O ALA A 16 -22.762 -4.196 2.029 1.00 0.00 O ATOM 217 CB ALA A 16 -20.645 -6.723 1.659 1.00 0.00 C ATOM 0 H ALA A 16 -18.836 -5.594 0.557 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.649 -5.384 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.560 -7.065 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.347 -7.442 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.853 -6.635 2.402 1.00 0.00 H new ATOM 223 N CYS A 17 -20.727 -3.608 2.808 1.00 0.00 N ATOM 224 CA CYS A 17 -21.208 -2.470 3.634 1.00 0.00 C ATOM 225 C CYS A 17 -21.057 -1.042 2.993 1.00 0.00 C ATOM 226 O CYS A 17 -21.942 -0.202 3.184 1.00 0.00 O ATOM 227 CB CYS A 17 -20.470 -2.544 4.986 1.00 0.00 C ATOM 228 SG CYS A 17 -20.594 -4.178 5.781 1.00 0.00 S ATOM 0 H CYS A 17 -19.728 -3.792 2.905 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.287 -2.583 3.738 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.419 -2.300 4.833 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.878 -1.788 5.657 1.00 0.00 H new ATOM 233 N HIS A 18 -19.934 -0.748 2.306 1.00 0.00 N ATOM 234 CA HIS A 18 -19.536 0.620 1.885 1.00 0.00 C ATOM 235 C HIS A 18 -19.627 0.802 0.339 1.00 0.00 C ATOM 236 O HIS A 18 -19.103 0.006 -0.447 1.00 0.00 O ATOM 237 CB HIS A 18 -18.070 0.850 2.333 1.00 0.00 C ATOM 238 CG HIS A 18 -17.882 1.167 3.810 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.854 2.452 4.286 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.453 0.281 4.799 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.311 2.260 5.514 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.115 0.963 5.976 1.00 0.00 N ATOM 0 H HIS A 18 -19.264 -1.463 2.021 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.215 1.339 2.344 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.490 -0.041 2.093 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.653 1.669 1.747 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.158 3.317 3.839 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.390 -0.790 4.674 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.034 3.105 6.126 1.00 0.00 H new ATOM 250 N LYS A 19 -20.251 1.908 -0.082 1.00 0.00 N ATOM 251 CA LYS A 19 -20.606 2.145 -1.510 1.00 0.00 C ATOM 252 C LYS A 19 -19.727 3.283 -2.125 1.00 0.00 C ATOM 253 O LYS A 19 -19.834 4.454 -1.748 1.00 0.00 O ATOM 254 CB LYS A 19 -22.121 2.480 -1.617 1.00 0.00 C ATOM 255 CG LYS A 19 -23.116 1.410 -1.097 1.00 0.00 C ATOM 256 CD LYS A 19 -24.552 1.955 -0.982 1.00 0.00 C ATOM 257 CE LYS A 19 -25.515 0.934 -0.358 1.00 0.00 C ATOM 258 NZ LYS A 19 -26.860 1.524 -0.224 1.00 0.00 N ATOM 0 H LYS A 19 -20.528 2.666 0.542 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.405 1.240 -2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.303 3.406 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.352 2.677 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -23.108 0.552 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.786 1.053 -0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.547 2.862 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.913 2.233 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.562 0.039 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.146 0.624 0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -27.505 0.826 0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -26.811 2.365 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -27.214 1.798 -1.163 1.00 0.00 H new ATOM 271 N LEU A 20 -18.894 2.946 -3.125 1.00 0.00 N ATOM 272 CA LEU A 20 -18.074 3.948 -3.881 1.00 0.00 C ATOM 273 C LEU A 20 -18.858 4.978 -4.762 1.00 0.00 C ATOM 274 O LEU A 20 -18.377 6.101 -4.927 1.00 0.00 O ATOM 275 CB LEU A 20 -17.032 3.196 -4.757 1.00 0.00 C ATOM 276 CG LEU A 20 -15.925 2.412 -4.006 1.00 0.00 C ATOM 277 CD1 LEU A 20 -15.172 1.495 -4.980 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.924 3.342 -3.297 1.00 0.00 C ATOM 0 H LEU A 20 -18.761 1.985 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.606 4.560 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.568 2.497 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.550 3.923 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.422 1.816 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.397 0.950 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.870 0.787 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.713 2.096 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.170 2.743 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.440 3.985 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.452 3.958 -2.569 1.00 0.00 H new ATOM 290 N ASP A 21 -20.046 4.657 -5.313 1.00 0.00 N ATOM 291 CA ASP A 21 -20.824 5.621 -6.156 1.00 0.00 C ATOM 292 C ASP A 21 -21.629 6.679 -5.314 1.00 0.00 C ATOM 293 O ASP A 21 -22.852 6.786 -5.422 1.00 0.00 O ATOM 294 CB ASP A 21 -21.708 4.815 -7.151 1.00 0.00 C ATOM 295 CG ASP A 21 -20.943 4.051 -8.236 1.00 0.00 C ATOM 296 OD1 ASP A 21 -20.337 4.607 -9.147 1.00 0.00 O ATOM 297 OD2 ASP A 21 -21.015 2.696 -8.070 1.00 0.00 O ATOM 0 H ASP A 21 -20.495 3.748 -5.198 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.125 6.231 -6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.308 4.104 -6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.401 5.503 -7.635 1.00 0.00 H new ATOM 302 N GLY A 22 -20.924 7.463 -4.473 1.00 0.00 N ATOM 303 CA GLY A 22 -21.525 8.522 -3.608 1.00 0.00 C ATOM 304 C GLY A 22 -22.736 8.211 -2.683 1.00 0.00 C ATOM 305 O GLY A 22 -23.542 9.110 -2.441 1.00 0.00 O ATOM 0 H GLY A 22 -19.912 7.385 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.727 8.904 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.827 9.337 -4.265 1.00 0.00 H new ATOM 309 N ASN A 23 -22.867 6.974 -2.173 1.00 0.00 N ATOM 310 CA ASN A 23 -24.067 6.519 -1.412 1.00 0.00 C ATOM 311 C ASN A 23 -23.699 5.967 0.005 1.00 0.00 C ATOM 312 O ASN A 23 -22.630 5.395 0.237 1.00 0.00 O ATOM 313 CB ASN A 23 -24.829 5.463 -2.266 1.00 0.00 C ATOM 314 CG ASN A 23 -25.867 6.043 -3.230 1.00 0.00 C ATOM 315 OD1 ASN A 23 -27.033 6.199 -2.888 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.512 6.376 -4.444 1.00 0.00 N ATOM 0 H ASN A 23 -22.151 6.255 -2.271 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.716 7.376 -1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.102 4.888 -2.840 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.328 4.765 -1.594 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -26.202 6.759 -5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.545 6.253 -4.745 1.00 0.00 H new ATOM 323 N ASP A 24 -24.622 6.143 0.962 1.00 0.00 N ATOM 324 CA ASP A 24 -24.373 5.861 2.404 1.00 0.00 C ATOM 325 C ASP A 24 -25.459 4.861 2.910 1.00 0.00 C ATOM 326 O ASP A 24 -26.639 5.217 2.989 1.00 0.00 O ATOM 327 CB ASP A 24 -24.389 7.219 3.165 1.00 0.00 C ATOM 328 CG ASP A 24 -23.163 8.107 2.925 1.00 0.00 C ATOM 329 OD1 ASP A 24 -23.236 8.810 1.760 1.00 0.00 O ATOM 330 OD2 ASP A 24 -22.204 8.157 3.686 1.00 0.00 O ATOM 0 H ASP A 24 -25.564 6.484 0.770 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.403 5.394 2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.282 7.772 2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -24.472 7.019 4.233 1.00 0.00 H new ATOM 335 N GLY A 25 -25.070 3.607 3.215 1.00 0.00 N ATOM 336 CA GLY A 25 -26.040 2.532 3.573 1.00 0.00 C ATOM 337 C GLY A 25 -25.761 1.885 4.938 1.00 0.00 C ATOM 338 O GLY A 25 -26.121 2.442 5.976 1.00 0.00 O ATOM 0 H GLY A 25 -24.095 3.306 3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.047 2.949 3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.017 1.761 2.803 1.00 0.00 H new ATOM 342 N VAL A 26 -25.111 0.713 4.931 1.00 0.00 N ATOM 343 CA VAL A 26 -24.599 0.062 6.184 1.00 0.00 C ATOM 344 C VAL A 26 -23.321 0.802 6.710 1.00 0.00 C ATOM 345 O VAL A 26 -23.331 1.274 7.847 1.00 0.00 O ATOM 346 CB VAL A 26 -24.412 -1.487 6.010 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.884 -2.200 7.279 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.696 -2.237 5.581 1.00 0.00 C ATOM 0 H VAL A 26 -24.919 0.183 4.081 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.356 0.166 6.961 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.670 -1.538 5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.781 -3.267 7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.913 -1.786 7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.586 -2.050 8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.480 -3.301 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.471 -2.091 6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -26.042 -1.848 4.624 1.00 0.00 H new ATOM 358 N GLY A 27 -22.256 0.929 5.895 1.00 0.00 N ATOM 359 CA GLY A 27 -21.215 1.964 6.104 1.00 0.00 C ATOM 360 C GLY A 27 -21.339 3.208 5.166 1.00 0.00 C ATOM 361 O GLY A 27 -22.040 3.142 4.146 1.00 0.00 O ATOM 0 H GLY A 27 -22.091 0.330 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.258 2.300 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.235 1.510 5.957 1.00 0.00 H new ATOM 365 N PRO A 28 -20.651 4.356 5.437 1.00 0.00 N ATOM 366 CA PRO A 28 -20.679 5.543 4.534 1.00 0.00 C ATOM 367 C PRO A 28 -19.927 5.383 3.168 1.00 0.00 C ATOM 368 O PRO A 28 -19.314 4.352 2.875 1.00 0.00 O ATOM 369 CB PRO A 28 -20.086 6.632 5.458 1.00 0.00 C ATOM 370 CG PRO A 28 -19.149 5.881 6.398 1.00 0.00 C ATOM 371 CD PRO A 28 -19.899 4.588 6.686 1.00 0.00 C ATOM 0 HA PRO A 28 -21.678 5.762 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.548 7.387 4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.869 7.150 6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.182 5.689 5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.957 6.446 7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.217 3.766 6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.563 4.689 7.544 1.00 0.00 H new ATOM 379 N HIS A 29 -19.956 6.422 2.317 1.00 0.00 N ATOM 380 CA HIS A 29 -19.279 6.382 0.990 1.00 0.00 C ATOM 381 C HIS A 29 -17.720 6.500 1.098 1.00 0.00 C ATOM 382 O HIS A 29 -17.196 7.552 1.477 1.00 0.00 O ATOM 383 CB HIS A 29 -19.941 7.403 0.020 1.00 0.00 C ATOM 384 CG HIS A 29 -19.760 8.903 0.267 1.00 0.00 C ATOM 385 ND1 HIS A 29 -20.479 9.637 1.203 1.00 0.00 N ATOM 386 CD2 HIS A 29 -18.926 9.742 -0.487 1.00 0.00 C ATOM 387 CE1 HIS A 29 -19.974 10.886 0.931 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.036 11.047 -0.052 1.00 0.00 N ATOM 0 H HIS A 29 -20.436 7.300 2.514 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.429 5.395 0.553 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.569 7.190 -0.982 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.012 7.200 0.013 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -21.174 9.338 1.887 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.288 9.413 -1.294 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.318 11.741 1.494 1.00 0.00 H new ATOM 396 N LEU A 30 -16.967 5.435 0.760 1.00 0.00 N ATOM 397 CA LEU A 30 -15.461 5.486 0.743 1.00 0.00 C ATOM 398 C LEU A 30 -14.773 6.186 -0.485 1.00 0.00 C ATOM 399 O LEU A 30 -13.548 6.327 -0.496 1.00 0.00 O ATOM 400 CB LEU A 30 -14.872 4.067 0.996 1.00 0.00 C ATOM 401 CG LEU A 30 -15.123 3.448 2.394 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.627 1.995 2.453 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.484 4.227 3.557 1.00 0.00 C ATOM 0 H LEU A 30 -17.356 4.530 0.495 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.213 6.161 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.281 3.390 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.795 4.111 0.832 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.204 3.496 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.816 1.586 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.156 1.400 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.557 1.967 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.709 3.725 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.404 4.269 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.886 5.240 3.581 1.00 0.00 H new ATOM 415 N ASN A 31 -15.542 6.694 -1.463 1.00 0.00 N ATOM 416 CA ASN A 31 -15.046 7.656 -2.477 1.00 0.00 C ATOM 417 C ASN A 31 -14.891 9.078 -1.839 1.00 0.00 C ATOM 418 O ASN A 31 -15.850 9.644 -1.303 1.00 0.00 O ATOM 419 CB ASN A 31 -16.047 7.591 -3.653 1.00 0.00 C ATOM 420 CG ASN A 31 -15.663 8.391 -4.898 1.00 0.00 C ATOM 421 OD1 ASN A 31 -14.543 8.329 -5.391 1.00 0.00 O ATOM 422 ND2 ASN A 31 -16.584 9.133 -5.464 1.00 0.00 N ATOM 0 H ASN A 31 -16.526 6.453 -1.578 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.051 7.411 -2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.174 6.547 -3.940 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.016 7.945 -3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.367 9.656 -6.312 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.517 9.187 -5.056 1.00 0.00 H new ATOM 429 N GLY A 32 -13.663 9.609 -1.826 1.00 0.00 N ATOM 430 CA GLY A 32 -13.324 10.822 -1.029 1.00 0.00 C ATOM 431 C GLY A 32 -13.104 10.635 0.491 1.00 0.00 C ATOM 432 O GLY A 32 -13.512 11.506 1.262 1.00 0.00 O ATOM 0 H GLY A 32 -12.879 9.227 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.418 11.259 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.123 11.550 -1.167 1.00 0.00 H new ATOM 436 N VAL A 33 -12.461 9.536 0.924 1.00 0.00 N ATOM 437 CA VAL A 33 -12.141 9.285 2.367 1.00 0.00 C ATOM 438 C VAL A 33 -10.720 9.751 2.846 1.00 0.00 C ATOM 439 O VAL A 33 -10.603 10.188 3.994 1.00 0.00 O ATOM 440 CB VAL A 33 -12.496 7.808 2.751 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.551 6.732 2.170 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.608 7.597 4.279 1.00 0.00 C ATOM 0 H VAL A 33 -12.145 8.794 0.300 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.787 9.950 2.940 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.471 7.668 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.881 5.745 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.568 6.782 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.536 6.909 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.856 6.556 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.657 7.844 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.390 8.242 4.679 1.00 0.00 H new ATOM 452 N VAL A 34 -9.646 9.652 2.034 1.00 0.00 N ATOM 453 CA VAL A 34 -8.253 9.974 2.486 1.00 0.00 C ATOM 454 C VAL A 34 -8.090 11.525 2.656 1.00 0.00 C ATOM 455 O VAL A 34 -8.260 12.293 1.703 1.00 0.00 O ATOM 456 CB VAL A 34 -7.151 9.339 1.567 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.720 9.544 2.122 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.315 7.822 1.332 1.00 0.00 C ATOM 0 H VAL A 34 -9.705 9.353 1.061 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.099 9.512 3.461 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.289 9.869 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.998 9.085 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.511 10.611 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.642 9.081 3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.512 7.465 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.272 7.299 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.276 7.629 0.856 1.00 0.00 H new ATOM 468 N GLY A 35 -7.815 11.971 3.892 1.00 0.00 N ATOM 469 CA GLY A 35 -7.969 13.404 4.275 1.00 0.00 C ATOM 470 C GLY A 35 -9.345 13.895 4.804 1.00 0.00 C ATOM 471 O GLY A 35 -9.417 15.039 5.255 1.00 0.00 O ATOM 0 H GLY A 35 -7.485 11.371 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.224 13.623 5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.717 14.007 3.403 1.00 0.00 H new ATOM 475 N ARG A 36 -10.419 13.083 4.776 1.00 0.00 N ATOM 476 CA ARG A 36 -11.763 13.489 5.270 1.00 0.00 C ATOM 477 C ARG A 36 -11.858 13.415 6.824 1.00 0.00 C ATOM 478 O ARG A 36 -11.313 12.509 7.462 1.00 0.00 O ATOM 479 CB ARG A 36 -12.826 12.596 4.569 1.00 0.00 C ATOM 480 CG ARG A 36 -14.307 12.966 4.861 1.00 0.00 C ATOM 481 CD ARG A 36 -15.344 12.263 3.968 1.00 0.00 C ATOM 482 NE ARG A 36 -15.488 10.814 4.294 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.974 9.889 3.467 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.185 10.083 2.190 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.252 8.717 3.948 1.00 0.00 N ATOM 0 H ARG A 36 -10.387 12.130 4.413 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.948 14.534 5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.663 12.644 3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.662 11.561 4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.526 12.728 5.902 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.425 14.044 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.310 12.756 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.052 12.370 2.923 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.192 10.508 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.975 10.988 1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.560 9.329 1.615 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.097 8.522 4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.625 7.990 3.337 1.00 0.00 H new ATOM 499 N THR A 37 -12.605 14.354 7.423 1.00 0.00 N ATOM 500 CA THR A 37 -12.820 14.419 8.896 1.00 0.00 C ATOM 501 C THR A 37 -13.501 13.141 9.495 1.00 0.00 C ATOM 502 O THR A 37 -14.365 12.510 8.874 1.00 0.00 O ATOM 503 CB THR A 37 -13.549 15.764 9.203 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.774 16.865 8.722 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.804 16.059 10.689 1.00 0.00 C ATOM 0 H THR A 37 -13.082 15.095 6.909 1.00 0.00 H new ATOM 0 HA THR A 37 -11.861 14.415 9.414 1.00 0.00 H new ATOM 0 HB THR A 37 -14.513 15.650 8.707 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.821 16.677 8.854 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.315 17.017 10.787 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.425 15.271 11.115 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.853 16.099 11.220 1.00 0.00 H new ATOM 513 N VAL A 38 -13.084 12.755 10.714 1.00 0.00 N ATOM 514 CA VAL A 38 -13.646 11.571 11.431 1.00 0.00 C ATOM 515 C VAL A 38 -15.107 11.892 11.913 1.00 0.00 C ATOM 516 O VAL A 38 -15.348 12.897 12.589 1.00 0.00 O ATOM 517 CB VAL A 38 -12.685 11.107 12.578 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.202 9.858 13.320 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.245 10.764 12.120 1.00 0.00 C ATOM 0 H VAL A 38 -12.355 13.242 11.235 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.719 10.721 10.753 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.662 11.982 13.228 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.496 9.582 14.103 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.173 10.075 13.766 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.303 9.032 12.616 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.654 10.453 12.981 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.278 9.954 11.391 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.789 11.643 11.665 1.00 0.00 H new ATOM 529 N ALA A 39 -16.081 11.065 11.479 1.00 0.00 N ATOM 530 CA ALA A 39 -17.532 11.432 11.442 1.00 0.00 C ATOM 531 C ALA A 39 -17.991 12.566 10.447 1.00 0.00 C ATOM 532 O ALA A 39 -19.111 13.074 10.558 1.00 0.00 O ATOM 533 CB ALA A 39 -18.112 11.576 12.869 1.00 0.00 C ATOM 0 H ALA A 39 -15.894 10.121 11.142 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.993 10.569 10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.167 11.843 12.808 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.007 10.631 13.401 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.571 12.356 13.405 1.00 0.00 H new ATOM 539 N GLY A 40 -17.191 12.914 9.420 1.00 0.00 N ATOM 540 CA GLY A 40 -17.486 14.031 8.484 1.00 0.00 C ATOM 541 C GLY A 40 -18.226 13.658 7.184 1.00 0.00 C ATOM 542 O GLY A 40 -17.772 13.988 6.087 1.00 0.00 O ATOM 0 H GLY A 40 -16.318 12.430 9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.081 14.774 9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.544 14.510 8.216 1.00 0.00 H new ATOM 546 N VAL A 41 -19.393 13.022 7.330 1.00 0.00 N ATOM 547 CA VAL A 41 -20.411 12.916 6.240 1.00 0.00 C ATOM 548 C VAL A 41 -21.794 13.280 6.870 1.00 0.00 C ATOM 549 O VAL A 41 -22.414 12.456 7.553 1.00 0.00 O ATOM 550 CB VAL A 41 -20.435 11.528 5.502 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.484 11.485 4.365 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.084 11.117 4.874 1.00 0.00 C ATOM 0 H VAL A 41 -19.673 12.563 8.197 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.147 13.612 5.444 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.686 10.829 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.462 10.506 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.476 11.664 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.254 12.255 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.189 10.148 4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.783 11.863 4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.326 11.049 5.654 1.00 0.00 H new ATOM 562 N ASP A 42 -22.305 14.494 6.587 1.00 0.00 N ATOM 563 CA ASP A 42 -23.670 14.918 7.015 1.00 0.00 C ATOM 564 C ASP A 42 -24.755 14.222 6.129 1.00 0.00 C ATOM 565 O ASP A 42 -24.942 14.559 4.956 1.00 0.00 O ATOM 566 CB ASP A 42 -23.782 16.466 6.961 1.00 0.00 C ATOM 567 CG ASP A 42 -22.892 17.225 7.949 1.00 0.00 C ATOM 568 OD1 ASP A 42 -23.504 17.427 9.154 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.753 17.595 7.677 1.00 0.00 O ATOM 0 H ASP A 42 -21.798 15.207 6.062 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.843 14.607 8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.538 16.796 5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.820 16.745 7.145 1.00 0.00 H new ATOM 574 N GLY A 43 -25.402 13.189 6.688 1.00 0.00 N ATOM 575 CA GLY A 43 -26.089 12.150 5.875 1.00 0.00 C ATOM 576 C GLY A 43 -26.041 10.733 6.484 1.00 0.00 C ATOM 577 O GLY A 43 -27.084 10.086 6.588 1.00 0.00 O ATOM 0 H GLY A 43 -25.469 13.042 7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.131 12.440 5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.636 12.122 4.884 1.00 0.00 H new ATOM 581 N PHE A 44 -24.849 10.245 6.881 1.00 0.00 N ATOM 582 CA PHE A 44 -24.723 8.964 7.630 1.00 0.00 C ATOM 583 C PHE A 44 -24.879 9.180 9.177 1.00 0.00 C ATOM 584 O PHE A 44 -24.283 10.090 9.764 1.00 0.00 O ATOM 585 CB PHE A 44 -23.369 8.303 7.239 1.00 0.00 C ATOM 586 CG PHE A 44 -23.191 6.874 7.786 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.763 5.781 7.126 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.560 6.674 9.019 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.723 4.515 7.703 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.532 5.411 9.600 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.113 4.332 8.941 1.00 0.00 C ATOM 0 H PHE A 44 -23.960 10.711 6.700 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.533 8.287 7.357 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.289 8.278 6.152 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.553 8.926 7.605 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.237 5.920 6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.091 7.506 9.523 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.166 3.674 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.060 5.268 10.561 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.091 3.350 9.391 1.00 0.00 H new ATOM 601 N ASN A 45 -25.635 8.285 9.841 1.00 0.00 N ATOM 602 CA ASN A 45 -25.777 8.286 11.323 1.00 0.00 C ATOM 603 C ASN A 45 -24.552 7.606 12.028 1.00 0.00 C ATOM 604 O ASN A 45 -24.545 6.397 12.282 1.00 0.00 O ATOM 605 CB ASN A 45 -27.141 7.610 11.636 1.00 0.00 C ATOM 606 CG ASN A 45 -27.612 7.736 13.079 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.254 8.701 13.474 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.322 6.775 13.911 1.00 0.00 N ATOM 0 H ASN A 45 -26.163 7.545 9.378 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.776 9.299 11.725 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -27.900 8.042 10.984 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.070 6.552 11.385 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.630 6.831 14.882 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -26.788 5.967 13.591 1.00 0.00 H new ATOM 615 N TYR A 46 -23.530 8.409 12.361 1.00 0.00 N ATOM 616 CA TYR A 46 -22.299 7.919 13.039 1.00 0.00 C ATOM 617 C TYR A 46 -22.485 7.638 14.565 1.00 0.00 C ATOM 618 O TYR A 46 -23.225 8.339 15.264 1.00 0.00 O ATOM 619 CB TYR A 46 -21.151 8.951 12.823 1.00 0.00 C ATOM 620 CG TYR A 46 -20.547 8.988 11.411 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.591 8.040 11.033 1.00 0.00 C ATOM 622 CD2 TYR A 46 -20.935 9.972 10.496 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.030 8.075 9.759 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.371 10.007 9.224 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.413 9.065 8.858 1.00 0.00 C ATOM 626 OH TYR A 46 -18.825 9.126 7.623 1.00 0.00 O ATOM 0 H TYR A 46 -23.524 9.412 12.174 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.051 6.959 12.587 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.530 9.944 13.062 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.354 8.734 13.534 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.286 7.276 11.733 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.675 10.707 10.777 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.298 7.335 9.470 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.677 10.766 8.519 1.00 0.00 H new ATOM 0 HH TYR A 46 -19.509 9.021 6.929 1.00 0.00 H new ATOM 636 N SER A 47 -21.740 6.652 15.102 1.00 0.00 N ATOM 637 CA SER A 47 -21.674 6.412 16.573 1.00 0.00 C ATOM 638 C SER A 47 -20.987 7.570 17.373 1.00 0.00 C ATOM 639 O SER A 47 -20.058 8.232 16.897 1.00 0.00 O ATOM 640 CB SER A 47 -20.941 5.080 16.859 1.00 0.00 C ATOM 641 OG SER A 47 -21.640 3.962 16.319 1.00 0.00 O ATOM 0 H SER A 47 -21.175 6.007 14.550 1.00 0.00 H new ATOM 0 HA SER A 47 -22.707 6.365 16.918 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.937 5.120 16.435 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.828 4.952 17.936 1.00 0.00 H new ATOM 0 HG SER A 47 -21.345 3.143 16.770 1.00 0.00 H new ATOM 647 N ASP A 48 -21.427 7.763 18.629 1.00 0.00 N ATOM 648 CA ASP A 48 -20.859 8.807 19.539 1.00 0.00 C ATOM 649 C ASP A 48 -19.310 8.720 19.809 1.00 0.00 C ATOM 650 O ASP A 48 -18.679 9.775 19.692 1.00 0.00 O ATOM 651 CB ASP A 48 -21.697 8.931 20.842 1.00 0.00 C ATOM 652 CG ASP A 48 -23.113 9.487 20.651 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.342 10.605 20.199 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.080 8.602 21.038 1.00 0.00 O ATOM 0 H ASP A 48 -22.176 7.214 19.050 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.949 9.740 18.982 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.769 7.947 21.305 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.162 9.574 21.541 1.00 0.00 H new ATOM 659 N PRO A 49 -18.629 7.562 20.076 1.00 0.00 N ATOM 660 CA PRO A 49 -17.138 7.476 20.063 1.00 0.00 C ATOM 661 C PRO A 49 -16.371 7.848 18.757 1.00 0.00 C ATOM 662 O PRO A 49 -15.253 8.350 18.849 1.00 0.00 O ATOM 663 CB PRO A 49 -16.877 6.026 20.511 1.00 0.00 C ATOM 664 CG PRO A 49 -18.147 5.616 21.256 1.00 0.00 C ATOM 665 CD PRO A 49 -19.263 6.289 20.464 1.00 0.00 C ATOM 0 HA PRO A 49 -16.732 8.253 20.711 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.691 5.375 19.657 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.001 5.962 21.157 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.267 4.533 21.276 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.131 5.955 22.292 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.562 5.700 19.597 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.157 6.444 21.068 1.00 0.00 H new ATOM 673 N MET A 50 -16.958 7.655 17.561 1.00 0.00 N ATOM 674 CA MET A 50 -16.434 8.264 16.298 1.00 0.00 C ATOM 675 C MET A 50 -16.489 9.832 16.256 1.00 0.00 C ATOM 676 O MET A 50 -15.498 10.468 15.887 1.00 0.00 O ATOM 677 CB MET A 50 -17.165 7.576 15.116 1.00 0.00 C ATOM 678 CG MET A 50 -16.559 7.833 13.722 1.00 0.00 C ATOM 679 SD MET A 50 -14.908 7.118 13.595 1.00 0.00 S ATOM 680 CE MET A 50 -15.275 5.502 12.898 1.00 0.00 C ATOM 0 H MET A 50 -17.794 7.085 17.430 1.00 0.00 H new ATOM 0 HA MET A 50 -15.362 8.078 16.229 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.177 6.501 15.295 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.203 7.910 15.109 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.205 7.404 12.956 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.510 8.906 13.534 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.435 5.169 12.289 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.444 4.788 13.704 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.169 5.568 12.278 1.00 0.00 H new ATOM 690 N LYS A 51 -17.609 10.447 16.682 1.00 0.00 N ATOM 691 CA LYS A 51 -17.697 11.923 16.901 1.00 0.00 C ATOM 692 C LYS A 51 -16.763 12.476 18.036 1.00 0.00 C ATOM 693 O LYS A 51 -16.070 13.471 17.810 1.00 0.00 O ATOM 694 CB LYS A 51 -19.185 12.317 17.128 1.00 0.00 C ATOM 695 CG LYS A 51 -20.123 12.116 15.909 1.00 0.00 C ATOM 696 CD LYS A 51 -21.591 12.528 16.139 1.00 0.00 C ATOM 697 CE LYS A 51 -22.355 11.602 17.098 1.00 0.00 C ATOM 698 NZ LYS A 51 -23.768 12.011 17.204 1.00 0.00 N ATOM 0 H LYS A 51 -18.476 9.950 16.885 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.318 12.401 15.998 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.574 11.734 17.963 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.224 13.365 17.425 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.729 12.687 15.069 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.098 11.065 15.620 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.615 13.544 16.534 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.107 12.547 15.179 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.295 10.573 16.743 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.889 11.627 18.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.266 11.373 17.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.821 12.985 17.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.214 11.964 16.266 1.00 0.00 H new ATOM 711 N ALA A 52 -16.707 11.834 19.222 1.00 0.00 N ATOM 712 CA ALA A 52 -15.730 12.182 20.294 1.00 0.00 C ATOM 713 C ALA A 52 -14.207 11.901 20.053 1.00 0.00 C ATOM 714 O ALA A 52 -13.366 12.557 20.672 1.00 0.00 O ATOM 715 CB ALA A 52 -16.242 11.502 21.578 1.00 0.00 C ATOM 0 H ALA A 52 -17.329 11.065 19.469 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.710 13.271 20.344 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.563 11.722 22.402 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.237 11.878 21.817 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.289 10.424 21.425 1.00 0.00 H new ATOM 721 N HIS A 53 -13.851 10.969 19.155 1.00 0.00 N ATOM 722 CA HIS A 53 -12.453 10.770 18.671 1.00 0.00 C ATOM 723 C HIS A 53 -11.896 11.984 17.847 1.00 0.00 C ATOM 724 O HIS A 53 -10.880 12.561 18.247 1.00 0.00 O ATOM 725 CB HIS A 53 -12.413 9.393 17.940 1.00 0.00 C ATOM 726 CG HIS A 53 -11.057 8.960 17.381 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.681 9.185 16.066 1.00 0.00 N ATOM 728 CD2 HIS A 53 -10.006 8.368 18.102 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.388 8.746 16.122 1.00 0.00 C ATOM 730 NE2 HIS A 53 -8.899 8.209 17.285 1.00 0.00 N ATOM 0 H HIS A 53 -14.520 10.323 18.735 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.757 10.740 19.509 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -12.757 8.627 18.635 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.128 9.421 17.118 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.054 8.079 19.142 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.753 8.822 15.252 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.984 7.808 17.490 1.00 0.00 H new ATOM 738 N GLY A 54 -12.533 12.367 16.723 1.00 0.00 N ATOM 739 CA GLY A 54 -12.072 13.519 15.902 1.00 0.00 C ATOM 740 C GLY A 54 -10.800 13.304 15.042 1.00 0.00 C ATOM 741 O GLY A 54 -10.260 12.202 14.921 1.00 0.00 O ATOM 0 H GLY A 54 -13.365 11.902 16.359 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.886 13.809 15.237 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.891 14.361 16.570 1.00 0.00 H new ATOM 745 N GLY A 55 -10.337 14.391 14.409 1.00 0.00 N ATOM 746 CA GLY A 55 -9.204 14.325 13.444 1.00 0.00 C ATOM 747 C GLY A 55 -9.617 14.162 11.962 1.00 0.00 C ATOM 748 O GLY A 55 -10.761 14.418 11.574 1.00 0.00 O ATOM 0 H GLY A 55 -10.720 15.327 14.539 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.609 15.233 13.542 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.559 13.490 13.720 1.00 0.00 H new ATOM 752 N ASP A 56 -8.659 13.733 11.127 1.00 0.00 N ATOM 753 CA ASP A 56 -8.901 13.447 9.679 1.00 0.00 C ATOM 754 C ASP A 56 -8.274 12.074 9.270 1.00 0.00 C ATOM 755 O ASP A 56 -7.282 11.616 9.851 1.00 0.00 O ATOM 756 CB ASP A 56 -8.357 14.598 8.785 1.00 0.00 C ATOM 757 CG ASP A 56 -9.009 15.974 8.974 1.00 0.00 C ATOM 758 OD1 ASP A 56 -10.178 16.234 8.701 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.139 16.886 9.490 1.00 0.00 O ATOM 0 H ASP A 56 -7.696 13.571 11.420 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.978 13.384 9.523 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.288 14.698 8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.474 14.305 7.742 1.00 0.00 H new ATOM 764 N TRP A 57 -8.842 11.416 8.240 1.00 0.00 N ATOM 765 CA TRP A 57 -8.432 10.039 7.840 1.00 0.00 C ATOM 766 C TRP A 57 -7.140 10.008 6.962 1.00 0.00 C ATOM 767 O TRP A 57 -7.169 9.874 5.736 1.00 0.00 O ATOM 768 CB TRP A 57 -9.640 9.306 7.188 1.00 0.00 C ATOM 769 CG TRP A 57 -10.698 8.776 8.168 1.00 0.00 C ATOM 770 CD1 TRP A 57 -12.029 9.234 8.276 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.554 7.818 9.163 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.725 8.568 9.301 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.789 7.711 9.847 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.419 7.092 9.617 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.896 6.903 11.001 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.548 6.303 10.759 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.766 6.218 11.446 1.00 0.00 C ATOM 0 H TRP A 57 -9.587 11.809 7.665 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.149 9.493 8.740 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.125 9.990 6.492 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.261 8.469 6.601 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.460 10.001 7.649 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.699 8.690 9.578 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.479 7.150 9.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.835 6.818 11.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.695 5.748 11.120 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.831 5.611 12.337 1.00 0.00 H new ATOM 788 N THR A 58 -5.992 10.100 7.641 1.00 0.00 N ATOM 789 CA THR A 58 -4.638 9.983 7.027 1.00 0.00 C ATOM 790 C THR A 58 -4.212 8.489 6.765 1.00 0.00 C ATOM 791 O THR A 58 -4.746 7.594 7.433 1.00 0.00 O ATOM 792 CB THR A 58 -3.605 10.715 7.950 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.593 10.171 9.266 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.816 12.234 8.083 1.00 0.00 C ATOM 0 H THR A 58 -5.962 10.260 8.648 1.00 0.00 H new ATOM 0 HA THR A 58 -4.664 10.457 6.046 1.00 0.00 H new ATOM 0 HB THR A 58 -2.655 10.549 7.442 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.936 10.651 9.812 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.053 12.651 8.741 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.741 12.699 7.100 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.803 12.429 8.503 1.00 0.00 H new ATOM 802 N PRO A 59 -3.239 8.144 5.861 1.00 0.00 N ATOM 803 CA PRO A 59 -2.727 6.742 5.712 1.00 0.00 C ATOM 804 C PRO A 59 -2.272 5.986 7.003 1.00 0.00 C ATOM 805 O PRO A 59 -2.683 4.846 7.234 1.00 0.00 O ATOM 806 CB PRO A 59 -1.605 6.905 4.665 1.00 0.00 C ATOM 807 CG PRO A 59 -1.246 8.392 4.638 1.00 0.00 C ATOM 808 CD PRO A 59 -2.557 9.103 4.965 1.00 0.00 C ATOM 0 HA PRO A 59 -3.537 6.075 5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.737 6.301 4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.939 6.569 3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.473 8.628 5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.864 8.691 3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.385 10.062 5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.142 9.304 4.068 1.00 0.00 H new ATOM 816 N GLU A 60 -1.486 6.660 7.857 1.00 0.00 N ATOM 817 CA GLU A 60 -1.176 6.201 9.243 1.00 0.00 C ATOM 818 C GLU A 60 -2.412 5.903 10.169 1.00 0.00 C ATOM 819 O GLU A 60 -2.492 4.804 10.727 1.00 0.00 O ATOM 820 CB GLU A 60 -0.148 7.195 9.856 1.00 0.00 C ATOM 821 CG GLU A 60 0.459 6.810 11.233 1.00 0.00 C ATOM 822 CD GLU A 60 1.174 5.455 11.270 1.00 0.00 C ATOM 823 OE1 GLU A 60 2.163 5.196 10.590 1.00 0.00 O ATOM 824 OE2 GLU A 60 0.566 4.561 12.105 1.00 0.00 O ATOM 0 H GLU A 60 -1.040 7.545 7.615 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.738 5.205 9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.670 7.319 9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.632 8.166 9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.165 7.585 11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.339 6.803 11.976 1.00 0.00 H new ATOM 831 N ALA A 61 -3.376 6.838 10.302 1.00 0.00 N ATOM 832 CA ALA A 61 -4.677 6.568 10.978 1.00 0.00 C ATOM 833 C ALA A 61 -5.566 5.441 10.349 1.00 0.00 C ATOM 834 O ALA A 61 -6.069 4.584 11.083 1.00 0.00 O ATOM 835 CB ALA A 61 -5.425 7.913 11.065 1.00 0.00 C ATOM 0 H ALA A 61 -3.284 7.791 9.951 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.455 6.156 11.962 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.387 7.763 11.555 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.831 8.623 11.641 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.586 8.305 10.061 1.00 0.00 H new ATOM 841 N LEU A 62 -5.718 5.407 9.010 1.00 0.00 N ATOM 842 CA LEU A 62 -6.364 4.281 8.278 1.00 0.00 C ATOM 843 C LEU A 62 -5.694 2.881 8.473 1.00 0.00 C ATOM 844 O LEU A 62 -6.419 1.935 8.778 1.00 0.00 O ATOM 845 CB LEU A 62 -6.476 4.648 6.767 1.00 0.00 C ATOM 846 CG LEU A 62 -7.487 5.763 6.384 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.209 6.285 4.966 1.00 0.00 C ATOM 848 CD2 LEU A 62 -8.946 5.276 6.466 1.00 0.00 C ATOM 0 H LEU A 62 -5.398 6.157 8.398 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.353 4.161 8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.489 4.952 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.744 3.745 6.218 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.353 6.568 7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.929 7.065 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.200 6.694 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.301 5.466 4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.617 6.089 6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.089 4.439 5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.166 4.954 7.484 1.00 0.00 H new ATOM 860 N GLN A 63 -4.358 2.712 8.349 1.00 0.00 N ATOM 861 CA GLN A 63 -3.688 1.407 8.656 1.00 0.00 C ATOM 862 C GLN A 63 -3.786 0.897 10.136 1.00 0.00 C ATOM 863 O GLN A 63 -3.963 -0.305 10.358 1.00 0.00 O ATOM 864 CB GLN A 63 -2.251 1.361 8.074 1.00 0.00 C ATOM 865 CG GLN A 63 -1.144 2.153 8.816 1.00 0.00 C ATOM 866 CD GLN A 63 0.260 2.033 8.208 1.00 0.00 C ATOM 867 OE1 GLN A 63 0.534 1.263 7.293 1.00 0.00 O ATOM 868 NE2 GLN A 63 1.216 2.773 8.714 1.00 0.00 N ATOM 0 H GLN A 63 -3.721 3.447 8.043 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.289 0.664 8.132 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.942 0.317 8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.294 1.726 7.048 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.425 3.206 8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.106 1.812 9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.011 3.420 9.475 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.165 2.702 8.347 1.00 0.00 H new ATOM 877 N GLU A 64 -3.726 1.795 11.136 1.00 0.00 N ATOM 878 CA GLU A 64 -4.121 1.487 12.541 1.00 0.00 C ATOM 879 C GLU A 64 -5.620 1.056 12.696 1.00 0.00 C ATOM 880 O GLU A 64 -5.885 -0.046 13.186 1.00 0.00 O ATOM 881 CB GLU A 64 -3.752 2.709 13.431 1.00 0.00 C ATOM 882 CG GLU A 64 -2.232 2.965 13.604 1.00 0.00 C ATOM 883 CD GLU A 64 -1.887 4.292 14.275 1.00 0.00 C ATOM 884 OE1 GLU A 64 -2.209 4.303 15.602 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.360 5.229 13.678 1.00 0.00 O ATOM 0 H GLU A 64 -3.405 2.754 11.004 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.565 0.610 12.873 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.208 3.601 13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.195 2.567 14.417 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.804 2.153 14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.757 2.934 12.623 1.00 0.00 H new ATOM 892 N PHE A 65 -6.588 1.884 12.254 1.00 0.00 N ATOM 893 CA PHE A 65 -8.032 1.529 12.233 1.00 0.00 C ATOM 894 C PHE A 65 -8.421 0.253 11.412 1.00 0.00 C ATOM 895 O PHE A 65 -9.206 -0.551 11.903 1.00 0.00 O ATOM 896 CB PHE A 65 -8.758 2.817 11.764 1.00 0.00 C ATOM 897 CG PHE A 65 -10.293 2.760 11.813 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.968 2.870 13.034 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.027 2.583 10.636 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.359 2.795 13.076 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.415 2.511 10.684 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.081 2.611 11.900 1.00 0.00 C ATOM 0 H PHE A 65 -6.396 2.821 11.900 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.344 1.217 13.230 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.422 3.649 12.382 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.451 3.035 10.741 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.409 3.014 13.947 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.515 2.502 9.688 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.876 2.880 14.020 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.978 2.377 9.772 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.159 2.546 11.932 1.00 0.00 H new ATOM 912 N LEU A 66 -7.880 0.022 10.206 1.00 0.00 N ATOM 913 CA LEU A 66 -8.067 -1.272 9.482 1.00 0.00 C ATOM 914 C LEU A 66 -7.281 -2.502 10.060 1.00 0.00 C ATOM 915 O LEU A 66 -7.655 -3.633 9.748 1.00 0.00 O ATOM 916 CB LEU A 66 -7.774 -1.068 7.968 1.00 0.00 C ATOM 917 CG LEU A 66 -8.624 -0.018 7.198 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.141 0.101 5.742 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.130 -0.323 7.231 1.00 0.00 C ATOM 0 H LEU A 66 -7.310 0.702 9.703 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.111 -1.546 9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.725 -0.790 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.899 -2.030 7.470 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.481 0.933 7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.746 0.840 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.097 0.413 5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.237 -0.865 5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.669 0.445 6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.314 -1.296 6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.476 -0.335 8.264 1.00 0.00 H new ATOM 931 N THR A 67 -6.256 -2.324 10.921 1.00 0.00 N ATOM 932 CA THR A 67 -5.700 -3.424 11.771 1.00 0.00 C ATOM 933 C THR A 67 -6.707 -3.904 12.878 1.00 0.00 C ATOM 934 O THR A 67 -6.984 -5.103 12.940 1.00 0.00 O ATOM 935 CB THR A 67 -4.302 -3.028 12.344 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.421 -2.591 11.312 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.560 -4.184 13.036 1.00 0.00 C ATOM 0 H THR A 67 -5.788 -1.427 11.053 1.00 0.00 H new ATOM 0 HA THR A 67 -5.551 -4.293 11.130 1.00 0.00 H new ATOM 0 HB THR A 67 -4.533 -2.243 13.064 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.823 -1.834 10.837 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.598 -3.829 13.407 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.157 -4.552 13.870 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.398 -4.991 12.322 1.00 0.00 H new ATOM 945 N ASN A 68 -7.259 -3.010 13.728 1.00 0.00 N ATOM 946 CA ASN A 68 -8.421 -3.343 14.604 1.00 0.00 C ATOM 947 C ASN A 68 -9.316 -2.061 14.793 1.00 0.00 C ATOM 948 O ASN A 68 -8.911 -1.172 15.557 1.00 0.00 O ATOM 949 CB ASN A 68 -7.947 -3.967 15.945 1.00 0.00 C ATOM 950 CG ASN A 68 -9.067 -4.569 16.813 1.00 0.00 C ATOM 951 OD1 ASN A 68 -10.163 -4.036 16.952 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.828 -5.684 17.457 1.00 0.00 N ATOM 0 H ASN A 68 -6.924 -2.052 13.831 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.039 -4.105 14.128 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.217 -4.747 15.728 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.432 -3.200 16.523 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.546 -6.090 18.058 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.924 -6.147 17.358 1.00 0.00 H new ATOM 959 N PRO A 69 -10.529 -1.918 14.175 1.00 0.00 N ATOM 960 CA PRO A 69 -11.328 -0.663 14.278 1.00 0.00 C ATOM 961 C PRO A 69 -12.027 -0.373 15.639 1.00 0.00 C ATOM 962 O PRO A 69 -12.006 0.774 16.093 1.00 0.00 O ATOM 963 CB PRO A 69 -12.273 -0.745 13.065 1.00 0.00 C ATOM 964 CG PRO A 69 -12.325 -2.210 12.640 1.00 0.00 C ATOM 965 CD PRO A 69 -11.037 -2.853 13.151 1.00 0.00 C ATOM 0 HA PRO A 69 -10.678 0.212 14.257 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.268 -0.383 13.326 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.910 -0.119 12.250 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.200 -2.706 13.061 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.399 -2.298 11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.228 -3.839 13.575 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.315 -2.987 12.345 1.00 0.00 H new ATOM 973 N LYS A 70 -12.602 -1.395 16.296 1.00 0.00 N ATOM 974 CA LYS A 70 -13.137 -1.276 17.687 1.00 0.00 C ATOM 975 C LYS A 70 -12.097 -1.186 18.856 1.00 0.00 C ATOM 976 O LYS A 70 -12.465 -0.727 19.940 1.00 0.00 O ATOM 977 CB LYS A 70 -14.208 -2.383 17.902 1.00 0.00 C ATOM 978 CG LYS A 70 -15.535 -2.147 17.132 1.00 0.00 C ATOM 979 CD LYS A 70 -16.578 -3.275 17.254 1.00 0.00 C ATOM 980 CE LYS A 70 -16.251 -4.509 16.395 1.00 0.00 C ATOM 981 NZ LYS A 70 -17.331 -5.507 16.507 1.00 0.00 N ATOM 0 H LYS A 70 -12.714 -2.325 15.892 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.586 -0.285 17.749 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.789 -3.342 17.595 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.428 -2.457 18.967 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.983 -1.220 17.490 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.303 -2.002 16.077 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.653 -3.579 18.298 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.555 -2.889 16.964 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.125 -4.213 15.353 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.306 -4.946 16.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.100 -6.336 15.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.431 -5.800 17.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.225 -5.090 16.177 1.00 0.00 H new ATOM 994 N ALA A 71 -10.816 -1.539 18.651 1.00 0.00 N ATOM 995 CA ALA A 71 -9.705 -1.080 19.532 1.00 0.00 C ATOM 996 C ALA A 71 -9.267 0.412 19.332 1.00 0.00 C ATOM 997 O ALA A 71 -9.087 1.118 20.327 1.00 0.00 O ATOM 998 CB ALA A 71 -8.532 -2.059 19.350 1.00 0.00 C ATOM 0 H ALA A 71 -10.515 -2.141 17.885 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.069 -1.089 20.559 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.700 -1.751 19.983 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.849 -3.063 19.631 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.215 -2.057 18.307 1.00 0.00 H new ATOM 1004 N VAL A 72 -9.102 0.903 18.082 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.760 2.337 17.800 1.00 0.00 C ATOM 1006 C VAL A 72 -9.929 3.322 18.157 1.00 0.00 C ATOM 1007 O VAL A 72 -9.725 4.226 18.972 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.205 2.494 16.336 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -7.932 3.957 15.901 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.886 1.723 16.103 1.00 0.00 C ATOM 0 H VAL A 72 -9.198 0.333 17.242 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.953 2.634 18.470 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.017 2.080 15.737 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.552 3.968 14.879 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.858 4.530 15.950 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.194 4.403 16.567 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.555 1.871 15.075 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.122 2.093 16.787 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.049 0.660 16.282 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.127 3.165 17.562 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.326 3.968 17.944 1.00 0.00 C ATOM 1022 C VAL A 73 -13.183 3.066 18.893 1.00 0.00 C ATOM 1023 O VAL A 73 -13.955 2.213 18.440 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.085 4.491 16.677 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.335 5.322 17.037 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.224 5.380 15.744 1.00 0.00 C ATOM 0 H VAL A 73 -11.300 2.493 16.815 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.059 4.879 18.479 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.357 3.572 16.158 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.823 5.660 16.123 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.027 4.707 17.612 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.038 6.187 17.631 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.823 5.700 14.892 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.877 6.255 16.293 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.365 4.810 15.390 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.023 3.252 20.218 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.606 2.335 21.237 1.00 0.00 C ATOM 1038 C LYS A 74 -15.154 2.511 21.386 1.00 0.00 C ATOM 1039 O LYS A 74 -15.639 3.469 21.993 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.807 2.536 22.552 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.089 1.473 23.643 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.228 1.621 24.915 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.602 2.827 25.795 1.00 0.00 C ATOM 1044 NZ LYS A 74 -11.771 2.837 27.016 1.00 0.00 N ATOM 0 H LYS A 74 -12.495 4.029 20.616 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.506 1.296 20.924 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.742 2.527 22.320 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.037 3.522 22.955 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.141 1.527 23.923 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.923 0.482 23.220 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.318 0.711 25.508 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.182 1.709 24.623 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.457 3.753 25.239 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.657 2.779 26.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.029 3.654 27.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.930 1.960 27.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.767 2.904 26.752 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.911 1.580 20.785 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.376 1.747 20.568 1.00 0.00 C ATOM 1059 C GLY A 75 -17.853 2.312 19.202 1.00 0.00 C ATOM 1060 O GLY A 75 -18.922 2.924 19.142 1.00 0.00 O ATOM 0 H GLY A 75 -15.540 0.696 20.436 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.847 0.774 20.709 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.757 2.402 21.351 1.00 0.00 H new ATOM 1064 N THR A 76 -17.130 2.045 18.100 1.00 0.00 N ATOM 1065 CA THR A 76 -17.658 2.224 16.715 1.00 0.00 C ATOM 1066 C THR A 76 -18.686 1.111 16.314 1.00 0.00 C ATOM 1067 O THR A 76 -18.495 -0.073 16.611 1.00 0.00 O ATOM 1068 CB THR A 76 -16.481 2.351 15.694 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.986 2.637 14.400 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.554 1.140 15.502 1.00 0.00 C ATOM 0 H THR A 76 -16.170 1.701 18.132 1.00 0.00 H new ATOM 0 HA THR A 76 -18.220 3.158 16.692 1.00 0.00 H new ATOM 0 HB THR A 76 -15.883 3.141 16.149 1.00 0.00 H new ATOM 0 HG1 THR A 76 -17.461 3.494 14.416 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.789 1.381 14.764 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.078 0.892 16.451 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.137 0.287 15.155 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.742 1.481 15.565 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.649 0.484 14.904 1.00 0.00 C ATOM 1080 C LYS A 77 -20.087 -0.317 13.669 1.00 0.00 C ATOM 1081 O LYS A 77 -20.843 -1.073 13.050 1.00 0.00 O ATOM 1082 CB LYS A 77 -22.018 1.168 14.603 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.013 2.322 13.568 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.356 3.058 13.360 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.315 2.454 12.319 1.00 0.00 C ATOM 1086 NZ LYS A 77 -25.015 1.255 12.817 1.00 0.00 N ATOM 0 H LYS A 77 -19.999 2.453 15.395 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.762 -0.321 15.630 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.710 0.402 14.254 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.417 1.555 15.541 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.265 3.054 13.874 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.691 1.920 12.608 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -23.874 3.100 14.318 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.140 4.086 13.069 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.050 3.205 12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.754 2.195 11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.809 1.029 12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -24.354 0.453 12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.377 1.437 13.775 1.00 0.00 H new ATOM 1099 N MET A 78 -18.787 -0.209 13.324 1.00 0.00 N ATOM 1100 CA MET A 78 -18.166 -1.007 12.238 1.00 0.00 C ATOM 1101 C MET A 78 -17.852 -2.463 12.707 1.00 0.00 C ATOM 1102 O MET A 78 -16.886 -2.702 13.441 1.00 0.00 O ATOM 1103 CB MET A 78 -16.925 -0.242 11.697 1.00 0.00 C ATOM 1104 CG MET A 78 -16.233 -0.968 10.526 1.00 0.00 C ATOM 1105 SD MET A 78 -15.506 0.198 9.305 1.00 0.00 S ATOM 1106 CE MET A 78 -13.795 -0.427 9.439 1.00 0.00 C ATOM 0 H MET A 78 -18.139 0.429 13.785 1.00 0.00 H new ATOM 0 HA MET A 78 -18.867 -1.125 11.412 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.232 0.752 11.371 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.208 -0.105 12.507 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.448 -1.615 10.917 1.00 0.00 H new ATOM 0 HG3 MET A 78 -16.956 -1.611 10.024 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.147 0.141 8.771 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.446 -0.315 10.466 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.770 -1.480 9.160 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.648 -3.436 12.229 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.409 -4.878 12.501 1.00 0.00 C ATOM 1118 C ALA A 79 -17.351 -5.506 11.533 1.00 0.00 C ATOM 1119 O ALA A 79 -17.664 -6.244 10.594 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.789 -5.563 12.473 1.00 0.00 C ATOM 0 H ALA A 79 -19.468 -3.256 11.649 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.954 -5.026 13.480 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.670 -6.629 12.668 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.429 -5.123 13.238 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.245 -5.422 11.493 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.076 -5.187 11.798 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.917 -5.679 11.015 1.00 0.00 C ATOM 1128 C PHE A 80 -13.773 -6.033 12.016 1.00 0.00 C ATOM 1129 O PHE A 80 -13.387 -5.216 12.858 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.522 -4.595 9.968 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.417 -5.025 8.988 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.708 -5.927 7.959 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.100 -4.586 9.164 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.690 -6.409 7.140 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.085 -5.061 8.337 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.378 -5.985 7.336 1.00 0.00 C ATOM 0 H PHE A 80 -15.810 -4.574 12.569 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.148 -6.584 10.453 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.409 -4.320 9.397 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.193 -3.701 10.497 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.726 -6.251 7.799 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.870 -3.876 9.944 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.918 -7.112 6.352 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.071 -4.713 8.471 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.587 -6.373 6.711 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.213 -7.250 11.912 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.104 -7.696 12.796 1.00 0.00 C ATOM 1148 C ALA A 81 -10.715 -7.057 12.471 1.00 0.00 C ATOM 1149 O ALA A 81 -10.130 -6.411 13.345 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.103 -9.238 12.783 1.00 0.00 C ATOM 0 H ALA A 81 -13.505 -7.948 11.227 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.283 -7.333 13.808 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.301 -9.607 13.422 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.060 -9.606 13.153 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.948 -9.593 11.764 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.193 -7.226 11.241 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.877 -6.657 10.867 1.00 0.00 C ATOM 1158 C GLY A 82 -8.284 -7.139 9.527 1.00 0.00 C ATOM 1159 O GLY A 82 -8.506 -8.266 9.077 1.00 0.00 O ATOM 0 H GLY A 82 -10.654 -7.746 10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.971 -5.572 10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.166 -6.888 11.660 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.437 -6.284 8.941 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.485 -6.674 7.867 1.00 0.00 C ATOM 1165 C LEU A 83 -5.077 -6.933 8.523 1.00 0.00 C ATOM 1166 O LEU A 83 -4.369 -5.950 8.787 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.410 -5.553 6.788 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.656 -5.285 5.907 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.405 -4.075 4.993 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.051 -6.487 5.032 1.00 0.00 C ATOM 0 H LEU A 83 -7.384 -5.297 9.192 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.821 -7.584 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.157 -4.622 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.579 -5.789 6.123 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.479 -5.092 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.286 -3.895 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.202 -3.195 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.549 -4.276 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.930 -6.233 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.226 -6.739 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.277 -7.342 5.669 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.613 -8.189 8.813 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.318 -8.425 9.522 1.00 0.00 C ATOM 1184 C PRO A 84 -1.997 -8.123 8.738 1.00 0.00 C ATOM 1185 O PRO A 84 -1.039 -7.624 9.339 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.457 -9.892 9.975 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.403 -10.540 8.961 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.393 -9.429 8.611 1.00 0.00 C ATOM 0 HA PRO A 84 -3.184 -7.709 10.333 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.489 -10.393 9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.861 -9.955 10.986 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.865 -10.887 8.079 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.910 -11.406 9.386 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.747 -9.517 7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.272 -9.459 9.255 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.948 -8.374 7.419 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.768 -8.068 6.571 1.00 0.00 C ATOM 1198 C LYS A 85 -0.694 -6.555 6.190 1.00 0.00 C ATOM 1199 O LYS A 85 -1.634 -5.980 5.628 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.822 -8.948 5.290 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.619 -10.465 5.513 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.635 -11.262 4.190 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.361 -12.769 4.343 1.00 0.00 C ATOM 1204 NZ LYS A 85 -1.498 -13.488 4.953 1.00 0.00 N ATOM 0 H LYS A 85 -2.722 -8.795 6.904 1.00 0.00 H new ATOM 0 HA LYS A 85 0.132 -8.294 7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.787 -8.796 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.059 -8.596 4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.330 -10.631 6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.403 -10.841 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.607 -11.130 3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.110 -10.838 3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.146 -13.198 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.528 -12.914 4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.266 -14.498 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.688 -13.098 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.342 -13.374 4.356 1.00 0.00 H new ATOM 1217 N ILE A 86 0.481 -5.943 6.423 1.00 0.00 N ATOM 1218 CA ILE A 86 0.856 -4.616 5.828 1.00 0.00 C ATOM 1219 C ILE A 86 0.668 -4.469 4.276 1.00 0.00 C ATOM 1220 O ILE A 86 0.152 -3.446 3.822 1.00 0.00 O ATOM 1221 CB ILE A 86 2.280 -4.197 6.333 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.690 -2.736 5.990 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.429 -5.139 5.874 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.825 -1.633 6.622 1.00 0.00 C ATOM 0 H ILE A 86 1.204 -6.339 7.023 1.00 0.00 H new ATOM 0 HA ILE A 86 0.120 -3.902 6.197 1.00 0.00 H new ATOM 0 HB ILE A 86 2.159 -4.282 7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.723 -2.585 6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.664 -2.616 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.378 -4.775 6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.244 -6.147 6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.472 -5.157 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.200 -0.656 6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.793 -1.745 6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.868 -1.714 7.708 1.00 0.00 H new ATOM 1236 N GLU A 87 1.035 -5.500 3.492 1.00 0.00 N ATOM 1237 CA GLU A 87 0.788 -5.574 2.023 1.00 0.00 C ATOM 1238 C GLU A 87 -0.702 -5.328 1.597 1.00 0.00 C ATOM 1239 O GLU A 87 -0.959 -4.430 0.795 1.00 0.00 O ATOM 1240 CB GLU A 87 1.324 -6.930 1.458 1.00 0.00 C ATOM 1241 CG GLU A 87 2.741 -7.435 1.859 1.00 0.00 C ATOM 1242 CD GLU A 87 3.938 -6.587 1.436 1.00 0.00 C ATOM 1243 OE1 GLU A 87 4.015 -5.408 2.115 1.00 0.00 O ATOM 1244 OE2 GLU A 87 4.762 -6.945 0.601 1.00 0.00 O ATOM 0 H GLU A 87 1.518 -6.321 3.857 1.00 0.00 H new ATOM 0 HA GLU A 87 1.341 -4.745 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.611 -7.704 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.301 -6.860 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.767 -7.536 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.872 -8.434 1.442 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.675 -6.057 2.187 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.134 -5.778 2.014 1.00 0.00 C ATOM 1253 C ASP A 88 -3.617 -4.356 2.463 1.00 0.00 C ATOM 1254 O ASP A 88 -4.378 -3.720 1.728 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.947 -6.894 2.728 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.952 -8.247 2.019 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -2.882 -9.018 2.354 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -4.824 -8.600 1.234 1.00 0.00 O ATOM 0 H ASP A 88 -1.482 -6.853 2.795 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.314 -5.781 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.545 -7.029 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.977 -6.556 2.840 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.164 -3.843 3.627 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.404 -2.429 4.046 1.00 0.00 C ATOM 1265 C ARG A 89 -2.826 -1.346 3.072 1.00 0.00 C ATOM 1266 O ARG A 89 -3.581 -0.479 2.624 1.00 0.00 O ATOM 1267 CB ARG A 89 -2.908 -2.203 5.504 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.546 -3.112 6.586 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.354 -2.654 8.043 1.00 0.00 C ATOM 1270 NE ARG A 89 -1.926 -2.650 8.479 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.290 -3.663 9.068 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.835 -4.826 9.306 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.052 -3.491 9.425 1.00 0.00 N ATOM 0 H ARG A 89 -2.626 -4.385 4.303 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.484 -2.289 4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.828 -2.348 5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.096 -1.164 5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.615 -3.187 6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.131 -4.115 6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.764 -1.651 8.158 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.925 -3.309 8.701 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.390 -1.798 8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.803 -5.000 9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.292 -5.560 9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.409 -2.598 9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.458 -4.249 9.878 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.529 -1.415 2.707 1.00 0.00 N ATOM 1288 CA ALA A 90 -0.934 -0.570 1.635 1.00 0.00 C ATOM 1289 C ALA A 90 -1.582 -0.673 0.213 1.00 0.00 C ATOM 1290 O ALA A 90 -1.805 0.363 -0.419 1.00 0.00 O ATOM 1291 CB ALA A 90 0.570 -0.896 1.617 1.00 0.00 C ATOM 0 H ALA A 90 -0.862 -2.053 3.141 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.136 0.472 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.062 -0.303 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.005 -0.661 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.710 -1.956 1.404 1.00 0.00 H new ATOM 1297 N ASN A 91 -1.946 -1.884 -0.264 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.809 -2.065 -1.466 1.00 0.00 C ATOM 1299 C ASN A 91 -4.193 -1.335 -1.386 1.00 0.00 C ATOM 1300 O ASN A 91 -4.497 -0.512 -2.253 1.00 0.00 O ATOM 1301 CB ASN A 91 -3.021 -3.584 -1.745 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.910 -4.545 -2.165 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -2.137 -5.745 -2.252 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -0.700 -4.146 -2.434 1.00 0.00 N ATOM 0 H ASN A 91 -1.655 -2.762 0.166 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.274 -1.594 -2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.455 -4.001 -0.836 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.784 -3.646 -2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.012 -4.824 -2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -0.465 -3.155 -2.375 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.019 -1.614 -0.356 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.328 -0.927 -0.154 1.00 0.00 C ATOM 1313 C LEU A 92 -6.228 0.624 0.037 1.00 0.00 C ATOM 1314 O LEU A 92 -6.957 1.352 -0.636 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.093 -1.644 0.995 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.643 -1.646 0.907 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.213 -2.480 2.057 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -9.295 -0.257 0.968 1.00 0.00 C ATOM 0 H LEU A 92 -4.808 -2.313 0.356 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.900 -1.015 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -6.753 -2.679 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.806 -1.177 1.937 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.876 -2.063 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.301 -2.484 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.842 -3.502 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.902 -2.048 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.378 -0.360 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.035 0.226 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.935 0.351 0.138 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.311 1.142 0.877 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.051 2.612 1.011 1.00 0.00 C ATOM 1332 C ILE A 93 -4.574 3.298 -0.323 1.00 0.00 C ATOM 1333 O ILE A 93 -5.065 4.386 -0.626 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.145 2.847 2.274 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -4.872 2.458 3.601 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.620 4.303 2.407 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -3.957 2.245 4.816 1.00 0.00 C ATOM 0 H ILE A 93 -4.726 0.568 1.484 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.989 3.138 1.188 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.289 2.192 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.593 3.239 3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.439 1.543 3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.003 4.387 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.024 4.556 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.464 4.989 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.561 1.979 5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.252 1.441 4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.408 3.164 5.024 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.709 2.671 -1.149 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.502 3.083 -2.567 1.00 0.00 C ATOM 1351 C ALA A 94 -4.773 3.145 -3.485 1.00 0.00 C ATOM 1352 O ALA A 94 -4.943 4.124 -4.217 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.427 2.142 -3.135 1.00 0.00 C ATOM 0 H ALA A 94 -3.139 1.875 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.194 4.129 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.233 2.398 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.508 2.249 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.776 1.111 -3.074 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.685 2.155 -3.417 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.054 2.275 -4.002 1.00 0.00 C ATOM 1361 C TYR A 95 -7.970 3.389 -3.382 1.00 0.00 C ATOM 1362 O TYR A 95 -8.617 4.103 -4.147 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.690 0.860 -4.004 1.00 0.00 C ATOM 1364 CG TYR A 95 -9.034 0.737 -4.738 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.088 0.827 -6.134 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.214 0.533 -4.017 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.308 0.724 -6.796 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.431 0.420 -4.683 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.477 0.515 -6.072 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.663 0.383 -6.741 1.00 0.00 O ATOM 0 H TYR A 95 -5.507 1.259 -2.964 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.954 2.643 -5.023 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.984 0.165 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.830 0.543 -2.971 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.180 0.977 -6.699 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.181 0.463 -2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.347 0.806 -7.872 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.340 0.259 -4.123 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.263 -0.200 -6.231 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.007 3.588 -2.049 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.631 4.799 -1.426 1.00 0.00 C ATOM 1382 C LEU A 96 -8.003 6.182 -1.842 1.00 0.00 C ATOM 1383 O LEU A 96 -8.744 7.153 -1.990 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.685 4.665 0.125 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.377 3.429 0.759 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.268 3.479 2.294 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -10.849 3.268 0.343 1.00 0.00 C ATOM 0 H LEU A 96 -7.615 2.932 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.641 4.820 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.659 4.689 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.183 5.554 0.513 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.847 2.557 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.758 2.605 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.217 3.484 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.751 4.384 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.268 2.384 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.412 4.149 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.911 3.156 -0.739 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.675 6.276 -2.059 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.025 7.431 -2.755 1.00 0.00 C ATOM 1401 C GLU A 97 -6.401 7.610 -4.272 1.00 0.00 C ATOM 1402 O GLU A 97 -6.554 8.747 -4.721 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.485 7.338 -2.564 1.00 0.00 C ATOM 1404 CG GLU A 97 -3.982 7.568 -1.115 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.480 7.375 -0.933 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.125 6.060 -0.889 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.680 8.298 -0.823 1.00 0.00 O ATOM 0 H GLU A 97 -6.014 5.559 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.423 8.330 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.153 6.354 -2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.010 8.070 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.246 8.580 -0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.508 6.885 -0.448 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.586 6.528 -5.056 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.316 6.597 -6.359 1.00 0.00 C ATOM 1416 C GLY A 98 -8.815 7.005 -6.327 1.00 0.00 C ATOM 1417 O GLY A 98 -9.253 7.806 -7.152 1.00 0.00 O ATOM 0 H GLY A 98 -6.245 5.596 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.790 7.303 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.245 5.619 -6.835 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.594 6.467 -5.377 1.00 0.00 N ATOM 1422 CA GLN A 99 -10.996 6.901 -5.098 1.00 0.00 C ATOM 1423 C GLN A 99 -11.054 8.083 -4.063 1.00 0.00 C ATOM 1424 O GLN A 99 -11.633 7.969 -2.976 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.781 5.643 -4.612 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.877 4.409 -5.553 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.719 4.607 -6.816 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.921 4.365 -6.842 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -12.123 5.047 -7.897 1.00 0.00 N ATOM 0 H GLN A 99 -9.278 5.712 -4.769 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.456 7.299 -6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.327 5.311 -3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.798 5.959 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.869 4.122 -5.851 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.292 3.574 -4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.124 5.250 -7.882 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.659 5.186 -8.754 1.00 0.00 H new ATOM 1438 N GLN A 100 -10.443 9.221 -4.423 1.00 0.00 N ATOM 1439 CA GLN A 100 -10.259 10.389 -3.520 1.00 0.00 C ATOM 1440 C GLN A 100 -10.845 11.678 -4.156 1.00 0.00 C ATOM 1441 O GLN A 100 -10.360 12.133 -5.219 1.00 0.00 O ATOM 1442 CB GLN A 100 -8.751 10.505 -3.176 1.00 0.00 C ATOM 1443 CG GLN A 100 -8.401 11.475 -2.018 1.00 0.00 C ATOM 1444 CD GLN A 100 -6.906 11.590 -1.681 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -6.020 10.937 -2.225 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -6.564 12.419 -0.727 1.00 0.00 N ATOM 1447 OXT GLN A 100 -11.785 12.258 -3.565 1.00 0.00 O ATOM 0 H GLN A 100 -10.056 9.368 -5.355 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.810 10.248 -2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.378 9.513 -2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.216 10.827 -4.070 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.776 12.467 -2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.934 11.152 -1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.277 12.976 -0.255 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.585 12.508 -0.455 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.238 0.171 7.322 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.696 3.187 8.900 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.345 1.710 6.165 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.320 -2.777 6.203 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.053 -1.039 8.185 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.206 1.870 7.621 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.553 2.983 8.240 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.706 4.044 8.160 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.714 3.597 7.411 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.106 2.344 7.059 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.462 4.413 7.025 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.831 5.519 8.630 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.582 6.347 7.554 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.675 7.864 7.740 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.607 8.584 6.715 1.00 0.00 O HETATM 1472 O2A HEC A 101 -15.840 8.346 8.883 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.727 -0.348 6.353 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.629 0.338 5.756 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.844 -0.426 4.898 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.305 -1.722 5.014 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.402 -1.660 5.898 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.713 0.051 3.974 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.825 -2.947 4.209 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.454 -3.449 4.688 1.00 0.00 C HETATM 1481 NC HEC A 101 -16.913 -1.567 7.410 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.489 -2.650 6.843 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.366 -3.682 6.864 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.486 -3.166 7.377 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.143 -1.886 7.674 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.236 -5.131 6.367 1.00 0.00 C HETATM 1487 CAC HEC A 101 -19.876 -3.868 7.420 1.00 0.00 C HETATM 1488 CBC HEC A 101 -19.939 -5.161 8.248 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.632 1.000 8.162 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.834 0.375 8.534 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.657 1.141 9.376 1.00 0.00 C HETATM 1492 C3D HEC A 101 -18.982 2.321 9.608 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.782 2.207 8.895 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.024 0.743 9.942 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.449 3.500 10.482 1.00 0.00 C HETATM 1496 CBD HEC A 101 -18.836 3.480 11.900 1.00 0.00 C HETATM 1497 CGD HEC A 101 -19.264 4.618 12.835 1.00 0.00 C HETATM 1498 O1D HEC A 101 -20.395 5.136 12.715 1.00 0.00 O HETATM 1499 O2D HEC A 101 -18.472 4.983 13.726 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.716 0.552 9.122 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -20.919 -0.158 10.546 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.411 1.552 10.562 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.034 -5.132 5.296 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.417 -5.623 6.891 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.165 -5.667 6.561 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.107 0.776 3.262 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -10.928 0.517 4.570 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.300 -0.801 3.434 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.764 5.302 6.471 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -11.930 4.712 7.928 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.807 3.803 6.403 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -19.094 2.532 12.372 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -17.750 3.504 11.805 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.240 -5.890 7.838 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -19.673 -4.944 9.282 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -20.950 -5.568 8.211 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.715 -2.656 4.573 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.518 -3.736 5.738 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.155 -4.312 4.094 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -15.101 6.159 6.594 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -16.598 5.958 7.484 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -19.184 4.436 9.991 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.536 3.478 10.562 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.367 5.565 9.578 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.841 5.941 8.803 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.052 -1.438 8.358 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.024 -3.776 5.884 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.491 2.229 5.730 1.00 0.00 H new HETATM 0 HHA HEC A 101 -16.824 4.113 9.460 1.00 0.00 H new HETATM 0 H2A HEC A 101 -16.798 8.398 9.081 1.00 0.00 H new