USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=16 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 Set 1.1: A 47 SER OG : rot 149:sc= 1.55 USER MOD Set 1.2: A 50 MET CE :methyl -178:sc= 0 (180deg=-0.0017) USER MOD Set 1.3: A 76 THR OG1 : rot 48:sc= 0.719 USER MOD Set 1.4: A 101 HEC O2D : rot -136:sc= 0.928 USER MOD Set 2.1: A 45 ASN : amide:sc= 0.394 K(o=0.82,f=-0.25) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -162:sc= 0.431 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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+ -125:sc= 0.479 (180deg=-0.127) USER MOD Single : A 23 ASN : amide:sc= 0.418 X(o=0.42,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.704 K(o=0.7,f=-2.8!) USER MOD Single : A 31 ASN : amide:sc= 1.11 K(o=1.1,f=-0.35) USER MOD Single : A 37 THR OG1 : rot -20:sc= 1.2 USER MOD Single : A 46 TYR OH : rot -25:sc= 1.17 USER MOD Single : A 53 HIS : no HD1:sc=-0.00523 K(o=-0.0052,f=-1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.817 K(o=0.82,f=-6.7!) USER MOD Single : A 67 THR OG1 : rot 96:sc= 1.19 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.11) 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+ 178:sc= 0.173 (180deg=0.172) USER MOD Single : A 78 MET CE :methyl -176:sc=-0.00956 (180deg=-0.0558) USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= 0.489 (180deg=0.404) USER MOD Single : A 91 ASN : amide:sc= 0.986 K(o=0.99,f=-5!) USER MOD Single : A 95 TYR OH : rot 36:sc= 1.22 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 100 GLN : amide:sc= 0.311 K(o=0.31,f=-1.4!) USER MOD Single : A 101 HEC O2A : rot -105:sc= 0.778 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.508 0.408 -0.410 1.00 0.00 N ATOM 2 CA MET A 1 1.499 1.204 0.365 1.00 0.00 C ATOM 3 C MET A 1 2.951 1.159 -0.208 1.00 0.00 C ATOM 4 O MET A 1 3.572 2.216 -0.327 1.00 0.00 O ATOM 5 CB MET A 1 1.389 0.811 1.863 1.00 0.00 C ATOM 6 CG MET A 1 2.135 1.746 2.836 1.00 0.00 C ATOM 7 SD MET A 1 1.924 1.143 4.522 1.00 0.00 S ATOM 8 CE MET A 1 2.903 2.368 5.405 1.00 0.00 C ATOM 0 H1 MET A 1 -0.428 0.491 0.035 1.00 0.00 H new ATOM 0 H2 MET A 1 0.461 0.767 -1.385 1.00 0.00 H new ATOM 0 H3 MET A 1 0.798 -0.591 -0.422 1.00 0.00 H new ATOM 0 HA MET A 1 1.249 2.260 0.265 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.335 0.787 2.141 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.774 -0.201 1.987 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.194 1.785 2.581 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.749 2.762 2.750 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.884 2.148 6.472 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.932 2.338 5.047 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.487 3.360 5.231 1.00 0.00 H new ATOM 19 N ALA A 2 3.496 -0.033 -0.519 1.00 0.00 N ATOM 20 CA ALA A 2 4.874 -0.192 -1.066 1.00 0.00 C ATOM 21 C ALA A 2 4.895 -0.804 -2.508 1.00 0.00 C ATOM 22 O ALA A 2 5.326 -1.941 -2.728 1.00 0.00 O ATOM 23 CB ALA A 2 5.655 -1.009 -0.015 1.00 0.00 C ATOM 0 H ALA A 2 3.001 -0.917 -0.401 1.00 0.00 H new ATOM 0 HA ALA A 2 5.355 0.774 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.678 -1.160 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.666 -0.468 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.173 -1.976 0.126 1.00 0.00 H new ATOM 29 N ASP A 3 4.445 -0.022 -3.504 1.00 0.00 N ATOM 30 CA ASP A 3 4.355 -0.453 -4.923 1.00 0.00 C ATOM 31 C ASP A 3 5.538 0.147 -5.775 1.00 0.00 C ATOM 32 O ASP A 3 5.591 1.376 -5.918 1.00 0.00 O ATOM 33 CB ASP A 3 2.956 -0.017 -5.435 1.00 0.00 C ATOM 34 CG ASP A 3 2.625 -0.484 -6.852 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.964 0.120 -7.865 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.932 -1.655 -6.864 1.00 0.00 O ATOM 0 H ASP A 3 4.129 0.936 -3.353 1.00 0.00 H new ATOM 0 HA ASP A 3 4.458 -1.534 -5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.198 -0.402 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.893 1.071 -5.401 1.00 0.00 H new ATOM 41 N PRO A 4 6.456 -0.645 -6.408 1.00 0.00 N ATOM 42 CA PRO A 4 7.555 -0.085 -7.251 1.00 0.00 C ATOM 43 C PRO A 4 7.183 0.577 -8.624 1.00 0.00 C ATOM 44 O PRO A 4 7.887 1.495 -9.050 1.00 0.00 O ATOM 45 CB PRO A 4 8.519 -1.282 -7.367 1.00 0.00 C ATOM 46 CG PRO A 4 7.675 -2.538 -7.153 1.00 0.00 C ATOM 47 CD PRO A 4 6.537 -2.108 -6.230 1.00 0.00 C ATOM 0 HA PRO A 4 7.978 0.803 -6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.000 -1.300 -8.345 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.312 -1.216 -6.622 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.291 -2.919 -8.099 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.265 -3.336 -6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.600 -2.594 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.745 -2.372 -5.193 1.00 0.00 H new ATOM 55 N ALA A 5 6.089 0.166 -9.296 1.00 0.00 N ATOM 56 CA ALA A 5 5.548 0.882 -10.490 1.00 0.00 C ATOM 57 C ALA A 5 4.996 2.325 -10.225 1.00 0.00 C ATOM 58 O ALA A 5 5.369 3.263 -10.937 1.00 0.00 O ATOM 59 CB ALA A 5 4.502 -0.045 -11.139 1.00 0.00 C ATOM 0 H ALA A 5 5.553 -0.662 -9.037 1.00 0.00 H new ATOM 0 HA ALA A 5 6.377 1.081 -11.169 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.080 0.442 -12.018 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.978 -0.980 -11.435 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.707 -0.253 -10.423 1.00 0.00 H new ATOM 65 N ALA A 6 4.173 2.528 -9.175 1.00 0.00 N ATOM 66 CA ALA A 6 3.950 3.875 -8.577 1.00 0.00 C ATOM 67 C ALA A 6 5.220 4.607 -8.018 1.00 0.00 C ATOM 68 O ALA A 6 5.348 5.819 -8.202 1.00 0.00 O ATOM 69 CB ALA A 6 2.864 3.708 -7.500 1.00 0.00 C ATOM 0 H ALA A 6 3.649 1.781 -8.719 1.00 0.00 H new ATOM 0 HA ALA A 6 3.640 4.544 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.665 4.672 -7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.950 3.333 -7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.207 3.001 -6.744 1.00 0.00 H new ATOM 75 N GLY A 7 6.176 3.891 -7.394 1.00 0.00 N ATOM 76 CA GLY A 7 7.516 4.443 -7.052 1.00 0.00 C ATOM 77 C GLY A 7 8.410 5.004 -8.182 1.00 0.00 C ATOM 78 O GLY A 7 9.088 6.005 -7.955 1.00 0.00 O ATOM 0 H GLY A 7 6.049 2.919 -7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.367 5.241 -6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.077 3.655 -6.550 1.00 0.00 H new ATOM 82 N GLU A 8 8.389 4.413 -9.389 1.00 0.00 N ATOM 83 CA GLU A 8 8.918 5.063 -10.628 1.00 0.00 C ATOM 84 C GLU A 8 8.242 6.426 -11.017 1.00 0.00 C ATOM 85 O GLU A 8 8.946 7.381 -11.354 1.00 0.00 O ATOM 86 CB GLU A 8 8.865 4.012 -11.771 1.00 0.00 C ATOM 87 CG GLU A 8 9.628 4.424 -13.057 1.00 0.00 C ATOM 88 CD GLU A 8 9.805 3.290 -14.065 1.00 0.00 C ATOM 89 OE1 GLU A 8 8.921 2.906 -14.823 1.00 0.00 O ATOM 90 OE2 GLU A 8 11.060 2.752 -14.037 1.00 0.00 O ATOM 0 H GLU A 8 8.011 3.479 -9.546 1.00 0.00 H new ATOM 0 HA GLU A 8 9.946 5.368 -10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.278 3.073 -11.404 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.822 3.824 -12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.093 5.243 -13.538 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.610 4.805 -12.778 1.00 0.00 H new ATOM 97 N LYS A 9 6.902 6.530 -10.925 1.00 0.00 N ATOM 98 CA LYS A 9 6.165 7.828 -11.019 1.00 0.00 C ATOM 99 C LYS A 9 6.549 8.881 -9.916 1.00 0.00 C ATOM 100 O LYS A 9 6.781 10.046 -10.246 1.00 0.00 O ATOM 101 CB LYS A 9 4.631 7.563 -11.039 1.00 0.00 C ATOM 102 CG LYS A 9 4.106 6.626 -12.155 1.00 0.00 C ATOM 103 CD LYS A 9 2.596 6.331 -12.030 1.00 0.00 C ATOM 104 CE LYS A 9 2.089 5.233 -12.985 1.00 0.00 C ATOM 105 NZ LYS A 9 2.510 3.885 -12.546 1.00 0.00 N ATOM 0 H LYS A 9 6.291 5.725 -10.784 1.00 0.00 H new ATOM 0 HA LYS A 9 6.475 8.288 -11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.345 7.140 -10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.120 8.522 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.303 7.080 -13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.658 5.687 -12.124 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.378 6.034 -11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.040 7.249 -12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.001 5.274 -13.041 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.467 5.422 -13.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.150 3.174 -13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.549 3.838 -12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.128 3.694 -11.598 1.00 0.00 H new ATOM 118 N VAL A 10 6.686 8.472 -8.634 1.00 0.00 N ATOM 119 CA VAL A 10 7.325 9.308 -7.564 1.00 0.00 C ATOM 120 C VAL A 10 8.832 9.666 -7.861 1.00 0.00 C ATOM 121 O VAL A 10 9.199 10.835 -7.719 1.00 0.00 O ATOM 122 CB VAL A 10 7.117 8.691 -6.133 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.615 9.626 -5.004 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.652 8.337 -5.775 1.00 0.00 C ATOM 0 H VAL A 10 6.363 7.563 -8.303 1.00 0.00 H new ATOM 0 HA VAL A 10 6.800 10.263 -7.576 1.00 0.00 H new ATOM 0 HB VAL A 10 7.704 7.774 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.447 9.151 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.680 9.818 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.069 10.568 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.614 7.919 -4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.039 9.238 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.270 7.605 -6.487 1.00 0.00 H new ATOM 134 N PHE A 11 9.688 8.718 -8.307 1.00 0.00 N ATOM 135 CA PHE A 11 11.057 9.031 -8.821 1.00 0.00 C ATOM 136 C PHE A 11 11.130 10.046 -10.021 1.00 0.00 C ATOM 137 O PHE A 11 12.123 10.765 -10.104 1.00 0.00 O ATOM 138 CB PHE A 11 11.834 7.705 -9.097 1.00 0.00 C ATOM 139 CG PHE A 11 13.371 7.856 -9.210 1.00 0.00 C ATOM 140 CD1 PHE A 11 13.945 8.230 -10.427 1.00 0.00 C ATOM 141 CD2 PHE A 11 14.201 7.684 -8.098 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.304 8.526 -10.513 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.566 7.952 -8.188 1.00 0.00 C ATOM 144 CZ PHE A 11 16.112 8.399 -9.389 1.00 0.00 C ATOM 0 H PHE A 11 9.461 7.724 -8.324 1.00 0.00 H new ATOM 0 HA PHE A 11 11.554 9.584 -8.024 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.612 6.999 -8.297 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.458 7.268 -10.022 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.329 8.291 -11.312 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.782 7.341 -7.163 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.728 8.853 -11.451 1.00 0.00 H new ATOM 0 HE2 PHE A 11 16.201 7.813 -7.326 1.00 0.00 H new ATOM 0 HZ PHE A 11 17.162 8.647 -9.447 1.00 0.00 H new ATOM 154 N GLY A 12 10.104 10.197 -10.884 1.00 0.00 N ATOM 155 CA GLY A 12 9.950 11.397 -11.768 1.00 0.00 C ATOM 156 C GLY A 12 10.134 12.824 -11.168 1.00 0.00 C ATOM 157 O GLY A 12 10.689 13.693 -11.840 1.00 0.00 O ATOM 0 H GLY A 12 9.362 9.507 -10.996 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.663 11.293 -12.586 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.953 11.354 -12.206 1.00 0.00 H new ATOM 161 N LYS A 13 9.745 13.044 -9.899 1.00 0.00 N ATOM 162 CA LYS A 13 10.206 14.218 -9.085 1.00 0.00 C ATOM 163 C LYS A 13 11.764 14.345 -8.864 1.00 0.00 C ATOM 164 O LYS A 13 12.297 15.456 -8.815 1.00 0.00 O ATOM 165 CB LYS A 13 9.498 14.170 -7.698 1.00 0.00 C ATOM 166 CG LYS A 13 7.949 14.211 -7.679 1.00 0.00 C ATOM 167 CD LYS A 13 7.393 13.977 -6.258 1.00 0.00 C ATOM 168 CE LYS A 13 5.857 13.945 -6.150 1.00 0.00 C ATOM 169 NZ LYS A 13 5.295 12.679 -6.669 1.00 0.00 N ATOM 0 H LYS A 13 9.107 12.426 -9.398 1.00 0.00 H new ATOM 0 HA LYS A 13 9.936 15.097 -9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.816 13.259 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.863 15.009 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.605 15.176 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.556 13.451 -8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.787 13.033 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.771 14.763 -5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.563 14.073 -5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.436 14.784 -6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.259 12.696 -6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.554 12.569 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.677 11.880 -6.123 1.00 0.00 H new ATOM 182 N CYS A 14 12.475 13.214 -8.714 1.00 0.00 N ATOM 183 CA CYS A 14 13.958 13.148 -8.683 1.00 0.00 C ATOM 184 C CYS A 14 14.697 13.171 -10.081 1.00 0.00 C ATOM 185 O CYS A 14 15.890 13.497 -10.112 1.00 0.00 O ATOM 186 CB CYS A 14 14.314 11.865 -7.881 1.00 0.00 C ATOM 187 SG CYS A 14 13.129 11.414 -6.567 1.00 0.00 S ATOM 0 H CYS A 14 12.033 12.301 -8.609 1.00 0.00 H new ATOM 0 HA CYS A 14 14.320 14.065 -8.218 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.394 11.031 -8.578 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.298 11.999 -7.431 1.00 0.00 H new ATOM 192 N LYS A 15 14.030 12.839 -11.219 1.00 0.00 N ATOM 193 CA LYS A 15 14.656 12.762 -12.581 1.00 0.00 C ATOM 194 C LYS A 15 14.990 14.148 -13.249 1.00 0.00 C ATOM 195 O LYS A 15 14.463 14.554 -14.290 1.00 0.00 O ATOM 196 CB LYS A 15 13.734 11.933 -13.532 1.00 0.00 C ATOM 197 CG LYS A 15 13.578 10.426 -13.259 1.00 0.00 C ATOM 198 CD LYS A 15 12.741 9.704 -14.341 1.00 0.00 C ATOM 199 CE LYS A 15 12.349 8.250 -14.011 1.00 0.00 C ATOM 200 NZ LYS A 15 13.513 7.337 -14.013 1.00 0.00 N ATOM 0 H LYS A 15 13.035 12.614 -11.224 1.00 0.00 H new ATOM 0 HA LYS A 15 15.620 12.276 -12.429 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.741 12.381 -13.507 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.111 12.050 -14.548 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.565 9.967 -13.204 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.106 10.285 -12.287 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.831 10.278 -14.515 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.304 9.708 -15.275 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.868 8.219 -13.033 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.616 7.901 -14.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.198 6.372 -13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.958 7.344 -14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.203 7.652 -13.301 1.00 0.00 H new ATOM 213 N ALA A 16 15.955 14.831 -12.645 1.00 0.00 N ATOM 214 CA ALA A 16 16.624 16.041 -13.191 1.00 0.00 C ATOM 215 C ALA A 16 18.036 16.156 -12.537 1.00 0.00 C ATOM 216 O ALA A 16 19.054 16.127 -13.233 1.00 0.00 O ATOM 217 CB ALA A 16 15.738 17.293 -12.998 1.00 0.00 C ATOM 0 H ALA A 16 16.317 14.562 -11.730 1.00 0.00 H new ATOM 0 HA ALA A 16 16.764 15.959 -14.269 1.00 0.00 H new ATOM 0 HB1 ALA A 16 16.248 18.166 -13.405 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.790 17.152 -13.517 1.00 0.00 H new ATOM 0 HB3 ALA A 16 15.550 17.445 -11.935 1.00 0.00 H new ATOM 223 N CYS A 17 18.090 16.213 -11.191 1.00 0.00 N ATOM 224 CA CYS A 17 19.335 16.043 -10.416 1.00 0.00 C ATOM 225 C CYS A 17 19.927 14.590 -10.356 1.00 0.00 C ATOM 226 O CYS A 17 21.148 14.453 -10.481 1.00 0.00 O ATOM 227 CB CYS A 17 19.030 16.584 -9.003 1.00 0.00 C ATOM 228 SG CYS A 17 18.122 18.164 -9.000 1.00 0.00 S ATOM 0 H CYS A 17 17.269 16.379 -10.609 1.00 0.00 H new ATOM 0 HA CYS A 17 20.126 16.591 -10.927 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.449 15.841 -8.457 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.968 16.714 -8.464 1.00 0.00 H new ATOM 233 N HIS A 18 19.108 13.536 -10.133 1.00 0.00 N ATOM 234 CA HIS A 18 19.606 12.155 -9.856 1.00 0.00 C ATOM 235 C HIS A 18 19.266 11.176 -11.016 1.00 0.00 C ATOM 236 O HIS A 18 18.153 11.180 -11.555 1.00 0.00 O ATOM 237 CB HIS A 18 18.948 11.610 -8.566 1.00 0.00 C ATOM 238 CG HIS A 18 19.409 12.237 -7.259 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.508 11.821 -6.551 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.599 13.017 -6.450 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.223 12.319 -5.314 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.053 13.036 -5.120 1.00 0.00 N ATOM 0 H HIS A 18 18.091 13.610 -10.138 1.00 0.00 H new ATOM 0 HA HIS A 18 20.689 12.218 -9.748 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.870 11.745 -8.649 1.00 0.00 H new ATOM 0 HB3 HIS A 18 19.132 10.537 -8.515 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.317 11.285 -6.864 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.725 13.546 -6.799 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.904 12.156 -4.492 1.00 0.00 H new ATOM 250 N LYS A 19 20.229 10.309 -11.373 1.00 0.00 N ATOM 251 CA LYS A 19 20.116 9.437 -12.576 1.00 0.00 C ATOM 252 C LYS A 19 20.478 7.966 -12.198 1.00 0.00 C ATOM 253 O LYS A 19 21.577 7.673 -11.714 1.00 0.00 O ATOM 254 CB LYS A 19 21.036 9.997 -13.700 1.00 0.00 C ATOM 255 CG LYS A 19 20.664 11.409 -14.235 1.00 0.00 C ATOM 256 CD LYS A 19 21.846 12.184 -14.856 1.00 0.00 C ATOM 257 CE LYS A 19 21.530 13.665 -15.146 1.00 0.00 C ATOM 258 NZ LYS A 19 21.517 14.478 -13.908 1.00 0.00 N ATOM 0 H LYS A 19 21.097 10.186 -10.852 1.00 0.00 H new ATOM 0 HA LYS A 19 19.092 9.434 -12.949 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.059 10.029 -13.325 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.025 9.297 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.879 11.306 -14.984 1.00 0.00 H new ATOM 0 HG3 LYS A 19 20.249 11.997 -13.417 1.00 0.00 H new ATOM 0 HD2 LYS A 19 22.700 12.129 -14.181 1.00 0.00 H new ATOM 0 HD3 LYS A 19 22.142 11.696 -15.785 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.272 14.066 -15.836 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.561 13.740 -15.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.608 14.977 -13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.643 13.857 -13.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 22.291 15.172 -13.940 1.00 0.00 H new ATOM 271 N LEU A 20 19.551 7.027 -12.447 1.00 0.00 N ATOM 272 CA LEU A 20 19.728 5.583 -12.090 1.00 0.00 C ATOM 273 C LEU A 20 20.737 4.737 -12.940 1.00 0.00 C ATOM 274 O LEU A 20 21.067 3.628 -12.516 1.00 0.00 O ATOM 275 CB LEU A 20 18.322 4.914 -12.087 1.00 0.00 C ATOM 276 CG LEU A 20 17.362 5.364 -10.956 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.910 5.014 -11.298 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.720 4.760 -9.589 1.00 0.00 C ATOM 0 H LEU A 20 18.659 7.230 -12.898 1.00 0.00 H new ATOM 0 HA LEU A 20 20.203 5.590 -11.109 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.843 5.115 -13.045 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.455 3.834 -12.017 1.00 0.00 H new ATOM 0 HG LEU A 20 17.475 6.446 -10.881 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.257 5.340 -10.489 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.622 5.517 -12.221 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.816 3.936 -11.428 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.012 5.112 -8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.674 3.673 -9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.728 5.066 -9.309 1.00 0.00 H new ATOM 290 N ASP A 21 21.256 5.221 -14.084 1.00 0.00 N ATOM 291 CA ASP A 21 22.264 4.472 -14.899 1.00 0.00 C ATOM 292 C ASP A 21 23.726 4.983 -14.643 1.00 0.00 C ATOM 293 O ASP A 21 24.416 5.429 -15.564 1.00 0.00 O ATOM 294 CB ASP A 21 21.830 4.535 -16.392 1.00 0.00 C ATOM 295 CG ASP A 21 20.567 3.746 -16.740 1.00 0.00 C ATOM 296 OD1 ASP A 21 20.556 2.541 -16.966 1.00 0.00 O ATOM 297 OD2 ASP A 21 19.454 4.531 -16.768 1.00 0.00 O ATOM 0 H ASP A 21 21.001 6.128 -14.475 1.00 0.00 H new ATOM 0 HA ASP A 21 22.289 3.426 -14.595 1.00 0.00 H new ATOM 0 HB2 ASP A 21 21.673 5.579 -16.664 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.650 4.166 -17.007 1.00 0.00 H new ATOM 302 N GLY A 22 24.202 4.924 -13.382 1.00 0.00 N ATOM 303 CA GLY A 22 25.580 5.361 -13.000 1.00 0.00 C ATOM 304 C GLY A 22 26.051 6.823 -13.229 1.00 0.00 C ATOM 305 O GLY A 22 27.255 7.073 -13.168 1.00 0.00 O ATOM 0 H GLY A 22 23.653 4.575 -12.596 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.698 5.151 -11.937 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.278 4.714 -13.532 1.00 0.00 H new ATOM 309 N ASN A 23 25.137 7.774 -13.476 1.00 0.00 N ATOM 310 CA ASN A 23 25.485 9.178 -13.825 1.00 0.00 C ATOM 311 C ASN A 23 25.266 10.126 -12.604 1.00 0.00 C ATOM 312 O ASN A 23 24.206 10.140 -11.967 1.00 0.00 O ATOM 313 CB ASN A 23 24.652 9.609 -15.065 1.00 0.00 C ATOM 314 CG ASN A 23 25.225 9.203 -16.427 1.00 0.00 C ATOM 315 OD1 ASN A 23 25.869 9.991 -17.108 1.00 0.00 O ATOM 316 ND2 ASN A 23 25.018 7.994 -16.888 1.00 0.00 N ATOM 0 H ASN A 23 24.132 7.600 -13.442 1.00 0.00 H new ATOM 0 HA ASN A 23 26.543 9.247 -14.080 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.652 9.186 -14.972 1.00 0.00 H new ATOM 0 HB3 ASN A 23 24.543 10.693 -15.047 1.00 0.00 H new ATOM 0 HD21 ASN A 23 25.391 7.725 -17.798 1.00 0.00 H new ATOM 0 HD22 ASN A 23 24.484 7.322 -16.336 1.00 0.00 H new ATOM 323 N ASP A 24 26.295 10.929 -12.299 1.00 0.00 N ATOM 324 CA ASP A 24 26.316 11.832 -11.116 1.00 0.00 C ATOM 325 C ASP A 24 26.311 13.307 -11.625 1.00 0.00 C ATOM 326 O ASP A 24 27.338 13.804 -12.100 1.00 0.00 O ATOM 327 CB ASP A 24 27.578 11.494 -10.272 1.00 0.00 C ATOM 328 CG ASP A 24 27.548 10.138 -9.565 1.00 0.00 C ATOM 329 OD1 ASP A 24 27.897 9.110 -10.387 1.00 0.00 O ATOM 330 OD2 ASP A 24 27.214 9.989 -8.395 1.00 0.00 O ATOM 0 H ASP A 24 27.144 10.978 -12.862 1.00 0.00 H new ATOM 0 HA ASP A 24 25.442 11.698 -10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.450 11.526 -10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.713 12.273 -9.522 1.00 0.00 H new ATOM 335 N GLY A 25 25.150 13.987 -11.567 1.00 0.00 N ATOM 336 CA GLY A 25 25.000 15.360 -12.127 1.00 0.00 C ATOM 337 C GLY A 25 24.929 16.445 -11.039 1.00 0.00 C ATOM 338 O GLY A 25 25.941 16.762 -10.411 1.00 0.00 O ATOM 0 H GLY A 25 24.300 13.617 -11.141 1.00 0.00 H new ATOM 0 HA2 GLY A 25 25.840 15.571 -12.789 1.00 0.00 H new ATOM 0 HA3 GLY A 25 24.096 15.402 -12.735 1.00 0.00 H new ATOM 342 N VAL A 26 23.728 16.993 -10.795 1.00 0.00 N ATOM 343 CA VAL A 26 23.474 17.853 -9.590 1.00 0.00 C ATOM 344 C VAL A 26 23.404 16.994 -8.275 1.00 0.00 C ATOM 345 O VAL A 26 24.051 17.360 -7.293 1.00 0.00 O ATOM 346 CB VAL A 26 22.252 18.819 -9.797 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.968 19.736 -8.582 1.00 0.00 C ATOM 348 CG2 VAL A 26 22.384 19.746 -11.030 1.00 0.00 C ATOM 0 H VAL A 26 22.915 16.868 -11.398 1.00 0.00 H new ATOM 0 HA VAL A 26 24.331 18.514 -9.462 1.00 0.00 H new ATOM 0 HB VAL A 26 21.428 18.120 -9.942 1.00 0.00 H new ATOM 0 HG11 VAL A 26 21.111 20.374 -8.800 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.751 19.124 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.841 20.357 -8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.501 20.381 -11.104 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.272 20.369 -10.923 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.472 19.141 -11.932 1.00 0.00 H new ATOM 358 N GLY A 27 22.658 15.871 -8.259 1.00 0.00 N ATOM 359 CA GLY A 27 22.795 14.829 -7.211 1.00 0.00 C ATOM 360 C GLY A 27 23.516 13.526 -7.677 1.00 0.00 C ATOM 361 O GLY A 27 23.675 13.311 -8.887 1.00 0.00 O ATOM 0 H GLY A 27 21.950 15.658 -8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.344 15.250 -6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.802 14.568 -6.846 1.00 0.00 H new ATOM 365 N PRO A 28 23.944 12.601 -6.769 1.00 0.00 N ATOM 366 CA PRO A 28 24.616 11.333 -7.173 1.00 0.00 C ATOM 367 C PRO A 28 23.696 10.258 -7.845 1.00 0.00 C ATOM 368 O PRO A 28 22.467 10.375 -7.874 1.00 0.00 O ATOM 369 CB PRO A 28 25.214 10.870 -5.825 1.00 0.00 C ATOM 370 CG PRO A 28 24.255 11.412 -4.766 1.00 0.00 C ATOM 371 CD PRO A 28 23.882 12.789 -5.306 1.00 0.00 C ATOM 0 HA PRO A 28 25.343 11.484 -7.971 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.284 9.783 -5.776 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.221 11.261 -5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.379 10.774 -4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.731 11.478 -3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.888 13.094 -4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.578 13.557 -4.968 1.00 0.00 H new ATOM 379 N HIS A 29 24.290 9.165 -8.351 1.00 0.00 N ATOM 380 CA HIS A 29 23.510 8.014 -8.890 1.00 0.00 C ATOM 381 C HIS A 29 22.772 7.210 -7.762 1.00 0.00 C ATOM 382 O HIS A 29 23.403 6.730 -6.812 1.00 0.00 O ATOM 383 CB HIS A 29 24.401 7.147 -9.821 1.00 0.00 C ATOM 384 CG HIS A 29 25.538 6.327 -9.198 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.853 6.763 -9.099 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.420 5.003 -8.747 1.00 0.00 C ATOM 387 CE1 HIS A 29 27.418 5.630 -8.564 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.642 4.533 -8.308 1.00 0.00 N ATOM 0 H HIS A 29 25.301 9.044 -8.403 1.00 0.00 H new ATOM 0 HA HIS A 29 22.701 8.400 -9.511 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.748 6.455 -10.353 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.841 7.808 -10.567 1.00 0.00 H new ATOM 0 HD1 HIS A 29 27.274 7.658 -9.349 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.503 4.432 -8.744 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.475 5.606 -8.346 1.00 0.00 H new ATOM 396 N LEU A 30 21.436 7.081 -7.847 1.00 0.00 N ATOM 397 CA LEU A 30 20.628 6.381 -6.794 1.00 0.00 C ATOM 398 C LEU A 30 20.383 4.845 -6.974 1.00 0.00 C ATOM 399 O LEU A 30 19.679 4.261 -6.144 1.00 0.00 O ATOM 400 CB LEU A 30 19.307 7.169 -6.551 1.00 0.00 C ATOM 401 CG LEU A 30 19.432 8.548 -5.850 1.00 0.00 C ATOM 402 CD1 LEU A 30 18.063 9.243 -5.816 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.968 8.474 -4.407 1.00 0.00 C ATOM 0 H LEU A 30 20.882 7.445 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 30 21.257 6.392 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.820 7.321 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.644 6.543 -5.954 1.00 0.00 H new ATOM 0 HG LEU A 30 20.157 9.110 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.158 10.210 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.704 9.389 -6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.354 8.624 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 30 20.025 9.479 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 30 19.297 7.866 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.961 8.025 -4.410 1.00 0.00 H new ATOM 415 N ASN A 31 21.010 4.152 -7.953 1.00 0.00 N ATOM 416 CA ASN A 31 21.067 2.662 -7.956 1.00 0.00 C ATOM 417 C ASN A 31 21.893 2.112 -6.743 1.00 0.00 C ATOM 418 O ASN A 31 23.011 2.570 -6.468 1.00 0.00 O ATOM 419 CB ASN A 31 21.505 2.093 -9.334 1.00 0.00 C ATOM 420 CG ASN A 31 22.970 2.260 -9.775 1.00 0.00 C ATOM 421 OD1 ASN A 31 23.915 1.820 -9.134 1.00 0.00 O ATOM 422 ND2 ASN A 31 23.227 2.854 -10.908 1.00 0.00 N ATOM 0 H ASN A 31 21.480 4.590 -8.745 1.00 0.00 H new ATOM 0 HA ASN A 31 20.053 2.291 -7.810 1.00 0.00 H new ATOM 0 HB2 ASN A 31 21.279 1.027 -9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.877 2.554 -10.096 1.00 0.00 H new ATOM 0 HD21 ASN A 31 24.190 2.939 -11.232 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.465 3.233 -11.469 1.00 0.00 H new ATOM 429 N GLY A 32 21.302 1.188 -5.975 1.00 0.00 N ATOM 430 CA GLY A 32 21.967 0.630 -4.769 1.00 0.00 C ATOM 431 C GLY A 32 21.990 1.487 -3.484 1.00 0.00 C ATOM 432 O GLY A 32 22.873 1.257 -2.661 1.00 0.00 O ATOM 0 H GLY A 32 20.373 0.808 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.482 -0.316 -4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.999 0.401 -5.034 1.00 0.00 H new ATOM 436 N VAL A 33 21.057 2.438 -3.284 1.00 0.00 N ATOM 437 CA VAL A 33 21.058 3.344 -2.092 1.00 0.00 C ATOM 438 C VAL A 33 20.494 2.737 -0.757 1.00 0.00 C ATOM 439 O VAL A 33 20.896 3.187 0.318 1.00 0.00 O ATOM 440 CB VAL A 33 20.458 4.740 -2.476 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.926 4.747 -2.664 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.843 5.861 -1.481 1.00 0.00 C ATOM 0 H VAL A 33 20.285 2.608 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 33 22.104 3.486 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 33 20.914 4.945 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.596 5.752 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.654 4.055 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.444 4.439 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.397 6.802 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.476 5.607 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.928 5.965 -1.452 1.00 0.00 H new ATOM 452 N VAL A 34 19.585 1.744 -0.795 1.00 0.00 N ATOM 453 CA VAL A 34 18.905 1.201 0.421 1.00 0.00 C ATOM 454 C VAL A 34 19.888 0.238 1.175 1.00 0.00 C ATOM 455 O VAL A 34 20.186 -0.865 0.707 1.00 0.00 O ATOM 456 CB VAL A 34 17.522 0.548 0.063 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.709 0.196 1.333 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.611 1.419 -0.839 1.00 0.00 C ATOM 0 H VAL A 34 19.295 1.290 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 34 18.660 2.014 1.105 1.00 0.00 H new ATOM 0 HB VAL A 34 17.799 -0.347 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.759 -0.253 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.274 -0.510 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.521 1.103 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.679 0.889 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.394 2.361 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.119 1.620 -1.782 1.00 0.00 H new ATOM 468 N GLY A 35 20.444 0.708 2.304 1.00 0.00 N ATOM 469 CA GLY A 35 21.686 0.127 2.891 1.00 0.00 C ATOM 470 C GLY A 35 23.047 0.814 2.589 1.00 0.00 C ATOM 471 O GLY A 35 24.041 0.418 3.199 1.00 0.00 O ATOM 0 H GLY A 35 20.061 1.489 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.560 0.104 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.757 -0.908 2.556 1.00 0.00 H new ATOM 475 N ARG A 36 23.135 1.814 1.690 1.00 0.00 N ATOM 476 CA ARG A 36 24.424 2.461 1.309 1.00 0.00 C ATOM 477 C ARG A 36 24.888 3.544 2.328 1.00 0.00 C ATOM 478 O ARG A 36 24.082 4.321 2.845 1.00 0.00 O ATOM 479 CB ARG A 36 24.235 3.062 -0.109 1.00 0.00 C ATOM 480 CG ARG A 36 25.517 3.536 -0.843 1.00 0.00 C ATOM 481 CD ARG A 36 25.301 3.880 -2.333 1.00 0.00 C ATOM 482 NE ARG A 36 24.685 5.224 -2.532 1.00 0.00 N ATOM 483 CZ ARG A 36 24.261 5.701 -3.706 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.173 4.984 -4.797 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.921 6.954 -3.793 1.00 0.00 N ATOM 0 H ARG A 36 22.325 2.200 1.205 1.00 0.00 H new ATOM 0 HA ARG A 36 25.217 1.713 1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 36 23.743 2.315 -0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.555 3.910 -0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 36 25.911 4.414 -0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.275 2.756 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.259 3.844 -2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 36 24.663 3.122 -2.788 1.00 0.00 H new ATOM 0 HE ARG A 36 24.580 5.822 -1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.437 3.999 -4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.841 5.410 -5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.980 7.557 -2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.595 7.334 -4.682 1.00 0.00 H new ATOM 499 N THR A 37 26.205 3.629 2.567 1.00 0.00 N ATOM 500 CA THR A 37 26.801 4.586 3.545 1.00 0.00 C ATOM 501 C THR A 37 26.514 6.093 3.222 1.00 0.00 C ATOM 502 O THR A 37 26.539 6.517 2.060 1.00 0.00 O ATOM 503 CB THR A 37 28.309 4.222 3.711 1.00 0.00 C ATOM 504 OG1 THR A 37 28.440 2.855 4.110 1.00 0.00 O ATOM 505 CG2 THR A 37 29.071 5.031 4.772 1.00 0.00 C ATOM 0 H THR A 37 26.895 3.044 2.096 1.00 0.00 H new ATOM 0 HA THR A 37 26.309 4.475 4.511 1.00 0.00 H new ATOM 0 HB THR A 37 28.738 4.444 2.734 1.00 0.00 H new ATOM 0 HG1 THR A 37 27.592 2.542 4.490 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.109 4.699 4.806 1.00 0.00 H new ATOM 0 HG22 THR A 37 29.037 6.090 4.516 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.609 4.878 5.747 1.00 0.00 H new ATOM 513 N VAL A 38 26.217 6.893 4.267 1.00 0.00 N ATOM 514 CA VAL A 38 25.939 8.357 4.117 1.00 0.00 C ATOM 515 C VAL A 38 27.241 9.117 3.671 1.00 0.00 C ATOM 516 O VAL A 38 28.290 9.009 4.311 1.00 0.00 O ATOM 517 CB VAL A 38 25.284 8.983 5.398 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.885 10.463 5.186 1.00 0.00 C ATOM 519 CG2 VAL A 38 24.008 8.267 5.902 1.00 0.00 C ATOM 0 H VAL A 38 26.161 6.560 5.229 1.00 0.00 H new ATOM 0 HA VAL A 38 25.196 8.476 3.328 1.00 0.00 H new ATOM 0 HB VAL A 38 26.072 8.871 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.436 10.853 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.772 11.047 4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.166 10.533 4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.632 8.775 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.247 8.289 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.245 7.232 6.149 1.00 0.00 H new ATOM 529 N ALA A 39 27.160 9.834 2.530 1.00 0.00 N ATOM 530 CA ALA A 39 28.352 10.294 1.752 1.00 0.00 C ATOM 531 C ALA A 39 29.270 9.154 1.175 1.00 0.00 C ATOM 532 O ALA A 39 30.496 9.181 1.317 1.00 0.00 O ATOM 533 CB ALA A 39 29.101 11.417 2.502 1.00 0.00 C ATOM 0 H ALA A 39 26.272 10.115 2.115 1.00 0.00 H new ATOM 0 HA ALA A 39 27.962 10.732 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.963 11.734 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.432 12.265 2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.437 11.046 3.470 1.00 0.00 H new ATOM 539 N GLY A 40 28.666 8.159 0.496 1.00 0.00 N ATOM 540 CA GLY A 40 29.382 6.922 0.069 1.00 0.00 C ATOM 541 C GLY A 40 29.875 6.800 -1.391 1.00 0.00 C ATOM 542 O GLY A 40 30.691 5.917 -1.665 1.00 0.00 O ATOM 0 H GLY A 40 27.682 8.180 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.249 6.805 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.721 6.077 0.264 1.00 0.00 H new ATOM 546 N VAL A 41 29.399 7.633 -2.332 1.00 0.00 N ATOM 547 CA VAL A 41 29.844 7.588 -3.757 1.00 0.00 C ATOM 548 C VAL A 41 31.170 8.407 -3.916 1.00 0.00 C ATOM 549 O VAL A 41 31.149 9.628 -4.107 1.00 0.00 O ATOM 550 CB VAL A 41 28.684 8.038 -4.714 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.104 8.099 -6.202 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.438 7.123 -4.654 1.00 0.00 C ATOM 0 H VAL A 41 28.702 8.353 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 41 30.076 6.565 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 41 28.441 9.033 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.255 8.417 -6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.921 8.811 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.433 7.112 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.679 7.496 -5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.718 6.109 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 41 27.038 7.119 -3.640 1.00 0.00 H new ATOM 562 N ASP A 42 32.322 7.707 -3.884 1.00 0.00 N ATOM 563 CA ASP A 42 33.656 8.320 -4.137 1.00 0.00 C ATOM 564 C ASP A 42 33.816 8.715 -5.646 1.00 0.00 C ATOM 565 O ASP A 42 33.889 7.857 -6.531 1.00 0.00 O ATOM 566 CB ASP A 42 34.723 7.314 -3.631 1.00 0.00 C ATOM 567 CG ASP A 42 36.143 7.877 -3.588 1.00 0.00 C ATOM 568 OD1 ASP A 42 36.514 8.728 -2.787 1.00 0.00 O ATOM 569 OD2 ASP A 42 36.948 7.336 -4.543 1.00 0.00 O ATOM 0 H ASP A 42 32.362 6.708 -3.684 1.00 0.00 H new ATOM 0 HA ASP A 42 33.779 9.258 -3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.446 6.980 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.712 6.435 -4.275 1.00 0.00 H new ATOM 574 N GLY A 43 33.782 10.026 -5.921 1.00 0.00 N ATOM 575 CA GLY A 43 33.428 10.544 -7.272 1.00 0.00 C ATOM 576 C GLY A 43 32.528 11.797 -7.226 1.00 0.00 C ATOM 577 O GLY A 43 32.893 12.835 -7.782 1.00 0.00 O ATOM 0 H GLY A 43 33.992 10.753 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.343 10.782 -7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.920 9.760 -7.833 1.00 0.00 H new ATOM 581 N PHE A 44 31.365 11.710 -6.554 1.00 0.00 N ATOM 582 CA PHE A 44 30.541 12.902 -6.227 1.00 0.00 C ATOM 583 C PHE A 44 31.067 13.602 -4.926 1.00 0.00 C ATOM 584 O PHE A 44 31.176 12.972 -3.868 1.00 0.00 O ATOM 585 CB PHE A 44 29.062 12.432 -6.106 1.00 0.00 C ATOM 586 CG PHE A 44 28.045 13.575 -5.926 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.518 14.245 -7.035 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.698 14.002 -4.640 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.663 15.329 -6.859 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.855 15.094 -4.464 1.00 0.00 C ATOM 591 CZ PHE A 44 26.334 15.753 -5.574 1.00 0.00 C ATOM 0 H PHE A 44 30.970 10.829 -6.224 1.00 0.00 H new ATOM 0 HA PHE A 44 30.610 13.654 -7.013 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.799 11.865 -6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.978 11.750 -5.260 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.776 13.920 -8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.087 13.480 -3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.255 15.841 -7.718 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.605 15.430 -3.468 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.672 16.596 -5.438 1.00 0.00 H new ATOM 601 N ASN A 45 31.335 14.921 -4.992 1.00 0.00 N ATOM 602 CA ASN A 45 31.653 15.727 -3.782 1.00 0.00 C ATOM 603 C ASN A 45 30.346 16.145 -3.029 1.00 0.00 C ATOM 604 O ASN A 45 29.524 16.912 -3.541 1.00 0.00 O ATOM 605 CB ASN A 45 32.531 16.937 -4.197 1.00 0.00 C ATOM 606 CG ASN A 45 33.097 17.723 -3.004 1.00 0.00 C ATOM 607 OD1 ASN A 45 33.903 17.228 -2.223 1.00 0.00 O ATOM 608 ND2 ASN A 45 32.670 18.945 -2.797 1.00 0.00 N ATOM 0 H ASN A 45 31.339 15.454 -5.862 1.00 0.00 H new ATOM 0 HA ASN A 45 32.225 15.129 -3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 45 33.357 16.582 -4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 45 31.938 17.610 -4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 45 33.008 19.474 -1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 45 32.000 19.367 -3.440 1.00 0.00 H new ATOM 615 N TYR A 46 30.194 15.643 -1.797 1.00 0.00 N ATOM 616 CA TYR A 46 29.036 15.962 -0.915 1.00 0.00 C ATOM 617 C TYR A 46 29.275 17.255 -0.050 1.00 0.00 C ATOM 618 O TYR A 46 30.396 17.765 0.057 1.00 0.00 O ATOM 619 CB TYR A 46 28.770 14.699 -0.035 1.00 0.00 C ATOM 620 CG TYR A 46 28.261 13.434 -0.762 1.00 0.00 C ATOM 621 CD1 TYR A 46 26.890 13.220 -0.926 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.163 12.474 -1.237 1.00 0.00 C ATOM 623 CE1 TYR A 46 26.427 12.056 -1.533 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.697 11.315 -1.856 1.00 0.00 C ATOM 625 CZ TYR A 46 27.329 11.093 -1.984 1.00 0.00 C ATOM 626 OH TYR A 46 26.890 9.905 -2.518 1.00 0.00 O ATOM 0 H TYR A 46 30.865 15.002 -1.372 1.00 0.00 H new ATOM 0 HA TYR A 46 28.158 16.195 -1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 46 29.696 14.444 0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.042 14.966 0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 46 26.186 13.962 -0.580 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.225 12.632 -1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 46 25.366 11.898 -1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.399 10.588 -2.237 1.00 0.00 H new ATOM 0 HH TYR A 46 25.997 9.701 -2.171 1.00 0.00 H new ATOM 636 N SER A 47 28.223 17.787 0.609 1.00 0.00 N ATOM 637 CA SER A 47 28.391 18.866 1.630 1.00 0.00 C ATOM 638 C SER A 47 29.005 18.347 2.977 1.00 0.00 C ATOM 639 O SER A 47 28.848 17.177 3.349 1.00 0.00 O ATOM 640 CB SER A 47 27.071 19.665 1.813 1.00 0.00 C ATOM 641 OG SER A 47 26.113 19.016 2.655 1.00 0.00 O ATOM 0 H SER A 47 27.256 17.497 0.461 1.00 0.00 H new ATOM 0 HA SER A 47 29.133 19.567 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 47 27.305 20.643 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.623 19.837 0.834 1.00 0.00 H new ATOM 0 HG SER A 47 25.575 19.691 3.119 1.00 0.00 H new ATOM 647 N ASP A 48 29.709 19.221 3.725 1.00 0.00 N ATOM 648 CA ASP A 48 30.378 18.831 5.002 1.00 0.00 C ATOM 649 C ASP A 48 29.475 18.217 6.136 1.00 0.00 C ATOM 650 O ASP A 48 29.966 17.256 6.736 1.00 0.00 O ATOM 651 CB ASP A 48 31.226 20.009 5.555 1.00 0.00 C ATOM 652 CG ASP A 48 32.499 19.629 6.325 1.00 0.00 C ATOM 653 OD1 ASP A 48 32.321 18.584 7.196 1.00 0.00 O ATOM 654 OD2 ASP A 48 33.561 20.223 6.173 1.00 0.00 O ATOM 0 H ASP A 48 29.834 20.202 3.475 1.00 0.00 H new ATOM 0 HA ASP A 48 31.011 17.994 4.708 1.00 0.00 H new ATOM 0 HB2 ASP A 48 31.510 20.648 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 48 30.594 20.606 6.212 1.00 0.00 H new ATOM 659 N PRO A 49 28.236 18.678 6.489 1.00 0.00 N ATOM 660 CA PRO A 49 27.326 17.912 7.388 1.00 0.00 C ATOM 661 C PRO A 49 26.748 16.567 6.841 1.00 0.00 C ATOM 662 O PRO A 49 26.484 15.676 7.646 1.00 0.00 O ATOM 663 CB PRO A 49 26.252 18.944 7.767 1.00 0.00 C ATOM 664 CG PRO A 49 26.304 20.031 6.696 1.00 0.00 C ATOM 665 CD PRO A 49 27.674 19.959 6.026 1.00 0.00 C ATOM 0 HA PRO A 49 27.880 17.520 8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.265 18.482 7.804 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.446 19.362 8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.512 19.883 5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.147 21.014 7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.588 19.987 4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.304 20.799 6.317 1.00 0.00 H new ATOM 673 N MET A 50 26.600 16.376 5.514 1.00 0.00 N ATOM 674 CA MET A 50 26.426 15.020 4.907 1.00 0.00 C ATOM 675 C MET A 50 27.663 14.071 5.093 1.00 0.00 C ATOM 676 O MET A 50 27.486 12.928 5.522 1.00 0.00 O ATOM 677 CB MET A 50 25.999 15.228 3.429 1.00 0.00 C ATOM 678 CG MET A 50 25.552 13.960 2.672 1.00 0.00 C ATOM 679 SD MET A 50 24.097 13.213 3.434 1.00 0.00 S ATOM 680 CE MET A 50 22.778 14.158 2.655 1.00 0.00 C ATOM 0 H MET A 50 26.596 17.137 4.834 1.00 0.00 H new ATOM 0 HA MET A 50 25.644 14.478 5.439 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.182 15.949 3.405 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.834 15.675 2.889 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.331 14.213 1.635 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.368 13.237 2.657 1.00 0.00 H new ATOM 0 HE1 MET A 50 21.816 13.835 3.052 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.919 15.219 2.862 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.800 13.993 1.578 1.00 0.00 H new ATOM 690 N LYS A 51 28.900 14.549 4.843 1.00 0.00 N ATOM 691 CA LYS A 51 30.156 13.842 5.251 1.00 0.00 C ATOM 692 C LYS A 51 30.301 13.532 6.782 1.00 0.00 C ATOM 693 O LYS A 51 30.631 12.400 7.142 1.00 0.00 O ATOM 694 CB LYS A 51 31.389 14.616 4.700 1.00 0.00 C ATOM 695 CG LYS A 51 31.511 14.682 3.159 1.00 0.00 C ATOM 696 CD LYS A 51 32.735 15.490 2.687 1.00 0.00 C ATOM 697 CE LYS A 51 32.836 15.524 1.155 1.00 0.00 C ATOM 698 NZ LYS A 51 33.981 16.350 0.724 1.00 0.00 N ATOM 0 H LYS A 51 29.068 15.430 4.356 1.00 0.00 H new ATOM 0 HA LYS A 51 30.097 12.851 4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.357 15.635 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.292 14.153 5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.576 13.669 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.606 15.129 2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.669 16.508 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 51 33.643 15.052 3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.948 14.510 0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.914 15.924 0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 33.863 16.613 -0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.026 17.211 1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.862 15.809 0.838 1.00 0.00 H new ATOM 711 N ALA A 52 30.031 14.504 7.672 1.00 0.00 N ATOM 712 CA ALA A 52 30.003 14.274 9.142 1.00 0.00 C ATOM 713 C ALA A 52 28.803 13.475 9.761 1.00 0.00 C ATOM 714 O ALA A 52 28.919 13.045 10.912 1.00 0.00 O ATOM 715 CB ALA A 52 30.107 15.676 9.765 1.00 0.00 C ATOM 0 H ALA A 52 29.827 15.466 7.403 1.00 0.00 H new ATOM 0 HA ALA A 52 30.827 13.598 9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.093 15.593 10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.038 16.146 9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.264 16.284 9.437 1.00 0.00 H new ATOM 721 N HIS A 53 27.679 13.258 9.046 1.00 0.00 N ATOM 722 CA HIS A 53 26.512 12.478 9.559 1.00 0.00 C ATOM 723 C HIS A 53 26.816 10.974 9.883 1.00 0.00 C ATOM 724 O HIS A 53 26.533 10.529 10.998 1.00 0.00 O ATOM 725 CB HIS A 53 25.342 12.684 8.553 1.00 0.00 C ATOM 726 CG HIS A 53 23.971 12.156 8.980 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.465 10.920 8.610 1.00 0.00 N ATOM 728 CD2 HIS A 53 23.015 12.879 9.710 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.220 11.007 9.176 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.853 12.142 9.848 1.00 0.00 N ATOM 0 H HIS A 53 27.546 13.613 8.099 1.00 0.00 H new ATOM 0 HA HIS A 53 26.232 12.860 10.541 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.249 13.751 8.353 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.613 12.206 7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 53 23.166 13.872 10.108 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.529 10.181 9.092 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.977 12.376 10.315 1.00 0.00 H new ATOM 738 N GLY A 54 27.380 10.207 8.930 1.00 0.00 N ATOM 739 CA GLY A 54 27.729 8.782 9.160 1.00 0.00 C ATOM 740 C GLY A 54 26.561 7.769 9.116 1.00 0.00 C ATOM 741 O GLY A 54 25.398 8.101 8.871 1.00 0.00 O ATOM 0 H GLY A 54 27.605 10.545 7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.465 8.486 8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.213 8.702 10.133 1.00 0.00 H new ATOM 745 N GLY A 55 26.899 6.491 9.338 1.00 0.00 N ATOM 746 CA GLY A 55 25.914 5.383 9.215 1.00 0.00 C ATOM 747 C GLY A 55 25.518 5.013 7.766 1.00 0.00 C ATOM 748 O GLY A 55 26.281 5.221 6.818 1.00 0.00 O ATOM 0 H GLY A 55 27.837 6.190 9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.325 4.497 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 55 25.012 5.657 9.763 1.00 0.00 H new ATOM 752 N ASP A 56 24.317 4.441 7.602 1.00 0.00 N ATOM 753 CA ASP A 56 23.817 3.984 6.273 1.00 0.00 C ATOM 754 C ASP A 56 22.371 4.486 5.979 1.00 0.00 C ATOM 755 O ASP A 56 21.555 4.705 6.882 1.00 0.00 O ATOM 756 CB ASP A 56 23.895 2.435 6.162 1.00 0.00 C ATOM 757 CG ASP A 56 25.289 1.799 6.258 1.00 0.00 C ATOM 758 OD1 ASP A 56 26.249 2.114 5.557 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.345 0.835 7.217 1.00 0.00 O ATOM 0 H ASP A 56 23.663 4.278 8.368 1.00 0.00 H new ATOM 0 HA ASP A 56 24.467 4.425 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.273 2.007 6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.453 2.141 5.210 1.00 0.00 H new ATOM 764 N TRP A 57 22.032 4.588 4.681 1.00 0.00 N ATOM 765 CA TRP A 57 20.658 4.913 4.214 1.00 0.00 C ATOM 766 C TRP A 57 19.676 3.704 4.320 1.00 0.00 C ATOM 767 O TRP A 57 19.273 3.077 3.335 1.00 0.00 O ATOM 768 CB TRP A 57 20.750 5.489 2.773 1.00 0.00 C ATOM 769 CG TRP A 57 21.266 6.927 2.670 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.463 7.322 2.043 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.722 8.082 3.208 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.672 8.707 2.163 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.594 9.153 2.903 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.575 8.300 4.018 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.338 10.446 3.410 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.354 9.580 4.524 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.224 10.637 4.227 1.00 0.00 C ATOM 0 H TRP A 57 22.698 4.449 3.921 1.00 0.00 H new ATOM 0 HA TRP A 57 20.229 5.667 4.874 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.402 4.844 2.184 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.761 5.443 2.318 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.135 6.647 1.534 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.445 9.258 1.789 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.891 7.493 4.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.992 11.271 3.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.497 9.760 5.156 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.029 11.617 4.638 1.00 0.00 H new ATOM 788 N THR A 58 19.260 3.423 5.558 1.00 0.00 N ATOM 789 CA THR A 58 18.217 2.415 5.886 1.00 0.00 C ATOM 790 C THR A 58 16.773 2.900 5.483 1.00 0.00 C ATOM 791 O THR A 58 16.564 4.115 5.354 1.00 0.00 O ATOM 792 CB THR A 58 18.322 2.076 7.411 1.00 0.00 C ATOM 793 OG1 THR A 58 18.083 3.222 8.222 1.00 0.00 O ATOM 794 CG2 THR A 58 19.662 1.464 7.864 1.00 0.00 C ATOM 0 H THR A 58 19.637 3.891 6.382 1.00 0.00 H new ATOM 0 HA THR A 58 18.391 1.512 5.301 1.00 0.00 H new ATOM 0 HB THR A 58 17.551 1.318 7.545 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.155 2.974 9.167 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.629 1.268 8.936 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.835 0.530 7.329 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.472 2.161 7.648 1.00 0.00 H new ATOM 802 N PRO A 59 15.730 2.035 5.297 1.00 0.00 N ATOM 803 CA PRO A 59 14.348 2.506 4.969 1.00 0.00 C ATOM 804 C PRO A 59 13.662 3.506 5.969 1.00 0.00 C ATOM 805 O PRO A 59 12.947 4.410 5.528 1.00 0.00 O ATOM 806 CB PRO A 59 13.596 1.181 4.731 1.00 0.00 C ATOM 807 CG PRO A 59 14.390 0.104 5.470 1.00 0.00 C ATOM 808 CD PRO A 59 15.845 0.566 5.395 1.00 0.00 C ATOM 0 HA PRO A 59 14.349 3.169 4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.575 1.239 5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.531 0.956 3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.059 0.009 6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.261 -0.872 5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.409 0.265 6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.357 0.144 4.530 1.00 0.00 H new ATOM 816 N GLU A 60 13.948 3.405 7.282 1.00 0.00 N ATOM 817 CA GLU A 60 13.634 4.476 8.271 1.00 0.00 C ATOM 818 C GLU A 60 14.416 5.822 8.051 1.00 0.00 C ATOM 819 O GLU A 60 13.776 6.871 7.941 1.00 0.00 O ATOM 820 CB GLU A 60 13.771 3.895 9.705 1.00 0.00 C ATOM 821 CG GLU A 60 12.874 4.574 10.771 1.00 0.00 C ATOM 822 CD GLU A 60 13.256 5.982 11.240 1.00 0.00 C ATOM 823 OE1 GLU A 60 14.408 6.377 11.389 1.00 0.00 O ATOM 824 OE2 GLU A 60 12.160 6.750 11.497 1.00 0.00 O ATOM 0 H GLU A 60 14.400 2.588 7.693 1.00 0.00 H new ATOM 0 HA GLU A 60 12.600 4.783 8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.534 2.832 9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.811 3.981 10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.859 4.617 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.847 3.926 11.647 1.00 0.00 H new ATOM 831 N ALA A 61 15.765 5.805 7.950 1.00 0.00 N ATOM 832 CA ALA A 61 16.570 7.011 7.595 1.00 0.00 C ATOM 833 C ALA A 61 16.236 7.705 6.229 1.00 0.00 C ATOM 834 O ALA A 61 16.103 8.932 6.188 1.00 0.00 O ATOM 835 CB ALA A 61 18.054 6.604 7.687 1.00 0.00 C ATOM 0 H ALA A 61 16.327 4.969 8.109 1.00 0.00 H new ATOM 0 HA ALA A 61 16.309 7.793 8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.682 7.458 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.279 6.276 8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.252 5.790 6.990 1.00 0.00 H new ATOM 841 N LEU A 62 16.038 6.932 5.140 1.00 0.00 N ATOM 842 CA LEU A 62 15.448 7.442 3.869 1.00 0.00 C ATOM 843 C LEU A 62 14.036 8.096 4.009 1.00 0.00 C ATOM 844 O LEU A 62 13.869 9.224 3.545 1.00 0.00 O ATOM 845 CB LEU A 62 15.426 6.304 2.806 1.00 0.00 C ATOM 846 CG LEU A 62 16.787 5.873 2.204 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.632 4.546 1.446 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.363 6.935 1.246 1.00 0.00 C ATOM 0 H LEU A 62 16.279 5.941 5.110 1.00 0.00 H new ATOM 0 HA LEU A 62 16.098 8.256 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.964 5.427 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.779 6.618 1.987 1.00 0.00 H new ATOM 0 HG LEU A 62 17.481 5.755 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.594 4.252 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.284 3.774 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.908 4.669 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.317 6.588 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.666 7.099 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.513 7.869 1.787 1.00 0.00 H new ATOM 860 N GLN A 63 13.035 7.454 4.650 1.00 0.00 N ATOM 861 CA GLN A 63 11.699 8.089 4.876 1.00 0.00 C ATOM 862 C GLN A 63 11.671 9.353 5.811 1.00 0.00 C ATOM 863 O GLN A 63 10.887 10.273 5.568 1.00 0.00 O ATOM 864 CB GLN A 63 10.641 6.990 5.178 1.00 0.00 C ATOM 865 CG GLN A 63 10.462 6.491 6.635 1.00 0.00 C ATOM 866 CD GLN A 63 9.567 7.346 7.545 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.674 8.074 7.114 1.00 0.00 O ATOM 868 NE2 GLN A 63 9.762 7.267 8.838 1.00 0.00 N ATOM 0 H GLN A 63 13.115 6.507 5.020 1.00 0.00 H new ATOM 0 HA GLN A 63 11.413 8.569 3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.675 7.363 4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.883 6.124 4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.051 5.482 6.602 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.448 6.419 7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.499 6.667 9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.176 7.806 9.476 1.00 0.00 H new ATOM 877 N GLU A 64 12.541 9.440 6.834 1.00 0.00 N ATOM 878 CA GLU A 64 12.857 10.728 7.530 1.00 0.00 C ATOM 879 C GLU A 64 13.492 11.830 6.614 1.00 0.00 C ATOM 880 O GLU A 64 12.927 12.923 6.515 1.00 0.00 O ATOM 881 CB GLU A 64 13.728 10.459 8.793 1.00 0.00 C ATOM 882 CG GLU A 64 13.126 9.575 9.913 1.00 0.00 C ATOM 883 CD GLU A 64 11.895 10.130 10.626 1.00 0.00 C ATOM 884 OE1 GLU A 64 10.761 9.982 9.880 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.929 10.624 11.748 1.00 0.00 O ATOM 0 H GLU A 64 13.046 8.637 7.208 1.00 0.00 H new ATOM 0 HA GLU A 64 11.898 11.148 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.659 9.996 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.989 11.422 9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.865 8.608 9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.900 9.393 10.659 1.00 0.00 H new ATOM 892 N PHE A 65 14.625 11.561 5.933 1.00 0.00 N ATOM 893 CA PHE A 65 15.236 12.518 4.959 1.00 0.00 C ATOM 894 C PHE A 65 14.336 12.926 3.742 1.00 0.00 C ATOM 895 O PHE A 65 14.295 14.103 3.386 1.00 0.00 O ATOM 896 CB PHE A 65 16.604 11.915 4.535 1.00 0.00 C ATOM 897 CG PHE A 65 17.506 12.831 3.688 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.231 13.863 4.293 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.616 12.634 2.307 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.038 14.698 3.524 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.430 13.466 1.543 1.00 0.00 C ATOM 902 CZ PHE A 65 19.132 14.504 2.148 1.00 0.00 C ATOM 0 H PHE A 65 15.144 10.689 6.033 1.00 0.00 H new ATOM 0 HA PHE A 65 15.364 13.479 5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.149 11.631 5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.418 11.000 3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.165 14.013 5.360 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.068 11.834 1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.591 15.497 3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.517 13.305 0.479 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.749 15.159 1.551 1.00 0.00 H new ATOM 912 N LEU A 66 13.597 11.992 3.125 1.00 0.00 N ATOM 913 CA LEU A 66 12.574 12.324 2.090 1.00 0.00 C ATOM 914 C LEU A 66 11.235 12.944 2.626 1.00 0.00 C ATOM 915 O LEU A 66 10.511 13.550 1.834 1.00 0.00 O ATOM 916 CB LEU A 66 12.347 11.086 1.174 1.00 0.00 C ATOM 917 CG LEU A 66 13.603 10.474 0.490 1.00 0.00 C ATOM 918 CD1 LEU A 66 13.266 9.139 -0.187 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.243 11.447 -0.510 1.00 0.00 C ATOM 0 H LEU A 66 13.680 10.994 3.317 1.00 0.00 H new ATOM 0 HA LEU A 66 12.987 13.144 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.872 10.306 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.639 11.367 0.394 1.00 0.00 H new ATOM 0 HG LEU A 66 14.336 10.285 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.162 8.733 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.897 8.435 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.499 9.299 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.117 10.979 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.521 11.698 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.547 12.355 0.010 1.00 0.00 H new ATOM 931 N THR A 67 10.926 12.885 3.941 1.00 0.00 N ATOM 932 CA THR A 67 9.991 13.842 4.600 1.00 0.00 C ATOM 933 C THR A 67 10.595 15.290 4.645 1.00 0.00 C ATOM 934 O THR A 67 10.047 16.182 3.998 1.00 0.00 O ATOM 935 CB THR A 67 9.578 13.325 6.017 1.00 0.00 C ATOM 936 OG1 THR A 67 9.091 11.992 5.980 1.00 0.00 O ATOM 937 CG2 THR A 67 8.458 14.146 6.664 1.00 0.00 C ATOM 0 H THR A 67 11.309 12.183 4.574 1.00 0.00 H new ATOM 0 HA THR A 67 9.082 13.902 4.001 1.00 0.00 H new ATOM 0 HB THR A 67 10.498 13.407 6.596 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.818 11.372 6.199 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.223 13.731 7.644 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.783 15.180 6.776 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.570 14.111 6.033 1.00 0.00 H new ATOM 945 N ASN A 68 11.700 15.515 5.389 1.00 0.00 N ATOM 946 CA ASN A 68 12.330 16.855 5.528 1.00 0.00 C ATOM 947 C ASN A 68 13.882 16.731 5.319 1.00 0.00 C ATOM 948 O ASN A 68 14.572 16.333 6.269 1.00 0.00 O ATOM 949 CB ASN A 68 12.022 17.443 6.933 1.00 0.00 C ATOM 950 CG ASN A 68 10.611 17.951 7.237 1.00 0.00 C ATOM 951 OD1 ASN A 68 9.732 18.087 6.395 1.00 0.00 O ATOM 952 ND2 ASN A 68 10.374 18.308 8.476 1.00 0.00 N ATOM 0 H ASN A 68 12.181 14.781 5.909 1.00 0.00 H new ATOM 0 HA ASN A 68 11.922 17.526 4.772 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.260 16.675 7.669 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.712 18.270 7.101 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.465 18.694 8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.099 18.199 9.186 1.00 0.00 H new ATOM 959 N PRO A 69 14.501 17.077 4.152 1.00 0.00 N ATOM 960 CA PRO A 69 15.960 16.851 3.936 1.00 0.00 C ATOM 961 C PRO A 69 16.916 17.830 4.690 1.00 0.00 C ATOM 962 O PRO A 69 17.810 17.381 5.413 1.00 0.00 O ATOM 963 CB PRO A 69 16.071 16.830 2.400 1.00 0.00 C ATOM 964 CG PRO A 69 14.885 17.648 1.887 1.00 0.00 C ATOM 965 CD PRO A 69 13.774 17.468 2.925 1.00 0.00 C ATOM 0 HA PRO A 69 16.316 15.924 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.016 17.262 2.070 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.036 15.809 2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.153 18.699 1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.564 17.298 0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.209 18.389 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.062 16.701 2.620 1.00 0.00 H new ATOM 973 N LYS A 70 16.692 19.149 4.562 1.00 0.00 N ATOM 974 CA LYS A 70 17.435 20.196 5.330 1.00 0.00 C ATOM 975 C LYS A 70 17.136 20.308 6.868 1.00 0.00 C ATOM 976 O LYS A 70 17.976 20.850 7.590 1.00 0.00 O ATOM 977 CB LYS A 70 17.261 21.556 4.598 1.00 0.00 C ATOM 978 CG LYS A 70 17.969 21.655 3.222 1.00 0.00 C ATOM 979 CD LYS A 70 17.696 22.985 2.497 1.00 0.00 C ATOM 980 CE LYS A 70 18.419 23.049 1.143 1.00 0.00 C ATOM 981 NZ LYS A 70 18.084 24.301 0.439 1.00 0.00 N ATOM 0 H LYS A 70 15.993 19.533 3.926 1.00 0.00 H new ATOM 0 HA LYS A 70 18.477 19.875 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.196 21.741 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.640 22.349 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.044 21.539 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.640 20.830 2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.623 23.103 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.021 23.815 3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.496 22.988 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.135 22.193 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.580 24.329 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.058 24.344 0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.377 25.114 1.018 1.00 0.00 H new ATOM 994 N ALA A 71 16.007 19.785 7.390 1.00 0.00 N ATOM 995 CA ALA A 71 15.853 19.520 8.851 1.00 0.00 C ATOM 996 C ALA A 71 16.637 18.271 9.384 1.00 0.00 C ATOM 997 O ALA A 71 17.256 18.361 10.447 1.00 0.00 O ATOM 998 CB ALA A 71 14.350 19.433 9.183 1.00 0.00 C ATOM 0 H ALA A 71 15.189 19.537 6.833 1.00 0.00 H new ATOM 0 HA ALA A 71 16.314 20.357 9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.223 19.240 10.248 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.865 20.375 8.925 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.897 18.623 8.611 1.00 0.00 H new ATOM 1004 N VAL A 72 16.627 17.125 8.667 1.00 0.00 N ATOM 1005 CA VAL A 72 17.410 15.906 9.048 1.00 0.00 C ATOM 1006 C VAL A 72 18.959 16.110 8.903 1.00 0.00 C ATOM 1007 O VAL A 72 19.674 15.929 9.893 1.00 0.00 O ATOM 1008 CB VAL A 72 16.834 14.646 8.305 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.680 13.359 8.469 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.396 14.295 8.757 1.00 0.00 C ATOM 0 H VAL A 72 16.083 17.009 7.812 1.00 0.00 H new ATOM 0 HA VAL A 72 17.282 15.721 10.115 1.00 0.00 H new ATOM 0 HB VAL A 72 16.854 14.954 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.208 12.542 7.924 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.681 13.529 8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.747 13.100 9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.047 13.418 8.212 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.392 14.084 9.826 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.734 15.136 8.551 1.00 0.00 H new ATOM 1020 N VAL A 73 19.481 16.473 7.713 1.00 0.00 N ATOM 1021 CA VAL A 73 20.906 16.897 7.567 1.00 0.00 C ATOM 1022 C VAL A 73 20.907 18.458 7.460 1.00 0.00 C ATOM 1023 O VAL A 73 20.624 19.022 6.396 1.00 0.00 O ATOM 1024 CB VAL A 73 21.639 16.191 6.376 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.120 16.633 6.255 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.634 14.646 6.452 1.00 0.00 C ATOM 0 H VAL A 73 18.950 16.484 6.842 1.00 0.00 H new ATOM 0 HA VAL A 73 21.484 16.584 8.437 1.00 0.00 H new ATOM 0 HB VAL A 73 21.063 16.504 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.586 16.117 5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.166 17.709 6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.650 16.384 7.174 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.162 14.238 5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.131 14.325 7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.605 14.285 6.452 1.00 0.00 H new ATOM 1036 N LYS A 74 21.264 19.150 8.558 1.00 0.00 N ATOM 1037 CA LYS A 74 21.316 20.639 8.592 1.00 0.00 C ATOM 1038 C LYS A 74 22.539 21.188 7.781 1.00 0.00 C ATOM 1039 O LYS A 74 23.688 21.112 8.225 1.00 0.00 O ATOM 1040 CB LYS A 74 21.290 21.077 10.081 1.00 0.00 C ATOM 1041 CG LYS A 74 21.063 22.591 10.294 1.00 0.00 C ATOM 1042 CD LYS A 74 21.021 22.977 11.788 1.00 0.00 C ATOM 1043 CE LYS A 74 20.821 24.480 12.056 1.00 0.00 C ATOM 1044 NZ LYS A 74 19.433 24.909 11.786 1.00 0.00 N ATOM 0 H LYS A 74 21.523 18.708 9.440 1.00 0.00 H new ATOM 0 HA LYS A 74 20.450 21.075 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.502 20.527 10.596 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.233 20.794 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.860 23.148 9.800 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.127 22.885 9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.214 22.425 12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 74 21.951 22.658 12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.074 24.700 13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.506 25.054 11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.341 25.927 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.200 24.723 10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.781 24.380 12.399 1.00 0.00 H new ATOM 1057 N GLY A 75 22.270 21.690 6.564 1.00 0.00 N ATOM 1058 CA GLY A 75 23.330 21.955 5.548 1.00 0.00 C ATOM 1059 C GLY A 75 23.560 20.899 4.433 1.00 0.00 C ATOM 1060 O GLY A 75 24.651 20.853 3.851 1.00 0.00 O ATOM 0 H GLY A 75 21.329 21.924 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.098 22.904 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.273 22.090 6.078 1.00 0.00 H new ATOM 1064 N THR A 76 22.547 20.096 4.061 1.00 0.00 N ATOM 1065 CA THR A 76 22.536 19.378 2.757 1.00 0.00 C ATOM 1066 C THR A 76 22.292 20.361 1.573 1.00 0.00 C ATOM 1067 O THR A 76 21.347 21.155 1.580 1.00 0.00 O ATOM 1068 CB THR A 76 21.548 18.175 2.751 1.00 0.00 C ATOM 1069 OG1 THR A 76 21.703 17.424 1.553 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.048 18.486 2.868 1.00 0.00 C ATOM 0 H THR A 76 21.724 19.923 4.638 1.00 0.00 H new ATOM 0 HA THR A 76 23.527 18.947 2.615 1.00 0.00 H new ATOM 0 HB THR A 76 21.826 17.642 3.660 1.00 0.00 H new ATOM 0 HG1 THR A 76 22.654 17.246 1.399 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.481 17.555 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 76 19.857 19.010 3.805 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.740 19.114 2.032 1.00 0.00 H new ATOM 1078 N LYS A 77 23.116 20.248 0.523 1.00 0.00 N ATOM 1079 CA LYS A 77 22.825 20.910 -0.788 1.00 0.00 C ATOM 1080 C LYS A 77 21.724 20.244 -1.697 1.00 0.00 C ATOM 1081 O LYS A 77 21.533 20.672 -2.839 1.00 0.00 O ATOM 1082 CB LYS A 77 24.175 21.219 -1.492 1.00 0.00 C ATOM 1083 CG LYS A 77 25.046 20.029 -1.965 1.00 0.00 C ATOM 1084 CD LYS A 77 26.462 20.481 -2.380 1.00 0.00 C ATOM 1085 CE LYS A 77 27.411 19.329 -2.747 1.00 0.00 C ATOM 1086 NZ LYS A 77 27.228 18.878 -4.139 1.00 0.00 N ATOM 0 H LYS A 77 23.985 19.714 0.539 1.00 0.00 H new ATOM 0 HA LYS A 77 22.312 21.847 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.962 21.841 -2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.776 21.820 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.120 19.293 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.561 19.536 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 77 26.380 21.155 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.902 21.053 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 77 28.443 19.651 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 77 27.242 18.491 -2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 27.911 18.124 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 26.261 18.514 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 27.382 19.678 -4.786 1.00 0.00 H new ATOM 1099 N MET A 78 20.943 19.267 -1.183 1.00 0.00 N ATOM 1100 CA MET A 78 19.714 18.763 -1.840 1.00 0.00 C ATOM 1101 C MET A 78 18.545 19.796 -1.726 1.00 0.00 C ATOM 1102 O MET A 78 17.833 19.853 -0.717 1.00 0.00 O ATOM 1103 CB MET A 78 19.395 17.366 -1.230 1.00 0.00 C ATOM 1104 CG MET A 78 18.085 16.731 -1.744 1.00 0.00 C ATOM 1105 SD MET A 78 18.171 14.909 -1.958 1.00 0.00 S ATOM 1106 CE MET A 78 16.527 14.571 -1.217 1.00 0.00 C ATOM 0 H MET A 78 21.148 18.804 -0.298 1.00 0.00 H new ATOM 0 HA MET A 78 19.859 18.641 -2.913 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.222 16.690 -1.448 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.338 17.461 -0.146 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.281 16.967 -1.047 1.00 0.00 H new ATOM 0 HG3 MET A 78 17.823 17.187 -2.699 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.366 13.494 -1.164 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.487 14.994 -0.213 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.750 15.024 -1.833 1.00 0.00 H new ATOM 1116 N ALA A 79 18.324 20.576 -2.801 1.00 0.00 N ATOM 1117 CA ALA A 79 17.171 21.511 -2.891 1.00 0.00 C ATOM 1118 C ALA A 79 15.828 20.793 -3.270 1.00 0.00 C ATOM 1119 O ALA A 79 15.300 20.914 -4.379 1.00 0.00 O ATOM 1120 CB ALA A 79 17.597 22.632 -3.859 1.00 0.00 C ATOM 0 H ALA A 79 18.926 20.582 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 79 16.935 21.942 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.784 23.351 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.480 23.137 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.829 22.203 -4.834 1.00 0.00 H new ATOM 1126 N PHE A 80 15.284 20.048 -2.296 1.00 0.00 N ATOM 1127 CA PHE A 80 13.989 19.331 -2.410 1.00 0.00 C ATOM 1128 C PHE A 80 13.100 19.706 -1.181 1.00 0.00 C ATOM 1129 O PHE A 80 13.560 19.703 -0.035 1.00 0.00 O ATOM 1130 CB PHE A 80 14.289 17.806 -2.517 1.00 0.00 C ATOM 1131 CG PHE A 80 13.057 16.910 -2.738 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.412 16.887 -3.980 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.525 16.170 -1.676 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.234 16.163 -4.146 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.350 15.443 -1.845 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.696 15.452 -3.076 1.00 0.00 C ATOM 0 H PHE A 80 15.733 19.920 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 80 13.432 19.618 -3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.987 17.646 -3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.792 17.486 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.830 17.433 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.029 16.163 -0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.737 16.153 -5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 80 10.945 14.872 -1.022 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.772 14.907 -3.200 1.00 0.00 H new ATOM 1146 N ALA A 81 11.808 19.998 -1.413 1.00 0.00 N ATOM 1147 CA ALA A 81 10.862 20.352 -0.320 1.00 0.00 C ATOM 1148 C ALA A 81 10.483 19.182 0.650 1.00 0.00 C ATOM 1149 O ALA A 81 10.704 19.307 1.858 1.00 0.00 O ATOM 1150 CB ALA A 81 9.645 21.030 -0.982 1.00 0.00 C ATOM 0 H ALA A 81 11.388 19.998 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 81 11.360 21.038 0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.922 21.308 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.971 21.924 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.181 20.338 -1.685 1.00 0.00 H new ATOM 1156 N GLY A 82 9.920 18.071 0.141 1.00 0.00 N ATOM 1157 CA GLY A 82 9.466 16.946 0.999 1.00 0.00 C ATOM 1158 C GLY A 82 8.292 16.124 0.427 1.00 0.00 C ATOM 1159 O GLY A 82 7.408 16.643 -0.260 1.00 0.00 O ATOM 0 H GLY A 82 9.766 17.922 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.309 16.277 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.172 17.345 1.970 1.00 0.00 H new ATOM 1163 N LEU A 83 8.257 14.832 0.778 1.00 0.00 N ATOM 1164 CA LEU A 83 7.114 13.929 0.476 1.00 0.00 C ATOM 1165 C LEU A 83 6.242 13.738 1.770 1.00 0.00 C ATOM 1166 O LEU A 83 6.622 12.906 2.604 1.00 0.00 O ATOM 1167 CB LEU A 83 7.652 12.567 -0.057 1.00 0.00 C ATOM 1168 CG LEU A 83 8.335 12.542 -1.447 1.00 0.00 C ATOM 1169 CD1 LEU A 83 8.939 11.155 -1.716 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.375 12.902 -2.593 1.00 0.00 C ATOM 0 H LEU A 83 9.017 14.373 1.281 1.00 0.00 H new ATOM 0 HA LEU A 83 6.483 14.368 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.366 12.183 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.817 11.867 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 83 9.117 13.301 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.416 11.150 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.680 10.926 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.150 10.404 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.911 12.867 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.551 12.188 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.981 13.906 -2.436 1.00 0.00 H new ATOM 1182 N PRO A 84 5.084 14.434 1.999 1.00 0.00 N ATOM 1183 CA PRO A 84 4.271 14.262 3.244 1.00 0.00 C ATOM 1184 C PRO A 84 3.534 12.895 3.447 1.00 0.00 C ATOM 1185 O PRO A 84 3.471 12.405 4.579 1.00 0.00 O ATOM 1186 CB PRO A 84 3.332 15.484 3.194 1.00 0.00 C ATOM 1187 CG PRO A 84 3.206 15.840 1.711 1.00 0.00 C ATOM 1188 CD PRO A 84 4.581 15.517 1.126 1.00 0.00 C ATOM 0 HA PRO A 84 4.913 14.221 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.359 15.250 3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.741 16.318 3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.421 15.258 1.228 1.00 0.00 H new ATOM 0 HG3 PRO A 84 2.953 16.891 1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.509 15.194 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.239 16.386 1.145 1.00 0.00 H new ATOM 1196 N LYS A 85 3.033 12.257 2.375 1.00 0.00 N ATOM 1197 CA LYS A 85 2.436 10.896 2.434 1.00 0.00 C ATOM 1198 C LYS A 85 3.494 9.760 2.639 1.00 0.00 C ATOM 1199 O LYS A 85 4.436 9.609 1.853 1.00 0.00 O ATOM 1200 CB LYS A 85 1.638 10.650 1.122 1.00 0.00 C ATOM 1201 CG LYS A 85 0.200 11.210 1.107 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.549 10.847 -0.195 1.00 0.00 C ATOM 1203 CE LYS A 85 -2.063 11.125 -0.164 1.00 0.00 C ATOM 1204 NZ LYS A 85 -2.779 10.163 0.704 1.00 0.00 N ATOM 0 H LYS A 85 3.027 12.664 1.440 1.00 0.00 H new ATOM 0 HA LYS A 85 1.783 10.860 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.190 11.092 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.594 9.576 0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.350 10.819 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.232 12.294 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.107 11.406 -1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.392 9.789 -0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.239 12.139 0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.464 11.070 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.802 10.236 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.460 9.197 0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.579 10.380 1.701 1.00 0.00 H new ATOM 1217 N ILE A 86 3.275 8.903 3.656 1.00 0.00 N ATOM 1218 CA ILE A 86 4.024 7.619 3.827 1.00 0.00 C ATOM 1219 C ILE A 86 3.924 6.610 2.628 1.00 0.00 C ATOM 1220 O ILE A 86 4.947 6.026 2.267 1.00 0.00 O ATOM 1221 CB ILE A 86 3.704 6.997 5.235 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.604 5.788 5.614 1.00 0.00 C ATOM 1223 CG2 ILE A 86 2.223 6.564 5.419 1.00 0.00 C ATOM 1224 CD1 ILE A 86 6.104 6.082 5.786 1.00 0.00 C ATOM 0 H ILE A 86 2.580 9.070 4.384 1.00 0.00 H new ATOM 0 HA ILE A 86 5.085 7.868 3.803 1.00 0.00 H new ATOM 0 HB ILE A 86 3.918 7.829 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.230 5.362 6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.491 5.023 4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.087 6.146 6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.573 7.430 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.968 5.812 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.627 5.163 6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.507 6.474 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.242 6.818 6.578 1.00 0.00 H new ATOM 1236 N GLU A 87 2.749 6.441 1.984 1.00 0.00 N ATOM 1237 CA GLU A 87 2.617 5.679 0.706 1.00 0.00 C ATOM 1238 C GLU A 87 3.558 6.129 -0.464 1.00 0.00 C ATOM 1239 O GLU A 87 4.225 5.277 -1.043 1.00 0.00 O ATOM 1240 CB GLU A 87 1.119 5.560 0.303 1.00 0.00 C ATOM 1241 CG GLU A 87 0.390 6.866 -0.122 1.00 0.00 C ATOM 1242 CD GLU A 87 -1.098 6.722 -0.428 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.325 5.971 -1.545 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.978 7.250 0.246 1.00 0.00 O ATOM 0 H GLU A 87 1.867 6.823 2.325 1.00 0.00 H new ATOM 0 HA GLU A 87 2.997 4.679 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.046 4.850 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.576 5.129 1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.509 7.602 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.887 7.267 -1.005 1.00 0.00 H new ATOM 1251 N ASP A 88 3.690 7.436 -0.766 1.00 0.00 N ATOM 1252 CA ASP A 88 4.728 7.960 -1.714 1.00 0.00 C ATOM 1253 C ASP A 88 6.211 7.637 -1.324 1.00 0.00 C ATOM 1254 O ASP A 88 6.983 7.213 -2.187 1.00 0.00 O ATOM 1255 CB ASP A 88 4.537 9.491 -1.913 1.00 0.00 C ATOM 1256 CG ASP A 88 3.244 9.911 -2.623 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.130 9.768 -2.126 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.474 10.461 -3.853 1.00 0.00 O ATOM 0 H ASP A 88 3.093 8.162 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 88 4.564 7.427 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.567 9.973 -0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.384 9.874 -2.483 1.00 0.00 H new ATOM 1263 N ARG A 89 6.591 7.801 -0.042 1.00 0.00 N ATOM 1264 CA ARG A 89 7.918 7.363 0.484 1.00 0.00 C ATOM 1265 C ARG A 89 8.155 5.812 0.431 1.00 0.00 C ATOM 1266 O ARG A 89 9.165 5.380 -0.128 1.00 0.00 O ATOM 1267 CB ARG A 89 8.144 7.946 1.911 1.00 0.00 C ATOM 1268 CG ARG A 89 8.014 9.488 2.046 1.00 0.00 C ATOM 1269 CD ARG A 89 8.532 10.111 3.356 1.00 0.00 C ATOM 1270 NE ARG A 89 7.874 9.601 4.597 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.798 10.127 5.180 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.071 11.072 4.652 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.462 9.682 6.352 1.00 0.00 N ATOM 0 H ARG A 89 5.997 8.238 0.663 1.00 0.00 H new ATOM 0 HA ARG A 89 8.672 7.770 -0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.429 7.480 2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.139 7.654 2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.548 9.949 1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.962 9.752 1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.604 9.929 3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.395 11.191 3.307 1.00 0.00 H new ATOM 0 HE ARG A 89 8.285 8.777 5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.315 11.453 3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.258 11.430 5.153 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.016 8.951 6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.644 10.063 6.827 1.00 0.00 H new ATOM 1287 N ALA A 90 7.228 4.982 0.952 1.00 0.00 N ATOM 1288 CA ALA A 90 7.247 3.504 0.772 1.00 0.00 C ATOM 1289 C ALA A 90 7.195 2.960 -0.694 1.00 0.00 C ATOM 1290 O ALA A 90 7.976 2.063 -1.020 1.00 0.00 O ATOM 1291 CB ALA A 90 6.089 2.953 1.620 1.00 0.00 C ATOM 0 H ALA A 90 6.441 5.312 1.511 1.00 0.00 H new ATOM 0 HA ALA A 90 8.227 3.153 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.054 1.868 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.243 3.222 2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.148 3.378 1.271 1.00 0.00 H new ATOM 1297 N ASN A 91 6.337 3.504 -1.585 1.00 0.00 N ATOM 1298 CA ASN A 91 6.389 3.232 -3.053 1.00 0.00 C ATOM 1299 C ASN A 91 7.788 3.515 -3.706 1.00 0.00 C ATOM 1300 O ASN A 91 8.374 2.629 -4.333 1.00 0.00 O ATOM 1301 CB ASN A 91 5.275 4.045 -3.783 1.00 0.00 C ATOM 1302 CG ASN A 91 3.807 3.651 -3.588 1.00 0.00 C ATOM 1303 OD1 ASN A 91 3.443 2.552 -3.193 1.00 0.00 O ATOM 1304 ND2 ASN A 91 2.890 4.528 -3.917 1.00 0.00 N ATOM 0 H ASN A 91 5.589 4.143 -1.316 1.00 0.00 H new ATOM 0 HA ASN A 91 6.216 2.162 -3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.377 5.087 -3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.486 4.003 -4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.902 4.286 -3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.164 5.452 -4.250 1.00 0.00 H new ATOM 1311 N LEU A 92 8.328 4.736 -3.523 1.00 0.00 N ATOM 1312 CA LEU A 92 9.725 5.095 -3.895 1.00 0.00 C ATOM 1313 C LEU A 92 10.856 4.198 -3.289 1.00 0.00 C ATOM 1314 O LEU A 92 11.726 3.751 -4.038 1.00 0.00 O ATOM 1315 CB LEU A 92 9.863 6.601 -3.544 1.00 0.00 C ATOM 1316 CG LEU A 92 11.221 7.284 -3.830 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.612 7.247 -5.313 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.164 8.741 -3.365 1.00 0.00 C ATOM 0 H LEU A 92 7.809 5.511 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 92 9.881 4.903 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.092 7.145 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.645 6.719 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 92 11.979 6.726 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.574 7.742 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.687 6.211 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.853 7.762 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.120 9.225 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.373 9.264 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.958 8.774 -2.295 1.00 0.00 H new ATOM 1330 N ILE A 93 10.843 3.905 -1.975 1.00 0.00 N ATOM 1331 CA ILE A 93 11.795 2.937 -1.340 1.00 0.00 C ATOM 1332 C ILE A 93 11.639 1.468 -1.886 1.00 0.00 C ATOM 1333 O ILE A 93 12.669 0.857 -2.170 1.00 0.00 O ATOM 1334 CB ILE A 93 11.783 3.099 0.224 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.261 4.513 0.691 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.639 2.032 0.958 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.833 4.910 2.114 1.00 0.00 C ATOM 0 H ILE A 93 10.184 4.321 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 93 12.810 3.189 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 93 10.736 2.961 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.349 4.549 0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.879 5.257 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.587 2.201 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.256 1.038 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.675 2.107 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.213 5.906 2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.745 4.913 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.238 4.194 2.829 1.00 0.00 H new ATOM 1349 N ALA A 94 10.424 0.920 -2.117 1.00 0.00 N ATOM 1350 CA ALA A 94 10.238 -0.306 -2.952 1.00 0.00 C ATOM 1351 C ALA A 94 10.855 -0.273 -4.395 1.00 0.00 C ATOM 1352 O ALA A 94 11.514 -1.238 -4.794 1.00 0.00 O ATOM 1353 CB ALA A 94 8.733 -0.633 -2.990 1.00 0.00 C ATOM 0 H ALA A 94 9.555 1.301 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 94 10.814 -1.095 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.570 -1.525 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.373 -0.810 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.189 0.205 -3.426 1.00 0.00 H new ATOM 1359 N TYR A 95 10.698 0.832 -5.153 1.00 0.00 N ATOM 1360 CA TYR A 95 11.470 1.071 -6.407 1.00 0.00 C ATOM 1361 C TYR A 95 13.027 1.148 -6.239 1.00 0.00 C ATOM 1362 O TYR A 95 13.734 0.477 -6.991 1.00 0.00 O ATOM 1363 CB TYR A 95 10.852 2.304 -7.120 1.00 0.00 C ATOM 1364 CG TYR A 95 11.432 2.636 -8.505 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.283 1.743 -9.573 1.00 0.00 C ATOM 1366 CD2 TYR A 95 12.111 3.842 -8.708 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.812 2.051 -10.824 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.617 4.156 -9.966 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.468 3.263 -11.022 1.00 0.00 C ATOM 1370 OH TYR A 95 12.898 3.613 -12.274 1.00 0.00 O ATOM 0 H TYR A 95 10.043 1.580 -4.924 1.00 0.00 H new ATOM 0 HA TYR A 95 11.370 0.188 -7.038 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.780 2.139 -7.226 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.979 3.174 -6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.756 0.812 -9.426 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.243 4.531 -7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.713 1.350 -11.640 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.127 5.095 -10.123 1.00 0.00 H new ATOM 0 HH TYR A 95 12.254 3.296 -12.941 1.00 0.00 H new ATOM 1380 N LEU A 96 13.565 1.908 -5.268 1.00 0.00 N ATOM 1381 CA LEU A 96 15.019 1.878 -4.926 1.00 0.00 C ATOM 1382 C LEU A 96 15.569 0.512 -4.371 1.00 0.00 C ATOM 1383 O LEU A 96 16.724 0.193 -4.646 1.00 0.00 O ATOM 1384 CB LEU A 96 15.344 3.057 -3.969 1.00 0.00 C ATOM 1385 CG LEU A 96 15.056 4.505 -4.462 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.149 5.505 -3.296 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.991 4.939 -5.602 1.00 0.00 C ATOM 0 H LEU A 96 13.021 2.556 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 96 15.549 1.991 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.784 2.902 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.402 2.996 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 96 14.040 4.503 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.944 6.511 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.418 5.241 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.151 5.472 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.746 5.956 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.025 4.902 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.867 4.266 -6.451 1.00 0.00 H new ATOM 1399 N GLU A 97 14.769 -0.303 -3.648 1.00 0.00 N ATOM 1400 CA GLU A 97 15.058 -1.752 -3.401 1.00 0.00 C ATOM 1401 C GLU A 97 15.097 -2.657 -4.683 1.00 0.00 C ATOM 1402 O GLU A 97 15.998 -3.489 -4.803 1.00 0.00 O ATOM 1403 CB GLU A 97 14.049 -2.322 -2.364 1.00 0.00 C ATOM 1404 CG GLU A 97 14.217 -1.810 -0.913 1.00 0.00 C ATOM 1405 CD GLU A 97 13.182 -2.353 0.067 1.00 0.00 C ATOM 1406 OE1 GLU A 97 11.977 -1.729 -0.049 1.00 0.00 O ATOM 1407 OE2 GLU A 97 13.409 -3.244 0.879 1.00 0.00 O ATOM 0 H GLU A 97 13.902 0.016 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 97 16.075 -1.782 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.039 -2.085 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.136 -3.408 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.212 -2.078 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.162 -0.721 -0.915 1.00 0.00 H new ATOM 1414 N GLY A 98 14.161 -2.495 -5.641 1.00 0.00 N ATOM 1415 CA GLY A 98 14.320 -3.051 -7.018 1.00 0.00 C ATOM 1416 C GLY A 98 15.524 -2.555 -7.866 1.00 0.00 C ATOM 1417 O GLY A 98 16.170 -3.361 -8.538 1.00 0.00 O ATOM 0 H GLY A 98 13.288 -1.988 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.393 -4.135 -6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.408 -2.835 -7.574 1.00 0.00 H new ATOM 1421 N GLN A 99 15.832 -1.249 -7.833 1.00 0.00 N ATOM 1422 CA GLN A 99 17.056 -0.676 -8.461 1.00 0.00 C ATOM 1423 C GLN A 99 18.321 -0.807 -7.537 1.00 0.00 C ATOM 1424 O GLN A 99 18.819 0.185 -6.990 1.00 0.00 O ATOM 1425 CB GLN A 99 16.747 0.806 -8.846 1.00 0.00 C ATOM 1426 CG GLN A 99 15.605 1.086 -9.862 1.00 0.00 C ATOM 1427 CD GLN A 99 15.889 0.672 -11.308 1.00 0.00 C ATOM 1428 OE1 GLN A 99 16.439 1.424 -12.105 1.00 0.00 O ATOM 1429 NE2 GLN A 99 15.529 -0.528 -11.695 1.00 0.00 N ATOM 0 H GLN A 99 15.246 -0.552 -7.373 1.00 0.00 H new ATOM 0 HA GLN A 99 17.308 -1.242 -9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.513 1.345 -7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.662 1.242 -9.247 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.708 0.568 -9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.382 2.153 -9.846 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.071 -1.160 -11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.707 -0.830 -12.653 1.00 0.00 H new ATOM 1438 N GLN A 100 18.855 -2.035 -7.388 1.00 0.00 N ATOM 1439 CA GLN A 100 20.105 -2.304 -6.624 1.00 0.00 C ATOM 1440 C GLN A 100 21.001 -3.279 -7.422 1.00 0.00 C ATOM 1441 O GLN A 100 22.135 -2.881 -7.779 1.00 0.00 O ATOM 1442 CB GLN A 100 19.850 -2.825 -5.179 1.00 0.00 C ATOM 1443 CG GLN A 100 19.071 -1.865 -4.239 1.00 0.00 C ATOM 1444 CD GLN A 100 19.194 -2.095 -2.729 1.00 0.00 C ATOM 1445 OE1 GLN A 100 18.269 -2.529 -2.050 1.00 0.00 O ATOM 1446 NE2 GLN A 100 20.308 -1.744 -2.131 1.00 0.00 N ATOM 1447 OXT GLN A 100 20.597 -4.437 -7.684 1.00 0.00 O ATOM 0 H GLN A 100 18.437 -2.874 -7.791 1.00 0.00 H new ATOM 0 HA GLN A 100 20.619 -1.351 -6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.300 -3.764 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 100 20.812 -3.050 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 100 19.399 -0.847 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.015 -1.921 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 100 21.088 -1.381 -2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 100 20.394 -1.834 -1.119 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 18.525 14.276 -3.954 1.00 0.00 FE HETATM 1458 CHA HEC A 101 21.315 13.602 -2.065 1.00 0.00 C HETATM 1459 CHB HEC A 101 17.444 11.242 -2.648 1.00 0.00 C HETATM 1460 CHC HEC A 101 15.573 14.983 -5.208 1.00 0.00 C HETATM 1461 CHD HEC A 101 19.728 16.884 -5.327 1.00 0.00 C HETATM 1462 NA HEC A 101 19.109 12.925 -2.584 1.00 0.00 N HETATM 1463 C1A HEC A 101 20.266 12.782 -1.963 1.00 0.00 C HETATM 1464 C2A HEC A 101 20.438 11.677 -1.192 1.00 0.00 C HETATM 1465 C3A HEC A 101 19.298 11.022 -1.322 1.00 0.00 C HETATM 1466 C4A HEC A 101 18.593 11.763 -2.215 1.00 0.00 C HETATM 1467 CMA HEC A 101 18.977 9.692 -0.608 1.00 0.00 C HETATM 1468 CAA HEC A 101 21.679 11.118 -0.447 1.00 0.00 C HETATM 1469 CBA HEC A 101 22.502 10.217 -1.408 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.871 9.711 -0.953 1.00 0.00 C HETATM 1471 O1A HEC A 101 24.495 8.958 -1.740 1.00 0.00 O HETATM 1472 O2A HEC A 101 24.366 10.085 0.134 1.00 0.00 O HETATM 1473 NB HEC A 101 16.940 13.287 -3.970 1.00 0.00 N HETATM 1474 C1B HEC A 101 16.568 11.973 -3.560 1.00 0.00 C HETATM 1475 C2B HEC A 101 15.319 11.545 -3.995 1.00 0.00 C HETATM 1476 C3B HEC A 101 14.727 12.638 -4.592 1.00 0.00 C HETATM 1477 C4B HEC A 101 15.692 13.667 -4.545 1.00 0.00 C HETATM 1478 CMB HEC A 101 14.757 10.121 -3.875 1.00 0.00 C HETATM 1479 CAB HEC A 101 13.338 12.657 -5.266 1.00 0.00 C HETATM 1480 CBB HEC A 101 12.212 12.461 -4.232 1.00 0.00 C HETATM 1481 NC HEC A 101 17.756 15.729 -4.838 1.00 0.00 N HETATM 1482 C1C HEC A 101 16.582 15.851 -5.366 1.00 0.00 C HETATM 1483 C2C HEC A 101 16.437 16.915 -6.190 1.00 0.00 C HETATM 1484 C3C HEC A 101 17.661 17.436 -6.289 1.00 0.00 C HETATM 1485 C4C HEC A 101 18.408 16.666 -5.455 1.00 0.00 C HETATM 1486 CMC HEC A 101 15.205 17.431 -6.953 1.00 0.00 C HETATM 1487 CAC HEC A 101 18.101 18.591 -7.240 1.00 0.00 C HETATM 1488 CBC HEC A 101 17.343 19.917 -7.054 1.00 0.00 C HETATM 1489 ND HEC A 101 20.226 14.937 -3.865 1.00 0.00 N HETATM 1490 C1D HEC A 101 20.663 16.120 -4.483 1.00 0.00 C HETATM 1491 C2D HEC A 101 21.936 16.555 -4.084 1.00 0.00 C HETATM 1492 C3D HEC A 101 22.375 15.651 -3.139 1.00 0.00 C HETATM 1493 C4D HEC A 101 21.341 14.715 -3.014 1.00 0.00 C HETATM 1494 CMD HEC A 101 22.689 17.812 -4.524 1.00 0.00 C HETATM 1495 CAD HEC A 101 23.685 15.725 -2.335 1.00 0.00 C HETATM 1496 CBD HEC A 101 23.481 16.466 -0.995 1.00 0.00 C HETATM 1497 CGD HEC A 101 24.714 16.645 -0.107 1.00 0.00 C HETATM 1498 O1D HEC A 101 25.860 16.523 -0.587 1.00 0.00 O HETATM 1499 O2D HEC A 101 24.532 16.942 1.091 1.00 0.00 O HETATM 0 HMD3 HEC A 101 22.840 17.787 -5.603 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 22.108 18.695 -4.259 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 23.656 17.851 -4.023 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 14.851 16.659 -7.636 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 14.415 17.678 -6.244 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 15.475 18.322 -7.520 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 15.404 9.428 -4.412 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 14.712 9.835 -2.824 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 13.755 10.088 -4.303 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 19.702 8.935 -0.906 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.027 9.837 0.471 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 17.975 9.363 -0.884 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 23.073 17.453 -1.212 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 22.726 15.928 -0.422 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 16.280 19.756 -7.232 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 17.489 20.280 -6.037 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 17.722 20.655 -7.761 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 12.341 11.502 -3.731 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 12.251 13.263 -3.495 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 11.247 12.479 -4.738 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 21.892 9.346 -1.648 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 22.647 10.770 -2.336 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 24.054 14.717 -2.143 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 24.447 16.236 -2.923 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 22.297 11.939 -0.083 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 21.364 10.545 0.425 1.00 0.00 H new HETATM 0 HHD HEC A 101 20.148 17.707 -5.905 1.00 0.00 H new HETATM 0 HHC HEC A 101 14.595 15.268 -5.596 1.00 0.00 H new HETATM 0 HHB HEC A 101 17.152 10.247 -2.313 1.00 0.00 H new HETATM 0 HHA HEC A 101 22.179 13.437 -1.421 1.00 0.00 H new HETATM 0 H2D HEC A 101 25.160 17.647 1.352 1.00 0.00 H new HETATM 0 H2A HEC A 101 25.077 10.737 -0.038 1.00 0.00 H new