USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=15 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 77 LYS NZ :NH3+ 134:sc= 0.741 (180deg=0.0454) USER MOD Set 1.2: A 101 HEC O2D : rot -140:sc= 0 USER MOD Set 2.1: A 50 MET CE :methyl 166:sc=-0.00842 (180deg=-0.0407) USER MOD Set 2.2: A 76 THR OG1 : rot 32:sc= 0.245 USER MOD Set 3.1: A 46 TYR OH : rot -41:sc= 0.345 USER MOD Set 3.2: A 101 HEC O2A : rot 180:sc= 0.318 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.283 (180deg=0.238) 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+ -136:sc= 0.0944 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.535 K(o=0.53,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : A 31 ASN : amide:sc= 0.106 K(o=0.11,f=-4.6!) USER MOD Single : A 37 THR OG1 : rot -13:sc= 0.536 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -86:sc= 1.27 USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= 0.512 (180deg=0.29) USER MOD Single : A 53 HIS : no HD1:sc= 0.0955 K(o=0.095,f=-0.74) USER MOD Single : A 58 THR OG1 : rot 180:sc=0.000553 USER MOD Single : A 63 GLN : amide:sc= 0.708 K(o=0.71,f=-7.7!) USER MOD Single : A 67 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 68 ASN : amide:sc= 0.334 K(o=0.33,f=-3.6!) 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 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= -0.494 K(o=-0.49,f=-1.4) USER MOD Single : A 95 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.976 -1.966 0.459 1.00 0.00 N ATOM 2 CA MET A 1 3.650 -1.237 -0.644 1.00 0.00 C ATOM 3 C MET A 1 2.640 -0.269 -1.345 1.00 0.00 C ATOM 4 O MET A 1 2.223 0.712 -0.724 1.00 0.00 O ATOM 5 CB MET A 1 4.436 -2.254 -1.525 1.00 0.00 C ATOM 6 CG MET A 1 5.562 -3.040 -0.817 1.00 0.00 C ATOM 7 SD MET A 1 6.517 -3.995 -2.017 1.00 0.00 S ATOM 8 CE MET A 1 5.517 -5.490 -2.151 1.00 0.00 C ATOM 0 H1 MET A 1 3.667 -2.568 0.950 1.00 0.00 H new ATOM 0 H2 MET A 1 2.572 -1.283 1.131 1.00 0.00 H new ATOM 0 H3 MET A 1 2.216 -2.559 0.069 1.00 0.00 H new ATOM 0 HA MET A 1 4.424 -0.554 -0.293 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.726 -2.970 -1.939 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.871 -1.714 -2.366 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.218 -2.349 -0.288 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.133 -3.708 -0.070 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.982 -6.176 -2.859 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.446 -5.969 -1.174 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.518 -5.229 -2.501 1.00 0.00 H new ATOM 19 N ALA A 2 2.264 -0.490 -2.620 1.00 0.00 N ATOM 20 CA ALA A 2 1.262 0.346 -3.340 1.00 0.00 C ATOM 21 C ALA A 2 0.792 -0.361 -4.650 1.00 0.00 C ATOM 22 O ALA A 2 1.516 -0.388 -5.651 1.00 0.00 O ATOM 23 CB ALA A 2 1.829 1.753 -3.652 1.00 0.00 C ATOM 0 H ALA A 2 2.641 -1.250 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 2 0.398 0.469 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.076 2.340 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.094 2.253 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.716 1.657 -4.278 1.00 0.00 H new ATOM 29 N ASP A 3 -0.432 -0.920 -4.662 1.00 0.00 N ATOM 30 CA ASP A 3 -1.041 -1.492 -5.896 1.00 0.00 C ATOM 31 C ASP A 3 -2.596 -1.255 -5.892 1.00 0.00 C ATOM 32 O ASP A 3 -3.301 -2.018 -5.221 1.00 0.00 O ATOM 33 CB ASP A 3 -0.637 -2.987 -6.035 1.00 0.00 C ATOM 34 CG ASP A 3 -0.981 -3.588 -7.398 1.00 0.00 C ATOM 35 OD1 ASP A 3 -2.109 -3.967 -7.702 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.096 -3.621 -8.237 1.00 0.00 O ATOM 0 H ASP A 3 -1.026 -0.992 -3.836 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.659 -0.982 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.435 -3.083 -5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.136 -3.564 -5.256 1.00 0.00 H new ATOM 41 N PRO A 4 -3.183 -0.275 -6.646 1.00 0.00 N ATOM 42 CA PRO A 4 -4.663 -0.098 -6.736 1.00 0.00 C ATOM 43 C PRO A 4 -5.546 -1.256 -7.303 1.00 0.00 C ATOM 44 O PRO A 4 -6.668 -1.443 -6.826 1.00 0.00 O ATOM 45 CB PRO A 4 -4.801 1.204 -7.553 1.00 0.00 C ATOM 46 CG PRO A 4 -3.485 1.951 -7.340 1.00 0.00 C ATOM 47 CD PRO A 4 -2.438 0.839 -7.268 1.00 0.00 C ATOM 0 HA PRO A 4 -5.072 -0.079 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.966 0.991 -8.609 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.650 1.796 -7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.280 2.640 -8.159 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.504 2.541 -6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.063 0.572 -8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.576 1.133 -6.669 1.00 0.00 H new ATOM 55 N ALA A 5 -5.054 -2.036 -8.285 1.00 0.00 N ATOM 56 CA ALA A 5 -5.752 -3.256 -8.786 1.00 0.00 C ATOM 57 C ALA A 5 -5.927 -4.408 -7.739 1.00 0.00 C ATOM 58 O ALA A 5 -7.054 -4.859 -7.514 1.00 0.00 O ATOM 59 CB ALA A 5 -5.012 -3.705 -10.061 1.00 0.00 C ATOM 0 H ALA A 5 -4.169 -1.848 -8.756 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.788 -2.997 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.490 -4.598 -10.464 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.049 -2.908 -10.803 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.973 -3.927 -9.819 1.00 0.00 H new ATOM 65 N ALA A 6 -4.850 -4.826 -7.043 1.00 0.00 N ATOM 66 CA ALA A 6 -4.965 -5.623 -5.790 1.00 0.00 C ATOM 67 C ALA A 6 -5.732 -4.943 -4.602 1.00 0.00 C ATOM 68 O ALA A 6 -6.465 -5.629 -3.888 1.00 0.00 O ATOM 69 CB ALA A 6 -3.536 -6.036 -5.397 1.00 0.00 C ATOM 0 H ALA A 6 -3.889 -4.628 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.601 -6.483 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.567 -6.625 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.097 -6.632 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.931 -5.144 -5.235 1.00 0.00 H new ATOM 75 N GLY A 7 -5.632 -3.610 -4.425 1.00 0.00 N ATOM 76 CA GLY A 7 -6.556 -2.829 -3.559 1.00 0.00 C ATOM 77 C GLY A 7 -8.075 -2.921 -3.823 1.00 0.00 C ATOM 78 O GLY A 7 -8.832 -3.063 -2.865 1.00 0.00 O ATOM 0 H GLY A 7 -4.914 -3.041 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.381 -3.135 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.271 -1.780 -3.633 1.00 0.00 H new ATOM 82 N GLU A 8 -8.517 -2.899 -5.092 1.00 0.00 N ATOM 83 CA GLU A 8 -9.896 -3.323 -5.484 1.00 0.00 C ATOM 84 C GLU A 8 -10.305 -4.779 -5.078 1.00 0.00 C ATOM 85 O GLU A 8 -11.447 -4.983 -4.657 1.00 0.00 O ATOM 86 CB GLU A 8 -10.066 -3.081 -7.008 1.00 0.00 C ATOM 87 CG GLU A 8 -11.525 -3.110 -7.543 1.00 0.00 C ATOM 88 CD GLU A 8 -12.018 -4.448 -8.104 1.00 0.00 C ATOM 89 OE1 GLU A 8 -12.448 -5.311 -7.133 1.00 0.00 O ATOM 90 OE2 GLU A 8 -12.035 -4.701 -9.306 1.00 0.00 O ATOM 0 H GLU A 8 -7.944 -2.592 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.587 -2.709 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.629 -2.113 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.489 -3.836 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.192 -2.812 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.617 -2.357 -8.325 1.00 0.00 H new ATOM 97 N LYS A 9 -9.409 -5.771 -5.225 1.00 0.00 N ATOM 98 CA LYS A 9 -9.599 -7.146 -4.672 1.00 0.00 C ATOM 99 C LYS A 9 -9.724 -7.208 -3.108 1.00 0.00 C ATOM 100 O LYS A 9 -10.680 -7.802 -2.603 1.00 0.00 O ATOM 101 CB LYS A 9 -8.479 -8.095 -5.188 1.00 0.00 C ATOM 102 CG LYS A 9 -8.323 -8.205 -6.724 1.00 0.00 C ATOM 103 CD LYS A 9 -7.281 -9.259 -7.142 1.00 0.00 C ATOM 104 CE LYS A 9 -7.083 -9.301 -8.664 1.00 0.00 C ATOM 105 NZ LYS A 9 -6.084 -10.330 -9.013 1.00 0.00 N ATOM 0 H LYS A 9 -8.530 -5.654 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.566 -7.487 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.529 -7.760 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.667 -9.093 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.287 -8.458 -7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.033 -7.234 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.329 -9.039 -6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.598 -10.241 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.030 -9.520 -9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.754 -8.326 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.955 -10.353 -10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.178 -10.103 -8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.414 -11.260 -8.685 1.00 0.00 H new ATOM 118 N VAL A 10 -8.822 -6.550 -2.344 1.00 0.00 N ATOM 119 CA VAL A 10 -8.986 -6.333 -0.865 1.00 0.00 C ATOM 120 C VAL A 10 -10.294 -5.536 -0.483 1.00 0.00 C ATOM 121 O VAL A 10 -10.997 -5.937 0.451 1.00 0.00 O ATOM 122 CB VAL A 10 -7.686 -5.713 -0.232 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.739 -5.611 1.313 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.374 -6.479 -0.539 1.00 0.00 C ATOM 0 H VAL A 10 -7.961 -6.152 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.126 -7.319 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.669 -4.731 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.810 -5.175 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.578 -4.980 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.866 -6.606 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.536 -5.973 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.450 -7.497 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.212 -6.506 -1.617 1.00 0.00 H new ATOM 134 N PHE A 11 -10.661 -4.464 -1.221 1.00 0.00 N ATOM 135 CA PHE A 11 -12.002 -3.811 -1.122 1.00 0.00 C ATOM 136 C PHE A 11 -13.265 -4.709 -1.410 1.00 0.00 C ATOM 137 O PHE A 11 -14.361 -4.335 -0.990 1.00 0.00 O ATOM 138 CB PHE A 11 -11.965 -2.516 -1.989 1.00 0.00 C ATOM 139 CG PHE A 11 -12.984 -1.430 -1.594 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.287 -1.463 -2.101 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.622 -0.410 -0.707 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.231 -0.528 -1.683 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.561 0.540 -0.311 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.869 0.472 -0.787 1.00 0.00 C ATOM 0 H PHE A 11 -10.044 -4.022 -1.902 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.158 -3.581 -0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.964 -2.089 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.136 -2.790 -3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.563 -2.219 -2.822 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.612 -0.359 -0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.244 -0.580 -2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.275 1.331 0.366 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.601 1.196 -0.460 1.00 0.00 H new ATOM 154 N GLY A 12 -13.136 -5.915 -2.006 1.00 0.00 N ATOM 155 CA GLY A 12 -14.135 -7.016 -1.862 1.00 0.00 C ATOM 156 C GLY A 12 -14.750 -7.302 -0.461 1.00 0.00 C ATOM 157 O GLY A 12 -15.962 -7.496 -0.354 1.00 0.00 O ATOM 0 H GLY A 12 -12.343 -6.159 -2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.958 -6.804 -2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.663 -7.936 -2.207 1.00 0.00 H new ATOM 161 N LYS A 13 -13.931 -7.261 0.604 1.00 0.00 N ATOM 162 CA LYS A 13 -14.428 -7.197 2.015 1.00 0.00 C ATOM 163 C LYS A 13 -15.247 -5.921 2.423 1.00 0.00 C ATOM 164 O LYS A 13 -16.193 -6.018 3.207 1.00 0.00 O ATOM 165 CB LYS A 13 -13.223 -7.391 2.981 1.00 0.00 C ATOM 166 CG LYS A 13 -12.552 -8.785 2.962 1.00 0.00 C ATOM 167 CD LYS A 13 -11.369 -8.878 3.945 1.00 0.00 C ATOM 168 CE LYS A 13 -10.707 -10.264 3.928 1.00 0.00 C ATOM 169 NZ LYS A 13 -9.591 -10.307 4.892 1.00 0.00 N ATOM 0 H LYS A 13 -12.914 -7.271 0.527 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.158 -8.003 2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.467 -6.643 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.562 -7.187 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.291 -9.545 3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.201 -9.003 1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.628 -8.120 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.719 -8.657 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.442 -11.029 4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.341 -10.488 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.151 -11.249 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.884 -9.589 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.951 -10.113 5.848 1.00 0.00 H new ATOM 182 N CYS A 14 -14.868 -4.742 1.914 1.00 0.00 N ATOM 183 CA CYS A 14 -15.554 -3.453 2.200 1.00 0.00 C ATOM 184 C CYS A 14 -16.879 -3.194 1.403 1.00 0.00 C ATOM 185 O CYS A 14 -17.853 -2.724 1.998 1.00 0.00 O ATOM 186 CB CYS A 14 -14.538 -2.306 1.981 1.00 0.00 C ATOM 187 SG CYS A 14 -12.823 -2.696 2.438 1.00 0.00 S ATOM 0 H CYS A 14 -14.071 -4.644 1.285 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.889 -3.502 3.236 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.561 -2.017 0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.863 -1.439 2.557 1.00 0.00 H new ATOM 192 N LYS A 15 -16.927 -3.486 0.083 1.00 0.00 N ATOM 193 CA LYS A 15 -18.118 -3.231 -0.790 1.00 0.00 C ATOM 194 C LYS A 15 -19.498 -3.872 -0.425 1.00 0.00 C ATOM 195 O LYS A 15 -20.532 -3.313 -0.799 1.00 0.00 O ATOM 196 CB LYS A 15 -17.742 -3.459 -2.280 1.00 0.00 C ATOM 197 CG LYS A 15 -17.386 -4.903 -2.717 1.00 0.00 C ATOM 198 CD LYS A 15 -17.021 -5.056 -4.210 1.00 0.00 C ATOM 199 CE LYS A 15 -15.727 -4.334 -4.632 1.00 0.00 C ATOM 200 NZ LYS A 15 -15.399 -4.628 -6.038 1.00 0.00 N ATOM 0 H LYS A 15 -16.144 -3.906 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.341 -2.184 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.576 -3.118 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.892 -2.818 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.548 -5.254 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.232 -5.554 -2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.921 -6.117 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.846 -4.677 -4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.845 -3.259 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.904 -4.647 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.382 -4.830 -6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.944 -5.455 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.639 -3.807 -6.629 1.00 0.00 H new ATOM 213 N ALA A 16 -19.536 -4.980 0.337 1.00 0.00 N ATOM 214 CA ALA A 16 -20.773 -5.433 1.035 1.00 0.00 C ATOM 215 C ALA A 16 -21.448 -4.418 2.029 1.00 0.00 C ATOM 216 O ALA A 16 -22.678 -4.392 2.117 1.00 0.00 O ATOM 217 CB ALA A 16 -20.411 -6.761 1.728 1.00 0.00 C ATOM 0 H ALA A 16 -18.729 -5.584 0.491 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.553 -5.540 0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.283 -7.144 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.094 -7.487 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.600 -6.592 2.436 1.00 0.00 H new ATOM 223 N CYS A 17 -20.665 -3.592 2.751 1.00 0.00 N ATOM 224 CA CYS A 17 -21.194 -2.486 3.595 1.00 0.00 C ATOM 225 C CYS A 17 -21.039 -1.031 3.013 1.00 0.00 C ATOM 226 O CYS A 17 -21.922 -0.199 3.243 1.00 0.00 O ATOM 227 CB CYS A 17 -20.504 -2.601 4.970 1.00 0.00 C ATOM 228 SG CYS A 17 -20.638 -4.267 5.695 1.00 0.00 S ATOM 0 H CYS A 17 -19.648 -3.667 2.770 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.275 -2.614 3.649 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.451 -2.340 4.865 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.946 -1.876 5.654 1.00 0.00 H new ATOM 233 N HIS A 18 -19.918 -0.704 2.336 1.00 0.00 N ATOM 234 CA HIS A 18 -19.524 0.682 1.967 1.00 0.00 C ATOM 235 C HIS A 18 -19.546 0.894 0.422 1.00 0.00 C ATOM 236 O HIS A 18 -18.940 0.140 -0.346 1.00 0.00 O ATOM 237 CB HIS A 18 -18.076 0.925 2.466 1.00 0.00 C ATOM 238 CG HIS A 18 -17.923 1.172 3.960 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.908 2.431 4.499 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.487 0.243 4.905 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.364 2.183 5.716 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.156 0.867 6.115 1.00 0.00 N ATOM 0 H HIS A 18 -19.246 -1.405 2.023 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.233 1.374 2.422 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.469 0.061 2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.667 1.782 1.931 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.221 3.314 4.095 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.414 -0.820 4.727 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.095 3.000 6.369 1.00 0.00 H new ATOM 250 N LYS A 19 -20.189 1.979 -0.022 1.00 0.00 N ATOM 251 CA LYS A 19 -20.401 2.257 -1.472 1.00 0.00 C ATOM 252 C LYS A 19 -19.469 3.392 -2.008 1.00 0.00 C ATOM 253 O LYS A 19 -19.473 4.522 -1.509 1.00 0.00 O ATOM 254 CB LYS A 19 -21.895 2.609 -1.712 1.00 0.00 C ATOM 255 CG LYS A 19 -22.933 1.481 -1.487 1.00 0.00 C ATOM 256 CD LYS A 19 -22.966 0.433 -2.617 1.00 0.00 C ATOM 257 CE LYS A 19 -23.932 -0.721 -2.311 1.00 0.00 C ATOM 258 NZ LYS A 19 -23.943 -1.678 -3.435 1.00 0.00 N ATOM 0 H LYS A 19 -20.579 2.691 0.595 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.139 1.358 -2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.155 3.442 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.998 2.963 -2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.712 0.979 -0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.923 1.926 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.262 0.915 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.963 0.034 -2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.629 -1.227 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -24.936 -0.332 -2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -24.599 -2.457 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -24.252 -1.193 -4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.986 -2.060 -3.575 1.00 0.00 H new ATOM 271 N LEU A 20 -18.721 3.097 -3.086 1.00 0.00 N ATOM 272 CA LEU A 20 -17.860 4.102 -3.790 1.00 0.00 C ATOM 273 C LEU A 20 -18.569 5.076 -4.794 1.00 0.00 C ATOM 274 O LEU A 20 -17.944 6.050 -5.215 1.00 0.00 O ATOM 275 CB LEU A 20 -16.714 3.342 -4.520 1.00 0.00 C ATOM 276 CG LEU A 20 -15.675 2.613 -3.631 1.00 0.00 C ATOM 277 CD1 LEU A 20 -14.812 1.682 -4.493 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.767 3.585 -2.857 1.00 0.00 C ATOM 0 H LEU A 20 -18.686 2.166 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.502 4.764 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.166 2.606 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.181 4.056 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.236 2.037 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.084 1.173 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.449 0.944 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.290 2.267 -5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.060 3.018 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.221 4.212 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.377 4.214 -2.209 1.00 0.00 H new ATOM 290 N ASP A 21 -19.839 4.860 -5.195 1.00 0.00 N ATOM 291 CA ASP A 21 -20.625 5.881 -5.961 1.00 0.00 C ATOM 292 C ASP A 21 -21.513 6.773 -5.023 1.00 0.00 C ATOM 293 O ASP A 21 -22.735 6.844 -5.181 1.00 0.00 O ATOM 294 CB ASP A 21 -21.421 5.140 -7.077 1.00 0.00 C ATOM 295 CG ASP A 21 -20.635 4.614 -8.284 1.00 0.00 C ATOM 296 OD1 ASP A 21 -19.454 4.031 -7.927 1.00 0.00 O ATOM 297 OD2 ASP A 21 -21.044 4.698 -9.438 1.00 0.00 O ATOM 0 H ASP A 21 -20.350 3.997 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.954 6.596 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.935 4.296 -6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.190 5.818 -7.447 1.00 0.00 H new ATOM 302 N GLY A 22 -20.891 7.471 -4.051 1.00 0.00 N ATOM 303 CA GLY A 22 -21.580 8.443 -3.151 1.00 0.00 C ATOM 304 C GLY A 22 -22.834 8.026 -2.331 1.00 0.00 C ATOM 305 O GLY A 22 -23.705 8.867 -2.112 1.00 0.00 O ATOM 0 H GLY A 22 -19.893 7.382 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.837 8.800 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.869 9.296 -3.764 1.00 0.00 H new ATOM 309 N ASN A 23 -22.924 6.763 -1.878 1.00 0.00 N ATOM 310 CA ASN A 23 -24.124 6.226 -1.169 1.00 0.00 C ATOM 311 C ASN A 23 -23.784 5.782 0.293 1.00 0.00 C ATOM 312 O ASN A 23 -22.745 5.173 0.568 1.00 0.00 O ATOM 313 CB ASN A 23 -24.729 5.060 -2.006 1.00 0.00 C ATOM 314 CG ASN A 23 -25.741 5.483 -3.075 1.00 0.00 C ATOM 315 OD1 ASN A 23 -26.945 5.477 -2.850 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.323 5.852 -4.260 1.00 0.00 N ATOM 0 H ASN A 23 -22.175 6.079 -1.987 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.868 7.017 -1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -23.915 4.522 -2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.214 4.359 -1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.996 6.127 -4.975 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.324 5.864 -4.468 1.00 0.00 H new ATOM 323 N ASP A 24 -24.695 6.086 1.232 1.00 0.00 N ATOM 324 CA ASP A 24 -24.491 5.843 2.689 1.00 0.00 C ATOM 325 C ASP A 24 -25.596 4.865 3.193 1.00 0.00 C ATOM 326 O ASP A 24 -26.780 5.221 3.203 1.00 0.00 O ATOM 327 CB ASP A 24 -24.533 7.209 3.432 1.00 0.00 C ATOM 328 CG ASP A 24 -23.364 8.142 3.114 1.00 0.00 C ATOM 329 OD1 ASP A 24 -22.291 8.119 3.707 1.00 0.00 O ATOM 330 OD2 ASP A 24 -23.630 8.967 2.063 1.00 0.00 O ATOM 0 H ASP A 24 -25.598 6.508 1.013 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.522 5.383 2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.464 7.716 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -24.551 7.023 4.506 1.00 0.00 H new ATOM 335 N GLY A 25 -25.222 3.632 3.581 1.00 0.00 N ATOM 336 CA GLY A 25 -26.212 2.573 3.931 1.00 0.00 C ATOM 337 C GLY A 25 -25.877 1.829 5.230 1.00 0.00 C ATOM 338 O GLY A 25 -26.213 2.293 6.320 1.00 0.00 O ATOM 0 H GLY A 25 -24.249 3.336 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.199 3.026 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.268 1.854 3.114 1.00 0.00 H new ATOM 342 N VAL A 26 -25.202 0.679 5.104 1.00 0.00 N ATOM 343 CA VAL A 26 -24.618 -0.050 6.280 1.00 0.00 C ATOM 344 C VAL A 26 -23.346 0.697 6.811 1.00 0.00 C ATOM 345 O VAL A 26 -23.338 1.108 7.973 1.00 0.00 O ATOM 346 CB VAL A 26 -24.386 -1.573 5.979 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.805 -2.361 7.178 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.655 -2.332 5.522 1.00 0.00 C ATOM 0 H VAL A 26 -25.037 0.219 4.209 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.346 -0.039 7.092 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.665 -1.537 5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.671 -3.406 6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.842 -1.935 7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.492 -2.298 8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.407 -3.377 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.415 -2.273 6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -26.039 -1.881 4.607 1.00 0.00 H new ATOM 358 N GLY A 27 -22.311 0.901 5.973 1.00 0.00 N ATOM 359 CA GLY A 27 -21.269 1.924 6.229 1.00 0.00 C ATOM 360 C GLY A 27 -21.395 3.227 5.373 1.00 0.00 C ATOM 361 O GLY A 27 -22.130 3.242 4.375 1.00 0.00 O ATOM 0 H GLY A 27 -22.171 0.373 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.300 2.196 7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.291 1.479 6.044 1.00 0.00 H new ATOM 365 N PRO A 28 -20.670 4.338 5.694 1.00 0.00 N ATOM 366 CA PRO A 28 -20.660 5.573 4.854 1.00 0.00 C ATOM 367 C PRO A 28 -19.929 5.461 3.473 1.00 0.00 C ATOM 368 O PRO A 28 -19.250 4.474 3.172 1.00 0.00 O ATOM 369 CB PRO A 28 -19.983 6.581 5.811 1.00 0.00 C ATOM 370 CG PRO A 28 -19.078 5.734 6.703 1.00 0.00 C ATOM 371 CD PRO A 28 -19.900 4.476 6.945 1.00 0.00 C ATOM 0 HA PRO A 28 -21.661 5.848 4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.408 7.325 5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.722 7.123 6.400 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.130 5.507 6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.841 6.245 7.636 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.266 3.608 7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.553 4.581 7.812 1.00 0.00 H new ATOM 379 N HIS A 29 -20.038 6.502 2.630 1.00 0.00 N ATOM 380 CA HIS A 29 -19.405 6.503 1.282 1.00 0.00 C ATOM 381 C HIS A 29 -17.850 6.709 1.329 1.00 0.00 C ATOM 382 O HIS A 29 -17.361 7.798 1.652 1.00 0.00 O ATOM 383 CB HIS A 29 -20.183 7.461 0.339 1.00 0.00 C ATOM 384 CG HIS A 29 -20.084 8.981 0.510 1.00 0.00 C ATOM 385 ND1 HIS A 29 -21.132 9.775 0.956 1.00 0.00 N ATOM 386 CD2 HIS A 29 -19.044 9.781 0.008 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.602 11.013 0.688 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.353 11.121 0.141 1.00 0.00 N ATOM 0 H HIS A 29 -20.554 7.354 2.849 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.491 5.508 0.845 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.870 7.232 -0.680 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.238 7.198 0.415 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -22.031 9.515 1.363 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.129 9.401 -0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.172 11.903 0.909 1.00 0.00 H new ATOM 396 N LEU A 30 -17.061 5.661 1.017 1.00 0.00 N ATOM 397 CA LEU A 30 -15.560 5.747 1.048 1.00 0.00 C ATOM 398 C LEU A 30 -14.848 6.494 -0.136 1.00 0.00 C ATOM 399 O LEU A 30 -13.645 6.755 -0.042 1.00 0.00 O ATOM 400 CB LEU A 30 -14.941 4.341 1.306 1.00 0.00 C ATOM 401 CG LEU A 30 -15.224 3.682 2.684 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.642 2.262 2.742 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.684 4.478 3.887 1.00 0.00 C ATOM 0 H LEU A 30 -17.420 4.747 0.741 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.357 6.414 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.300 3.666 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.861 4.420 1.185 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.311 3.662 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.853 1.822 3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.096 1.651 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.564 2.304 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.923 3.950 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.603 4.582 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.143 5.466 3.905 1.00 0.00 H new ATOM 415 N ASN A 31 -15.567 6.920 -1.191 1.00 0.00 N ATOM 416 CA ASN A 31 -15.082 7.945 -2.159 1.00 0.00 C ATOM 417 C ASN A 31 -14.805 9.329 -1.478 1.00 0.00 C ATOM 418 O ASN A 31 -15.682 9.902 -0.820 1.00 0.00 O ATOM 419 CB ASN A 31 -16.052 8.048 -3.372 1.00 0.00 C ATOM 420 CG ASN A 31 -17.537 8.332 -3.084 1.00 0.00 C ATOM 421 OD1 ASN A 31 -18.237 7.520 -2.490 1.00 0.00 O ATOM 422 ND2 ASN A 31 -18.091 9.451 -3.485 1.00 0.00 N ATOM 0 H ASN A 31 -16.501 6.569 -1.404 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.115 7.617 -2.541 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.682 8.835 -4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.992 7.113 -3.929 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.079 9.626 -3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.534 10.146 -3.982 1.00 0.00 H new ATOM 429 N GLY A 32 -13.556 9.808 -1.574 1.00 0.00 N ATOM 430 CA GLY A 32 -13.094 11.007 -0.818 1.00 0.00 C ATOM 431 C GLY A 32 -12.729 10.857 0.680 1.00 0.00 C ATOM 432 O GLY A 32 -12.760 11.862 1.390 1.00 0.00 O ATOM 0 H GLY A 32 -12.838 9.390 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.218 11.402 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.875 11.764 -0.892 1.00 0.00 H new ATOM 436 N VAL A 33 -12.382 9.654 1.174 1.00 0.00 N ATOM 437 CA VAL A 33 -12.024 9.436 2.615 1.00 0.00 C ATOM 438 C VAL A 33 -10.578 9.864 3.055 1.00 0.00 C ATOM 439 O VAL A 33 -10.408 10.274 4.206 1.00 0.00 O ATOM 440 CB VAL A 33 -12.429 7.984 3.050 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.510 6.866 2.509 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.553 7.822 4.583 1.00 0.00 C ATOM 0 H VAL A 33 -12.338 8.808 0.606 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.621 10.151 3.182 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.409 7.861 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.868 5.899 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.521 6.882 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.492 7.028 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.835 6.796 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.596 8.052 5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.315 8.504 4.960 1.00 0.00 H new ATOM 452 N VAL A 34 -9.545 9.764 2.194 1.00 0.00 N ATOM 453 CA VAL A 34 -8.121 10.011 2.590 1.00 0.00 C ATOM 454 C VAL A 34 -7.883 11.543 2.834 1.00 0.00 C ATOM 455 O VAL A 34 -8.050 12.367 1.929 1.00 0.00 O ATOM 456 CB VAL A 34 -7.107 9.383 1.568 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.636 9.498 2.037 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.355 7.887 1.265 1.00 0.00 C ATOM 0 H VAL A 34 -9.660 9.513 1.212 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.931 9.500 3.534 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.279 9.970 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.980 9.048 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.375 10.549 2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.516 8.979 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.612 7.532 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.276 7.311 2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.352 7.762 0.843 1.00 0.00 H new ATOM 468 N GLY A 35 -7.545 11.910 4.082 1.00 0.00 N ATOM 469 CA GLY A 35 -7.593 13.329 4.540 1.00 0.00 C ATOM 470 C GLY A 35 -8.922 13.894 5.113 1.00 0.00 C ATOM 471 O GLY A 35 -8.913 15.032 5.585 1.00 0.00 O ATOM 0 H GLY A 35 -7.235 11.253 4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.826 13.453 5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.306 13.956 3.696 1.00 0.00 H new ATOM 475 N ARG A 36 -10.045 13.154 5.083 1.00 0.00 N ATOM 476 CA ARG A 36 -11.370 13.652 5.548 1.00 0.00 C ATOM 477 C ARG A 36 -11.592 13.399 7.073 1.00 0.00 C ATOM 478 O ARG A 36 -11.114 12.413 7.642 1.00 0.00 O ATOM 479 CB ARG A 36 -12.445 12.976 4.649 1.00 0.00 C ATOM 480 CG ARG A 36 -13.899 13.502 4.813 1.00 0.00 C ATOM 481 CD ARG A 36 -14.888 13.010 3.738 1.00 0.00 C ATOM 482 NE ARG A 36 -15.203 11.562 3.904 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.718 10.768 2.963 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.016 11.174 1.757 1.00 0.00 N ATOM 485 NH2 ARG A 36 -15.937 9.523 3.263 1.00 0.00 N ATOM 0 H ARG A 36 -10.069 12.194 4.738 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.435 14.735 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.150 13.101 3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.442 11.906 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.271 13.203 5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.880 14.592 4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.808 13.592 3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.465 13.180 2.748 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.008 11.143 4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.857 12.146 1.492 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.408 10.519 1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.716 9.177 4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.330 8.892 2.565 1.00 0.00 H new ATOM 499 N THR A 37 -12.357 14.292 7.723 1.00 0.00 N ATOM 500 CA THR A 37 -12.616 14.246 9.193 1.00 0.00 C ATOM 501 C THR A 37 -13.306 12.922 9.677 1.00 0.00 C ATOM 502 O THR A 37 -14.156 12.345 8.987 1.00 0.00 O ATOM 503 CB THR A 37 -13.397 15.547 9.572 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.635 16.701 9.224 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.718 15.730 11.065 1.00 0.00 C ATOM 0 H THR A 37 -12.819 15.071 7.254 1.00 0.00 H new ATOM 0 HA THR A 37 -11.668 14.222 9.730 1.00 0.00 H new ATOM 0 HB THR A 37 -14.332 15.438 9.023 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.713 16.436 9.023 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.260 16.665 11.209 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.332 14.898 11.410 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.790 15.757 11.636 1.00 0.00 H new ATOM 513 N VAL A 38 -12.945 12.454 10.887 1.00 0.00 N ATOM 514 CA VAL A 38 -13.605 11.282 11.542 1.00 0.00 C ATOM 515 C VAL A 38 -15.084 11.655 11.923 1.00 0.00 C ATOM 516 O VAL A 38 -15.324 12.656 12.606 1.00 0.00 O ATOM 517 CB VAL A 38 -12.766 10.757 12.761 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.377 9.482 13.386 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.291 10.408 12.441 1.00 0.00 C ATOM 0 H VAL A 38 -12.196 12.866 11.443 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.647 10.451 10.838 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.793 11.604 13.446 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.762 9.157 14.225 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.386 9.697 13.738 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.415 8.692 12.636 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.796 10.055 13.346 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.258 9.627 11.681 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.779 11.296 12.070 1.00 0.00 H new ATOM 529 N ALA A 39 -16.065 10.892 11.397 1.00 0.00 N ATOM 530 CA ALA A 39 -17.496 11.324 11.307 1.00 0.00 C ATOM 531 C ALA A 39 -17.869 12.507 10.334 1.00 0.00 C ATOM 532 O ALA A 39 -18.967 13.064 10.430 1.00 0.00 O ATOM 533 CB ALA A 39 -18.136 11.455 12.709 1.00 0.00 C ATOM 0 H ALA A 39 -15.899 9.959 11.020 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.960 10.493 10.776 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.174 11.770 12.607 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.097 10.492 13.218 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.588 12.195 13.291 1.00 0.00 H new ATOM 539 N GLY A 40 -17.023 12.852 9.344 1.00 0.00 N ATOM 540 CA GLY A 40 -17.253 14.009 8.434 1.00 0.00 C ATOM 541 C GLY A 40 -17.964 13.706 7.101 1.00 0.00 C ATOM 542 O GLY A 40 -17.448 14.031 6.029 1.00 0.00 O ATOM 0 H GLY A 40 -16.161 12.343 9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.839 14.754 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.288 14.464 8.210 1.00 0.00 H new ATOM 546 N VAL A 41 -19.168 13.132 7.192 1.00 0.00 N ATOM 547 CA VAL A 41 -20.095 12.964 6.030 1.00 0.00 C ATOM 548 C VAL A 41 -21.520 13.415 6.488 1.00 0.00 C ATOM 549 O VAL A 41 -22.120 12.817 7.388 1.00 0.00 O ATOM 550 CB VAL A 41 -20.096 11.510 5.433 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.096 11.321 4.268 1.00 0.00 C ATOM 552 CG2 VAL A 41 -18.721 11.052 4.903 1.00 0.00 C ATOM 0 H VAL A 41 -19.543 12.765 8.067 1.00 0.00 H new ATOM 0 HA VAL A 41 -19.746 13.589 5.208 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.389 10.904 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.042 10.294 3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.107 11.530 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -20.844 12.005 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.802 10.040 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.393 11.726 4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.995 11.067 5.716 1.00 0.00 H new ATOM 562 N ASP A 42 -22.102 14.417 5.800 1.00 0.00 N ATOM 563 CA ASP A 42 -23.569 14.690 5.887 1.00 0.00 C ATOM 564 C ASP A 42 -24.329 13.712 4.932 1.00 0.00 C ATOM 565 O ASP A 42 -24.187 13.778 3.707 1.00 0.00 O ATOM 566 CB ASP A 42 -23.841 16.182 5.551 1.00 0.00 C ATOM 567 CG ASP A 42 -23.448 17.222 6.608 1.00 0.00 C ATOM 568 OD1 ASP A 42 -22.234 16.960 7.175 1.00 0.00 O ATOM 569 OD2 ASP A 42 -24.151 18.186 6.892 1.00 0.00 O ATOM 0 H ASP A 42 -21.594 15.050 5.182 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.935 14.516 6.899 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.313 16.422 4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.906 16.294 5.347 1.00 0.00 H new ATOM 574 N GLY A 43 -25.059 12.751 5.517 1.00 0.00 N ATOM 575 CA GLY A 43 -25.507 11.533 4.786 1.00 0.00 C ATOM 576 C GLY A 43 -25.617 10.253 5.644 1.00 0.00 C ATOM 577 O GLY A 43 -26.609 9.533 5.528 1.00 0.00 O ATOM 0 H GLY A 43 -25.357 12.784 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -26.480 11.735 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -24.812 11.344 3.968 1.00 0.00 H new ATOM 581 N PHE A 44 -24.600 9.951 6.472 1.00 0.00 N ATOM 582 CA PHE A 44 -24.625 8.787 7.402 1.00 0.00 C ATOM 583 C PHE A 44 -24.871 9.233 8.883 1.00 0.00 C ATOM 584 O PHE A 44 -24.262 10.188 9.377 1.00 0.00 O ATOM 585 CB PHE A 44 -23.282 8.029 7.222 1.00 0.00 C ATOM 586 CG PHE A 44 -23.214 6.661 7.920 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.813 5.535 7.345 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.583 6.542 9.161 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.788 4.313 8.010 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.550 5.317 9.820 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.154 4.202 9.245 1.00 0.00 C ATOM 0 H PHE A 44 -23.740 10.497 6.522 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.457 8.124 7.166 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.102 7.887 6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.474 8.655 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.296 5.614 6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.118 7.406 9.612 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.261 3.449 7.568 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.056 5.231 10.777 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.131 3.251 9.757 1.00 0.00 H new ATOM 601 N ASN A 45 -25.717 8.482 9.615 1.00 0.00 N ATOM 602 CA ASN A 45 -25.929 8.694 11.074 1.00 0.00 C ATOM 603 C ASN A 45 -24.818 7.979 11.918 1.00 0.00 C ATOM 604 O ASN A 45 -24.939 6.800 12.268 1.00 0.00 O ATOM 605 CB ASN A 45 -27.372 8.213 11.393 1.00 0.00 C ATOM 606 CG ASN A 45 -27.877 8.574 12.784 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.355 9.672 13.040 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.800 7.673 13.725 1.00 0.00 N ATOM 0 H ASN A 45 -26.270 7.719 9.225 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.839 9.745 11.347 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -28.052 8.637 10.654 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.412 7.130 11.278 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -28.136 7.886 14.664 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -27.403 6.756 13.521 1.00 0.00 H new ATOM 615 N TYR A 46 -23.743 8.710 12.249 1.00 0.00 N ATOM 616 CA TYR A 46 -22.563 8.152 12.969 1.00 0.00 C ATOM 617 C TYR A 46 -22.804 7.837 14.484 1.00 0.00 C ATOM 618 O TYR A 46 -23.607 8.481 15.164 1.00 0.00 O ATOM 619 CB TYR A 46 -21.371 9.140 12.793 1.00 0.00 C ATOM 620 CG TYR A 46 -20.733 9.158 11.396 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.783 8.193 11.048 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.099 10.128 10.456 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.214 8.188 9.779 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.528 10.122 9.187 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.588 9.154 8.848 1.00 0.00 C ATOM 626 OH TYR A 46 -19.020 9.164 7.605 1.00 0.00 O ATOM 0 H TYR A 46 -23.656 9.703 12.031 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.346 7.182 12.522 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.717 10.146 13.029 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.601 8.888 13.523 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.489 7.446 11.770 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.826 10.883 10.716 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.484 7.437 9.516 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.815 10.871 8.464 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.060 8.983 7.683 1.00 0.00 H new ATOM 636 N SER A 47 -22.055 6.853 15.018 1.00 0.00 N ATOM 637 CA SER A 47 -22.054 6.536 16.473 1.00 0.00 C ATOM 638 C SER A 47 -21.379 7.633 17.358 1.00 0.00 C ATOM 639 O SER A 47 -20.430 8.300 16.930 1.00 0.00 O ATOM 640 CB SER A 47 -21.385 5.151 16.674 1.00 0.00 C ATOM 641 OG SER A 47 -19.969 5.185 16.461 1.00 0.00 O ATOM 0 H SER A 47 -21.438 6.257 14.466 1.00 0.00 H new ATOM 0 HA SER A 47 -23.090 6.510 16.811 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.588 4.797 17.685 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.834 4.432 15.989 1.00 0.00 H new ATOM 0 HG SER A 47 -19.779 5.064 15.507 1.00 0.00 H new ATOM 647 N ASP A 48 -21.841 7.791 18.615 1.00 0.00 N ATOM 648 CA ASP A 48 -21.258 8.785 19.571 1.00 0.00 C ATOM 649 C ASP A 48 -19.699 8.694 19.796 1.00 0.00 C ATOM 650 O ASP A 48 -19.075 9.755 19.698 1.00 0.00 O ATOM 651 CB ASP A 48 -22.051 8.833 20.908 1.00 0.00 C ATOM 652 CG ASP A 48 -23.513 9.279 20.799 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.847 10.421 20.498 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.389 8.267 21.069 1.00 0.00 O ATOM 0 H ASP A 48 -22.614 7.249 19.002 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.381 9.743 19.066 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.026 7.841 21.360 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.535 9.508 21.591 1.00 0.00 H new ATOM 659 N PRO A 49 -19.007 7.531 20.011 1.00 0.00 N ATOM 660 CA PRO A 49 -17.515 7.460 19.988 1.00 0.00 C ATOM 661 C PRO A 49 -16.767 7.789 18.658 1.00 0.00 C ATOM 662 O PRO A 49 -15.659 8.323 18.713 1.00 0.00 O ATOM 663 CB PRO A 49 -17.235 6.028 20.485 1.00 0.00 C ATOM 664 CG PRO A 49 -18.529 5.570 21.160 1.00 0.00 C ATOM 665 CD PRO A 49 -19.625 6.232 20.330 1.00 0.00 C ATOM 0 HA PRO A 49 -17.110 8.263 20.604 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.970 5.370 19.657 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.400 6.012 21.185 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.622 4.484 21.152 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.570 5.886 22.202 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.863 5.660 19.433 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.553 6.346 20.891 1.00 0.00 H new ATOM 673 N MET A 50 -17.361 7.509 17.483 1.00 0.00 N ATOM 674 CA MET A 50 -16.890 8.073 16.183 1.00 0.00 C ATOM 675 C MET A 50 -17.052 9.629 16.049 1.00 0.00 C ATOM 676 O MET A 50 -16.118 10.298 15.599 1.00 0.00 O ATOM 677 CB MET A 50 -17.594 7.271 15.053 1.00 0.00 C ATOM 678 CG MET A 50 -17.008 7.466 13.640 1.00 0.00 C ATOM 679 SD MET A 50 -15.328 6.821 13.530 1.00 0.00 S ATOM 680 CE MET A 50 -15.664 5.113 13.074 1.00 0.00 C ATOM 0 H MET A 50 -18.171 6.895 17.397 1.00 0.00 H new ATOM 0 HA MET A 50 -15.809 7.952 16.111 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.551 6.211 15.302 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.647 7.552 15.033 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.641 6.963 12.909 1.00 0.00 H new ATOM 0 HG3 MET A 50 -17.010 8.526 13.387 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.745 4.642 12.726 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.043 4.573 13.941 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.408 5.089 12.278 1.00 0.00 H new ATOM 690 N LYS A 51 -18.196 10.205 16.469 1.00 0.00 N ATOM 691 CA LYS A 51 -18.386 11.686 16.554 1.00 0.00 C ATOM 692 C LYS A 51 -17.465 12.406 17.598 1.00 0.00 C ATOM 693 O LYS A 51 -16.831 13.407 17.255 1.00 0.00 O ATOM 694 CB LYS A 51 -19.888 12.013 16.792 1.00 0.00 C ATOM 695 CG LYS A 51 -20.859 11.604 15.657 1.00 0.00 C ATOM 696 CD LYS A 51 -22.323 12.067 15.833 1.00 0.00 C ATOM 697 CE LYS A 51 -23.120 11.398 16.972 1.00 0.00 C ATOM 698 NZ LYS A 51 -22.898 12.066 18.272 1.00 0.00 N ATOM 0 H LYS A 51 -19.015 9.671 16.759 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.069 12.090 15.593 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.206 11.520 17.711 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.984 13.086 16.957 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.480 12.005 14.717 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.848 10.518 15.568 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.323 13.144 16.002 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.852 11.891 14.896 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.183 11.419 16.731 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.831 10.350 17.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.009 11.375 19.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.937 12.462 18.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.592 12.832 18.392 1.00 0.00 H new ATOM 711 N ALA A 52 -17.349 11.890 18.837 1.00 0.00 N ATOM 712 CA ALA A 52 -16.379 12.400 19.845 1.00 0.00 C ATOM 713 C ALA A 52 -14.887 11.906 19.745 1.00 0.00 C ATOM 714 O ALA A 52 -14.136 12.062 20.712 1.00 0.00 O ATOM 715 CB ALA A 52 -17.024 12.050 21.203 1.00 0.00 C ATOM 0 H ALA A 52 -17.918 11.113 19.173 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.232 13.467 19.677 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.377 12.390 22.012 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.993 12.542 21.283 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.158 10.971 21.275 1.00 0.00 H new ATOM 721 N HIS A 53 -14.419 11.380 18.592 1.00 0.00 N ATOM 722 CA HIS A 53 -13.003 10.947 18.408 1.00 0.00 C ATOM 723 C HIS A 53 -11.989 12.132 18.236 1.00 0.00 C ATOM 724 O HIS A 53 -11.042 12.232 19.020 1.00 0.00 O ATOM 725 CB HIS A 53 -12.973 9.909 17.249 1.00 0.00 C ATOM 726 CG HIS A 53 -11.677 9.107 17.139 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.695 9.351 16.188 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.328 8.009 17.945 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.816 8.352 16.521 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.108 7.495 17.550 1.00 0.00 N ATOM 0 H HIS A 53 -15.000 11.242 17.765 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.648 10.473 19.323 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.803 9.215 17.380 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.141 10.432 16.308 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.927 7.623 18.756 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.893 8.241 15.972 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.578 6.705 17.918 1.00 0.00 H new ATOM 738 N GLY A 54 -12.172 13.004 17.223 1.00 0.00 N ATOM 739 CA GLY A 54 -11.253 14.147 16.971 1.00 0.00 C ATOM 740 C GLY A 54 -10.025 13.808 16.108 1.00 0.00 C ATOM 741 O GLY A 54 -8.960 13.467 16.626 1.00 0.00 O ATOM 0 H GLY A 54 -12.947 12.943 16.563 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.813 14.945 16.484 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.910 14.537 17.929 1.00 0.00 H new ATOM 745 N GLY A 55 -10.180 13.940 14.789 1.00 0.00 N ATOM 746 CA GLY A 55 -9.082 13.670 13.831 1.00 0.00 C ATOM 747 C GLY A 55 -9.484 13.680 12.341 1.00 0.00 C ATOM 748 O GLY A 55 -10.632 13.940 11.967 1.00 0.00 O ATOM 0 H GLY A 55 -11.053 14.232 14.350 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.299 14.413 13.983 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.649 12.698 14.066 1.00 0.00 H new ATOM 752 N ASP A 56 -8.503 13.354 11.488 1.00 0.00 N ATOM 753 CA ASP A 56 -8.711 13.182 10.019 1.00 0.00 C ATOM 754 C ASP A 56 -8.082 11.841 9.531 1.00 0.00 C ATOM 755 O ASP A 56 -7.086 11.347 10.077 1.00 0.00 O ATOM 756 CB ASP A 56 -8.123 14.382 9.226 1.00 0.00 C ATOM 757 CG ASP A 56 -8.830 15.720 9.445 1.00 0.00 C ATOM 758 OD1 ASP A 56 -8.532 16.516 10.329 1.00 0.00 O ATOM 759 OD2 ASP A 56 -9.838 15.920 8.555 1.00 0.00 O ATOM 0 H ASP A 56 -7.539 13.199 11.783 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.784 13.150 9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.073 14.496 9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.154 14.144 8.163 1.00 0.00 H new ATOM 764 N TRP A 57 -8.655 11.257 8.464 1.00 0.00 N ATOM 765 CA TRP A 57 -8.264 9.901 7.984 1.00 0.00 C ATOM 766 C TRP A 57 -6.994 9.904 7.074 1.00 0.00 C ATOM 767 O TRP A 57 -7.048 9.736 5.853 1.00 0.00 O ATOM 768 CB TRP A 57 -9.501 9.213 7.341 1.00 0.00 C ATOM 769 CG TRP A 57 -10.546 8.647 8.317 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.897 9.050 8.393 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.391 7.687 9.311 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.594 8.345 9.391 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.641 7.524 9.958 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.245 6.998 9.792 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.750 6.705 11.105 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.374 6.203 10.930 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.606 6.069 11.583 1.00 0.00 C ATOM 0 H TRP A 57 -9.392 11.695 7.911 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.952 9.304 8.841 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.995 9.935 6.691 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.149 8.400 6.706 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.341 9.806 7.763 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.580 8.423 9.639 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.295 7.088 9.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.701 6.575 11.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.510 5.682 11.314 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.670 5.461 12.474 1.00 0.00 H new ATOM 788 N THR A 58 -5.832 10.045 7.721 1.00 0.00 N ATOM 789 CA THR A 58 -4.490 9.894 7.085 1.00 0.00 C ATOM 790 C THR A 58 -4.124 8.397 6.755 1.00 0.00 C ATOM 791 O THR A 58 -4.685 7.496 7.393 1.00 0.00 O ATOM 792 CB THR A 58 -3.408 10.538 8.017 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.417 9.966 9.321 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.521 12.062 8.190 1.00 0.00 C ATOM 0 H THR A 58 -5.781 10.270 8.715 1.00 0.00 H new ATOM 0 HA THR A 58 -4.518 10.411 6.126 1.00 0.00 H new ATOM 0 HB THR A 58 -2.477 10.323 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.727 10.393 9.870 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.729 12.413 8.852 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.423 12.547 7.219 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.491 12.308 8.623 1.00 0.00 H new ATOM 802 N PRO A 59 -3.172 8.055 5.828 1.00 0.00 N ATOM 803 CA PRO A 59 -2.688 6.648 5.638 1.00 0.00 C ATOM 804 C PRO A 59 -2.249 5.851 6.912 1.00 0.00 C ATOM 805 O PRO A 59 -2.710 4.730 7.139 1.00 0.00 O ATOM 806 CB PRO A 59 -1.564 6.821 4.594 1.00 0.00 C ATOM 807 CG PRO A 59 -1.177 8.300 4.610 1.00 0.00 C ATOM 808 CD PRO A 59 -2.475 9.024 4.954 1.00 0.00 C ATOM 0 HA PRO A 59 -3.507 6.002 5.322 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.707 6.194 4.840 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.906 6.521 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.401 8.501 5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.787 8.620 3.644 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.288 9.968 5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.057 9.255 4.062 1.00 0.00 H new ATOM 816 N GLU A 60 -1.423 6.480 7.761 1.00 0.00 N ATOM 817 CA GLU A 60 -1.144 6.018 9.153 1.00 0.00 C ATOM 818 C GLU A 60 -2.385 5.745 10.081 1.00 0.00 C ATOM 819 O GLU A 60 -2.486 4.647 10.635 1.00 0.00 O ATOM 820 CB GLU A 60 -0.045 6.919 9.784 1.00 0.00 C ATOM 821 CG GLU A 60 -0.434 8.389 10.080 1.00 0.00 C ATOM 822 CD GLU A 60 0.720 9.266 10.556 1.00 0.00 C ATOM 823 OE1 GLU A 60 1.005 9.068 11.877 1.00 0.00 O ATOM 824 OE2 GLU A 60 1.311 10.056 9.827 1.00 0.00 O ATOM 0 H GLU A 60 -0.920 7.331 7.511 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.762 5.001 9.063 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.278 6.458 10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.816 6.923 9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.859 8.828 9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.217 8.399 10.838 1.00 0.00 H new ATOM 831 N ALA A 61 -3.338 6.692 10.213 1.00 0.00 N ATOM 832 CA ALA A 61 -4.622 6.458 10.935 1.00 0.00 C ATOM 833 C ALA A 61 -5.574 5.381 10.315 1.00 0.00 C ATOM 834 O ALA A 61 -6.077 4.523 11.048 1.00 0.00 O ATOM 835 CB ALA A 61 -5.314 7.826 11.086 1.00 0.00 C ATOM 0 H ALA A 61 -3.248 7.633 9.829 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.379 6.017 11.902 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.261 7.699 11.611 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.671 8.498 11.654 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.500 8.250 10.099 1.00 0.00 H new ATOM 841 N LEU A 62 -5.786 5.388 8.982 1.00 0.00 N ATOM 842 CA LEU A 62 -6.484 4.289 8.253 1.00 0.00 C ATOM 843 C LEU A 62 -5.845 2.872 8.421 1.00 0.00 C ATOM 844 O LEU A 62 -6.577 1.940 8.754 1.00 0.00 O ATOM 845 CB LEU A 62 -6.614 4.671 6.747 1.00 0.00 C ATOM 846 CG LEU A 62 -7.624 5.792 6.384 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.371 6.308 4.958 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.084 5.315 6.497 1.00 0.00 C ATOM 0 H LEU A 62 -5.482 6.150 8.376 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.468 4.196 8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.630 4.974 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.892 3.774 6.194 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.471 6.598 7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.089 7.093 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.360 6.709 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.484 5.488 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.755 6.132 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.247 4.478 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.284 4.996 7.520 1.00 0.00 H new ATOM 860 N GLN A 63 -4.518 2.682 8.244 1.00 0.00 N ATOM 861 CA GLN A 63 -3.856 1.367 8.508 1.00 0.00 C ATOM 862 C GLN A 63 -3.885 0.863 9.997 1.00 0.00 C ATOM 863 O GLN A 63 -4.056 -0.338 10.227 1.00 0.00 O ATOM 864 CB GLN A 63 -2.470 1.316 7.800 1.00 0.00 C ATOM 865 CG GLN A 63 -1.248 1.936 8.525 1.00 0.00 C ATOM 866 CD GLN A 63 -0.568 1.056 9.587 1.00 0.00 C ATOM 867 OE1 GLN A 63 -0.597 -0.173 9.557 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.085 1.656 10.551 1.00 0.00 N ATOM 0 H GLN A 63 -3.881 3.411 7.922 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.481 0.601 8.048 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.240 0.270 7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.571 1.814 6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.504 2.203 7.774 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.567 2.863 9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.117 2.675 10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.561 1.104 11.265 1.00 0.00 H new ATOM 877 N GLU A 64 -3.778 1.756 11.002 1.00 0.00 N ATOM 878 CA GLU A 64 -4.116 1.433 12.422 1.00 0.00 C ATOM 879 C GLU A 64 -5.610 1.007 12.644 1.00 0.00 C ATOM 880 O GLU A 64 -5.855 -0.075 13.187 1.00 0.00 O ATOM 881 CB GLU A 64 -3.718 2.624 13.339 1.00 0.00 C ATOM 882 CG GLU A 64 -2.198 2.882 13.487 1.00 0.00 C ATOM 883 CD GLU A 64 -1.874 4.066 14.394 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.969 5.261 13.748 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.564 3.955 15.575 1.00 0.00 O ATOM 0 H GLU A 64 -3.459 2.715 10.865 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.534 0.552 12.693 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.185 3.529 12.950 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.136 2.450 14.330 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.721 1.986 13.885 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.769 3.060 12.501 1.00 0.00 H new ATOM 892 N PHE A 65 -6.600 1.811 12.200 1.00 0.00 N ATOM 893 CA PHE A 65 -8.039 1.431 12.224 1.00 0.00 C ATOM 894 C PHE A 65 -8.421 0.140 11.423 1.00 0.00 C ATOM 895 O PHE A 65 -9.192 -0.671 11.928 1.00 0.00 O ATOM 896 CB PHE A 65 -8.809 2.697 11.765 1.00 0.00 C ATOM 897 CG PHE A 65 -10.343 2.599 11.849 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.999 2.734 13.078 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.092 2.350 10.696 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.384 2.610 13.151 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.476 2.229 10.776 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.123 2.359 11.999 1.00 0.00 C ATOM 0 H PHE A 65 -6.430 2.740 11.815 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.317 1.128 13.233 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.481 3.541 12.371 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.531 2.918 10.734 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.429 2.935 13.973 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.596 2.251 9.742 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.885 2.709 14.103 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.050 2.033 9.883 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.197 2.265 12.055 1.00 0.00 H new ATOM 912 N LEU A 66 -7.882 -0.093 10.217 1.00 0.00 N ATOM 913 CA LEU A 66 -8.024 -1.405 9.517 1.00 0.00 C ATOM 914 C LEU A 66 -7.163 -2.590 10.086 1.00 0.00 C ATOM 915 O LEU A 66 -7.417 -3.734 9.709 1.00 0.00 O ATOM 916 CB LEU A 66 -7.774 -1.194 7.996 1.00 0.00 C ATOM 917 CG LEU A 66 -8.685 -0.177 7.253 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.231 -0.019 5.794 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.174 -0.552 7.311 1.00 0.00 C ATOM 0 H LEU A 66 -7.343 0.599 9.697 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.046 -1.735 9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.739 -0.876 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.875 -2.160 7.501 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.580 0.775 7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.879 0.696 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.203 0.342 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.289 -0.983 5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.759 0.196 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.322 -1.528 6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.499 -0.590 8.351 1.00 0.00 H new ATOM 931 N THR A 67 -6.204 -2.363 11.008 1.00 0.00 N ATOM 932 CA THR A 67 -5.618 -3.441 11.864 1.00 0.00 C ATOM 933 C THR A 67 -6.614 -3.903 12.986 1.00 0.00 C ATOM 934 O THR A 67 -6.938 -5.091 13.040 1.00 0.00 O ATOM 935 CB THR A 67 -4.226 -3.011 12.428 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.375 -2.501 11.406 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.439 -4.170 13.062 1.00 0.00 C ATOM 0 H THR A 67 -5.810 -1.439 11.187 1.00 0.00 H new ATOM 0 HA THR A 67 -5.449 -4.316 11.236 1.00 0.00 H new ATOM 0 HB THR A 67 -4.471 -2.257 13.176 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.576 -1.554 11.256 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.483 -3.801 13.433 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.012 -4.589 13.889 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.264 -4.943 12.314 1.00 0.00 H new ATOM 945 N ASN A 68 -7.098 -2.995 13.863 1.00 0.00 N ATOM 946 CA ASN A 68 -8.204 -3.297 14.815 1.00 0.00 C ATOM 947 C ASN A 68 -9.132 -2.031 14.931 1.00 0.00 C ATOM 948 O ASN A 68 -8.737 -1.078 15.618 1.00 0.00 O ATOM 949 CB ASN A 68 -7.623 -3.771 16.177 1.00 0.00 C ATOM 950 CG ASN A 68 -8.660 -4.295 17.187 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.767 -3.786 17.337 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.331 -5.311 17.946 1.00 0.00 N ATOM 0 H ASN A 68 -6.742 -2.042 13.935 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.820 -4.119 14.451 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.894 -4.559 15.988 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.084 -2.940 16.632 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.989 -5.662 18.642 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.417 -5.751 17.841 1.00 0.00 H new ATOM 959 N PRO A 69 -10.364 -1.972 14.337 1.00 0.00 N ATOM 960 CA PRO A 69 -11.236 -0.768 14.443 1.00 0.00 C ATOM 961 C PRO A 69 -11.897 -0.484 15.829 1.00 0.00 C ATOM 962 O PRO A 69 -12.024 0.682 16.213 1.00 0.00 O ATOM 963 CB PRO A 69 -12.227 -0.945 13.278 1.00 0.00 C ATOM 964 CG PRO A 69 -12.176 -2.411 12.852 1.00 0.00 C ATOM 965 CD PRO A 69 -10.863 -2.984 13.384 1.00 0.00 C ATOM 0 HA PRO A 69 -10.643 0.144 14.369 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.235 -0.670 13.587 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.960 -0.294 12.445 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.028 -2.960 13.254 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.224 -2.499 11.767 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.021 -3.944 13.875 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.150 -3.152 12.577 1.00 0.00 H new ATOM 973 N LYS A 70 -12.270 -1.535 16.580 1.00 0.00 N ATOM 974 CA LYS A 70 -12.757 -1.423 17.986 1.00 0.00 C ATOM 975 C LYS A 70 -11.724 -0.899 19.039 1.00 0.00 C ATOM 976 O LYS A 70 -12.103 -0.160 19.949 1.00 0.00 O ATOM 977 CB LYS A 70 -13.376 -2.777 18.439 1.00 0.00 C ATOM 978 CG LYS A 70 -14.641 -3.291 17.702 1.00 0.00 C ATOM 979 CD LYS A 70 -14.364 -4.096 16.410 1.00 0.00 C ATOM 980 CE LYS A 70 -15.594 -4.828 15.842 1.00 0.00 C ATOM 981 NZ LYS A 70 -15.946 -6.024 16.636 1.00 0.00 N ATOM 0 H LYS A 70 -12.246 -2.495 16.236 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.513 -0.639 17.958 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.605 -3.542 18.348 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.619 -2.693 19.498 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.213 -3.917 18.387 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.270 -2.436 17.452 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.977 -3.418 15.650 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.582 -4.828 16.613 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.443 -4.145 15.820 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.396 -5.123 14.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.779 -6.485 16.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.146 -6.688 16.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.161 -5.741 17.613 1.00 0.00 H new ATOM 994 N ALA A 71 -10.439 -1.262 18.914 1.00 0.00 N ATOM 995 CA ALA A 71 -9.337 -0.631 19.691 1.00 0.00 C ATOM 996 C ALA A 71 -9.030 0.870 19.360 1.00 0.00 C ATOM 997 O ALA A 71 -8.838 1.660 20.288 1.00 0.00 O ATOM 998 CB ALA A 71 -8.097 -1.528 19.521 1.00 0.00 C ATOM 0 H ALA A 71 -10.125 -1.995 18.278 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.659 -0.571 20.731 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.261 -1.102 20.076 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.315 -2.526 19.902 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.836 -1.592 18.465 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.989 1.271 18.072 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.756 2.696 17.665 1.00 0.00 C ATOM 1006 C VAL A 72 -9.987 3.627 17.953 1.00 0.00 C ATOM 1007 O VAL A 72 -9.808 4.661 18.605 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.212 2.765 16.193 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -8.051 4.203 15.637 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.840 2.072 16.027 1.00 0.00 C ATOM 0 H VAL A 72 -9.113 0.635 17.285 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.973 3.109 18.301 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.985 2.243 15.629 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.671 4.158 14.616 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.018 4.706 15.642 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.350 4.758 16.261 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.515 2.152 14.990 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.108 2.554 16.675 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.928 1.020 16.300 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.203 3.299 17.473 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.443 4.048 17.842 1.00 0.00 C ATOM 1022 C VAL A 73 -13.209 3.164 18.882 1.00 0.00 C ATOM 1023 O VAL A 73 -13.906 2.207 18.520 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.288 4.437 16.582 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.574 5.215 16.946 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.531 5.299 15.542 1.00 0.00 C ATOM 0 H VAL A 73 -11.363 2.524 16.830 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.208 5.010 18.297 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.523 3.468 16.142 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.121 5.459 16.036 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.201 4.600 17.592 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.308 6.135 17.467 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.191 5.521 14.704 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.209 6.231 16.007 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.659 4.753 15.182 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.069 3.492 20.180 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.598 2.652 21.292 1.00 0.00 C ATOM 1038 C LYS A 74 -15.154 2.737 21.456 1.00 0.00 C ATOM 1039 O LYS A 74 -15.716 3.663 22.045 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.758 2.916 22.571 1.00 0.00 C ATOM 1041 CG LYS A 74 -12.975 4.279 23.266 1.00 0.00 C ATOM 1042 CD LYS A 74 -11.867 4.692 24.257 1.00 0.00 C ATOM 1043 CE LYS A 74 -11.799 3.822 25.524 1.00 0.00 C ATOM 1044 NZ LYS A 74 -10.743 4.325 26.424 1.00 0.00 N ATOM 0 H LYS A 74 -12.592 4.337 20.495 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.468 1.598 21.048 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.975 2.127 23.291 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.703 2.829 22.311 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.062 5.050 22.500 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.925 4.250 23.799 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.904 4.648 23.747 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.026 5.730 24.550 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.761 3.834 26.036 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.595 2.786 25.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.703 3.732 27.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.825 4.291 25.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.955 5.307 26.694 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.831 1.750 20.863 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.303 1.791 20.634 1.00 0.00 C ATOM 1059 C GLY A 75 -17.808 2.240 19.238 1.00 0.00 C ATOM 1060 O GLY A 75 -18.897 2.809 19.144 1.00 0.00 O ATOM 0 H GLY A 75 -15.388 0.896 20.524 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.700 0.794 20.828 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.739 2.458 21.378 1.00 0.00 H new ATOM 1064 N THR A 76 -17.082 1.916 18.153 1.00 0.00 N ATOM 1065 CA THR A 76 -17.615 1.984 16.759 1.00 0.00 C ATOM 1066 C THR A 76 -18.661 0.861 16.450 1.00 0.00 C ATOM 1067 O THR A 76 -18.487 -0.293 16.857 1.00 0.00 O ATOM 1068 CB THR A 76 -16.426 1.978 15.743 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.907 2.142 14.417 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.519 0.734 15.697 1.00 0.00 C ATOM 0 H THR A 76 -16.114 1.600 18.205 1.00 0.00 H new ATOM 0 HA THR A 76 -18.163 2.920 16.654 1.00 0.00 H new ATOM 0 HB THR A 76 -15.817 2.800 16.118 1.00 0.00 H new ATOM 0 HG1 THR A 76 -17.712 2.701 14.428 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.742 0.878 14.946 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.057 0.584 16.673 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.115 -0.141 15.439 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.711 1.172 15.661 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.617 0.116 15.101 1.00 0.00 C ATOM 1080 C LYS A 77 -20.077 -0.722 13.877 1.00 0.00 C ATOM 1081 O LYS A 77 -20.825 -1.530 13.319 1.00 0.00 O ATOM 1082 CB LYS A 77 -22.038 0.722 14.884 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.291 1.489 13.563 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.752 1.945 13.350 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.103 3.325 13.932 1.00 0.00 C ATOM 1086 NZ LYS A 77 -23.513 4.406 13.117 1.00 0.00 N ATOM 0 H LYS A 77 -19.960 2.125 15.394 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.666 -0.668 15.856 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.763 -0.089 14.947 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.245 1.400 15.712 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.644 2.366 13.538 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.998 0.853 12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -23.959 1.957 12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -24.415 1.203 13.794 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.186 3.443 13.971 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.738 3.396 14.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.227 5.143 12.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.703 4.819 13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.193 4.019 12.206 1.00 0.00 H new ATOM 1099 N MET A 78 -18.804 -0.561 13.457 1.00 0.00 N ATOM 1100 CA MET A 78 -18.209 -1.329 12.336 1.00 0.00 C ATOM 1101 C MET A 78 -17.880 -2.802 12.738 1.00 0.00 C ATOM 1102 O MET A 78 -16.911 -3.065 13.457 1.00 0.00 O ATOM 1103 CB MET A 78 -16.982 -0.542 11.796 1.00 0.00 C ATOM 1104 CG MET A 78 -16.305 -1.231 10.595 1.00 0.00 C ATOM 1105 SD MET A 78 -15.556 -0.038 9.417 1.00 0.00 S ATOM 1106 CE MET A 78 -13.858 -0.707 9.528 1.00 0.00 C ATOM 0 H MET A 78 -18.158 0.104 13.883 1.00 0.00 H new ATOM 0 HA MET A 78 -18.935 -1.427 11.529 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.300 0.458 11.502 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.253 -0.422 12.597 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.532 -1.908 10.959 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.041 -1.840 10.069 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.197 -0.130 8.881 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.507 -0.640 10.558 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.856 -1.750 9.211 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.659 -3.764 12.209 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.400 -5.212 12.413 1.00 0.00 C ATOM 1118 C ALA A 79 -17.291 -5.768 11.458 1.00 0.00 C ATOM 1119 O ALA A 79 -17.551 -6.434 10.452 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.763 -5.922 12.293 1.00 0.00 C ATOM 0 H ALA A 79 -19.478 -3.569 11.634 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.981 -5.403 13.401 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.629 -6.994 12.436 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.442 -5.537 13.054 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.184 -5.737 11.305 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.031 -5.467 11.812 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.833 -5.867 11.034 1.00 0.00 C ATOM 1128 C PHE A 80 -13.682 -6.199 12.036 1.00 0.00 C ATOM 1129 O PHE A 80 -13.359 -5.403 12.924 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.471 -4.723 10.039 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.384 -5.092 9.017 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.704 -5.910 7.928 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.058 -4.683 9.203 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.707 -6.340 7.058 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.064 -5.108 8.325 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.386 -5.950 7.264 1.00 0.00 C ATOM 0 H PHE A 80 -15.807 -4.935 12.653 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.016 -6.761 10.438 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.372 -4.426 9.502 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.138 -3.855 10.608 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.729 -6.209 7.762 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.805 -4.036 10.030 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.958 -6.977 6.222 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.043 -4.784 8.467 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.610 -6.301 6.600 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.042 -7.369 11.878 1.00 0.00 N ATOM 1147 CA ALA A 81 -11.901 -7.779 12.740 1.00 0.00 C ATOM 1148 C ALA A 81 -10.546 -7.089 12.380 1.00 0.00 C ATOM 1149 O ALA A 81 -10.000 -6.361 13.215 1.00 0.00 O ATOM 1150 CB ALA A 81 -11.852 -9.321 12.732 1.00 0.00 C ATOM 0 H ALA A 81 -13.289 -8.054 11.164 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.066 -7.426 13.758 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.025 -9.662 13.355 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.789 -9.717 13.124 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.707 -9.675 11.711 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.009 -7.303 11.164 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.716 -6.698 10.761 1.00 0.00 C ATOM 1158 C GLY A 82 -8.114 -7.207 9.433 1.00 0.00 C ATOM 1159 O GLY A 82 -8.335 -8.342 9.001 1.00 0.00 O ATOM 0 H GLY A 82 -10.442 -7.884 10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.850 -5.619 10.686 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.992 -6.874 11.556 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.273 -6.359 8.831 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.363 -6.744 7.719 1.00 0.00 C ATOM 1165 C LEU A 83 -4.916 -6.950 8.305 1.00 0.00 C ATOM 1166 O LEU A 83 -4.219 -5.945 8.504 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.391 -5.640 6.620 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.689 -5.439 5.797 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.534 -4.239 4.846 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.080 -6.681 4.977 1.00 0.00 C ATOM 0 H LEU A 83 -7.196 -5.377 9.095 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.686 -7.677 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.154 -4.690 7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.585 -5.852 5.918 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.485 -5.256 6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.452 -4.108 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.336 -3.338 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.703 -4.420 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.996 -6.478 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.279 -6.922 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.242 -7.524 5.649 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.407 -8.184 8.614 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.108 -8.364 9.334 1.00 0.00 C ATOM 1184 C PRO A 84 -1.789 -8.018 8.568 1.00 0.00 C ATOM 1185 O PRO A 84 -0.875 -7.452 9.175 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.196 -9.828 9.813 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.130 -10.523 8.821 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.156 -9.450 8.456 1.00 0.00 C ATOM 0 HA PRO A 84 -3.009 -7.629 10.133 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.213 -10.298 9.823 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.587 -9.886 10.829 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.589 -10.872 7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.608 -11.395 9.268 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.521 -9.575 7.437 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.025 -9.486 9.113 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.693 -8.304 7.257 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.546 -7.878 6.413 1.00 0.00 C ATOM 1198 C LYS A 85 -0.705 -6.391 5.980 1.00 0.00 C ATOM 1199 O LYS A 85 -1.674 -6.004 5.315 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.447 -8.796 5.163 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.098 -10.276 5.442 1.00 0.00 C ATOM 1202 CD LYS A 85 0.067 -11.092 4.146 1.00 0.00 C ATOM 1203 CE LYS A 85 0.420 -12.560 4.425 1.00 0.00 C ATOM 1204 NZ LYS A 85 0.582 -13.288 3.151 1.00 0.00 N ATOM 0 H LYS A 85 -2.401 -8.834 6.749 1.00 0.00 H new ATOM 0 HA LYS A 85 0.371 -7.966 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.399 -8.760 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.307 -8.385 4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.824 -10.327 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.882 -10.723 6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.857 -11.046 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.848 -10.643 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.340 -12.618 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.364 -13.025 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.821 -14.281 3.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.306 -13.245 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.346 -12.851 2.596 1.00 0.00 H new ATOM 1217 N ILE A 86 0.302 -5.571 6.318 1.00 0.00 N ATOM 1218 CA ILE A 86 0.409 -4.167 5.817 1.00 0.00 C ATOM 1219 C ILE A 86 0.421 -3.977 4.260 1.00 0.00 C ATOM 1220 O ILE A 86 -0.153 -2.994 3.791 1.00 0.00 O ATOM 1221 CB ILE A 86 1.554 -3.405 6.547 1.00 0.00 C ATOM 1222 CG1 ILE A 86 1.457 -1.867 6.308 1.00 0.00 C ATOM 1223 CG2 ILE A 86 2.968 -3.951 6.224 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.923 -1.015 7.487 1.00 0.00 C ATOM 0 H ILE A 86 1.064 -5.846 6.938 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.540 -3.702 6.084 1.00 0.00 H new ATOM 0 HB ILE A 86 1.407 -3.590 7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.052 -1.609 5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.423 -1.612 6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.715 -3.372 6.768 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.031 -4.997 6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.154 -3.868 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.822 0.041 7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.313 -1.240 8.362 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.967 -1.237 7.706 1.00 0.00 H new ATOM 1236 N GLU A 87 0.994 -4.905 3.465 1.00 0.00 N ATOM 1237 CA GLU A 87 0.810 -4.935 1.989 1.00 0.00 C ATOM 1238 C GLU A 87 -0.682 -4.891 1.496 1.00 0.00 C ATOM 1239 O GLU A 87 -1.009 -4.054 0.655 1.00 0.00 O ATOM 1240 CB GLU A 87 1.605 -6.145 1.403 1.00 0.00 C ATOM 1241 CG GLU A 87 2.433 -5.821 0.137 1.00 0.00 C ATOM 1242 CD GLU A 87 1.631 -5.386 -1.091 1.00 0.00 C ATOM 1243 OE1 GLU A 87 1.185 -6.163 -1.929 1.00 0.00 O ATOM 1244 OE2 GLU A 87 1.435 -4.037 -1.123 1.00 0.00 O ATOM 0 H GLU A 87 1.593 -5.651 3.819 1.00 0.00 H new ATOM 0 HA GLU A 87 1.217 -4.002 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.276 -6.528 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.902 -6.944 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.142 -5.031 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.017 -6.703 -0.128 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.598 -5.705 2.068 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.072 -5.540 1.858 1.00 0.00 C ATOM 1253 C ASP A 88 -3.681 -4.173 2.338 1.00 0.00 C ATOM 1254 O ASP A 88 -4.501 -3.591 1.621 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.821 -6.740 2.501 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.601 -8.090 1.814 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -3.806 -8.291 0.622 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -3.160 -9.048 2.675 1.00 0.00 O ATOM 0 H ASP A 88 -1.353 -6.484 2.679 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.216 -5.524 0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.510 -6.826 3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.889 -6.522 2.504 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.262 -3.649 3.509 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.609 -2.269 3.974 1.00 0.00 C ATOM 1265 C ARG A 89 -3.143 -1.124 3.010 1.00 0.00 C ATOM 1266 O ARG A 89 -3.972 -0.337 2.547 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.094 -2.032 5.431 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.487 -3.103 6.480 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.512 -2.649 7.948 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.144 -2.481 8.516 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.469 -3.406 9.194 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.826 -4.661 9.276 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.394 -3.032 9.817 1.00 0.00 N ATOM 0 H ARG A 89 -2.674 -4.162 4.166 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.698 -2.218 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.007 -1.963 5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.466 -1.066 5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.475 -3.484 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.791 -3.937 6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.052 -1.705 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.061 -3.380 8.542 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.687 -1.581 8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.670 -4.983 8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.261 -5.318 9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.094 -2.058 9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.151 -3.712 10.348 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.840 -1.059 2.680 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.286 -0.123 1.671 1.00 0.00 C ATOM 1289 C ALA A 90 -1.760 -0.295 0.187 1.00 0.00 C ATOM 1290 O ALA A 90 -1.964 0.717 -0.485 1.00 0.00 O ATOM 1291 CB ALA A 90 0.238 -0.228 1.820 1.00 0.00 C ATOM 0 H ALA A 90 -1.132 -1.657 3.107 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.676 0.873 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.720 0.438 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.525 0.058 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.552 -1.254 1.630 1.00 0.00 H new ATOM 1297 N ASN A 91 -2.014 -1.523 -0.319 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.797 -1.742 -1.575 1.00 0.00 C ATOM 1299 C ASN A 91 -4.234 -1.119 -1.561 1.00 0.00 C ATOM 1300 O ASN A 91 -4.571 -0.356 -2.472 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.862 -3.257 -1.920 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.571 -3.955 -2.357 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.519 -3.367 -2.594 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.612 -5.261 -2.464 1.00 0.00 N ATOM 0 H ASN A 91 -1.690 -2.386 0.119 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.255 -1.207 -2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.244 -3.782 -1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.596 -3.386 -2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.777 -5.776 -2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.479 -5.762 -2.270 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.063 -1.398 -0.531 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.364 -0.696 -0.327 1.00 0.00 C ATOM 1313 C LEU A 92 -6.265 0.858 -0.161 1.00 0.00 C ATOM 1314 O LEU A 92 -7.051 1.577 -0.778 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.122 -1.408 0.828 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.627 -1.039 0.969 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.443 -2.214 1.519 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.854 0.167 1.893 1.00 0.00 C ATOM 0 H LEU A 92 -4.860 -2.104 0.177 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.942 -0.778 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.042 -2.485 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.619 -1.175 1.767 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.959 -0.786 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.490 -1.922 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.358 -3.064 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.063 -2.493 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.921 0.381 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.470 -0.059 2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.332 1.036 1.492 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.314 1.385 0.628 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.074 2.856 0.765 1.00 0.00 C ATOM 1332 C ILE A 93 -4.479 3.534 -0.533 1.00 0.00 C ATOM 1333 O ILE A 93 -4.801 4.696 -0.799 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.295 3.086 2.111 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -5.135 2.682 3.369 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.792 4.540 2.299 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.325 2.452 4.654 1.00 0.00 C ATOM 0 H ILE A 93 -4.684 0.816 1.193 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.018 3.396 0.840 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.427 2.432 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.872 3.462 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.687 1.771 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.264 4.622 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.116 4.799 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.642 5.222 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.999 2.177 5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.606 1.649 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.794 3.367 4.918 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.671 2.853 -1.372 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.452 3.245 -2.795 1.00 0.00 C ATOM 1351 C ALA A 94 -4.736 3.281 -3.699 1.00 0.00 C ATOM 1352 O ALA A 94 -4.939 4.261 -4.421 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.358 2.314 -3.354 1.00 0.00 C ATOM 0 H ALA A 94 -3.152 2.021 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.137 4.288 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.164 2.565 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.443 2.439 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.692 1.279 -3.286 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.628 2.271 -3.623 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.003 2.349 -4.201 1.00 0.00 C ATOM 1361 C TYR A 95 -7.921 3.495 -3.642 1.00 0.00 C ATOM 1362 O TYR A 95 -8.525 4.204 -4.448 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.626 0.928 -4.104 1.00 0.00 C ATOM 1364 CG TYR A 95 -8.999 0.735 -4.768 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.140 0.841 -6.157 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.117 0.427 -3.986 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.386 0.658 -6.751 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.357 0.228 -4.586 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.492 0.347 -5.966 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.706 0.138 -6.562 1.00 0.00 O ATOM 0 H TYR A 95 -5.426 1.382 -3.165 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.920 2.656 -5.244 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.929 0.218 -4.549 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.717 0.666 -3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.279 1.065 -6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.018 0.343 -2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.494 0.757 -7.821 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.216 -0.019 -3.980 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.312 -0.298 -5.927 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.004 3.723 -2.317 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.666 4.936 -1.738 1.00 0.00 C ATOM 1382 C LEU A 96 -8.044 6.324 -2.132 1.00 0.00 C ATOM 1383 O LEU A 96 -8.795 7.287 -2.282 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.780 4.810 -0.193 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.640 3.662 0.400 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.496 3.653 1.934 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -11.127 3.780 0.022 1.00 0.00 C ATOM 0 H LEU A 96 -7.623 3.088 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.654 4.945 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.771 4.707 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.178 5.751 0.187 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.272 2.728 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.100 2.847 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.450 3.499 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.836 4.607 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.681 2.952 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.524 4.723 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.230 3.749 -1.063 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.716 6.438 -2.331 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.083 7.602 -3.029 1.00 0.00 C ATOM 1401 C GLU A 97 -6.460 7.780 -4.544 1.00 0.00 C ATOM 1402 O GLU A 97 -6.642 8.915 -4.987 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.548 7.509 -2.822 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.084 7.788 -1.370 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.644 7.386 -1.084 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.536 6.049 -0.827 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.704 8.175 -1.075 1.00 0.00 O ATOM 0 H GLU A 97 -6.045 5.736 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.490 8.505 -2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.213 6.513 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.059 8.218 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.200 8.852 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.741 7.255 -0.682 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.629 6.695 -5.328 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.390 6.749 -6.613 1.00 0.00 C ATOM 1416 C GLY A 98 -8.897 7.127 -6.541 1.00 0.00 C ATOM 1417 O GLY A 98 -9.366 7.936 -7.343 1.00 0.00 O ATOM 0 H GLY A 98 -6.255 5.773 -5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.894 7.466 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.311 5.773 -7.092 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.647 6.562 -5.583 1.00 0.00 N ATOM 1422 CA GLN A 99 -11.056 6.959 -5.281 1.00 0.00 C ATOM 1423 C GLN A 99 -11.157 8.154 -4.258 1.00 0.00 C ATOM 1424 O GLN A 99 -11.821 8.062 -3.219 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.794 5.684 -4.766 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.868 4.431 -5.683 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.744 4.577 -6.928 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.943 4.322 -6.914 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -12.182 4.988 -8.040 1.00 0.00 N ATOM 0 H GLN A 99 -9.303 5.811 -4.985 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.529 7.337 -6.187 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.316 5.381 -3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.816 5.973 -4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.857 4.174 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.241 3.593 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.185 5.202 -8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.742 5.094 -8.886 1.00 0.00 H new ATOM 1438 N GLN A 100 -10.502 9.282 -4.572 1.00 0.00 N ATOM 1439 CA GLN A 100 -10.367 10.442 -3.649 1.00 0.00 C ATOM 1440 C GLN A 100 -11.067 11.694 -4.238 1.00 0.00 C ATOM 1441 O GLN A 100 -12.125 12.092 -3.698 1.00 0.00 O ATOM 1442 CB GLN A 100 -8.862 10.641 -3.330 1.00 0.00 C ATOM 1443 CG GLN A 100 -8.554 11.586 -2.140 1.00 0.00 C ATOM 1444 CD GLN A 100 -7.067 11.719 -1.771 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -6.163 11.078 -2.299 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -6.754 12.548 -0.808 1.00 0.00 N ATOM 1447 OXT GLN A 100 -10.566 12.293 -5.219 1.00 0.00 O ATOM 0 H GLN A 100 -10.046 9.425 -5.473 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.877 10.256 -2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.420 9.667 -3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.368 11.032 -4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.943 12.577 -2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.098 11.230 -1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.482 13.095 -0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.782 12.647 -0.516 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.303 0.010 7.438 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.778 2.956 9.139 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.412 1.608 6.358 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.367 -2.886 6.201 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.116 -1.247 8.238 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.279 1.700 7.812 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.633 2.784 8.476 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.790 3.851 8.444 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.794 3.440 7.680 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.179 2.201 7.275 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.547 4.280 7.327 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.879 5.271 9.066 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.523 6.288 8.095 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.715 7.728 8.596 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.574 8.006 9.810 1.00 0.00 O HETATM 1472 O2A HEC A 101 -16.015 8.603 7.753 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.785 -0.461 6.455 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.688 0.252 5.892 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.897 -0.472 5.006 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.352 -1.772 5.065 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.453 -1.752 5.946 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.786 0.051 4.086 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.848 -2.968 4.223 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.445 -3.435 4.642 1.00 0.00 C HETATM 1481 NC HEC A 101 -16.970 -1.732 7.451 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.540 -2.790 6.841 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.413 -3.824 6.816 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.536 -3.335 7.345 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.200 -2.068 7.697 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.272 -5.254 6.267 1.00 0.00 C HETATM 1487 CAC HEC A 101 -19.923 -4.044 7.351 1.00 0.00 C HETATM 1488 CBC HEC A 101 -19.980 -5.384 8.102 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.704 0.798 8.306 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.904 0.153 8.647 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.733 0.879 9.517 1.00 0.00 C HETATM 1492 C3D HEC A 101 -19.064 2.051 9.801 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.862 1.973 9.088 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.088 0.425 10.070 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.564 3.192 10.712 1.00 0.00 C HETATM 1496 CBD HEC A 101 -18.986 3.133 12.144 1.00 0.00 C HETATM 1497 CGD HEC A 101 -19.530 4.168 13.138 1.00 0.00 C HETATM 1498 O1D HEC A 101 -19.455 3.906 14.360 1.00 0.00 O HETATM 1499 O2D HEC A 101 -20.037 5.234 12.727 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.776 0.245 9.244 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -20.958 -0.494 10.641 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.495 1.201 10.719 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.059 -5.214 5.199 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.456 -5.762 6.781 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.201 -5.800 6.432 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.200 0.787 3.397 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -11.004 0.516 4.687 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.363 -0.778 3.519 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.855 5.187 6.807 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -12.018 4.548 8.242 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.887 3.699 6.683 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -19.174 2.138 12.548 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -17.904 3.253 12.082 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.279 -6.085 7.649 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -19.712 -5.227 9.147 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -20.990 -5.791 8.044 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.737 -2.616 4.518 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.462 -3.745 5.687 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.140 -4.276 4.019 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -14.912 6.325 7.193 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -16.499 5.901 7.803 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -19.301 4.149 10.261 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.652 3.154 10.766 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.462 5.228 9.986 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.880 5.611 9.338 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.115 -1.657 8.389 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.065 -3.870 5.843 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.559 2.149 5.947 1.00 0.00 H new HETATM 0 HHA HEC A 101 -16.911 3.857 9.738 1.00 0.00 H new HETATM 0 H2D HEC A 101 -19.760 5.973 13.308 1.00 0.00 H new HETATM 0 H2A HEC A 101 -16.109 9.470 8.201 1.00 0.00 H new