USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=14 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 151:sc= 1.25 USER MOD Set 1.2: A 50 MET CE :methyl 162:sc= -0.0262 (180deg=-0.13) USER MOD Set 1.3: A 76 THR OG1 : rot 51:sc= 0.538 USER MOD Set 1.4: A 101 HEC O2D : rot -134:sc= 0.54 USER MOD Set 2.1: A 95 TYR OH : rot -80:sc= 1.3 USER MOD Set 2.2: A 99 GLN : amide:sc= 1.06 K(o=2.4,f=-0.82) USER MOD Set 3.1: A 46 TYR OH : rot -120:sc= 0 USER MOD Set 3.2: A 101 HEC O2A : rot -79:sc= 0.604 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+ -145:sc= 0.1 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= 0.042 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.4 X(o=0.4,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.917 K(o=0.92,f=-2.8!) USER MOD Single : A 31 ASN : amide:sc= 0.5 K(o=0.5,f=-5.9!) USER MOD Single : A 37 THR OG1 : rot -43:sc= 1.27 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0.2 K(o=0.2,f=-0.97) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.798 K(o=0.8,f=-7.4!) USER MOD Single : A 67 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 68 ASN : amide:sc= 0.29 K(o=0.29,f=-3.5!) 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+ -171:sc= 0.594 (180deg=0.545) 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= 0.916 K(o=0.92,f=-4.7!) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.249 -3.295 -2.846 1.00 0.00 N ATOM 2 CA MET A 1 3.366 -3.287 -1.640 1.00 0.00 C ATOM 3 C MET A 1 2.233 -2.207 -1.597 1.00 0.00 C ATOM 4 O MET A 1 1.321 -2.346 -0.778 1.00 0.00 O ATOM 5 CB MET A 1 4.237 -3.261 -0.352 1.00 0.00 C ATOM 6 CG MET A 1 5.072 -4.531 -0.083 1.00 0.00 C ATOM 7 SD MET A 1 5.841 -4.415 1.543 1.00 0.00 S ATOM 8 CE MET A 1 6.640 -6.027 1.613 1.00 0.00 C ATOM 0 H1 MET A 1 4.955 -4.053 -2.754 1.00 0.00 H new ATOM 0 H2 MET A 1 3.674 -3.459 -3.697 1.00 0.00 H new ATOM 0 H3 MET A 1 4.733 -2.378 -2.928 1.00 0.00 H new ATOM 0 HA MET A 1 2.800 -4.216 -1.705 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.914 -2.409 -0.411 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.583 -3.090 0.503 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.436 -5.414 -0.133 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.837 -4.645 -0.851 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.169 -6.130 2.560 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.887 -6.810 1.531 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.349 -6.118 0.790 1.00 0.00 H new ATOM 19 N ALA A 2 2.263 -1.165 -2.447 1.00 0.00 N ATOM 20 CA ALA A 2 1.140 -0.198 -2.609 1.00 0.00 C ATOM 21 C ALA A 2 0.515 -0.265 -4.045 1.00 0.00 C ATOM 22 O ALA A 2 0.668 0.641 -4.869 1.00 0.00 O ATOM 23 CB ALA A 2 1.696 1.185 -2.214 1.00 0.00 C ATOM 0 H ALA A 2 3.063 -0.961 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 2 0.298 -0.440 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.911 1.935 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.041 1.157 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.530 1.442 -2.867 1.00 0.00 H new ATOM 29 N ASP A 3 -0.206 -1.363 -4.334 1.00 0.00 N ATOM 30 CA ASP A 3 -0.752 -1.664 -5.682 1.00 0.00 C ATOM 31 C ASP A 3 -2.310 -1.460 -5.714 1.00 0.00 C ATOM 32 O ASP A 3 -3.011 -2.334 -5.187 1.00 0.00 O ATOM 33 CB ASP A 3 -0.302 -3.118 -6.012 1.00 0.00 C ATOM 34 CG ASP A 3 -0.666 -3.619 -7.404 1.00 0.00 C ATOM 35 OD1 ASP A 3 -2.015 -3.731 -7.542 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.150 -3.885 -8.279 1.00 0.00 O ATOM 0 H ASP A 3 -0.431 -2.075 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.374 -0.984 -6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.780 -3.180 -5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.742 -3.791 -5.276 1.00 0.00 H new ATOM 41 N PRO A 4 -2.906 -0.439 -6.399 1.00 0.00 N ATOM 42 CA PRO A 4 -4.384 -0.247 -6.426 1.00 0.00 C ATOM 43 C PRO A 4 -5.272 -1.296 -7.176 1.00 0.00 C ATOM 44 O PRO A 4 -6.414 -1.506 -6.764 1.00 0.00 O ATOM 45 CB PRO A 4 -4.529 1.192 -6.950 1.00 0.00 C ATOM 46 CG PRO A 4 -3.225 1.568 -7.645 1.00 0.00 C ATOM 47 CD PRO A 4 -2.156 0.605 -7.124 1.00 0.00 C ATOM 0 HA PRO A 4 -4.794 -0.417 -5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.366 1.263 -7.644 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.736 1.879 -6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.326 1.486 -8.727 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.954 2.601 -7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.576 0.178 -7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.452 1.115 -6.466 1.00 0.00 H new ATOM 55 N ALA A 5 -4.765 -1.989 -8.215 1.00 0.00 N ATOM 56 CA ALA A 5 -5.442 -3.180 -8.808 1.00 0.00 C ATOM 57 C ALA A 5 -5.647 -4.393 -7.834 1.00 0.00 C ATOM 58 O ALA A 5 -6.780 -4.852 -7.664 1.00 0.00 O ATOM 59 CB ALA A 5 -4.663 -3.551 -10.085 1.00 0.00 C ATOM 0 H ALA A 5 -3.884 -1.749 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.472 -2.912 -9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.125 -4.420 -10.553 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.682 -2.711 -10.780 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.630 -3.784 -9.826 1.00 0.00 H new ATOM 65 N ALA A 6 -4.592 -4.848 -7.124 1.00 0.00 N ATOM 66 CA ALA A 6 -4.746 -5.695 -5.906 1.00 0.00 C ATOM 67 C ALA A 6 -5.602 -5.090 -4.737 1.00 0.00 C ATOM 68 O ALA A 6 -6.411 -5.805 -4.141 1.00 0.00 O ATOM 69 CB ALA A 6 -3.332 -6.093 -5.445 1.00 0.00 C ATOM 0 H ALA A 6 -3.622 -4.647 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.341 -6.563 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.402 -6.716 -4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.834 -6.650 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.758 -5.195 -5.217 1.00 0.00 H new ATOM 75 N GLY A 7 -5.488 -3.778 -4.454 1.00 0.00 N ATOM 76 CA GLY A 7 -6.453 -3.038 -3.594 1.00 0.00 C ATOM 77 C GLY A 7 -7.964 -3.108 -3.911 1.00 0.00 C ATOM 78 O GLY A 7 -8.759 -3.187 -2.977 1.00 0.00 O ATOM 0 H GLY A 7 -4.730 -3.196 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.317 -3.391 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.164 -1.987 -3.609 1.00 0.00 H new ATOM 82 N GLU A 8 -8.359 -3.119 -5.194 1.00 0.00 N ATOM 83 CA GLU A 8 -9.757 -3.424 -5.620 1.00 0.00 C ATOM 84 C GLU A 8 -10.310 -4.827 -5.208 1.00 0.00 C ATOM 85 O GLU A 8 -11.473 -4.908 -4.800 1.00 0.00 O ATOM 86 CB GLU A 8 -9.854 -3.182 -7.151 1.00 0.00 C ATOM 87 CG GLU A 8 -11.290 -3.068 -7.733 1.00 0.00 C ATOM 88 CD GLU A 8 -11.902 -4.360 -8.284 1.00 0.00 C ATOM 89 OE1 GLU A 8 -12.458 -5.147 -7.313 1.00 0.00 O ATOM 90 OE2 GLU A 8 -11.899 -4.642 -9.479 1.00 0.00 O ATOM 0 H GLU A 8 -7.730 -2.919 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.412 -2.748 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.313 -2.266 -7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.340 -3.997 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.946 -2.684 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.278 -2.327 -8.532 1.00 0.00 H new ATOM 97 N LYS A 9 -9.523 -5.912 -5.335 1.00 0.00 N ATOM 98 CA LYS A 9 -9.878 -7.238 -4.738 1.00 0.00 C ATOM 99 C LYS A 9 -9.828 -7.324 -3.171 1.00 0.00 C ATOM 100 O LYS A 9 -10.724 -7.937 -2.586 1.00 0.00 O ATOM 101 CB LYS A 9 -9.167 -8.410 -5.467 1.00 0.00 C ATOM 102 CG LYS A 9 -7.630 -8.476 -5.370 1.00 0.00 C ATOM 103 CD LYS A 9 -7.044 -9.756 -5.997 1.00 0.00 C ATOM 104 CE LYS A 9 -5.510 -9.796 -5.905 1.00 0.00 C ATOM 105 NZ LYS A 9 -4.997 -11.059 -6.468 1.00 0.00 N ATOM 0 H LYS A 9 -8.638 -5.909 -5.842 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.945 -7.350 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.570 -9.344 -5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.436 -8.364 -6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.202 -7.605 -5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.334 -8.423 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.460 -10.629 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.346 -9.818 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.084 -8.950 -6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.198 -9.700 -4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.959 -11.073 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.390 -11.861 -5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.279 -11.134 -7.466 1.00 0.00 H new ATOM 118 N VAL A 10 -8.874 -6.661 -2.477 1.00 0.00 N ATOM 119 CA VAL A 10 -8.969 -6.405 -0.994 1.00 0.00 C ATOM 120 C VAL A 10 -10.254 -5.581 -0.585 1.00 0.00 C ATOM 121 O VAL A 10 -10.937 -5.955 0.373 1.00 0.00 O ATOM 122 CB VAL A 10 -7.637 -5.795 -0.416 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.638 -5.664 1.128 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.352 -6.591 -0.753 1.00 0.00 C ATOM 0 H VAL A 10 -8.027 -6.289 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.095 -7.380 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.617 -4.822 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.691 -5.237 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.456 -5.014 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.768 -6.649 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.489 -6.092 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.433 -7.601 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.228 -6.641 -1.835 1.00 0.00 H new ATOM 134 N PHE A 11 -10.627 -4.520 -1.336 1.00 0.00 N ATOM 135 CA PHE A 11 -11.958 -3.849 -1.226 1.00 0.00 C ATOM 136 C PHE A 11 -13.239 -4.733 -1.487 1.00 0.00 C ATOM 137 O PHE A 11 -14.327 -4.333 -1.068 1.00 0.00 O ATOM 138 CB PHE A 11 -11.904 -2.570 -2.117 1.00 0.00 C ATOM 139 CG PHE A 11 -12.918 -1.472 -1.751 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.210 -1.494 -2.288 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.570 -0.460 -0.850 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.155 -0.553 -1.889 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.511 0.495 -0.470 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.807 0.438 -0.978 1.00 0.00 C ATOM 0 H PHE A 11 -10.019 -4.099 -2.038 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.105 -3.604 -0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.900 -2.149 -2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.068 -2.862 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.476 -2.246 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.569 -0.419 -0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.158 -0.593 -2.287 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.235 1.280 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.542 1.164 -0.664 1.00 0.00 H new ATOM 154 N GLY A 12 -13.132 -5.951 -2.063 1.00 0.00 N ATOM 155 CA GLY A 12 -14.153 -7.030 -1.910 1.00 0.00 C ATOM 156 C GLY A 12 -14.783 -7.286 -0.510 1.00 0.00 C ATOM 157 O GLY A 12 -15.999 -7.455 -0.405 1.00 0.00 O ATOM 0 H GLY A 12 -12.340 -6.221 -2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.967 -6.812 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.696 -7.963 -2.240 1.00 0.00 H new ATOM 161 N LYS A 13 -13.966 -7.250 0.557 1.00 0.00 N ATOM 162 CA LYS A 13 -14.462 -7.167 1.967 1.00 0.00 C ATOM 163 C LYS A 13 -15.267 -5.879 2.367 1.00 0.00 C ATOM 164 O LYS A 13 -16.199 -5.958 3.170 1.00 0.00 O ATOM 165 CB LYS A 13 -13.246 -7.358 2.919 1.00 0.00 C ATOM 166 CG LYS A 13 -12.606 -8.767 2.928 1.00 0.00 C ATOM 167 CD LYS A 13 -11.312 -8.817 3.763 1.00 0.00 C ATOM 168 CE LYS A 13 -10.695 -10.223 3.794 1.00 0.00 C ATOM 169 NZ LYS A 13 -9.435 -10.206 4.563 1.00 0.00 N ATOM 0 H LYS A 13 -12.949 -7.277 0.482 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.204 -7.960 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.479 -6.634 2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.563 -7.118 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.321 -9.486 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.387 -9.071 1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.588 -8.114 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.526 -8.494 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.396 -10.926 4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.505 -10.568 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.025 -11.162 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.764 -9.549 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.627 -9.896 5.537 1.00 0.00 H new ATOM 182 N CYS A 14 -14.894 -4.712 1.828 1.00 0.00 N ATOM 183 CA CYS A 14 -15.572 -3.415 2.098 1.00 0.00 C ATOM 184 C CYS A 14 -16.896 -3.165 1.297 1.00 0.00 C ATOM 185 O CYS A 14 -17.874 -2.696 1.886 1.00 0.00 O ATOM 186 CB CYS A 14 -14.554 -2.275 1.858 1.00 0.00 C ATOM 187 SG CYS A 14 -12.839 -2.669 2.308 1.00 0.00 S ATOM 0 H CYS A 14 -14.107 -4.629 1.185 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.902 -3.445 3.137 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.583 -1.999 0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.871 -1.400 2.426 1.00 0.00 H new ATOM 192 N LYS A 15 -16.935 -3.465 -0.022 1.00 0.00 N ATOM 193 CA LYS A 15 -18.125 -3.226 -0.899 1.00 0.00 C ATOM 194 C LYS A 15 -19.505 -3.868 -0.525 1.00 0.00 C ATOM 195 O LYS A 15 -20.541 -3.323 -0.912 1.00 0.00 O ATOM 196 CB LYS A 15 -17.740 -3.476 -2.383 1.00 0.00 C ATOM 197 CG LYS A 15 -17.391 -4.928 -2.793 1.00 0.00 C ATOM 198 CD LYS A 15 -17.035 -5.112 -4.285 1.00 0.00 C ATOM 199 CE LYS A 15 -15.730 -4.421 -4.721 1.00 0.00 C ATOM 200 NZ LYS A 15 -15.415 -4.741 -6.125 1.00 0.00 N ATOM 0 H LYS A 15 -16.146 -3.880 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.358 -2.178 -0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.568 -3.139 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.884 -2.844 -2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.550 -5.269 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.238 -5.572 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.955 -6.178 -4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.855 -4.727 -4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.827 -3.342 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.911 -4.741 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.384 -4.814 -6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.858 -5.646 -6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.781 -3.989 -6.743 1.00 0.00 H new ATOM 213 N ALA A 16 -19.538 -4.963 0.258 1.00 0.00 N ATOM 214 CA ALA A 16 -20.773 -5.415 0.959 1.00 0.00 C ATOM 215 C ALA A 16 -21.458 -4.391 1.935 1.00 0.00 C ATOM 216 O ALA A 16 -22.690 -4.342 1.987 1.00 0.00 O ATOM 217 CB ALA A 16 -20.402 -6.728 1.677 1.00 0.00 C ATOM 0 H ALA A 16 -18.726 -5.557 0.426 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.549 -5.541 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.272 -7.109 2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.076 -7.465 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.595 -6.540 2.385 1.00 0.00 H new ATOM 223 N CYS A 17 -20.682 -3.585 2.686 1.00 0.00 N ATOM 224 CA CYS A 17 -21.218 -2.478 3.524 1.00 0.00 C ATOM 225 C CYS A 17 -21.093 -1.025 2.933 1.00 0.00 C ATOM 226 O CYS A 17 -21.965 -0.193 3.202 1.00 0.00 O ATOM 227 CB CYS A 17 -20.509 -2.564 4.891 1.00 0.00 C ATOM 228 SG CYS A 17 -20.618 -4.217 5.648 1.00 0.00 S ATOM 0 H CYS A 17 -19.667 -3.677 2.733 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.296 -2.626 3.587 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.460 -2.296 4.767 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.948 -1.831 5.568 1.00 0.00 H new ATOM 233 N HIS A 18 -20.004 -0.699 2.205 1.00 0.00 N ATOM 234 CA HIS A 18 -19.617 0.685 1.831 1.00 0.00 C ATOM 235 C HIS A 18 -19.631 0.883 0.285 1.00 0.00 C ATOM 236 O HIS A 18 -19.031 0.110 -0.469 1.00 0.00 O ATOM 237 CB HIS A 18 -18.166 0.924 2.326 1.00 0.00 C ATOM 238 CG HIS A 18 -18.004 1.193 3.814 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.983 2.463 4.325 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.541 0.286 4.769 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.415 2.245 5.536 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.201 0.938 5.961 1.00 0.00 N ATOM 0 H HIS A 18 -19.354 -1.402 1.852 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.327 1.379 2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.567 0.051 2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.751 1.769 1.777 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.307 3.336 3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.456 -0.779 4.610 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.132 3.077 6.164 1.00 0.00 H new ATOM 250 N LYS A 19 -20.241 1.981 -0.178 1.00 0.00 N ATOM 251 CA LYS A 19 -20.280 2.328 -1.627 1.00 0.00 C ATOM 252 C LYS A 19 -19.162 3.346 -2.039 1.00 0.00 C ATOM 253 O LYS A 19 -18.933 4.359 -1.369 1.00 0.00 O ATOM 254 CB LYS A 19 -21.697 2.874 -1.975 1.00 0.00 C ATOM 255 CG LYS A 19 -22.113 2.707 -3.460 1.00 0.00 C ATOM 256 CD LYS A 19 -22.777 1.349 -3.764 1.00 0.00 C ATOM 257 CE LYS A 19 -23.170 1.155 -5.239 1.00 0.00 C ATOM 258 NZ LYS A 19 -22.004 0.918 -6.115 1.00 0.00 N ATOM 0 H LYS A 19 -20.719 2.654 0.422 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.079 1.423 -2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.430 2.367 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.736 3.933 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.802 3.508 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.231 2.821 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.094 0.550 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.669 1.247 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.857 0.312 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -23.707 2.038 -5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.284 0.307 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.656 1.826 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.249 0.454 -5.570 1.00 0.00 H new ATOM 271 N LEU A 20 -18.526 3.118 -3.201 1.00 0.00 N ATOM 272 CA LEU A 20 -17.672 4.149 -3.879 1.00 0.00 C ATOM 273 C LEU A 20 -18.405 5.147 -4.851 1.00 0.00 C ATOM 274 O LEU A 20 -17.740 5.997 -5.449 1.00 0.00 O ATOM 275 CB LEU A 20 -16.524 3.408 -4.625 1.00 0.00 C ATOM 276 CG LEU A 20 -15.478 2.665 -3.756 1.00 0.00 C ATOM 277 CD1 LEU A 20 -14.596 1.778 -4.643 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.585 3.618 -2.939 1.00 0.00 C ATOM 0 H LEU A 20 -18.578 2.232 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.306 4.800 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -16.975 2.684 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.996 4.136 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.038 2.058 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.863 1.259 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.218 1.047 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.079 2.397 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.874 3.037 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.043 4.278 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.206 4.214 -2.270 1.00 0.00 H new ATOM 290 N ASP A 21 -19.742 5.093 -5.005 1.00 0.00 N ATOM 291 CA ASP A 21 -20.515 6.040 -5.866 1.00 0.00 C ATOM 292 C ASP A 21 -21.418 7.007 -5.022 1.00 0.00 C ATOM 293 O ASP A 21 -22.620 7.138 -5.272 1.00 0.00 O ATOM 294 CB ASP A 21 -21.315 5.195 -6.901 1.00 0.00 C ATOM 295 CG ASP A 21 -20.480 4.465 -7.954 1.00 0.00 C ATOM 296 OD1 ASP A 21 -20.113 4.974 -9.007 1.00 0.00 O ATOM 297 OD2 ASP A 21 -20.190 3.184 -7.591 1.00 0.00 O ATOM 0 H ASP A 21 -20.326 4.397 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.836 6.705 -6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.907 4.457 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.017 5.853 -7.414 1.00 0.00 H new ATOM 302 N GLY A 22 -20.841 7.699 -4.020 1.00 0.00 N ATOM 303 CA GLY A 22 -21.560 8.704 -3.181 1.00 0.00 C ATOM 304 C GLY A 22 -22.819 8.310 -2.355 1.00 0.00 C ATOM 305 O GLY A 22 -23.598 9.198 -2.008 1.00 0.00 O ATOM 0 H GLY A 22 -19.861 7.583 -3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.833 9.111 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.855 9.519 -3.842 1.00 0.00 H new ATOM 309 N ASN A 23 -23.013 7.020 -2.033 1.00 0.00 N ATOM 310 CA ASN A 23 -24.229 6.513 -1.329 1.00 0.00 C ATOM 311 C ASN A 23 -23.873 5.898 0.064 1.00 0.00 C ATOM 312 O ASN A 23 -22.852 5.227 0.247 1.00 0.00 O ATOM 313 CB ASN A 23 -24.950 5.476 -2.236 1.00 0.00 C ATOM 314 CG ASN A 23 -25.856 6.065 -3.322 1.00 0.00 C ATOM 315 OD1 ASN A 23 -27.051 6.249 -3.124 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.354 6.369 -4.494 1.00 0.00 N ATOM 0 H ASN A 23 -22.336 6.288 -2.249 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.900 7.350 -1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.195 4.853 -2.716 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.549 4.821 -1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.956 6.752 -5.223 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.361 6.223 -4.677 1.00 0.00 H new ATOM 323 N ASP A 24 -24.754 6.136 1.048 1.00 0.00 N ATOM 324 CA ASP A 24 -24.498 5.816 2.481 1.00 0.00 C ATOM 325 C ASP A 24 -25.574 4.798 2.975 1.00 0.00 C ATOM 326 O ASP A 24 -26.764 5.129 3.017 1.00 0.00 O ATOM 327 CB ASP A 24 -24.538 7.153 3.277 1.00 0.00 C ATOM 328 CG ASP A 24 -23.362 8.094 3.009 1.00 0.00 C ATOM 329 OD1 ASP A 24 -23.558 8.880 1.914 1.00 0.00 O ATOM 330 OD2 ASP A 24 -22.338 8.109 3.683 1.00 0.00 O ATOM 0 H ASP A 24 -25.669 6.556 0.883 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.523 5.352 2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.465 7.675 3.037 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -24.567 6.925 4.342 1.00 0.00 H new ATOM 335 N GLY A 25 -25.168 3.560 3.318 1.00 0.00 N ATOM 336 CA GLY A 25 -26.128 2.466 3.645 1.00 0.00 C ATOM 337 C GLY A 25 -25.842 1.775 4.986 1.00 0.00 C ATOM 338 O GLY A 25 -26.224 2.283 6.042 1.00 0.00 O ATOM 0 H GLY A 25 -24.188 3.285 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.138 2.875 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.101 1.721 2.850 1.00 0.00 H new ATOM 342 N VAL A 26 -25.168 0.618 4.939 1.00 0.00 N ATOM 343 CA VAL A 26 -24.654 -0.072 6.171 1.00 0.00 C ATOM 344 C VAL A 26 -23.402 0.680 6.741 1.00 0.00 C ATOM 345 O VAL A 26 -23.440 1.120 7.891 1.00 0.00 O ATOM 346 CB VAL A 26 -24.422 -1.608 5.941 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.932 -2.356 7.206 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.666 -2.371 5.425 1.00 0.00 C ATOM 0 H VAL A 26 -24.957 0.126 4.071 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.425 -0.022 6.940 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.648 -1.611 5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.793 -3.412 6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.985 -1.930 7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.673 -2.254 7.999 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.418 -3.424 5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.476 -2.276 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.981 -1.950 4.470 1.00 0.00 H new ATOM 358 N GLY A 27 -22.330 0.855 5.945 1.00 0.00 N ATOM 359 CA GLY A 27 -21.325 1.916 6.192 1.00 0.00 C ATOM 360 C GLY A 27 -21.481 3.188 5.299 1.00 0.00 C ATOM 361 O GLY A 27 -22.225 3.160 4.308 1.00 0.00 O ATOM 0 H GLY A 27 -22.135 0.279 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.383 2.215 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.331 1.498 6.034 1.00 0.00 H new ATOM 365 N PRO A 28 -20.777 4.323 5.580 1.00 0.00 N ATOM 366 CA PRO A 28 -20.811 5.531 4.705 1.00 0.00 C ATOM 367 C PRO A 28 -20.108 5.383 3.313 1.00 0.00 C ATOM 368 O PRO A 28 -19.499 4.359 2.992 1.00 0.00 O ATOM 369 CB PRO A 28 -20.139 6.579 5.622 1.00 0.00 C ATOM 370 CG PRO A 28 -19.179 5.773 6.492 1.00 0.00 C ATOM 371 CD PRO A 28 -19.968 4.508 6.800 1.00 0.00 C ATOM 0 HA PRO A 28 -21.821 5.783 4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.608 7.332 5.040 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.876 7.105 6.228 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.250 5.550 5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.910 6.311 7.401 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.312 3.657 6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.592 4.626 7.686 1.00 0.00 H new ATOM 379 N HIS A 29 -20.162 6.432 2.478 1.00 0.00 N ATOM 380 CA HIS A 29 -19.469 6.431 1.160 1.00 0.00 C ATOM 381 C HIS A 29 -17.913 6.582 1.292 1.00 0.00 C ATOM 382 O HIS A 29 -17.426 7.559 1.872 1.00 0.00 O ATOM 383 CB HIS A 29 -20.155 7.452 0.213 1.00 0.00 C ATOM 384 CG HIS A 29 -19.983 8.953 0.470 1.00 0.00 C ATOM 385 ND1 HIS A 29 -20.962 9.763 1.031 1.00 0.00 N ATOM 386 CD2 HIS A 29 -18.895 9.724 0.031 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.346 10.982 0.882 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.104 11.059 0.313 1.00 0.00 N ATOM 0 H HIS A 29 -20.672 7.291 2.681 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.579 5.452 0.694 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.799 7.251 -0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.224 7.239 0.223 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -21.868 9.524 1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.018 9.328 -0.459 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.843 11.881 1.215 1.00 0.00 H new ATOM 396 N LEU A 30 -17.124 5.622 0.775 1.00 0.00 N ATOM 397 CA LEU A 30 -15.622 5.696 0.831 1.00 0.00 C ATOM 398 C LEU A 30 -14.893 6.466 -0.324 1.00 0.00 C ATOM 399 O LEU A 30 -13.683 6.687 -0.224 1.00 0.00 O ATOM 400 CB LEU A 30 -15.016 4.283 1.075 1.00 0.00 C ATOM 401 CG LEU A 30 -15.315 3.627 2.450 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.751 2.199 2.511 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.776 4.412 3.661 1.00 0.00 C ATOM 0 H LEU A 30 -17.482 4.786 0.314 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.423 6.342 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.380 3.616 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.934 4.351 0.958 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.403 3.624 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.973 1.761 3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.208 1.594 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.671 2.228 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.029 3.883 4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.693 4.504 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.224 5.405 3.679 1.00 0.00 H new ATOM 415 N ASN A 31 -15.602 6.957 -1.358 1.00 0.00 N ATOM 416 CA ASN A 31 -15.082 7.991 -2.297 1.00 0.00 C ATOM 417 C ASN A 31 -14.760 9.342 -1.577 1.00 0.00 C ATOM 418 O ASN A 31 -15.611 9.928 -0.896 1.00 0.00 O ATOM 419 CB ASN A 31 -16.037 8.167 -3.513 1.00 0.00 C ATOM 420 CG ASN A 31 -17.520 8.453 -3.222 1.00 0.00 C ATOM 421 OD1 ASN A 31 -18.233 7.611 -2.687 1.00 0.00 O ATOM 422 ND2 ASN A 31 -18.057 9.605 -3.546 1.00 0.00 N ATOM 0 H ASN A 31 -16.552 6.654 -1.573 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.128 7.634 -2.686 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.652 8.982 -4.126 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.982 7.261 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.043 9.781 -3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.489 10.325 -3.992 1.00 0.00 H new ATOM 429 N GLY A 32 -13.495 9.770 -1.661 1.00 0.00 N ATOM 430 CA GLY A 32 -12.990 10.935 -0.883 1.00 0.00 C ATOM 431 C GLY A 32 -12.771 10.763 0.643 1.00 0.00 C ATOM 432 O GLY A 32 -12.911 11.741 1.377 1.00 0.00 O ATOM 0 H GLY A 32 -12.792 9.334 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.041 11.241 -1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.689 11.759 -1.027 1.00 0.00 H new ATOM 436 N VAL A 33 -12.411 9.559 1.124 1.00 0.00 N ATOM 437 CA VAL A 33 -12.079 9.317 2.567 1.00 0.00 C ATOM 438 C VAL A 33 -10.633 9.728 3.030 1.00 0.00 C ATOM 439 O VAL A 33 -10.458 10.068 4.203 1.00 0.00 O ATOM 440 CB VAL A 33 -12.484 7.854 2.962 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.573 6.751 2.378 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.594 7.643 4.491 1.00 0.00 C ATOM 0 H VAL A 33 -12.338 8.725 0.542 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.685 10.020 3.139 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.469 7.749 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.930 5.774 2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.594 6.800 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.551 6.900 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.877 6.611 4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.632 7.855 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.350 8.314 4.897 1.00 0.00 H new ATOM 452 N VAL A 34 -9.603 9.689 2.161 1.00 0.00 N ATOM 453 CA VAL A 34 -8.182 9.949 2.555 1.00 0.00 C ATOM 454 C VAL A 34 -7.970 11.482 2.815 1.00 0.00 C ATOM 455 O VAL A 34 -8.113 12.309 1.909 1.00 0.00 O ATOM 456 CB VAL A 34 -7.172 9.354 1.512 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.700 9.475 1.974 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.405 7.864 1.167 1.00 0.00 C ATOM 0 H VAL A 34 -9.719 9.479 1.170 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.973 9.429 3.490 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.360 9.960 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.044 9.048 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.450 10.526 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.568 8.937 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.661 7.538 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.315 7.263 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.403 7.740 0.746 1.00 0.00 H new ATOM 468 N GLY A 35 -7.682 11.847 4.075 1.00 0.00 N ATOM 469 CA GLY A 35 -7.797 13.258 4.548 1.00 0.00 C ATOM 470 C GLY A 35 -9.156 13.753 5.115 1.00 0.00 C ATOM 471 O GLY A 35 -9.214 14.895 5.572 1.00 0.00 O ATOM 0 H GLY A 35 -7.367 11.194 4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.043 13.409 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.532 13.908 3.714 1.00 0.00 H new ATOM 475 N ARG A 36 -10.233 12.946 5.109 1.00 0.00 N ATOM 476 CA ARG A 36 -11.583 13.375 5.567 1.00 0.00 C ATOM 477 C ARG A 36 -11.743 13.264 7.113 1.00 0.00 C ATOM 478 O ARG A 36 -11.260 12.320 7.741 1.00 0.00 O ATOM 479 CB ARG A 36 -12.626 12.510 4.805 1.00 0.00 C ATOM 480 CG ARG A 36 -14.112 12.919 4.993 1.00 0.00 C ATOM 481 CD ARG A 36 -15.095 12.208 4.046 1.00 0.00 C ATOM 482 NE ARG A 36 -15.322 10.785 4.430 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.852 9.856 3.635 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.069 10.020 2.355 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.179 8.713 4.155 1.00 0.00 N ATOM 0 H ARG A 36 -10.200 11.978 4.788 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.737 14.431 5.343 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.391 12.545 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.511 11.474 5.122 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.405 12.712 6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.201 13.995 4.847 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.047 12.739 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.709 12.250 3.027 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.051 10.502 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.828 10.904 1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.479 9.264 1.806 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.028 8.543 5.149 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.587 7.984 3.569 1.00 0.00 H new ATOM 499 N THR A 37 -12.476 14.210 7.718 1.00 0.00 N ATOM 500 CA THR A 37 -12.722 14.245 9.191 1.00 0.00 C ATOM 501 C THR A 37 -13.412 12.955 9.756 1.00 0.00 C ATOM 502 O THR A 37 -14.232 12.313 9.087 1.00 0.00 O ATOM 503 CB THR A 37 -13.474 15.578 9.502 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.740 16.700 9.003 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.708 15.872 10.991 1.00 0.00 C ATOM 0 H THR A 37 -12.920 14.977 7.213 1.00 0.00 H new ATOM 0 HA THR A 37 -11.773 14.236 9.726 1.00 0.00 H new ATOM 0 HB THR A 37 -14.441 15.438 9.018 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.789 16.586 9.209 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.237 16.819 11.096 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.305 15.073 11.430 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.749 15.933 11.505 1.00 0.00 H new ATOM 513 N VAL A 38 -13.057 12.563 10.994 1.00 0.00 N ATOM 514 CA VAL A 38 -13.658 11.374 11.672 1.00 0.00 C ATOM 515 C VAL A 38 -15.143 11.697 12.079 1.00 0.00 C ATOM 516 O VAL A 38 -15.414 12.701 12.744 1.00 0.00 O ATOM 517 CB VAL A 38 -12.758 10.875 12.855 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.319 9.596 13.515 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.300 10.533 12.460 1.00 0.00 C ATOM 0 H VAL A 38 -12.356 13.047 11.555 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.698 10.532 10.981 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.763 11.727 13.534 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.662 9.288 14.329 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.315 9.797 13.909 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.376 8.799 12.774 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.754 10.197 13.341 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.302 9.741 11.711 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.817 11.420 12.049 1.00 0.00 H new ATOM 529 N ALA A 39 -16.096 10.880 11.583 1.00 0.00 N ATOM 530 CA ALA A 39 -17.539 11.260 11.452 1.00 0.00 C ATOM 531 C ALA A 39 -17.926 12.378 10.410 1.00 0.00 C ATOM 532 O ALA A 39 -19.039 12.913 10.452 1.00 0.00 O ATOM 533 CB ALA A 39 -18.208 11.451 12.832 1.00 0.00 C ATOM 0 H ALA A 39 -15.897 9.934 11.258 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.970 10.384 10.968 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.254 11.726 12.694 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.149 10.521 13.397 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.694 12.241 13.379 1.00 0.00 H new ATOM 539 N GLY A 40 -17.071 12.682 9.415 1.00 0.00 N ATOM 540 CA GLY A 40 -17.288 13.794 8.451 1.00 0.00 C ATOM 541 C GLY A 40 -18.079 13.459 7.171 1.00 0.00 C ATOM 542 O GLY A 40 -17.634 13.763 6.063 1.00 0.00 O ATOM 0 H GLY A 40 -16.206 12.166 9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.808 14.598 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.313 14.183 8.156 1.00 0.00 H new ATOM 546 N VAL A 41 -19.273 12.881 7.347 1.00 0.00 N ATOM 547 CA VAL A 41 -20.303 12.782 6.269 1.00 0.00 C ATOM 548 C VAL A 41 -21.671 13.205 6.897 1.00 0.00 C ATOM 549 O VAL A 41 -22.301 12.427 7.622 1.00 0.00 O ATOM 550 CB VAL A 41 -20.370 11.377 5.567 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.415 11.346 4.426 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.033 10.905 4.950 1.00 0.00 C ATOM 0 H VAL A 41 -19.566 12.466 8.231 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.028 13.452 5.455 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.644 10.706 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.426 10.356 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.402 11.571 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.154 12.089 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.171 9.928 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.708 11.621 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.277 10.833 5.732 1.00 0.00 H new ATOM 562 N ASP A 42 -22.158 14.417 6.562 1.00 0.00 N ATOM 563 CA ASP A 42 -23.516 14.883 6.961 1.00 0.00 C ATOM 564 C ASP A 42 -24.619 14.203 6.087 1.00 0.00 C ATOM 565 O ASP A 42 -24.937 14.653 4.981 1.00 0.00 O ATOM 566 CB ASP A 42 -23.504 16.430 6.864 1.00 0.00 C ATOM 567 CG ASP A 42 -24.793 17.139 7.280 1.00 0.00 C ATOM 568 OD1 ASP A 42 -25.785 16.991 6.350 1.00 0.00 O ATOM 569 OD2 ASP A 42 -24.909 17.771 8.326 1.00 0.00 O ATOM 0 H ASP A 42 -21.634 15.099 6.014 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.761 14.595 7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -22.690 16.806 7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -23.276 16.708 5.835 1.00 0.00 H new ATOM 574 N GLY A 43 -25.183 13.121 6.623 1.00 0.00 N ATOM 575 CA GLY A 43 -25.928 12.121 5.819 1.00 0.00 C ATOM 576 C GLY A 43 -25.935 10.697 6.418 1.00 0.00 C ATOM 577 O GLY A 43 -26.992 10.065 6.453 1.00 0.00 O ATOM 0 H GLY A 43 -25.144 12.903 7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -26.958 12.459 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.494 12.080 4.820 1.00 0.00 H new ATOM 581 N PHE A 44 -24.776 10.188 6.881 1.00 0.00 N ATOM 582 CA PHE A 44 -24.716 8.910 7.641 1.00 0.00 C ATOM 583 C PHE A 44 -24.848 9.156 9.184 1.00 0.00 C ATOM 584 O PHE A 44 -24.180 10.023 9.759 1.00 0.00 O ATOM 585 CB PHE A 44 -23.402 8.173 7.252 1.00 0.00 C ATOM 586 CG PHE A 44 -23.286 6.747 7.822 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.900 5.663 7.185 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.640 6.542 9.045 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.880 4.401 7.771 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.630 5.283 9.636 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.248 4.212 8.997 1.00 0.00 C ATOM 0 H PHE A 44 -23.869 10.635 6.746 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.561 8.274 7.379 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.334 8.125 6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.552 8.761 7.599 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.392 5.806 6.234 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.145 7.368 9.535 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.355 3.568 7.274 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.144 5.137 10.589 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.237 3.233 9.453 1.00 0.00 H new ATOM 601 N ASN A 45 -25.668 8.329 9.860 1.00 0.00 N ATOM 602 CA ASN A 45 -25.780 8.336 11.343 1.00 0.00 C ATOM 603 C ASN A 45 -24.604 7.543 12.010 1.00 0.00 C ATOM 604 O ASN A 45 -24.652 6.316 12.133 1.00 0.00 O ATOM 605 CB ASN A 45 -27.185 7.768 11.683 1.00 0.00 C ATOM 606 CG ASN A 45 -27.603 7.910 13.141 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.096 8.941 13.581 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.432 6.890 13.937 1.00 0.00 N ATOM 0 H ASN A 45 -26.269 7.641 9.405 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.689 9.344 11.749 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -27.924 8.270 11.059 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.207 6.711 11.416 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.708 6.956 14.917 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -27.022 6.027 13.579 1.00 0.00 H new ATOM 615 N TYR A 46 -23.561 8.262 12.450 1.00 0.00 N ATOM 616 CA TYR A 46 -22.377 7.664 13.127 1.00 0.00 C ATOM 617 C TYR A 46 -22.604 7.357 14.646 1.00 0.00 C ATOM 618 O TYR A 46 -23.422 7.999 15.314 1.00 0.00 O ATOM 619 CB TYR A 46 -21.172 8.633 12.935 1.00 0.00 C ATOM 620 CG TYR A 46 -20.587 8.711 11.514 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.684 7.739 11.077 1.00 0.00 C ATOM 622 CD2 TYR A 46 -20.934 9.761 10.656 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.110 7.830 9.812 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.371 9.841 9.384 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.449 8.885 8.968 1.00 0.00 C ATOM 626 OH TYR A 46 -18.847 8.998 7.744 1.00 0.00 O ATOM 0 H TYR A 46 -23.504 9.276 12.351 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.182 6.695 12.668 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.485 9.634 13.233 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.377 8.332 13.617 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.430 6.912 11.724 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.640 10.511 10.981 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.402 7.083 9.485 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.650 10.646 8.720 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.371 9.853 7.691 1.00 0.00 H new ATOM 636 N SER A 47 -21.830 6.411 15.220 1.00 0.00 N ATOM 637 CA SER A 47 -21.813 6.191 16.699 1.00 0.00 C ATOM 638 C SER A 47 -21.165 7.369 17.499 1.00 0.00 C ATOM 639 O SER A 47 -20.221 8.017 17.031 1.00 0.00 O ATOM 640 CB SER A 47 -21.179 4.816 17.052 1.00 0.00 C ATOM 641 OG SER A 47 -19.747 4.805 16.997 1.00 0.00 O ATOM 0 H SER A 47 -21.213 5.790 14.697 1.00 0.00 H new ATOM 0 HA SER A 47 -22.854 6.171 17.021 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.496 4.527 18.054 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.565 4.062 16.366 1.00 0.00 H new ATOM 0 HG SER A 47 -19.400 4.141 17.629 1.00 0.00 H new ATOM 647 N ASP A 48 -21.651 7.625 18.731 1.00 0.00 N ATOM 648 CA ASP A 48 -21.087 8.689 19.623 1.00 0.00 C ATOM 649 C ASP A 48 -19.526 8.670 19.852 1.00 0.00 C ATOM 650 O ASP A 48 -18.944 9.750 19.718 1.00 0.00 O ATOM 651 CB ASP A 48 -21.882 8.771 20.956 1.00 0.00 C ATOM 652 CG ASP A 48 -23.320 9.285 20.823 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.597 10.418 20.442 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.246 8.344 21.174 1.00 0.00 O ATOM 0 H ASP A 48 -22.433 7.115 19.142 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.227 9.612 19.061 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.907 7.779 21.408 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.342 9.421 21.644 1.00 0.00 H new ATOM 659 N PRO A 49 -18.792 7.544 20.108 1.00 0.00 N ATOM 660 CA PRO A 49 -17.300 7.516 20.057 1.00 0.00 C ATOM 661 C PRO A 49 -16.583 7.865 18.716 1.00 0.00 C ATOM 662 O PRO A 49 -15.492 8.434 18.754 1.00 0.00 O ATOM 663 CB PRO A 49 -16.965 6.089 20.531 1.00 0.00 C ATOM 664 CG PRO A 49 -18.231 5.572 21.211 1.00 0.00 C ATOM 665 CD PRO A 49 -19.374 6.239 20.463 1.00 0.00 C ATOM 0 HA PRO A 49 -16.917 8.330 20.673 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.684 5.453 19.691 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.123 6.094 21.223 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.298 4.486 21.149 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.246 5.832 22.269 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.670 5.671 19.581 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.262 6.345 21.086 1.00 0.00 H new ATOM 673 N MET A 50 -17.180 7.553 17.550 1.00 0.00 N ATOM 674 CA MET A 50 -16.750 8.133 16.244 1.00 0.00 C ATOM 675 C MET A 50 -16.981 9.678 16.111 1.00 0.00 C ATOM 676 O MET A 50 -16.082 10.388 15.653 1.00 0.00 O ATOM 677 CB MET A 50 -17.439 7.299 15.130 1.00 0.00 C ATOM 678 CG MET A 50 -16.917 7.542 13.701 1.00 0.00 C ATOM 679 SD MET A 50 -15.227 6.947 13.513 1.00 0.00 S ATOM 680 CE MET A 50 -15.514 5.332 12.775 1.00 0.00 C ATOM 0 H MET A 50 -17.963 6.903 17.476 1.00 0.00 H new ATOM 0 HA MET A 50 -15.666 8.059 16.154 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.321 6.242 15.366 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.508 7.512 15.149 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.565 7.037 12.984 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.958 8.607 13.473 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.595 4.976 12.310 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.826 4.629 13.548 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.296 5.411 12.020 1.00 0.00 H new ATOM 690 N LYS A 51 -18.146 10.202 16.540 1.00 0.00 N ATOM 691 CA LYS A 51 -18.402 11.672 16.622 1.00 0.00 C ATOM 692 C LYS A 51 -17.483 12.443 17.632 1.00 0.00 C ATOM 693 O LYS A 51 -16.901 13.465 17.261 1.00 0.00 O ATOM 694 CB LYS A 51 -19.912 11.928 16.892 1.00 0.00 C ATOM 695 CG LYS A 51 -20.885 11.453 15.781 1.00 0.00 C ATOM 696 CD LYS A 51 -22.364 11.827 16.007 1.00 0.00 C ATOM 697 CE LYS A 51 -23.026 11.084 17.178 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.453 11.442 17.284 1.00 0.00 N ATOM 0 H LYS A 51 -18.937 9.632 16.840 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.130 12.088 15.652 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.184 11.433 17.824 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.059 12.997 17.045 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.560 11.875 14.830 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.809 10.369 15.692 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.433 12.900 16.186 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.924 11.619 15.095 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.926 10.008 17.035 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.514 11.331 18.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.881 10.929 18.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.543 12.466 17.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.942 11.184 16.403 1.00 0.00 H new ATOM 711 N ALA A 52 -17.313 11.945 18.871 1.00 0.00 N ATOM 712 CA ALA A 52 -16.337 12.502 19.847 1.00 0.00 C ATOM 713 C ALA A 52 -14.851 11.986 19.762 1.00 0.00 C ATOM 714 O ALA A 52 -14.120 12.081 20.753 1.00 0.00 O ATOM 715 CB ALA A 52 -16.986 12.226 21.221 1.00 0.00 C ATOM 0 H ALA A 52 -17.842 11.150 19.229 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.178 13.558 19.631 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.337 12.603 22.012 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.952 12.728 21.274 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.127 11.153 21.348 1.00 0.00 H new ATOM 721 N HIS A 53 -14.364 11.510 18.596 1.00 0.00 N ATOM 722 CA HIS A 53 -12.950 11.061 18.427 1.00 0.00 C ATOM 723 C HIS A 53 -11.918 12.234 18.299 1.00 0.00 C ATOM 724 O HIS A 53 -10.970 12.292 19.086 1.00 0.00 O ATOM 725 CB HIS A 53 -12.906 10.054 17.242 1.00 0.00 C ATOM 726 CG HIS A 53 -11.624 9.225 17.147 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.613 9.466 16.226 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.324 8.099 17.933 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.769 8.434 16.553 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.108 7.562 17.555 1.00 0.00 N ATOM 0 H HIS A 53 -14.926 11.423 17.749 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.625 10.560 19.339 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.754 9.375 17.330 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.034 10.606 16.311 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.953 7.709 18.719 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.838 8.309 16.021 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.607 6.751 17.917 1.00 0.00 H new ATOM 738 N GLY A 54 -12.083 13.139 17.313 1.00 0.00 N ATOM 739 CA GLY A 54 -11.129 14.255 17.076 1.00 0.00 C ATOM 740 C GLY A 54 -9.938 13.896 16.169 1.00 0.00 C ATOM 741 O GLY A 54 -8.864 13.528 16.649 1.00 0.00 O ATOM 0 H GLY A 54 -12.869 13.123 16.663 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.670 15.090 16.630 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.747 14.599 18.037 1.00 0.00 H new ATOM 745 N GLY A 55 -10.137 14.035 14.857 1.00 0.00 N ATOM 746 CA GLY A 55 -9.082 13.733 13.861 1.00 0.00 C ATOM 747 C GLY A 55 -9.534 13.760 12.384 1.00 0.00 C ATOM 748 O GLY A 55 -10.682 14.070 12.046 1.00 0.00 O ATOM 0 H GLY A 55 -11.016 14.354 14.450 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.271 14.450 13.988 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.672 12.747 14.079 1.00 0.00 H new ATOM 752 N ASP A 56 -8.595 13.401 11.496 1.00 0.00 N ATOM 753 CA ASP A 56 -8.877 13.209 10.041 1.00 0.00 C ATOM 754 C ASP A 56 -8.221 11.887 9.525 1.00 0.00 C ATOM 755 O ASP A 56 -7.194 11.426 10.041 1.00 0.00 O ATOM 756 CB ASP A 56 -8.406 14.435 9.208 1.00 0.00 C ATOM 757 CG ASP A 56 -9.128 15.759 9.494 1.00 0.00 C ATOM 758 OD1 ASP A 56 -10.150 16.122 8.916 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.510 16.474 10.478 1.00 0.00 O ATOM 0 H ASP A 56 -7.622 13.233 11.750 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.956 13.125 9.913 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.340 14.580 9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.527 14.199 8.151 1.00 0.00 H new ATOM 764 N TRP A 57 -8.812 11.276 8.482 1.00 0.00 N ATOM 765 CA TRP A 57 -8.421 9.919 8.007 1.00 0.00 C ATOM 766 C TRP A 57 -7.172 9.917 7.069 1.00 0.00 C ATOM 767 O TRP A 57 -7.246 9.696 5.858 1.00 0.00 O ATOM 768 CB TRP A 57 -9.669 9.226 7.385 1.00 0.00 C ATOM 769 CG TRP A 57 -10.706 8.671 8.373 1.00 0.00 C ATOM 770 CD1 TRP A 57 -12.050 9.089 8.478 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.536 7.720 9.370 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.728 8.407 9.505 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.768 7.580 10.055 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.380 7.034 9.832 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.847 6.791 11.224 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.479 6.272 10.994 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.691 6.162 11.686 1.00 0.00 C ATOM 0 H TRP A 57 -9.569 11.697 7.943 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.088 9.334 8.865 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.168 9.943 6.733 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.325 8.406 6.754 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.502 9.840 7.847 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.705 8.502 9.781 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.446 7.102 9.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.784 6.677 11.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.606 5.757 11.367 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.732 5.579 12.594 1.00 0.00 H new ATOM 788 N THR A 58 -6.000 10.112 7.682 1.00 0.00 N ATOM 789 CA THR A 58 -4.671 9.996 7.014 1.00 0.00 C ATOM 790 C THR A 58 -4.257 8.503 6.721 1.00 0.00 C ATOM 791 O THR A 58 -4.775 7.605 7.395 1.00 0.00 O ATOM 792 CB THR A 58 -3.604 10.724 7.901 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.545 10.179 9.216 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.812 12.243 8.046 1.00 0.00 C ATOM 0 H THR A 58 -5.932 10.359 8.669 1.00 0.00 H new ATOM 0 HA THR A 58 -4.733 10.474 6.036 1.00 0.00 H new ATOM 0 HB THR A 58 -2.673 10.557 7.359 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.868 10.657 9.738 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.026 12.659 8.676 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.774 12.711 7.062 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.783 12.435 8.502 1.00 0.00 H new ATOM 802 N PRO A 59 -3.320 8.162 5.780 1.00 0.00 N ATOM 803 CA PRO A 59 -2.832 6.756 5.588 1.00 0.00 C ATOM 804 C PRO A 59 -2.363 5.962 6.852 1.00 0.00 C ATOM 805 O PRO A 59 -2.800 4.832 7.080 1.00 0.00 O ATOM 806 CB PRO A 59 -1.731 6.930 4.520 1.00 0.00 C ATOM 807 CG PRO A 59 -1.362 8.414 4.511 1.00 0.00 C ATOM 808 CD PRO A 59 -2.661 9.128 4.875 1.00 0.00 C ATOM 0 HA PRO A 59 -3.657 6.106 5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.862 6.316 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.088 6.614 3.540 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.573 8.632 5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.997 8.727 3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.474 10.082 5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.268 9.337 3.995 1.00 0.00 H new ATOM 816 N GLU A 60 -1.535 6.600 7.693 1.00 0.00 N ATOM 817 CA GLU A 60 -1.231 6.135 9.080 1.00 0.00 C ATOM 818 C GLU A 60 -2.453 5.860 10.032 1.00 0.00 C ATOM 819 O GLU A 60 -2.522 4.778 10.624 1.00 0.00 O ATOM 820 CB GLU A 60 -0.128 7.042 9.692 1.00 0.00 C ATOM 821 CG GLU A 60 -0.526 8.508 10.003 1.00 0.00 C ATOM 822 CD GLU A 60 0.625 9.390 10.474 1.00 0.00 C ATOM 823 OE1 GLU A 60 0.915 9.198 11.795 1.00 0.00 O ATOM 824 OE2 GLU A 60 1.211 10.182 9.742 1.00 0.00 O ATOM 0 H GLU A 60 -1.048 7.460 7.440 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.850 5.119 8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.218 6.580 10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.719 7.057 9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.963 8.950 9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.302 8.506 10.768 1.00 0.00 H new ATOM 831 N ALA A 61 -3.421 6.793 10.152 1.00 0.00 N ATOM 832 CA ALA A 61 -4.699 6.553 10.882 1.00 0.00 C ATOM 833 C ALA A 61 -5.646 5.469 10.266 1.00 0.00 C ATOM 834 O ALA A 61 -6.139 4.608 11.000 1.00 0.00 O ATOM 835 CB ALA A 61 -5.399 7.918 11.031 1.00 0.00 C ATOM 0 H ALA A 61 -3.347 7.728 9.752 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.450 6.117 11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.342 7.787 11.562 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.757 8.597 11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.594 8.337 10.044 1.00 0.00 H new ATOM 841 N LEU A 62 -5.861 5.474 8.935 1.00 0.00 N ATOM 842 CA LEU A 62 -6.539 4.366 8.203 1.00 0.00 C ATOM 843 C LEU A 62 -5.880 2.957 8.368 1.00 0.00 C ATOM 844 O LEU A 62 -6.606 2.012 8.676 1.00 0.00 O ATOM 845 CB LEU A 62 -6.674 4.748 6.698 1.00 0.00 C ATOM 846 CG LEU A 62 -7.696 5.859 6.338 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.468 6.360 4.902 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.151 5.372 6.474 1.00 0.00 C ATOM 0 H LEU A 62 -5.572 6.243 8.330 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.521 4.257 8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.694 5.062 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.943 3.849 6.144 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.537 6.673 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.194 7.138 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.460 6.766 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.588 5.531 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.832 6.182 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.316 4.528 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.336 5.061 7.502 1.00 0.00 H new ATOM 860 N GLN A 63 -4.549 2.787 8.210 1.00 0.00 N ATOM 861 CA GLN A 63 -3.876 1.475 8.463 1.00 0.00 C ATOM 862 C GLN A 63 -3.914 0.959 9.947 1.00 0.00 C ATOM 863 O GLN A 63 -4.106 -0.241 10.165 1.00 0.00 O ATOM 864 CB GLN A 63 -2.492 1.431 7.751 1.00 0.00 C ATOM 865 CG GLN A 63 -1.255 1.997 8.495 1.00 0.00 C ATOM 866 CD GLN A 63 -0.587 1.053 9.509 1.00 0.00 C ATOM 867 OE1 GLN A 63 -0.647 -0.173 9.424 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.087 1.593 10.493 1.00 0.00 N ATOM 0 H GLN A 63 -3.916 3.529 7.911 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.489 0.706 7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.281 0.391 7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.587 1.971 6.809 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.511 2.286 7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.554 2.906 9.017 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.145 2.608 10.575 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.554 0.999 11.178 1.00 0.00 H new ATOM 877 N GLU A 64 -3.800 1.834 10.966 1.00 0.00 N ATOM 878 CA GLU A 64 -4.141 1.494 12.378 1.00 0.00 C ATOM 879 C GLU A 64 -5.636 1.078 12.606 1.00 0.00 C ATOM 880 O GLU A 64 -5.888 0.006 13.163 1.00 0.00 O ATOM 881 CB GLU A 64 -3.721 2.700 13.262 1.00 0.00 C ATOM 882 CG GLU A 64 -2.200 2.985 13.329 1.00 0.00 C ATOM 883 CD GLU A 64 -1.424 2.111 14.312 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.265 2.390 15.495 1.00 0.00 O ATOM 885 OE2 GLU A 64 -0.927 0.985 13.728 1.00 0.00 O ATOM 0 H GLU A 64 -3.472 2.792 10.844 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.590 0.597 12.660 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.223 3.593 12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.085 2.529 14.275 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.776 2.851 12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.053 4.030 13.600 1.00 0.00 H new ATOM 892 N PHE A 65 -6.618 1.882 12.147 1.00 0.00 N ATOM 893 CA PHE A 65 -8.060 1.508 12.161 1.00 0.00 C ATOM 894 C PHE A 65 -8.442 0.224 11.351 1.00 0.00 C ATOM 895 O PHE A 65 -9.216 -0.588 11.849 1.00 0.00 O ATOM 896 CB PHE A 65 -8.818 2.781 11.701 1.00 0.00 C ATOM 897 CG PHE A 65 -10.352 2.697 11.751 1.00 0.00 C ATOM 898 CD1 PHE A 65 -11.034 2.822 12.967 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.079 2.492 10.574 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.424 2.741 13.003 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.467 2.408 10.618 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.140 2.529 11.828 1.00 0.00 C ATOM 0 H PHE A 65 -6.441 2.807 11.756 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.347 1.201 13.167 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.498 3.617 12.323 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.518 3.011 10.679 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.480 2.982 13.880 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.562 2.399 9.630 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.947 2.843 13.943 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.025 2.248 9.707 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.217 2.459 11.857 1.00 0.00 H new ATOM 912 N LEU A 66 -7.902 -0.005 10.145 1.00 0.00 N ATOM 913 CA LEU A 66 -8.042 -1.317 9.442 1.00 0.00 C ATOM 914 C LEU A 66 -7.188 -2.502 10.020 1.00 0.00 C ATOM 915 O LEU A 66 -7.456 -3.648 9.659 1.00 0.00 O ATOM 916 CB LEU A 66 -7.785 -1.107 7.923 1.00 0.00 C ATOM 917 CG LEU A 66 -8.705 -0.105 7.171 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.231 0.067 5.720 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.188 -0.511 7.200 1.00 0.00 C ATOM 0 H LEU A 66 -7.364 0.689 9.627 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.066 -1.646 9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.754 -0.775 7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.869 -2.076 7.431 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.629 0.846 7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.884 0.771 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.210 0.448 5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.262 -0.896 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.778 0.228 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.307 -1.487 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.531 -0.563 8.233 1.00 0.00 H new ATOM 931 N THR A 67 -6.219 -2.274 10.932 1.00 0.00 N ATOM 932 CA THR A 67 -5.636 -3.348 11.794 1.00 0.00 C ATOM 933 C THR A 67 -6.642 -3.818 12.904 1.00 0.00 C ATOM 934 O THR A 67 -6.967 -5.006 12.948 1.00 0.00 O ATOM 935 CB THR A 67 -4.253 -2.909 12.379 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.392 -2.384 11.374 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.466 -4.064 13.021 1.00 0.00 C ATOM 0 H THR A 67 -5.815 -1.352 11.098 1.00 0.00 H new ATOM 0 HA THR A 67 -5.453 -4.220 11.165 1.00 0.00 H new ATOM 0 HB THR A 67 -4.515 -2.161 13.127 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.602 -1.439 11.224 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.518 -3.689 13.406 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.047 -4.489 13.839 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.275 -4.834 12.273 1.00 0.00 H new ATOM 945 N ASN A 68 -7.135 -2.914 13.780 1.00 0.00 N ATOM 946 CA ASN A 68 -8.254 -3.218 14.716 1.00 0.00 C ATOM 947 C ASN A 68 -9.165 -1.942 14.842 1.00 0.00 C ATOM 948 O ASN A 68 -8.756 -0.998 15.534 1.00 0.00 O ATOM 949 CB ASN A 68 -7.691 -3.719 16.075 1.00 0.00 C ATOM 950 CG ASN A 68 -8.742 -4.240 17.071 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.843 -3.717 17.220 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.432 -5.269 17.821 1.00 0.00 N ATOM 0 H ASN A 68 -6.777 -1.962 13.862 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.877 -4.027 14.335 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.973 -4.516 15.880 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.142 -2.903 16.545 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.099 -5.618 18.509 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.524 -5.721 17.716 1.00 0.00 H new ATOM 959 N PRO A 69 -10.397 -1.862 14.250 1.00 0.00 N ATOM 960 CA PRO A 69 -11.248 -0.643 14.359 1.00 0.00 C ATOM 961 C PRO A 69 -11.892 -0.354 15.751 1.00 0.00 C ATOM 962 O PRO A 69 -11.975 0.811 16.150 1.00 0.00 O ATOM 963 CB PRO A 69 -12.244 -0.799 13.194 1.00 0.00 C ATOM 964 CG PRO A 69 -12.214 -2.262 12.756 1.00 0.00 C ATOM 965 CD PRO A 69 -10.916 -2.863 13.295 1.00 0.00 C ATOM 0 HA PRO A 69 -10.646 0.262 14.282 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.248 -0.513 13.507 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.970 -0.145 12.366 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.079 -2.799 13.146 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.253 -2.340 11.670 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.098 -3.819 13.786 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.203 -3.048 12.491 1.00 0.00 H new ATOM 973 N LYS A 70 -12.299 -1.400 16.491 1.00 0.00 N ATOM 974 CA LYS A 70 -12.776 -1.291 17.900 1.00 0.00 C ATOM 975 C LYS A 70 -11.730 -0.792 18.954 1.00 0.00 C ATOM 976 O LYS A 70 -12.094 -0.060 19.876 1.00 0.00 O ATOM 977 CB LYS A 70 -13.416 -2.639 18.343 1.00 0.00 C ATOM 978 CG LYS A 70 -14.694 -3.125 17.608 1.00 0.00 C ATOM 979 CD LYS A 70 -14.435 -3.924 16.309 1.00 0.00 C ATOM 980 CE LYS A 70 -15.684 -4.585 15.701 1.00 0.00 C ATOM 981 NZ LYS A 70 -16.098 -5.793 16.441 1.00 0.00 N ATOM 0 H LYS A 70 -12.310 -2.356 16.135 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.518 -0.492 17.884 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.658 -3.416 18.241 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.652 -2.562 19.404 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.273 -3.747 18.290 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.309 -2.258 17.367 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.998 -3.255 15.568 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.695 -4.698 16.516 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.504 -3.867 15.694 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.483 -4.849 14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.943 -6.202 15.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.327 -6.490 16.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.317 -5.539 17.426 1.00 0.00 H new ATOM 994 N ALA A 71 -10.450 -1.170 18.815 1.00 0.00 N ATOM 995 CA ALA A 71 -9.334 -0.572 19.598 1.00 0.00 C ATOM 996 C ALA A 71 -9.000 0.927 19.288 1.00 0.00 C ATOM 997 O ALA A 71 -8.812 1.704 20.227 1.00 0.00 O ATOM 998 CB ALA A 71 -8.113 -1.491 19.414 1.00 0.00 C ATOM 0 H ALA A 71 -10.150 -1.894 18.163 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.651 -0.520 20.640 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.268 -1.089 19.973 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.350 -2.489 19.782 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.855 -1.546 18.356 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.934 1.343 18.005 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.703 2.776 17.621 1.00 0.00 C ATOM 1006 C VAL A 72 -9.930 3.704 17.932 1.00 0.00 C ATOM 1007 O VAL A 72 -9.744 4.742 18.575 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.173 2.871 16.145 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -8.035 4.317 15.601 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.792 2.199 15.968 1.00 0.00 C ATOM 0 H VAL A 72 -9.036 0.715 17.208 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.915 3.175 18.260 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.944 2.349 15.578 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.663 4.286 14.577 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.008 4.807 15.619 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.336 4.875 16.224 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.472 2.293 14.930 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.065 2.686 16.618 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.864 1.144 16.231 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.150 3.368 17.473 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.386 4.122 17.836 1.00 0.00 C ATOM 1022 C VAL A 73 -13.163 3.239 18.870 1.00 0.00 C ATOM 1023 O VAL A 73 -13.827 2.261 18.504 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.214 4.503 16.563 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.498 5.289 16.910 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.450 5.353 15.517 1.00 0.00 C ATOM 0 H VAL A 73 -11.316 2.579 16.848 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.157 5.083 18.297 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.442 3.529 16.129 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.036 5.529 15.993 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.133 4.682 17.555 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.232 6.211 17.427 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.105 5.566 14.673 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.130 6.290 15.973 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.577 4.802 15.168 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.072 3.591 20.167 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.598 2.747 21.281 1.00 0.00 C ATOM 1038 C LYS A 74 -15.160 2.770 21.422 1.00 0.00 C ATOM 1039 O LYS A 74 -15.769 3.606 22.092 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.792 3.058 22.570 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.030 4.446 23.209 1.00 0.00 C ATOM 1042 CD LYS A 74 -11.982 4.872 24.258 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.031 4.060 25.563 1.00 0.00 C ATOM 1044 NZ LYS A 74 -11.018 4.566 26.510 1.00 0.00 N ATOM 0 H LYS A 74 -12.637 4.459 20.480 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.431 1.696 21.046 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.026 2.295 23.312 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.731 2.964 22.341 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.053 5.194 22.417 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.014 4.449 23.679 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.988 4.777 23.821 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.128 5.926 24.493 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.024 4.130 26.008 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.850 3.006 25.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.057 4.012 27.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.072 4.477 26.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.210 5.566 26.722 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.787 1.825 20.718 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.244 1.861 20.411 1.00 0.00 C ATOM 1059 C GLY A 75 -17.653 2.443 19.029 1.00 0.00 C ATOM 1060 O GLY A 75 -18.682 3.118 18.899 1.00 0.00 O ATOM 0 H GLY A 75 -15.311 1.007 20.338 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.631 0.844 20.480 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.741 2.445 21.186 1.00 0.00 H new ATOM 1064 N THR A 76 -16.909 2.088 17.970 1.00 0.00 N ATOM 1065 CA THR A 76 -17.423 2.130 16.574 1.00 0.00 C ATOM 1066 C THR A 76 -18.402 0.946 16.293 1.00 0.00 C ATOM 1067 O THR A 76 -18.070 -0.220 16.535 1.00 0.00 O ATOM 1068 CB THR A 76 -16.254 2.179 15.541 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.769 2.287 14.223 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.275 0.993 15.499 1.00 0.00 C ATOM 0 H THR A 76 -15.944 1.766 18.045 1.00 0.00 H new ATOM 0 HA THR A 76 -17.994 3.051 16.457 1.00 0.00 H new ATOM 0 HB THR A 76 -15.688 3.043 15.891 1.00 0.00 H new ATOM 0 HG1 THR A 76 -17.410 3.027 14.182 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.520 1.171 14.733 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.790 0.887 16.469 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.821 0.079 15.265 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.577 1.228 15.705 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.468 0.155 15.154 1.00 0.00 C ATOM 1080 C LYS A 77 -20.064 -0.471 13.765 1.00 0.00 C ATOM 1081 O LYS A 77 -20.900 -1.086 13.096 1.00 0.00 O ATOM 1082 CB LYS A 77 -21.938 0.650 15.243 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.357 1.828 14.329 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.815 2.265 14.592 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.228 3.572 13.899 1.00 0.00 C ATOM 1086 NZ LYS A 77 -24.397 3.410 12.443 1.00 0.00 N ATOM 0 H LYS A 77 -19.942 2.174 15.593 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.336 -0.724 15.784 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.590 -0.195 15.022 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.132 0.941 16.275 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.688 2.673 14.495 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.248 1.535 13.285 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.483 1.469 14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.958 2.379 15.667 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.162 3.930 14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.474 4.335 14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.525 4.343 12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.553 2.952 12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.233 2.821 12.254 1.00 0.00 H new ATOM 1099 N MET A 78 -18.777 -0.397 13.364 1.00 0.00 N ATOM 1100 CA MET A 78 -18.234 -1.143 12.203 1.00 0.00 C ATOM 1101 C MET A 78 -17.922 -2.619 12.598 1.00 0.00 C ATOM 1102 O MET A 78 -16.940 -2.891 13.297 1.00 0.00 O ATOM 1103 CB MET A 78 -16.998 -0.371 11.657 1.00 0.00 C ATOM 1104 CG MET A 78 -16.315 -1.075 10.467 1.00 0.00 C ATOM 1105 SD MET A 78 -15.574 0.105 9.267 1.00 0.00 S ATOM 1106 CE MET A 78 -13.867 -0.537 9.401 1.00 0.00 C ATOM 0 H MET A 78 -18.082 0.182 13.835 1.00 0.00 H new ATOM 0 HA MET A 78 -18.969 -1.205 11.401 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.309 0.627 11.350 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.273 -0.246 12.461 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.537 -1.740 10.842 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.046 -1.698 9.952 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.210 0.035 8.746 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.523 -0.444 10.431 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.849 -1.586 9.106 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.730 -3.574 12.100 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.496 -5.024 12.339 1.00 0.00 C ATOM 1118 C ALA A 79 -17.410 -5.632 11.389 1.00 0.00 C ATOM 1119 O ALA A 79 -17.690 -6.359 10.431 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.875 -5.709 12.262 1.00 0.00 C ATOM 0 H ALA A 79 -19.552 -3.375 11.529 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.064 -5.195 13.325 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.759 -6.780 12.431 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.532 -5.290 13.024 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.310 -5.542 11.276 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.146 -5.308 11.697 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.961 -5.751 10.924 1.00 0.00 C ATOM 1128 C PHE A 80 -13.808 -6.051 11.933 1.00 0.00 C ATOM 1129 O PHE A 80 -13.450 -5.207 12.761 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.601 -4.649 9.883 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.502 -5.047 8.886 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.790 -5.944 7.851 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.192 -4.580 9.044 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.777 -6.392 7.009 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.181 -5.023 8.194 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.473 -5.940 7.186 1.00 0.00 C ATOM 0 H PHE A 80 -15.908 -4.724 12.499 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.152 -6.666 10.363 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.500 -4.386 9.326 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.283 -3.753 10.417 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.803 -6.290 7.705 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.964 -3.873 9.828 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.003 -7.091 6.217 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.172 -4.656 8.316 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.685 -6.301 6.541 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.207 -7.250 11.854 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.078 -7.636 12.744 1.00 0.00 C ATOM 1148 C ALA A 81 -10.711 -6.962 12.392 1.00 0.00 C ATOM 1149 O ALA A 81 -10.139 -6.276 13.244 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.027 -9.177 12.774 1.00 0.00 C ATOM 0 H ALA A 81 -13.477 -7.973 11.187 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.263 -7.250 13.747 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.210 -9.502 13.418 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.969 -9.565 13.161 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.866 -9.555 11.765 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.195 -7.149 11.163 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.894 -6.564 10.760 1.00 0.00 C ATOM 1158 C GLY A 82 -8.300 -7.113 9.446 1.00 0.00 C ATOM 1159 O GLY A 82 -8.482 -8.276 9.079 1.00 0.00 O ATOM 0 H GLY A 82 -10.652 -7.696 10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.015 -5.485 10.661 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.175 -6.732 11.562 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.502 -6.268 8.783 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.565 -6.691 7.709 1.00 0.00 C ATOM 1165 C LEU A 83 -5.138 -6.885 8.345 1.00 0.00 C ATOM 1166 O LEU A 83 -4.461 -5.870 8.565 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.539 -5.613 6.585 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.799 -5.413 5.706 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.589 -4.227 4.747 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.168 -6.661 4.887 1.00 0.00 C ATOM 0 H LEU A 83 -7.480 -5.265 8.969 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.888 -7.632 7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.309 -4.656 7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.709 -5.851 5.920 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.624 -5.215 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.480 -4.094 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.407 -3.320 5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.732 -4.426 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.059 -6.456 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.342 -6.919 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.366 -7.494 5.562 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.622 -8.112 8.669 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.320 -8.274 9.388 1.00 0.00 C ATOM 1184 C PRO A 84 -2.007 -7.894 8.628 1.00 0.00 C ATOM 1185 O PRO A 84 -1.087 -7.352 9.250 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.380 -9.741 9.856 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.311 -10.445 8.866 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.354 -9.386 8.511 1.00 0.00 C ATOM 0 HA PRO A 84 -3.235 -7.544 10.193 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.389 -10.195 9.854 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.762 -9.813 10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.770 -10.783 7.982 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.774 -11.325 9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.724 -9.513 7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.218 -9.437 9.173 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.923 -8.112 7.304 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.761 -7.704 6.476 1.00 0.00 C ATOM 1198 C LYS A 85 -0.749 -6.175 6.167 1.00 0.00 C ATOM 1199 O LYS A 85 -1.682 -5.625 5.571 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.841 -8.509 5.154 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.554 -10.024 5.263 1.00 0.00 C ATOM 1202 CD LYS A 85 0.939 -10.373 5.082 1.00 0.00 C ATOM 1203 CE LYS A 85 1.266 -11.872 5.202 1.00 0.00 C ATOM 1204 NZ LYS A 85 0.839 -12.622 4.002 1.00 0.00 N ATOM 0 H LYS A 85 -2.658 -8.577 6.771 1.00 0.00 H new ATOM 0 HA LYS A 85 0.158 -7.911 7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.837 -8.378 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.135 -8.076 4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.889 -10.382 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.138 -10.553 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.265 -10.021 4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.519 -9.827 5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.338 -12.000 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.773 -12.283 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.076 -13.628 4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.188 -12.520 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.329 -12.246 3.165 1.00 0.00 H new ATOM 1217 N ILE A 86 0.374 -5.516 6.499 1.00 0.00 N ATOM 1218 CA ILE A 86 0.694 -4.130 6.019 1.00 0.00 C ATOM 1219 C ILE A 86 0.600 -3.910 4.468 1.00 0.00 C ATOM 1220 O ILE A 86 -0.012 -2.931 4.039 1.00 0.00 O ATOM 1221 CB ILE A 86 2.044 -3.634 6.647 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.377 -2.135 6.387 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.285 -4.476 6.242 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.399 -1.116 6.992 1.00 0.00 C ATOM 0 H ILE A 86 1.093 -5.913 7.104 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.109 -3.491 6.386 1.00 0.00 H new ATOM 0 HB ILE A 86 1.848 -3.768 7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.373 -1.931 6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.419 -1.974 5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.175 -4.065 6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.145 -5.508 6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.407 -4.446 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.729 -0.106 6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.402 -1.281 6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.371 -1.237 8.075 1.00 0.00 H new ATOM 1236 N GLU A 87 1.145 -4.828 3.645 1.00 0.00 N ATOM 1237 CA GLU A 87 0.950 -4.820 2.168 1.00 0.00 C ATOM 1238 C GLU A 87 -0.530 -4.867 1.654 1.00 0.00 C ATOM 1239 O GLU A 87 -0.866 -4.094 0.759 1.00 0.00 O ATOM 1240 CB GLU A 87 1.877 -5.872 1.500 1.00 0.00 C ATOM 1241 CG GLU A 87 1.579 -7.373 1.759 1.00 0.00 C ATOM 1242 CD GLU A 87 2.501 -8.312 0.986 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.675 -8.543 1.645 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.211 -8.793 -0.105 1.00 0.00 O ATOM 0 H GLU A 87 1.731 -5.595 3.976 1.00 0.00 H new ATOM 0 HA GLU A 87 1.252 -3.825 1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.848 -5.707 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.898 -5.673 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.675 -7.577 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.545 -7.584 1.486 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.428 -5.692 2.232 1.00 0.00 N ATOM 1252 CA ASP A 88 -2.897 -5.615 1.943 1.00 0.00 C ATOM 1253 C ASP A 88 -3.591 -4.273 2.370 1.00 0.00 C ATOM 1254 O ASP A 88 -4.386 -3.731 1.596 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.616 -6.852 2.544 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.278 -8.184 1.873 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -3.869 -8.316 0.654 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -2.550 -9.036 2.371 1.00 0.00 O ATOM 0 H ASP A 88 -1.175 -6.420 2.900 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.992 -5.623 0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.365 -6.921 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.693 -6.694 2.482 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.257 -3.713 3.551 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.632 -2.318 3.933 1.00 0.00 C ATOM 1265 C ARG A 89 -3.083 -1.203 2.976 1.00 0.00 C ATOM 1266 O ARG A 89 -3.874 -0.403 2.474 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.236 -2.045 5.414 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.844 -3.008 6.465 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.751 -2.553 7.932 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.353 -2.414 8.436 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.646 -3.362 9.045 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -2.031 -4.603 9.154 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.507 -3.024 9.567 1.00 0.00 N ATOM 0 H ARG A 89 -2.723 -4.204 4.269 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.715 -2.258 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.150 -2.090 5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.532 -1.027 5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.895 -3.165 6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.348 -3.974 6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.262 -1.596 8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.283 -3.269 8.558 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.899 -1.511 8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.924 -4.896 8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.439 -5.280 9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.182 -2.059 9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.064 -3.723 10.042 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.766 -1.171 2.687 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.171 -0.293 1.642 1.00 0.00 C ATOM 1289 C ALA A 90 -1.694 -0.472 0.176 1.00 0.00 C ATOM 1290 O ALA A 90 -1.920 0.537 -0.495 1.00 0.00 O ATOM 1291 CB ALA A 90 0.354 -0.465 1.752 1.00 0.00 C ATOM 0 H ALA A 90 -1.079 -1.751 3.168 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.494 0.728 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.845 0.159 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.683 -0.167 2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.616 -1.509 1.581 1.00 0.00 H new ATOM 1297 N ASN A 91 -1.956 -1.704 -0.309 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.735 -1.950 -1.561 1.00 0.00 C ATOM 1299 C ASN A 91 -4.162 -1.300 -1.579 1.00 0.00 C ATOM 1300 O ASN A 91 -4.478 -0.556 -2.512 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.812 -3.481 -1.839 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.526 -4.203 -2.263 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.528 -3.625 -2.675 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.519 -5.512 -2.222 1.00 0.00 N ATOM 0 H ASN A 91 -1.639 -2.559 0.148 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.192 -1.450 -2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.185 -3.966 -0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.557 -3.642 -2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.694 -6.027 -2.529 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.338 -6.016 -1.883 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.005 -1.537 -0.550 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.299 -0.813 -0.380 1.00 0.00 C ATOM 1313 C LEU A 92 -6.187 0.741 -0.216 1.00 0.00 C ATOM 1314 O LEU A 92 -6.967 1.464 -0.837 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.098 -1.508 0.758 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.596 -1.102 0.866 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.457 -2.261 1.381 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.818 0.099 1.799 1.00 0.00 C ATOM 0 H LEU A 92 -4.818 -2.224 0.180 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.850 -0.890 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.041 -2.587 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.610 -1.288 1.708 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.894 -0.829 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.497 -1.942 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.377 -3.105 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.109 -2.561 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.881 0.339 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.466 -0.148 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.265 0.959 1.422 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.245 1.267 0.584 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.013 2.739 0.735 1.00 0.00 C ATOM 1332 C ILE A 93 -4.395 3.423 -0.546 1.00 0.00 C ATOM 1333 O ILE A 93 -4.738 4.575 -0.831 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.269 2.971 2.100 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -5.155 2.580 3.330 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.759 4.423 2.295 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.397 2.370 4.650 1.00 0.00 C ATOM 0 H ILE A 93 -4.616 0.697 1.150 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.960 3.275 0.794 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.401 2.313 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.902 3.359 3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.694 1.663 3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.257 4.506 3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.058 4.673 1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.603 5.112 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.103 2.103 5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.669 1.568 4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.880 3.290 4.923 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.553 2.750 -1.360 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.352 3.106 -2.795 1.00 0.00 C ATOM 1351 C ALA A 94 -4.647 3.148 -3.677 1.00 0.00 C ATOM 1352 O ALA A 94 -4.844 4.117 -4.414 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.297 2.136 -3.360 1.00 0.00 C ATOM 0 H ALA A 94 -2.996 1.953 -1.053 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.012 4.141 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.120 2.363 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.366 2.246 -2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.657 1.112 -3.266 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.547 2.144 -3.582 1.00 0.00 N ATOM 1360 CA TYR A 95 -6.892 2.194 -4.228 1.00 0.00 C ATOM 1361 C TYR A 95 -7.829 3.348 -3.722 1.00 0.00 C ATOM 1362 O TYR A 95 -8.369 4.070 -4.559 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.520 0.773 -4.150 1.00 0.00 C ATOM 1364 CG TYR A 95 -8.851 0.575 -4.896 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -8.923 0.754 -6.283 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.010 0.239 -4.188 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.145 0.649 -6.942 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.226 0.110 -4.854 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.296 0.336 -6.225 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.512 0.346 -6.855 1.00 0.00 O ATOM 0 H TYR A 95 -5.372 1.283 -3.064 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.763 2.470 -5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.798 0.058 -4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.676 0.525 -3.100 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.027 0.974 -6.844 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.961 0.079 -3.121 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.200 0.810 -8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.115 -0.166 -4.306 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.835 1.268 -6.929 1.00 0.00 H new ATOM 1380 N LEU A 96 -7.981 3.577 -2.402 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.653 4.800 -1.855 1.00 0.00 C ATOM 1382 C LEU A 96 -8.044 6.184 -2.285 1.00 0.00 C ATOM 1383 O LEU A 96 -8.808 7.119 -2.523 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.743 4.714 -0.304 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.575 3.571 0.335 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.407 3.606 1.865 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -11.070 3.652 -0.024 1.00 0.00 C ATOM 0 H LEU A 96 -7.650 2.935 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.643 4.788 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.726 4.637 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.150 5.659 0.056 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.198 2.631 -0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.992 2.803 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.355 3.474 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.755 4.566 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.603 2.828 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.478 4.599 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.189 3.586 -1.106 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.709 6.317 -2.419 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.061 7.481 -3.101 1.00 0.00 C ATOM 1401 C GLU A 97 -6.378 7.654 -4.631 1.00 0.00 C ATOM 1402 O GLU A 97 -6.522 8.790 -5.087 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.532 7.398 -2.840 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.115 7.689 -1.376 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.672 7.327 -1.054 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.530 5.991 -0.806 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.756 8.143 -1.013 1.00 0.00 O ATOM 0 H GLU A 97 -6.043 5.631 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.497 8.380 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.183 6.402 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.025 8.105 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.266 8.749 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.774 7.137 -0.706 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.523 6.566 -5.414 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.200 6.622 -6.745 1.00 0.00 C ATOM 1416 C GLY A 98 -8.725 6.924 -6.768 1.00 0.00 C ATOM 1417 O GLY A 98 -9.182 7.705 -7.603 1.00 0.00 O ATOM 0 H GLY A 98 -6.186 5.638 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.699 7.382 -7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.040 5.666 -7.243 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.512 6.316 -5.867 1.00 0.00 N ATOM 1422 CA GLN A 99 -10.969 6.605 -5.697 1.00 0.00 C ATOM 1423 C GLN A 99 -11.226 7.782 -4.681 1.00 0.00 C ATOM 1424 O GLN A 99 -11.901 7.623 -3.657 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.684 5.287 -5.258 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.431 3.957 -6.030 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.025 3.768 -7.430 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -12.783 2.835 -7.686 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -11.641 4.566 -8.397 1.00 0.00 N ATOM 0 H GLN A 99 -9.166 5.603 -5.225 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.383 6.944 -6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.420 5.109 -4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.757 5.477 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.352 3.829 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.801 3.143 -5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.012 5.344 -8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.971 4.409 -9.349 1.00 0.00 H new ATOM 1438 N GLN A 100 -10.665 8.964 -4.975 1.00 0.00 N ATOM 1439 CA GLN A 100 -10.571 10.087 -4.005 1.00 0.00 C ATOM 1440 C GLN A 100 -11.375 11.315 -4.504 1.00 0.00 C ATOM 1441 O GLN A 100 -10.875 12.097 -5.346 1.00 0.00 O ATOM 1442 CB GLN A 100 -9.067 10.362 -3.750 1.00 0.00 C ATOM 1443 CG GLN A 100 -8.757 11.270 -2.535 1.00 0.00 C ATOM 1444 CD GLN A 100 -7.263 11.554 -2.357 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -6.530 10.833 -1.687 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -6.759 12.604 -2.959 1.00 0.00 N ATOM 1447 OXT GLN A 100 -12.517 11.508 -4.028 1.00 0.00 O ATOM 0 H GLN A 100 -10.262 9.177 -5.887 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.030 9.834 -3.049 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.559 9.408 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.642 10.820 -4.643 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.288 12.215 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.140 10.798 -1.630 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.361 13.209 -3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.765 12.816 -2.868 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.300 0.123 7.279 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.770 3.101 8.926 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.426 1.709 6.139 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.367 -2.793 6.091 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.100 -1.126 8.134 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.278 1.824 7.609 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.629 2.920 8.255 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.791 3.989 8.192 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.800 3.566 7.427 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.186 2.318 7.051 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.547 4.383 7.045 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.907 5.449 8.708 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.526 6.351 7.607 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.668 7.849 7.892 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.579 8.636 6.918 1.00 0.00 O HETATM 1472 O2A HEC A 101 -15.885 8.253 9.057 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.791 -0.363 6.291 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.702 0.343 5.701 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.917 -0.396 4.822 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.367 -1.696 4.913 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.459 -1.662 5.805 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.795 0.110 3.906 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.862 -2.909 4.097 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.461 -3.370 4.528 1.00 0.00 C HETATM 1481 NC HEC A 101 -16.961 -1.621 7.334 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.533 -2.688 6.741 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.402 -3.726 6.745 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.523 -3.230 7.276 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.187 -1.955 7.599 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.263 -5.166 6.224 1.00 0.00 C HETATM 1487 CAC HEC A 101 -19.909 -3.941 7.298 1.00 0.00 C HETATM 1488 CBC HEC A 101 -19.969 -5.260 8.086 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.695 0.924 8.146 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.889 0.283 8.513 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.712 1.022 9.376 1.00 0.00 C HETATM 1492 C3D HEC A 101 -19.044 2.202 9.630 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.848 2.114 8.907 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.073 0.620 9.954 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.515 3.340 10.559 1.00 0.00 C HETATM 1496 CBD HEC A 101 -19.084 3.122 12.026 1.00 0.00 C HETATM 1497 CGD HEC A 101 -19.520 4.194 13.031 1.00 0.00 C HETATM 1498 O1D HEC A 101 -20.655 4.710 12.934 1.00 0.00 O HETATM 1499 O2D HEC A 101 -18.733 4.506 13.950 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.776 0.443 9.140 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -20.963 -0.290 10.543 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.449 1.421 10.591 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.062 -5.148 5.153 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.440 -5.662 6.739 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.188 -5.711 6.410 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.197 0.849 3.213 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -11.011 0.567 4.510 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.379 -0.726 3.344 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.849 5.284 6.511 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -12.005 4.661 7.949 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.901 3.781 6.405 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -19.478 2.162 12.359 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -17.997 3.048 12.055 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.267 -5.974 7.655 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -19.705 -5.074 9.127 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -20.978 -5.669 8.035 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.751 -2.555 4.389 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.480 -3.659 5.579 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.157 -4.224 3.922 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -14.922 6.239 6.707 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -16.517 5.961 7.376 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -19.111 4.287 10.202 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.601 3.418 10.511 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.526 5.479 9.605 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.923 5.825 8.987 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.095 -1.536 8.305 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.066 -3.783 5.748 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.578 2.244 5.710 1.00 0.00 H new HETATM 0 HHA HEC A 101 -16.901 4.014 9.506 1.00 0.00 H new HETATM 0 H2D HEC A 101 -19.221 4.549 14.799 1.00 0.00 H new HETATM 0 H2A HEC A 101 -16.835 8.143 9.270 1.00 0.00 H new