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 50 MET CE :methyl 165:sc=-0.000262 (180deg=-0.00565) USER MOD Set 1.2: A 76 THR OG1 : rot 38:sc= 0.167 USER MOD Set 2.1: A 46 TYR OH : rot 120:sc= 0.232 USER MOD Set 2.2: A 101 HEC O2A : rot 96:sc= 0.245 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.38 (180deg=0.88) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.615 K(o=0.62,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.371 K(o=0.37,f=-1.9!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 37 THR OG1 : rot -47:sc= 1.26 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -83:sc= 1.13 USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= 0.643 (180deg=0.395) USER MOD Single : A 53 HIS : no HD1:sc= 0.192 K(o=0.19,f=-0.96) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00445 USER MOD Single : A 63 GLN : amide:sc= 0.0539 X(o=0.054,f=-0.0039) USER MOD Single : A 67 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 68 ASN : amide:sc= 0.272 K(o=0.27,f=-3.5!) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 0.544 (180deg=0.494) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= 1.13 (180deg=0.889) 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= 0.786 K(o=0.79,f=-4.9!) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.406 K(o=0.41,f=-1) USER MOD Single : A 100 GLN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 101 HEC O2D : rot 60:sc= 0.0361 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.343 -1.197 -0.120 1.00 0.00 N ATOM 2 CA MET A 1 3.691 -2.021 -1.171 1.00 0.00 C ATOM 3 C MET A 1 2.282 -1.435 -1.495 1.00 0.00 C ATOM 4 O MET A 1 1.270 -1.868 -0.937 1.00 0.00 O ATOM 5 CB MET A 1 3.661 -3.513 -0.735 1.00 0.00 C ATOM 6 CG MET A 1 5.015 -4.261 -0.733 1.00 0.00 C ATOM 7 SD MET A 1 6.141 -3.653 0.547 1.00 0.00 S ATOM 8 CE MET A 1 5.511 -4.497 2.010 1.00 0.00 C ATOM 0 H1 MET A 1 5.142 -1.723 0.287 1.00 0.00 H new ATOM 0 H2 MET A 1 4.689 -0.310 -0.539 1.00 0.00 H new ATOM 0 H3 MET A 1 3.654 -0.980 0.628 1.00 0.00 H new ATOM 0 HA MET A 1 4.265 -1.986 -2.097 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.241 -3.566 0.269 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.978 -4.047 -1.395 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.838 -5.326 -0.581 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.488 -4.153 -1.709 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.109 -4.217 2.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.473 -4.210 2.177 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.569 -5.575 1.861 1.00 0.00 H new ATOM 19 N ALA A 2 2.227 -0.428 -2.388 1.00 0.00 N ATOM 20 CA ALA A 2 0.999 0.378 -2.627 1.00 0.00 C ATOM 21 C ALA A 2 0.437 0.219 -4.078 1.00 0.00 C ATOM 22 O ALA A 2 0.606 1.095 -4.933 1.00 0.00 O ATOM 23 CB ALA A 2 1.400 1.822 -2.250 1.00 0.00 C ATOM 0 H ALA A 2 3.021 -0.147 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 2 0.158 0.041 -2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.548 2.486 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.708 1.853 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.227 2.147 -2.882 1.00 0.00 H new ATOM 29 N ASP A 3 -0.260 -0.900 -4.350 1.00 0.00 N ATOM 30 CA ASP A 3 -0.841 -1.201 -5.687 1.00 0.00 C ATOM 31 C ASP A 3 -2.409 -1.040 -5.676 1.00 0.00 C ATOM 32 O ASP A 3 -3.076 -1.864 -5.036 1.00 0.00 O ATOM 33 CB ASP A 3 -0.370 -2.626 -6.084 1.00 0.00 C ATOM 34 CG ASP A 3 -0.723 -3.024 -7.518 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.835 -3.425 -7.847 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.324 -2.857 -8.378 1.00 0.00 O ATOM 0 H ASP A 3 -0.440 -1.625 -3.655 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.493 -0.492 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.711 -2.688 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.814 -3.348 -5.398 1.00 0.00 H new ATOM 41 N PRO A 4 -3.046 -0.066 -6.396 1.00 0.00 N ATOM 42 CA PRO A 4 -4.531 0.055 -6.440 1.00 0.00 C ATOM 43 C PRO A 4 -5.344 -1.008 -7.251 1.00 0.00 C ATOM 44 O PRO A 4 -6.503 -1.252 -6.908 1.00 0.00 O ATOM 45 CB PRO A 4 -4.740 1.498 -6.930 1.00 0.00 C ATOM 46 CG PRO A 4 -3.452 1.947 -7.611 1.00 0.00 C ATOM 47 CD PRO A 4 -2.344 1.008 -7.125 1.00 0.00 C ATOM 0 HA PRO A 4 -4.947 -0.162 -5.456 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.578 1.548 -7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.980 2.155 -6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.551 1.899 -8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.221 2.982 -7.357 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.771 0.608 -7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.640 1.530 -6.477 1.00 0.00 H new ATOM 55 N ALA A 5 -4.765 -1.669 -8.274 1.00 0.00 N ATOM 56 CA ALA A 5 -5.374 -2.873 -8.910 1.00 0.00 C ATOM 57 C ALA A 5 -5.547 -4.113 -7.966 1.00 0.00 C ATOM 58 O ALA A 5 -6.650 -4.661 -7.878 1.00 0.00 O ATOM 59 CB ALA A 5 -4.553 -3.186 -10.175 1.00 0.00 C ATOM 0 H ALA A 5 -3.873 -1.394 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.407 -2.641 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.968 -4.064 -10.670 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.591 -2.334 -10.854 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.517 -3.382 -9.897 1.00 0.00 H new ATOM 65 N ALA A 6 -4.507 -4.500 -7.197 1.00 0.00 N ATOM 66 CA ALA A 6 -4.678 -5.360 -5.992 1.00 0.00 C ATOM 67 C ALA A 6 -5.601 -4.784 -4.862 1.00 0.00 C ATOM 68 O ALA A 6 -6.437 -5.520 -4.332 1.00 0.00 O ATOM 69 CB ALA A 6 -3.267 -5.702 -5.483 1.00 0.00 C ATOM 0 H ALA A 6 -3.540 -4.235 -7.383 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.226 -6.253 -6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.343 -6.333 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.718 -6.233 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.739 -4.783 -5.229 1.00 0.00 H new ATOM 75 N GLY A 7 -5.517 -3.479 -4.538 1.00 0.00 N ATOM 76 CA GLY A 7 -6.522 -2.785 -3.684 1.00 0.00 C ATOM 77 C GLY A 7 -8.024 -2.871 -4.043 1.00 0.00 C ATOM 78 O GLY A 7 -8.843 -2.974 -3.132 1.00 0.00 O ATOM 0 H GLY A 7 -4.760 -2.873 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.407 -3.168 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.253 -1.729 -3.658 1.00 0.00 H new ATOM 82 N GLU A 8 -8.383 -2.873 -5.337 1.00 0.00 N ATOM 83 CA GLU A 8 -9.755 -3.216 -5.818 1.00 0.00 C ATOM 84 C GLU A 8 -10.284 -4.623 -5.363 1.00 0.00 C ATOM 85 O GLU A 8 -11.384 -4.706 -4.811 1.00 0.00 O ATOM 86 CB GLU A 8 -9.756 -3.016 -7.363 1.00 0.00 C ATOM 87 CG GLU A 8 -11.139 -2.885 -8.055 1.00 0.00 C ATOM 88 CD GLU A 8 -11.959 -4.170 -8.175 1.00 0.00 C ATOM 89 OE1 GLU A 8 -11.624 -5.137 -8.851 1.00 0.00 O ATOM 90 OE2 GLU A 8 -13.108 -4.122 -7.445 1.00 0.00 O ATOM 0 H GLU A 8 -7.737 -2.638 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.476 -2.548 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.178 -2.120 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.230 -3.857 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.729 -2.152 -7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.984 -2.483 -9.056 1.00 0.00 H new ATOM 97 N LYS A 9 -9.505 -5.710 -5.548 1.00 0.00 N ATOM 98 CA LYS A 9 -9.825 -7.041 -4.946 1.00 0.00 C ATOM 99 C LYS A 9 -9.795 -7.129 -3.378 1.00 0.00 C ATOM 100 O LYS A 9 -10.685 -7.767 -2.808 1.00 0.00 O ATOM 101 CB LYS A 9 -9.063 -8.184 -5.670 1.00 0.00 C ATOM 102 CG LYS A 9 -7.526 -8.203 -5.555 1.00 0.00 C ATOM 103 CD LYS A 9 -6.896 -9.464 -6.175 1.00 0.00 C ATOM 104 CE LYS A 9 -5.362 -9.464 -6.076 1.00 0.00 C ATOM 105 NZ LYS A 9 -4.824 -10.725 -6.621 1.00 0.00 N ATOM 0 H LYS A 9 -8.651 -5.702 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.889 -7.185 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.440 -9.133 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.320 -8.141 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.119 -7.320 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.244 -8.141 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.289 -10.348 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.189 -9.536 -7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.953 -8.616 -6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.056 -9.347 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.786 -10.719 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.203 -11.527 -6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.103 -10.819 -7.618 1.00 0.00 H new ATOM 118 N VAL A 10 -8.861 -6.456 -2.669 1.00 0.00 N ATOM 119 CA VAL A 10 -8.935 -6.287 -1.173 1.00 0.00 C ATOM 120 C VAL A 10 -10.195 -5.459 -0.693 1.00 0.00 C ATOM 121 O VAL A 10 -10.851 -5.863 0.272 1.00 0.00 O ATOM 122 CB VAL A 10 -7.589 -5.759 -0.554 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.564 -5.860 0.992 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.305 -6.488 -1.021 1.00 0.00 C ATOM 0 H VAL A 10 -8.044 -6.017 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.081 -7.291 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.577 -4.729 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.612 -5.482 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.379 -5.268 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.683 -6.901 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.437 -6.044 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.369 -7.544 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.204 -6.390 -2.102 1.00 0.00 H new ATOM 134 N PHE A 11 -10.588 -4.368 -1.390 1.00 0.00 N ATOM 135 CA PHE A 11 -11.935 -3.729 -1.247 1.00 0.00 C ATOM 136 C PHE A 11 -13.203 -4.650 -1.442 1.00 0.00 C ATOM 137 O PHE A 11 -14.275 -4.297 -0.946 1.00 0.00 O ATOM 138 CB PHE A 11 -11.959 -2.473 -2.174 1.00 0.00 C ATOM 139 CG PHE A 11 -13.021 -1.413 -1.826 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.331 -1.532 -2.303 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.690 -0.331 -1.004 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.310 -0.623 -1.907 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.663 0.593 -0.632 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.976 0.435 -1.067 1.00 0.00 C ATOM 0 H PHE A 11 -9.988 -3.900 -2.069 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.040 -3.463 -0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.977 -2.002 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.123 -2.803 -3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.585 -2.333 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.675 -0.212 -0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.327 -0.739 -2.252 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.399 1.432 -0.006 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.736 1.134 -0.752 1.00 0.00 H new ATOM 154 N GLY A 12 -13.097 -5.846 -2.058 1.00 0.00 N ATOM 155 CA GLY A 12 -14.090 -6.947 -1.894 1.00 0.00 C ATOM 156 C GLY A 12 -14.647 -7.284 -0.481 1.00 0.00 C ATOM 157 O GLY A 12 -15.841 -7.554 -0.350 1.00 0.00 O ATOM 0 H GLY A 12 -12.326 -6.083 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.942 -6.713 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.636 -7.856 -2.289 1.00 0.00 H new ATOM 161 N LYS A 13 -13.810 -7.215 0.571 1.00 0.00 N ATOM 162 CA LYS A 13 -14.290 -7.207 1.990 1.00 0.00 C ATOM 163 C LYS A 13 -15.114 -5.949 2.453 1.00 0.00 C ATOM 164 O LYS A 13 -15.983 -6.068 3.319 1.00 0.00 O ATOM 165 CB LYS A 13 -13.089 -7.439 2.953 1.00 0.00 C ATOM 166 CG LYS A 13 -12.314 -8.772 2.799 1.00 0.00 C ATOM 167 CD LYS A 13 -11.192 -8.970 3.842 1.00 0.00 C ATOM 168 CE LYS A 13 -11.684 -9.489 5.204 1.00 0.00 C ATOM 169 NZ LYS A 13 -10.554 -9.597 6.150 1.00 0.00 N ATOM 0 H LYS A 13 -12.796 -7.164 0.478 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.010 -8.024 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.383 -6.619 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.458 -7.378 3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.018 -9.601 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.879 -8.815 1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.459 -9.670 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.678 -8.020 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.441 -8.815 5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.158 -10.463 5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.900 -9.949 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.846 -10.257 5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.120 -8.661 6.280 1.00 0.00 H new ATOM 182 N CYS A 14 -14.830 -4.763 1.898 1.00 0.00 N ATOM 183 CA CYS A 14 -15.552 -3.497 2.208 1.00 0.00 C ATOM 184 C CYS A 14 -16.888 -3.258 1.422 1.00 0.00 C ATOM 185 O CYS A 14 -17.850 -2.751 2.008 1.00 0.00 O ATOM 186 CB CYS A 14 -14.571 -2.319 1.984 1.00 0.00 C ATOM 187 SG CYS A 14 -12.844 -2.677 2.426 1.00 0.00 S ATOM 0 H CYS A 14 -14.085 -4.642 1.211 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.875 -3.574 3.246 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.610 -2.025 0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.912 -1.464 2.568 1.00 0.00 H new ATOM 192 N LYS A 15 -16.944 -3.591 0.112 1.00 0.00 N ATOM 193 CA LYS A 15 -18.091 -3.265 -0.792 1.00 0.00 C ATOM 194 C LYS A 15 -19.537 -3.718 -0.399 1.00 0.00 C ATOM 195 O LYS A 15 -20.497 -3.018 -0.731 1.00 0.00 O ATOM 196 CB LYS A 15 -17.712 -3.674 -2.243 1.00 0.00 C ATOM 197 CG LYS A 15 -17.704 -5.187 -2.572 1.00 0.00 C ATOM 198 CD LYS A 15 -17.215 -5.479 -4.003 1.00 0.00 C ATOM 199 CE LYS A 15 -17.363 -6.964 -4.371 1.00 0.00 C ATOM 200 NZ LYS A 15 -16.792 -7.212 -5.709 1.00 0.00 N ATOM 0 H LYS A 15 -16.194 -4.097 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.212 -2.187 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.407 -3.184 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.720 -3.276 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.063 -5.707 -1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.710 -5.588 -2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.781 -4.872 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.169 -5.185 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.857 -7.583 -3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.415 -7.247 -4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.896 -8.218 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.293 -6.634 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.783 -6.959 -5.708 1.00 0.00 H new ATOM 213 N ALA A 16 -19.700 -4.848 0.317 1.00 0.00 N ATOM 214 CA ALA A 16 -21.000 -5.234 0.935 1.00 0.00 C ATOM 215 C ALA A 16 -21.622 -4.228 1.967 1.00 0.00 C ATOM 216 O ALA A 16 -22.844 -4.066 1.986 1.00 0.00 O ATOM 217 CB ALA A 16 -20.789 -6.632 1.548 1.00 0.00 C ATOM 0 H ALA A 16 -18.949 -5.517 0.486 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.754 -5.225 0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.714 -6.967 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.505 -7.334 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.998 -6.585 2.297 1.00 0.00 H new ATOM 223 N CYS A 17 -20.801 -3.556 2.797 1.00 0.00 N ATOM 224 CA CYS A 17 -21.262 -2.438 3.661 1.00 0.00 C ATOM 225 C CYS A 17 -21.097 -0.991 3.069 1.00 0.00 C ATOM 226 O CYS A 17 -21.960 -0.141 3.311 1.00 0.00 O ATOM 227 CB CYS A 17 -20.517 -2.559 5.006 1.00 0.00 C ATOM 228 SG CYS A 17 -20.672 -4.206 5.767 1.00 0.00 S ATOM 0 H CYS A 17 -19.807 -3.766 2.892 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.342 -2.546 3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.462 -2.336 4.851 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.903 -1.809 5.696 1.00 0.00 H new ATOM 233 N HIS A 18 -19.982 -0.694 2.370 1.00 0.00 N ATOM 234 CA HIS A 18 -19.576 0.679 1.973 1.00 0.00 C ATOM 235 C HIS A 18 -19.628 0.860 0.424 1.00 0.00 C ATOM 236 O HIS A 18 -19.040 0.089 -0.342 1.00 0.00 O ATOM 237 CB HIS A 18 -18.121 0.909 2.457 1.00 0.00 C ATOM 238 CG HIS A 18 -17.945 1.188 3.946 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.880 2.460 4.451 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.534 0.272 4.916 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.347 2.229 5.678 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.186 0.919 6.113 1.00 0.00 N ATOM 0 H HIS A 18 -19.325 -1.409 2.059 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.263 1.396 2.422 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.531 0.029 2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.702 1.747 1.899 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.157 3.342 4.021 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.489 -0.797 4.765 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.051 3.054 6.309 1.00 0.00 H new ATOM 250 N LYS A 19 -20.281 1.938 -0.025 1.00 0.00 N ATOM 251 CA LYS A 19 -20.500 2.209 -1.476 1.00 0.00 C ATOM 252 C LYS A 19 -19.509 3.286 -2.021 1.00 0.00 C ATOM 253 O LYS A 19 -19.464 4.425 -1.544 1.00 0.00 O ATOM 254 CB LYS A 19 -21.969 2.654 -1.718 1.00 0.00 C ATOM 255 CG LYS A 19 -23.093 1.645 -1.373 1.00 0.00 C ATOM 256 CD LYS A 19 -23.232 0.499 -2.393 1.00 0.00 C ATOM 257 CE LYS A 19 -24.281 -0.536 -1.961 1.00 0.00 C ATOM 258 NZ LYS A 19 -24.391 -1.599 -2.980 1.00 0.00 N ATOM 0 H LYS A 19 -20.675 2.650 0.590 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.309 1.284 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.144 3.562 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.070 2.921 -2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.898 1.221 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -24.041 2.179 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.508 0.910 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.268 0.007 -2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -24.002 -0.969 -1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.247 -0.051 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -25.103 -2.295 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -24.677 -1.181 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.471 -2.071 -3.090 1.00 0.00 H new ATOM 271 N LEU A 20 -18.770 2.946 -3.090 1.00 0.00 N ATOM 272 CA LEU A 20 -17.950 3.934 -3.859 1.00 0.00 C ATOM 273 C LEU A 20 -18.755 4.993 -4.683 1.00 0.00 C ATOM 274 O LEU A 20 -18.297 6.131 -4.800 1.00 0.00 O ATOM 275 CB LEU A 20 -16.963 3.172 -4.787 1.00 0.00 C ATOM 276 CG LEU A 20 -15.855 2.345 -4.086 1.00 0.00 C ATOM 277 CD1 LEU A 20 -15.202 1.381 -5.085 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.771 3.232 -3.444 1.00 0.00 C ATOM 0 H LEU A 20 -18.715 1.994 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.422 4.519 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.541 2.500 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.483 3.897 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.338 1.785 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.425 0.806 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.957 0.702 -5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.759 1.949 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.020 2.602 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.297 3.842 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.227 3.881 -2.697 1.00 0.00 H new ATOM 290 N ASP A 21 -19.943 4.676 -5.236 1.00 0.00 N ATOM 291 CA ASP A 21 -20.737 5.647 -6.056 1.00 0.00 C ATOM 292 C ASP A 21 -21.548 6.687 -5.196 1.00 0.00 C ATOM 293 O ASP A 21 -22.764 6.827 -5.343 1.00 0.00 O ATOM 294 CB ASP A 21 -21.629 4.835 -7.042 1.00 0.00 C ATOM 295 CG ASP A 21 -20.891 3.986 -8.082 1.00 0.00 C ATOM 296 OD1 ASP A 21 -20.544 4.705 -9.191 1.00 0.00 O ATOM 297 OD2 ASP A 21 -20.642 2.795 -7.919 1.00 0.00 O ATOM 0 H ASP A 21 -20.383 3.761 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.049 6.274 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.273 4.178 -6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.279 5.533 -7.569 1.00 0.00 H new ATOM 302 N GLY A 22 -20.860 7.424 -4.300 1.00 0.00 N ATOM 303 CA GLY A 22 -21.479 8.445 -3.403 1.00 0.00 C ATOM 304 C GLY A 22 -22.710 8.087 -2.520 1.00 0.00 C ATOM 305 O GLY A 22 -23.541 8.962 -2.279 1.00 0.00 O ATOM 0 H GLY A 22 -19.852 7.333 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.696 8.800 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.768 9.289 -4.029 1.00 0.00 H new ATOM 309 N ASN A 23 -22.824 6.836 -2.040 1.00 0.00 N ATOM 310 CA ASN A 23 -24.019 6.345 -1.290 1.00 0.00 C ATOM 311 C ASN A 23 -23.658 5.891 0.164 1.00 0.00 C ATOM 312 O ASN A 23 -22.592 5.330 0.435 1.00 0.00 O ATOM 313 CB ASN A 23 -24.696 5.205 -2.109 1.00 0.00 C ATOM 314 CG ASN A 23 -25.737 5.675 -3.129 1.00 0.00 C ATOM 315 OD1 ASN A 23 -26.927 5.735 -2.843 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.361 6.022 -4.335 1.00 0.00 N ATOM 0 H ASN A 23 -22.098 6.129 -2.155 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.726 7.166 -1.173 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -23.922 4.645 -2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.175 4.514 -1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -26.054 6.335 -5.015 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.375 5.980 -4.594 1.00 0.00 H new ATOM 323 N ASP A 24 -24.579 6.142 1.108 1.00 0.00 N ATOM 324 CA ASP A 24 -24.340 5.938 2.565 1.00 0.00 C ATOM 325 C ASP A 24 -25.444 4.988 3.123 1.00 0.00 C ATOM 326 O ASP A 24 -26.616 5.374 3.192 1.00 0.00 O ATOM 327 CB ASP A 24 -24.336 7.333 3.255 1.00 0.00 C ATOM 328 CG ASP A 24 -23.107 8.193 2.947 1.00 0.00 C ATOM 329 OD1 ASP A 24 -23.242 8.911 1.797 1.00 0.00 O ATOM 330 OD2 ASP A 24 -22.096 8.207 3.640 1.00 0.00 O ATOM 0 H ASP A 24 -25.513 6.492 0.894 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.377 5.466 2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.230 7.877 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -24.402 7.190 4.334 1.00 0.00 H new ATOM 335 N GLY A 25 -25.083 3.741 3.482 1.00 0.00 N ATOM 336 CA GLY A 25 -26.080 2.690 3.837 1.00 0.00 C ATOM 337 C GLY A 25 -25.785 1.976 5.163 1.00 0.00 C ATOM 338 O GLY A 25 -26.172 2.455 6.230 1.00 0.00 O ATOM 0 H GLY A 25 -24.113 3.429 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.069 3.145 3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.114 1.950 3.037 1.00 0.00 H new ATOM 342 N VAL A 26 -25.094 0.831 5.087 1.00 0.00 N ATOM 343 CA VAL A 26 -24.558 0.124 6.299 1.00 0.00 C ATOM 344 C VAL A 26 -23.278 0.850 6.840 1.00 0.00 C ATOM 345 O VAL A 26 -23.275 1.265 8.000 1.00 0.00 O ATOM 346 CB VAL A 26 -24.359 -1.412 6.046 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.811 -2.182 7.273 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.638 -2.154 5.588 1.00 0.00 C ATOM 0 H VAL A 26 -24.883 0.360 4.207 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.304 0.181 7.092 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.625 -1.415 5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.700 -3.237 7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.841 -1.773 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.505 -2.079 8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.412 -3.209 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.409 -2.055 6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.995 -1.721 4.653 1.00 0.00 H new ATOM 358 N GLY A 27 -22.227 1.029 6.017 1.00 0.00 N ATOM 359 CA GLY A 27 -21.195 2.067 6.259 1.00 0.00 C ATOM 360 C GLY A 27 -21.296 3.319 5.327 1.00 0.00 C ATOM 361 O GLY A 27 -22.010 3.277 4.315 1.00 0.00 O ATOM 0 H GLY A 27 -22.066 0.471 5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.266 2.396 7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.210 1.617 6.134 1.00 0.00 H new ATOM 365 N PRO A 28 -20.579 4.449 5.598 1.00 0.00 N ATOM 366 CA PRO A 28 -20.578 5.639 4.696 1.00 0.00 C ATOM 367 C PRO A 28 -19.838 5.469 3.326 1.00 0.00 C ATOM 368 O PRO A 28 -19.210 4.444 3.047 1.00 0.00 O ATOM 369 CB PRO A 28 -19.940 6.708 5.610 1.00 0.00 C ATOM 370 CG PRO A 28 -19.037 5.930 6.562 1.00 0.00 C ATOM 371 CD PRO A 28 -19.832 4.664 6.854 1.00 0.00 C ATOM 0 HA PRO A 28 -21.577 5.880 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.369 7.433 5.030 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.701 7.265 6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.074 5.702 6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.833 6.494 7.472 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.180 3.822 7.086 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.501 4.794 7.705 1.00 0.00 H new ATOM 379 N HIS A 29 -19.890 6.493 2.456 1.00 0.00 N ATOM 380 CA HIS A 29 -19.244 6.427 1.115 1.00 0.00 C ATOM 381 C HIS A 29 -17.683 6.554 1.179 1.00 0.00 C ATOM 382 O HIS A 29 -17.149 7.629 1.472 1.00 0.00 O ATOM 383 CB HIS A 29 -19.942 7.404 0.127 1.00 0.00 C ATOM 384 CG HIS A 29 -19.746 8.913 0.288 1.00 0.00 C ATOM 385 ND1 HIS A 29 -20.552 9.726 1.075 1.00 0.00 N ATOM 386 CD2 HIS A 29 -18.831 9.683 -0.448 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.016 10.947 0.743 1.00 0.00 C ATOM 388 NE2 HIS A 29 -18.978 11.022 -0.146 1.00 0.00 N ATOM 0 H HIS A 29 -20.367 7.374 2.647 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.395 5.427 0.709 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.616 7.139 -0.879 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.013 7.208 0.177 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -21.314 9.488 1.710 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.114 9.284 -1.151 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.414 11.849 1.184 1.00 0.00 H new ATOM 396 N LEU A 30 -16.941 5.463 0.906 1.00 0.00 N ATOM 397 CA LEU A 30 -15.436 5.488 0.911 1.00 0.00 C ATOM 398 C LEU A 30 -14.711 6.198 -0.286 1.00 0.00 C ATOM 399 O LEU A 30 -13.499 6.418 -0.218 1.00 0.00 O ATOM 400 CB LEU A 30 -14.876 4.055 1.142 1.00 0.00 C ATOM 401 CG LEU A 30 -15.128 3.428 2.536 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.680 1.958 2.562 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.440 4.168 3.697 1.00 0.00 C ATOM 0 H LEU A 30 -17.340 4.552 0.679 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.195 6.145 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.307 3.395 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.800 4.078 0.968 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.204 3.513 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.866 1.538 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.240 1.394 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.615 1.898 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.668 3.664 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.362 4.170 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.802 5.195 3.739 1.00 0.00 H new ATOM 415 N ASN A 31 -15.440 6.634 -1.327 1.00 0.00 N ATOM 416 CA ASN A 31 -14.949 7.631 -2.312 1.00 0.00 C ATOM 417 C ASN A 31 -14.742 9.035 -1.642 1.00 0.00 C ATOM 418 O ASN A 31 -15.657 9.590 -1.022 1.00 0.00 O ATOM 419 CB ASN A 31 -15.989 7.620 -3.456 1.00 0.00 C ATOM 420 CG ASN A 31 -15.643 8.451 -4.687 1.00 0.00 C ATOM 421 OD1 ASN A 31 -14.606 8.274 -5.315 1.00 0.00 O ATOM 422 ND2 ASN A 31 -16.512 9.341 -5.100 1.00 0.00 N ATOM 0 H ASN A 31 -16.388 6.309 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.963 7.387 -2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.141 6.588 -3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.940 7.975 -3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.324 9.884 -5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.376 9.490 -4.579 1.00 0.00 H new ATOM 429 N GLY A 32 -13.508 9.548 -1.698 1.00 0.00 N ATOM 430 CA GLY A 32 -13.106 10.770 -0.947 1.00 0.00 C ATOM 431 C GLY A 32 -12.828 10.640 0.571 1.00 0.00 C ATOM 432 O GLY A 32 -13.044 11.611 1.297 1.00 0.00 O ATOM 0 H GLY A 32 -12.757 9.142 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.207 11.168 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.891 11.515 -1.079 1.00 0.00 H new ATOM 436 N VAL A 33 -12.349 9.481 1.058 1.00 0.00 N ATOM 437 CA VAL A 33 -12.022 9.273 2.507 1.00 0.00 C ATOM 438 C VAL A 33 -10.589 9.720 2.972 1.00 0.00 C ATOM 439 O VAL A 33 -10.444 10.118 4.131 1.00 0.00 O ATOM 440 CB VAL A 33 -12.412 7.815 2.935 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.473 6.708 2.404 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.552 7.650 4.466 1.00 0.00 C ATOM 0 H VAL A 33 -12.174 8.661 0.477 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.642 9.978 3.060 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.384 7.680 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.823 5.736 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.471 6.724 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.462 6.882 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.823 6.620 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.604 7.893 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.328 8.321 4.835 1.00 0.00 H new ATOM 452 N VAL A 34 -9.536 9.646 2.130 1.00 0.00 N ATOM 453 CA VAL A 34 -8.125 9.919 2.557 1.00 0.00 C ATOM 454 C VAL A 34 -7.920 11.455 2.805 1.00 0.00 C ATOM 455 O VAL A 34 -8.048 12.271 1.887 1.00 0.00 O ATOM 456 CB VAL A 34 -7.071 9.314 1.564 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.618 9.450 2.084 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.280 7.815 1.247 1.00 0.00 C ATOM 0 H VAL A 34 -9.626 9.399 1.144 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.952 9.407 3.503 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.226 9.902 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.930 9.016 1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.379 10.504 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.521 8.926 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.509 7.479 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.217 7.236 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.261 7.672 0.795 1.00 0.00 H new ATOM 468 N GLY A 35 -7.651 11.835 4.066 1.00 0.00 N ATOM 469 CA GLY A 35 -7.760 13.253 4.516 1.00 0.00 C ATOM 470 C GLY A 35 -9.118 13.763 5.073 1.00 0.00 C ATOM 471 O GLY A 35 -9.156 14.886 5.578 1.00 0.00 O ATOM 0 H GLY A 35 -7.356 11.189 4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.007 13.412 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.491 13.888 3.672 1.00 0.00 H new ATOM 475 N ARG A 36 -10.217 12.988 5.003 1.00 0.00 N ATOM 476 CA ARG A 36 -11.560 13.424 5.476 1.00 0.00 C ATOM 477 C ARG A 36 -11.728 13.233 7.015 1.00 0.00 C ATOM 478 O ARG A 36 -11.212 12.281 7.607 1.00 0.00 O ATOM 479 CB ARG A 36 -12.619 12.640 4.649 1.00 0.00 C ATOM 480 CG ARG A 36 -14.092 13.100 4.830 1.00 0.00 C ATOM 481 CD ARG A 36 -15.088 12.489 3.825 1.00 0.00 C ATOM 482 NE ARG A 36 -15.355 11.050 4.110 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.842 10.167 3.237 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.028 10.417 1.966 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.151 8.981 3.664 1.00 0.00 N ATOM 0 H ARG A 36 -10.207 12.043 4.619 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.692 14.494 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.360 12.720 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.552 11.585 4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.415 12.847 5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.132 14.186 4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.025 13.045 3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.693 12.591 2.814 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.148 10.713 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.796 11.335 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.405 9.694 1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.020 8.743 4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.525 8.287 3.017 1.00 0.00 H new ATOM 499 N THR A 37 -12.486 14.134 7.658 1.00 0.00 N ATOM 500 CA THR A 37 -12.702 14.123 9.136 1.00 0.00 C ATOM 501 C THR A 37 -13.387 12.820 9.675 1.00 0.00 C ATOM 502 O THR A 37 -14.223 12.200 9.005 1.00 0.00 O ATOM 503 CB THR A 37 -13.429 15.456 9.506 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.674 16.579 9.048 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.649 15.700 11.007 1.00 0.00 C ATOM 0 H THR A 37 -12.971 14.894 7.181 1.00 0.00 H new ATOM 0 HA THR A 37 -11.743 14.086 9.653 1.00 0.00 H new ATOM 0 HB THR A 37 -14.402 15.351 9.026 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.733 16.463 9.295 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.161 16.652 11.150 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.257 14.896 11.421 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.686 15.726 11.516 1.00 0.00 H new ATOM 513 N VAL A 38 -13.021 12.404 10.903 1.00 0.00 N ATOM 514 CA VAL A 38 -13.662 11.244 11.597 1.00 0.00 C ATOM 515 C VAL A 38 -15.133 11.624 11.997 1.00 0.00 C ATOM 516 O VAL A 38 -15.363 12.640 12.660 1.00 0.00 O ATOM 517 CB VAL A 38 -12.800 10.740 12.808 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.395 9.464 13.446 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.328 10.398 12.472 1.00 0.00 C ATOM 0 H VAL A 38 -12.282 12.850 11.446 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.712 10.397 10.913 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.820 11.594 13.486 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.769 9.148 14.280 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.402 9.673 13.807 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.435 8.669 12.701 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.818 10.060 13.374 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.300 9.608 11.722 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.828 11.285 12.083 1.00 0.00 H new ATOM 529 N ALA A 39 -16.119 10.847 11.504 1.00 0.00 N ATOM 530 CA ALA A 39 -17.546 11.289 11.397 1.00 0.00 C ATOM 531 C ALA A 39 -17.896 12.451 10.391 1.00 0.00 C ATOM 532 O ALA A 39 -18.965 13.062 10.488 1.00 0.00 O ATOM 533 CB ALA A 39 -18.189 11.456 12.792 1.00 0.00 C ATOM 0 H ALA A 39 -15.961 9.897 11.167 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.024 10.453 10.886 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.224 11.778 12.679 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.160 10.504 13.322 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.637 12.204 13.360 1.00 0.00 H new ATOM 539 N GLY A 40 -17.061 12.713 9.367 1.00 0.00 N ATOM 540 CA GLY A 40 -17.236 13.859 8.434 1.00 0.00 C ATOM 541 C GLY A 40 -17.987 13.564 7.123 1.00 0.00 C ATOM 542 O GLY A 40 -17.483 13.843 6.033 1.00 0.00 O ATOM 0 H GLY A 40 -16.244 12.140 9.157 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.767 14.651 8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.250 14.249 8.183 1.00 0.00 H new ATOM 546 N VAL A 41 -19.214 13.049 7.251 1.00 0.00 N ATOM 547 CA VAL A 41 -20.204 12.990 6.131 1.00 0.00 C ATOM 548 C VAL A 41 -21.579 13.471 6.698 1.00 0.00 C ATOM 549 O VAL A 41 -22.160 12.823 7.575 1.00 0.00 O ATOM 550 CB VAL A 41 -20.318 11.578 5.447 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.328 11.564 4.274 1.00 0.00 C ATOM 552 CG2 VAL A 41 -18.987 11.032 4.881 1.00 0.00 C ATOM 0 H VAL A 41 -19.564 12.658 8.126 1.00 0.00 H new ATOM 0 HA VAL A 41 -19.860 13.643 5.329 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.652 10.941 6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.366 10.565 3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.317 11.838 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.013 12.279 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.158 10.055 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.603 11.719 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.261 10.936 5.688 1.00 0.00 H new ATOM 562 N ASP A 42 -22.146 14.557 6.135 1.00 0.00 N ATOM 563 CA ASP A 42 -23.589 14.890 6.342 1.00 0.00 C ATOM 564 C ASP A 42 -24.453 14.057 5.339 1.00 0.00 C ATOM 565 O ASP A 42 -24.414 14.276 4.125 1.00 0.00 O ATOM 566 CB ASP A 42 -23.805 16.421 6.202 1.00 0.00 C ATOM 567 CG ASP A 42 -23.335 17.285 7.377 1.00 0.00 C ATOM 568 OD1 ASP A 42 -22.063 16.981 7.770 1.00 0.00 O ATOM 569 OD2 ASP A 42 -24.030 18.154 7.893 1.00 0.00 O ATOM 0 H ASP A 42 -21.644 15.216 5.540 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.906 14.622 7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.290 16.758 5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.868 16.603 6.048 1.00 0.00 H new ATOM 574 N GLY A 43 -25.149 13.039 5.863 1.00 0.00 N ATOM 575 CA GLY A 43 -25.655 11.908 5.038 1.00 0.00 C ATOM 576 C GLY A 43 -25.721 10.558 5.786 1.00 0.00 C ATOM 577 O GLY A 43 -26.760 9.899 5.759 1.00 0.00 O ATOM 0 H GLY A 43 -25.380 12.966 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -26.651 12.157 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.014 11.795 4.164 1.00 0.00 H new ATOM 581 N PHE A 44 -24.620 10.144 6.441 1.00 0.00 N ATOM 582 CA PHE A 44 -24.615 8.950 7.329 1.00 0.00 C ATOM 583 C PHE A 44 -24.868 9.342 8.826 1.00 0.00 C ATOM 584 O PHE A 44 -24.262 10.279 9.356 1.00 0.00 O ATOM 585 CB PHE A 44 -23.259 8.218 7.124 1.00 0.00 C ATOM 586 CG PHE A 44 -23.181 6.828 7.780 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.729 5.709 7.145 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.627 6.687 9.056 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.733 4.474 7.785 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.629 5.450 9.694 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.183 4.344 9.058 1.00 0.00 C ATOM 0 H PHE A 44 -23.718 10.615 6.376 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.433 8.278 7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.075 8.113 6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.460 8.841 7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.150 5.804 6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.194 7.544 9.550 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.164 3.614 7.294 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.201 5.349 10.681 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.187 3.383 9.552 1.00 0.00 H new ATOM 601 N ASN A 45 -25.720 8.566 9.523 1.00 0.00 N ATOM 602 CA ASN A 45 -25.924 8.707 10.991 1.00 0.00 C ATOM 603 C ASN A 45 -24.808 7.950 11.788 1.00 0.00 C ATOM 604 O ASN A 45 -24.868 6.729 11.961 1.00 0.00 O ATOM 605 CB ASN A 45 -27.361 8.202 11.294 1.00 0.00 C ATOM 606 CG ASN A 45 -27.838 8.458 12.724 1.00 0.00 C ATOM 607 OD1 ASN A 45 -27.926 9.589 13.186 1.00 0.00 O ATOM 608 ND2 ASN A 45 -28.185 7.436 13.463 1.00 0.00 N ATOM 0 H ASN A 45 -26.284 7.830 9.097 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.837 9.744 11.315 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -28.054 8.682 10.603 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.405 7.131 11.097 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -28.525 7.586 14.413 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -28.116 6.490 13.089 1.00 0.00 H new ATOM 615 N TYR A 46 -23.789 8.683 12.264 1.00 0.00 N ATOM 616 CA TYR A 46 -22.615 8.092 12.964 1.00 0.00 C ATOM 617 C TYR A 46 -22.867 7.729 14.467 1.00 0.00 C ATOM 618 O TYR A 46 -23.707 8.323 15.150 1.00 0.00 O ATOM 619 CB TYR A 46 -21.416 9.078 12.816 1.00 0.00 C ATOM 620 CG TYR A 46 -20.764 9.115 11.424 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.823 8.144 11.071 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.103 10.109 10.500 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.230 8.163 9.813 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.506 10.128 9.241 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.565 9.159 8.900 1.00 0.00 C ATOM 626 OH TYR A 46 -18.938 9.209 7.685 1.00 0.00 O ATOM 0 H TYR A 46 -23.746 9.699 12.180 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.398 7.134 12.490 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.760 10.082 13.065 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.655 8.811 13.549 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.555 7.374 11.779 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.829 10.864 10.763 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.509 7.405 9.544 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.773 10.895 8.529 1.00 0.00 H new ATOM 0 HH TYR A 46 -19.602 9.117 6.970 1.00 0.00 H new ATOM 636 N SER A 47 -22.080 6.770 14.998 1.00 0.00 N ATOM 637 CA SER A 47 -22.062 6.463 16.457 1.00 0.00 C ATOM 638 C SER A 47 -21.405 7.585 17.325 1.00 0.00 C ATOM 639 O SER A 47 -20.461 8.255 16.890 1.00 0.00 O ATOM 640 CB SER A 47 -21.368 5.094 16.682 1.00 0.00 C ATOM 641 OG SER A 47 -19.945 5.158 16.531 1.00 0.00 O ATOM 0 H SER A 47 -21.447 6.192 14.445 1.00 0.00 H new ATOM 0 HA SER A 47 -23.097 6.413 16.794 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.606 4.732 17.682 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.771 4.368 15.976 1.00 0.00 H new ATOM 0 HG SER A 47 -19.714 5.094 15.581 1.00 0.00 H new ATOM 647 N ASP A 48 -21.874 7.760 18.575 1.00 0.00 N ATOM 648 CA ASP A 48 -21.295 8.761 19.523 1.00 0.00 C ATOM 649 C ASP A 48 -19.743 8.652 19.783 1.00 0.00 C ATOM 650 O ASP A 48 -19.106 9.705 19.684 1.00 0.00 O ATOM 651 CB ASP A 48 -22.130 8.834 20.830 1.00 0.00 C ATOM 652 CG ASP A 48 -23.548 9.379 20.655 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.818 10.574 20.615 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.473 8.388 20.529 1.00 0.00 O ATOM 0 H ASP A 48 -22.652 7.226 18.962 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.377 9.718 19.007 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.190 7.835 21.262 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.601 9.461 21.548 1.00 0.00 H new ATOM 659 N PRO A 49 -19.070 7.484 20.021 1.00 0.00 N ATOM 660 CA PRO A 49 -17.579 7.392 20.016 1.00 0.00 C ATOM 661 C PRO A 49 -16.806 7.719 18.698 1.00 0.00 C ATOM 662 O PRO A 49 -15.693 8.240 18.773 1.00 0.00 O ATOM 663 CB PRO A 49 -17.328 5.955 20.516 1.00 0.00 C ATOM 664 CG PRO A 49 -18.626 5.535 21.209 1.00 0.00 C ATOM 665 CD PRO A 49 -19.713 6.204 20.373 1.00 0.00 C ATOM 0 HA PRO A 49 -17.169 8.188 20.637 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -17.090 5.287 19.688 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.485 5.920 21.206 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.741 4.451 21.222 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.654 5.871 22.246 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.970 5.618 19.491 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.634 6.350 20.938 1.00 0.00 H new ATOM 673 N MET A 50 -17.387 7.461 17.511 1.00 0.00 N ATOM 674 CA MET A 50 -16.900 8.049 16.226 1.00 0.00 C ATOM 675 C MET A 50 -17.061 9.607 16.118 1.00 0.00 C ATOM 676 O MET A 50 -16.121 10.284 15.694 1.00 0.00 O ATOM 677 CB MET A 50 -17.589 7.271 15.071 1.00 0.00 C ATOM 678 CG MET A 50 -16.985 7.496 13.670 1.00 0.00 C ATOM 679 SD MET A 50 -15.326 6.798 13.554 1.00 0.00 S ATOM 680 CE MET A 50 -15.712 5.118 13.038 1.00 0.00 C ATOM 0 H MET A 50 -18.196 6.849 17.404 1.00 0.00 H new ATOM 0 HA MET A 50 -15.818 7.927 16.167 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.549 6.206 15.299 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.642 7.552 15.044 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.628 7.040 12.917 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.949 8.564 13.454 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.808 4.635 12.667 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.101 4.557 13.888 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.461 5.143 12.247 1.00 0.00 H new ATOM 690 N LYS A 51 -18.213 10.176 16.526 1.00 0.00 N ATOM 691 CA LYS A 51 -18.413 11.656 16.617 1.00 0.00 C ATOM 692 C LYS A 51 -17.499 12.382 17.662 1.00 0.00 C ATOM 693 O LYS A 51 -16.878 13.392 17.324 1.00 0.00 O ATOM 694 CB LYS A 51 -19.918 11.976 16.847 1.00 0.00 C ATOM 695 CG LYS A 51 -20.878 11.565 15.703 1.00 0.00 C ATOM 696 CD LYS A 51 -22.342 12.042 15.837 1.00 0.00 C ATOM 697 CE LYS A 51 -23.171 11.418 16.977 1.00 0.00 C ATOM 698 NZ LYS A 51 -23.026 12.182 18.234 1.00 0.00 N ATOM 0 H LYS A 51 -19.033 9.636 16.803 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.094 12.063 15.657 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.240 11.479 17.762 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.020 13.048 17.014 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.477 11.949 14.765 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.877 10.478 15.629 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.337 13.124 15.973 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.853 11.841 14.895 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.222 11.386 16.689 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.853 10.388 17.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.233 11.562 19.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.053 12.540 18.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.690 12.982 18.232 1.00 0.00 H new ATOM 711 N ALA A 52 -17.376 11.861 18.898 1.00 0.00 N ATOM 712 CA ALA A 52 -16.400 12.367 19.903 1.00 0.00 C ATOM 713 C ALA A 52 -14.904 11.889 19.785 1.00 0.00 C ATOM 714 O ALA A 52 -14.145 12.054 20.745 1.00 0.00 O ATOM 715 CB ALA A 52 -17.031 11.992 21.261 1.00 0.00 C ATOM 0 H ALA A 52 -17.943 11.082 19.234 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.262 13.437 19.746 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.380 12.326 22.069 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.004 12.474 21.356 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.155 10.911 21.318 1.00 0.00 H new ATOM 721 N HIS A 53 -14.444 11.361 18.631 1.00 0.00 N ATOM 722 CA HIS A 53 -13.030 10.928 18.438 1.00 0.00 C ATOM 723 C HIS A 53 -12.020 12.111 18.240 1.00 0.00 C ATOM 724 O HIS A 53 -11.082 12.239 19.031 1.00 0.00 O ATOM 725 CB HIS A 53 -13.013 9.871 17.296 1.00 0.00 C ATOM 726 CG HIS A 53 -11.710 9.083 17.168 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.745 9.337 16.204 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.336 7.995 17.974 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.848 8.351 16.527 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.114 7.496 17.565 1.00 0.00 N ATOM 0 H HIS A 53 -15.031 11.221 17.809 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.662 10.469 19.356 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.831 9.169 17.458 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.210 10.376 16.350 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.919 7.605 18.795 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.932 8.248 15.964 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.567 6.716 17.930 1.00 0.00 H new ATOM 738 N GLY A 54 -12.194 12.952 17.200 1.00 0.00 N ATOM 739 CA GLY A 54 -11.279 14.093 16.928 1.00 0.00 C ATOM 740 C GLY A 54 -10.062 13.748 16.051 1.00 0.00 C ATOM 741 O GLY A 54 -9.000 13.378 16.557 1.00 0.00 O ATOM 0 H GLY A 54 -12.959 12.867 16.531 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.846 14.887 16.443 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.923 14.490 17.879 1.00 0.00 H new ATOM 745 N GLY A 55 -10.219 13.909 14.736 1.00 0.00 N ATOM 746 CA GLY A 55 -9.126 13.647 13.768 1.00 0.00 C ATOM 747 C GLY A 55 -9.540 13.669 12.281 1.00 0.00 C ATOM 748 O GLY A 55 -10.690 13.937 11.919 1.00 0.00 O ATOM 0 H GLY A 55 -11.090 14.220 14.306 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.343 14.389 13.921 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.691 12.673 13.992 1.00 0.00 H new ATOM 752 N ASP A 56 -8.570 13.348 11.413 1.00 0.00 N ATOM 753 CA ASP A 56 -8.803 13.171 9.948 1.00 0.00 C ATOM 754 C ASP A 56 -8.157 11.840 9.448 1.00 0.00 C ATOM 755 O ASP A 56 -7.142 11.369 9.979 1.00 0.00 O ATOM 756 CB ASP A 56 -8.270 14.387 9.141 1.00 0.00 C ATOM 757 CG ASP A 56 -8.943 15.736 9.426 1.00 0.00 C ATOM 758 OD1 ASP A 56 -10.099 16.014 9.115 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.112 16.597 10.075 1.00 0.00 O ATOM 0 H ASP A 56 -7.600 13.201 11.692 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.879 13.113 9.782 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.203 14.488 9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.378 14.168 8.079 1.00 0.00 H new ATOM 764 N TRP A 57 -8.740 11.230 8.399 1.00 0.00 N ATOM 765 CA TRP A 57 -8.355 9.864 7.944 1.00 0.00 C ATOM 766 C TRP A 57 -7.086 9.843 7.035 1.00 0.00 C ATOM 767 O TRP A 57 -7.137 9.652 5.818 1.00 0.00 O ATOM 768 CB TRP A 57 -9.595 9.170 7.310 1.00 0.00 C ATOM 769 CG TRP A 57 -10.640 8.629 8.299 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.978 9.067 8.412 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.483 7.664 9.285 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.664 8.377 9.427 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.718 7.532 9.966 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.340 6.949 9.733 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.815 6.713 11.114 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.457 6.160 10.876 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.673 6.052 11.561 1.00 0.00 C ATOM 0 H TRP A 57 -9.482 11.656 7.844 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.047 9.283 8.814 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.086 9.882 6.646 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.247 8.343 6.690 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.419 9.836 7.796 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.641 8.479 9.702 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.403 7.015 9.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.755 6.602 11.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.594 5.622 11.240 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.727 5.445 12.453 1.00 0.00 H new ATOM 788 N THR A 58 -5.926 9.998 7.681 1.00 0.00 N ATOM 789 CA THR A 58 -4.582 9.889 7.044 1.00 0.00 C ATOM 790 C THR A 58 -4.170 8.404 6.712 1.00 0.00 C ATOM 791 O THR A 58 -4.715 7.484 7.334 1.00 0.00 O ATOM 792 CB THR A 58 -3.529 10.573 7.983 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.512 9.988 9.281 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.714 12.090 8.168 1.00 0.00 C ATOM 0 H THR A 58 -5.879 10.207 8.678 1.00 0.00 H new ATOM 0 HA THR A 58 -4.619 10.400 6.082 1.00 0.00 H new ATOM 0 HB THR A 58 -2.587 10.406 7.460 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.842 10.441 9.835 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.940 12.473 8.833 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.639 12.586 7.200 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.694 12.287 8.602 1.00 0.00 H new ATOM 802 N PRO A 59 -3.197 8.094 5.796 1.00 0.00 N ATOM 803 CA PRO A 59 -2.674 6.701 5.609 1.00 0.00 C ATOM 804 C PRO A 59 -2.211 5.913 6.878 1.00 0.00 C ATOM 805 O PRO A 59 -2.573 4.746 7.051 1.00 0.00 O ATOM 806 CB PRO A 59 -1.549 6.905 4.574 1.00 0.00 C ATOM 807 CG PRO A 59 -1.197 8.392 4.599 1.00 0.00 C ATOM 808 CD PRO A 59 -2.514 9.085 4.937 1.00 0.00 C ATOM 0 HA PRO A 59 -3.479 6.038 5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.679 6.297 4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.877 6.601 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.431 8.607 5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.808 8.725 3.637 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.352 10.028 5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.093 9.311 4.042 1.00 0.00 H new ATOM 816 N GLU A 60 -1.461 6.577 7.770 1.00 0.00 N ATOM 817 CA GLU A 60 -1.215 6.100 9.165 1.00 0.00 C ATOM 818 C GLU A 60 -2.488 5.796 10.036 1.00 0.00 C ATOM 819 O GLU A 60 -2.627 4.669 10.518 1.00 0.00 O ATOM 820 CB GLU A 60 -0.143 6.980 9.864 1.00 0.00 C ATOM 821 CG GLU A 60 -0.540 8.437 10.205 1.00 0.00 C ATOM 822 CD GLU A 60 0.571 9.247 10.864 1.00 0.00 C ATOM 823 OE1 GLU A 60 0.724 8.929 12.184 1.00 0.00 O ATOM 824 OE2 GLU A 60 1.238 10.087 10.267 1.00 0.00 O ATOM 0 H GLU A 60 -1.001 7.462 7.557 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.803 5.096 9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.151 6.484 10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.739 7.011 9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.849 8.942 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.405 8.421 10.868 1.00 0.00 H new ATOM 831 N ALA A 61 -3.434 6.747 10.191 1.00 0.00 N ATOM 832 CA ALA A 61 -4.729 6.498 10.888 1.00 0.00 C ATOM 833 C ALA A 61 -5.648 5.395 10.265 1.00 0.00 C ATOM 834 O ALA A 61 -6.163 4.549 11.002 1.00 0.00 O ATOM 835 CB ALA A 61 -5.452 7.854 11.009 1.00 0.00 C ATOM 0 H ALA A 61 -3.331 7.700 9.844 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.496 6.074 11.865 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.407 7.713 11.515 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.835 8.545 11.583 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.626 8.264 10.014 1.00 0.00 H new ATOM 841 N LEU A 62 -5.811 5.365 8.927 1.00 0.00 N ATOM 842 CA LEU A 62 -6.474 4.244 8.203 1.00 0.00 C ATOM 843 C LEU A 62 -5.808 2.841 8.399 1.00 0.00 C ATOM 844 O LEU A 62 -6.528 1.906 8.746 1.00 0.00 O ATOM 845 CB LEU A 62 -6.592 4.610 6.693 1.00 0.00 C ATOM 846 CG LEU A 62 -7.602 5.728 6.315 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.333 6.242 4.892 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.061 5.246 6.412 1.00 0.00 C ATOM 0 H LEU A 62 -5.490 6.113 8.312 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.462 4.131 8.648 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.606 4.911 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.865 3.708 6.146 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.460 6.536 7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.051 7.024 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.322 6.646 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.435 5.420 4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.732 6.060 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.213 4.407 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.272 4.929 7.433 1.00 0.00 H new ATOM 860 N GLN A 63 -4.479 2.662 8.233 1.00 0.00 N ATOM 861 CA GLN A 63 -3.804 1.361 8.547 1.00 0.00 C ATOM 862 C GLN A 63 -3.817 0.905 10.049 1.00 0.00 C ATOM 863 O GLN A 63 -3.954 -0.292 10.322 1.00 0.00 O ATOM 864 CB GLN A 63 -2.407 1.296 7.876 1.00 0.00 C ATOM 865 CG GLN A 63 -1.269 2.090 8.560 1.00 0.00 C ATOM 866 CD GLN A 63 0.033 2.125 7.763 1.00 0.00 C ATOM 867 OE1 GLN A 63 0.911 1.285 7.923 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.193 3.083 6.881 1.00 0.00 N ATOM 0 H GLN A 63 -3.849 3.386 7.888 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.436 0.595 8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.105 0.250 7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.505 1.656 6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.606 3.113 8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.072 1.652 9.538 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.538 3.782 6.749 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.049 3.129 6.328 1.00 0.00 H new ATOM 877 N GLU A 64 -3.729 1.836 11.016 1.00 0.00 N ATOM 878 CA GLU A 64 -4.066 1.570 12.445 1.00 0.00 C ATOM 879 C GLU A 64 -5.549 1.106 12.672 1.00 0.00 C ATOM 880 O GLU A 64 -5.767 0.032 13.243 1.00 0.00 O ATOM 881 CB GLU A 64 -3.696 2.831 13.282 1.00 0.00 C ATOM 882 CG GLU A 64 -2.181 3.155 13.388 1.00 0.00 C ATOM 883 CD GLU A 64 -1.875 4.518 14.010 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.998 4.500 15.370 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.553 5.508 13.356 1.00 0.00 O ATOM 0 H GLU A 64 -3.424 2.793 10.840 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.475 0.719 12.784 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.202 3.693 12.848 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.092 2.703 14.290 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.696 2.380 13.981 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.742 3.116 12.391 1.00 0.00 H new ATOM 892 N PHE A 65 -6.556 1.868 12.196 1.00 0.00 N ATOM 893 CA PHE A 65 -7.988 1.459 12.230 1.00 0.00 C ATOM 894 C PHE A 65 -8.350 0.154 11.445 1.00 0.00 C ATOM 895 O PHE A 65 -9.097 -0.668 11.966 1.00 0.00 O ATOM 896 CB PHE A 65 -8.778 2.704 11.749 1.00 0.00 C ATOM 897 CG PHE A 65 -10.310 2.594 11.828 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.974 2.717 13.054 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.054 2.369 10.665 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.362 2.609 13.115 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.439 2.265 10.733 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.094 2.384 11.953 1.00 0.00 C ATOM 0 H PHE A 65 -6.406 2.785 11.776 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.256 1.163 13.244 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.463 3.563 12.342 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.500 2.911 10.716 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.408 2.896 13.956 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.552 2.276 9.713 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.870 2.700 14.064 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.009 2.091 9.832 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.170 2.302 11.999 1.00 0.00 H new ATOM 912 N LEU A 66 -7.831 -0.073 10.229 1.00 0.00 N ATOM 913 CA LEU A 66 -7.993 -1.377 9.518 1.00 0.00 C ATOM 914 C LEU A 66 -7.158 -2.578 10.088 1.00 0.00 C ATOM 915 O LEU A 66 -7.483 -3.722 9.771 1.00 0.00 O ATOM 916 CB LEU A 66 -7.740 -1.167 7.997 1.00 0.00 C ATOM 917 CG LEU A 66 -8.657 -0.159 7.248 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.188 0.017 5.794 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.141 -0.560 7.282 1.00 0.00 C ATOM 0 H LEU A 66 -7.294 0.620 9.707 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.022 -1.688 9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.708 -0.841 7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.832 -2.135 7.504 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.573 0.791 7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.841 0.726 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.165 0.394 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.225 -0.944 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.731 0.182 6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.265 -1.535 6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.480 -0.611 8.317 1.00 0.00 H new ATOM 931 N THR A 67 -6.143 -2.360 10.951 1.00 0.00 N ATOM 932 CA THR A 67 -5.559 -3.431 11.816 1.00 0.00 C ATOM 933 C THR A 67 -6.551 -3.891 12.946 1.00 0.00 C ATOM 934 O THR A 67 -6.867 -5.081 13.008 1.00 0.00 O ATOM 935 CB THR A 67 -4.161 -2.992 12.359 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.307 -2.547 11.309 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.384 -4.121 13.056 1.00 0.00 C ATOM 0 H THR A 67 -5.702 -1.449 11.074 1.00 0.00 H new ATOM 0 HA THR A 67 -5.399 -4.318 11.202 1.00 0.00 H new ATOM 0 HB THR A 67 -4.398 -2.200 13.070 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.380 -1.574 11.218 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.424 -3.740 13.406 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.960 -4.489 13.905 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.216 -4.936 12.352 1.00 0.00 H new ATOM 945 N ASN A 68 -7.043 -2.981 13.816 1.00 0.00 N ATOM 946 CA ASN A 68 -8.146 -3.288 14.772 1.00 0.00 C ATOM 947 C ASN A 68 -9.074 -2.024 14.907 1.00 0.00 C ATOM 948 O ASN A 68 -8.664 -1.068 15.583 1.00 0.00 O ATOM 949 CB ASN A 68 -7.556 -3.771 16.127 1.00 0.00 C ATOM 950 CG ASN A 68 -8.585 -4.289 17.149 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.684 -3.768 17.317 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.255 -5.309 17.902 1.00 0.00 N ATOM 0 H ASN A 68 -6.697 -2.024 13.881 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.765 -4.105 14.402 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.836 -4.565 15.928 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.005 -2.946 16.578 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.905 -5.653 18.608 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.348 -5.759 17.782 1.00 0.00 H new ATOM 959 N PRO A 69 -10.320 -1.967 14.341 1.00 0.00 N ATOM 960 CA PRO A 69 -11.179 -0.753 14.446 1.00 0.00 C ATOM 961 C PRO A 69 -11.818 -0.445 15.838 1.00 0.00 C ATOM 962 O PRO A 69 -11.923 0.730 16.202 1.00 0.00 O ATOM 963 CB PRO A 69 -12.177 -0.917 13.285 1.00 0.00 C ATOM 964 CG PRO A 69 -12.137 -2.380 12.850 1.00 0.00 C ATOM 965 CD PRO A 69 -10.829 -2.968 13.381 1.00 0.00 C ATOM 0 HA PRO A 69 -10.577 0.152 14.363 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.182 -0.638 13.601 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.911 -0.263 12.455 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -12.994 -2.924 13.247 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.184 -2.461 11.764 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.997 -3.930 13.866 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.117 -3.138 12.574 1.00 0.00 H new ATOM 973 N LYS A 70 -12.190 -1.474 16.622 1.00 0.00 N ATOM 974 CA LYS A 70 -12.620 -1.313 18.044 1.00 0.00 C ATOM 975 C LYS A 70 -11.538 -0.796 19.048 1.00 0.00 C ATOM 976 O LYS A 70 -11.868 -0.034 19.959 1.00 0.00 O ATOM 977 CB LYS A 70 -13.272 -2.623 18.573 1.00 0.00 C ATOM 978 CG LYS A 70 -14.568 -3.120 17.880 1.00 0.00 C ATOM 979 CD LYS A 70 -14.326 -4.158 16.764 1.00 0.00 C ATOM 980 CE LYS A 70 -15.642 -4.715 16.202 1.00 0.00 C ATOM 981 NZ LYS A 70 -15.363 -5.786 15.228 1.00 0.00 N ATOM 0 H LYS A 70 -12.205 -2.441 16.299 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.351 -0.506 18.004 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.530 -3.418 18.503 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.491 -2.484 19.632 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.225 -3.557 18.632 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.093 -2.263 17.457 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.754 -3.698 15.959 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.723 -4.977 17.155 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.258 -5.102 17.013 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.209 -3.916 15.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.240 -6.040 14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.658 -5.454 14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.994 -6.621 15.726 1.00 0.00 H new ATOM 994 N ALA A 71 -10.266 -1.189 18.886 1.00 0.00 N ATOM 995 CA ALA A 71 -9.127 -0.579 19.626 1.00 0.00 C ATOM 996 C ALA A 71 -8.823 0.926 19.311 1.00 0.00 C ATOM 997 O ALA A 71 -8.570 1.695 20.241 1.00 0.00 O ATOM 998 CB ALA A 71 -7.900 -1.478 19.387 1.00 0.00 C ATOM 0 H ALA A 71 -9.988 -1.933 18.245 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.406 -0.538 20.679 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.039 -1.066 19.914 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.106 -2.482 19.759 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.685 -1.523 18.319 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.854 1.353 18.031 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.646 2.785 17.640 1.00 0.00 C ATOM 1006 C VAL A 72 -9.892 3.686 17.947 1.00 0.00 C ATOM 1007 O VAL A 72 -9.733 4.700 18.634 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.109 2.878 16.168 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -7.985 4.321 15.617 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.719 2.220 16.004 1.00 0.00 C ATOM 0 H VAL A 72 -9.021 0.732 17.239 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.867 3.209 18.274 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.870 2.344 15.599 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.607 4.289 14.595 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.964 4.800 15.627 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.296 4.891 16.241 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.393 2.312 14.968 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.001 2.718 16.656 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.782 1.166 16.273 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.101 3.357 17.446 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.350 4.087 17.820 1.00 0.00 C ATOM 1022 C VAL A 73 -13.086 3.210 18.887 1.00 0.00 C ATOM 1023 O VAL A 73 -13.783 2.243 18.555 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.218 4.442 16.565 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.512 5.207 16.935 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.490 5.300 15.500 1.00 0.00 C ATOM 0 H VAL A 73 -11.248 2.595 16.784 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.127 5.060 18.257 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.442 3.462 16.144 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.076 5.428 16.029 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.120 4.593 17.600 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.253 6.139 17.437 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.166 5.497 14.668 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.177 6.244 15.945 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.614 4.763 15.137 1.00 0.00 H new ATOM 1036 N LYS A 74 -12.915 3.559 20.176 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.412 2.737 21.317 1.00 0.00 C ATOM 1038 C LYS A 74 -14.964 2.811 21.513 1.00 0.00 C ATOM 1039 O LYS A 74 -15.523 3.736 22.106 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.551 3.045 22.572 1.00 0.00 C ATOM 1041 CG LYS A 74 -12.753 4.435 23.212 1.00 0.00 C ATOM 1042 CD LYS A 74 -11.636 4.822 24.198 1.00 0.00 C ATOM 1043 CE LYS A 74 -11.875 6.208 24.817 1.00 0.00 C ATOM 1044 NZ LYS A 74 -10.789 6.539 25.758 1.00 0.00 N ATOM 0 H LYS A 74 -12.433 4.411 20.464 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.275 1.679 21.093 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.761 2.287 23.326 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.500 2.942 22.301 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.807 5.185 22.423 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.710 4.451 23.734 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.576 4.076 24.990 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.677 4.816 23.681 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.927 6.961 24.031 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.833 6.222 25.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.961 7.478 26.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.758 5.828 26.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.881 6.544 25.252 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.643 1.812 20.942 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.120 1.833 20.747 1.00 0.00 C ATOM 1059 C GLY A 75 -17.660 2.212 19.343 1.00 0.00 C ATOM 1060 O GLY A 75 -18.767 2.746 19.252 1.00 0.00 O ATOM 0 H GLY A 75 -15.198 0.961 20.598 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.505 0.845 20.998 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.543 2.532 21.468 1.00 0.00 H new ATOM 1064 N THR A 76 -16.944 1.878 18.255 1.00 0.00 N ATOM 1065 CA THR A 76 -17.490 1.947 16.866 1.00 0.00 C ATOM 1066 C THR A 76 -18.534 0.822 16.563 1.00 0.00 C ATOM 1067 O THR A 76 -18.330 -0.348 16.905 1.00 0.00 O ATOM 1068 CB THR A 76 -16.325 1.962 15.825 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.840 2.152 14.514 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.417 0.722 15.739 1.00 0.00 C ATOM 0 H THR A 76 -15.978 1.554 18.300 1.00 0.00 H new ATOM 0 HA THR A 76 -18.040 2.884 16.780 1.00 0.00 H new ATOM 0 HB THR A 76 -15.705 2.777 16.198 1.00 0.00 H new ATOM 0 HG1 THR A 76 -17.584 2.790 14.544 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.657 0.880 14.974 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.934 0.557 16.702 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.017 -0.151 15.480 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.614 1.165 15.840 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.529 0.144 15.235 1.00 0.00 C ATOM 1080 C LYS A 77 -20.047 -0.560 13.910 1.00 0.00 C ATOM 1081 O LYS A 77 -20.832 -1.280 13.286 1.00 0.00 O ATOM 1082 CB LYS A 77 -21.957 0.755 15.135 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.158 1.887 14.102 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.589 2.449 14.091 1.00 0.00 C ATOM 1085 CE LYS A 77 -23.724 3.618 13.107 1.00 0.00 C ATOM 1086 NZ LYS A 77 -25.096 4.154 13.144 1.00 0.00 N ATOM 0 H LYS A 77 -19.885 2.130 15.653 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.528 -0.707 15.916 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.655 -0.048 14.899 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.232 1.138 16.117 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.459 2.695 14.317 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.914 1.511 13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.289 1.659 13.819 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.858 2.782 15.093 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.012 4.403 13.362 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.483 3.284 12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.111 5.099 12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -25.730 3.521 12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.416 4.221 14.131 1.00 0.00 H new ATOM 1099 N MET A 78 -18.769 -0.416 13.496 1.00 0.00 N ATOM 1100 CA MET A 78 -18.190 -1.184 12.365 1.00 0.00 C ATOM 1101 C MET A 78 -17.867 -2.655 12.778 1.00 0.00 C ATOM 1102 O MET A 78 -16.889 -2.914 13.487 1.00 0.00 O ATOM 1103 CB MET A 78 -16.958 -0.415 11.807 1.00 0.00 C ATOM 1104 CG MET A 78 -16.305 -1.126 10.604 1.00 0.00 C ATOM 1105 SD MET A 78 -15.549 0.043 9.406 1.00 0.00 S ATOM 1106 CE MET A 78 -13.859 -0.648 9.515 1.00 0.00 C ATOM 0 H MET A 78 -18.111 0.231 13.931 1.00 0.00 H new ATOM 0 HA MET A 78 -18.922 -1.268 11.562 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.266 0.587 11.508 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.219 -0.298 12.599 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.540 -1.813 10.966 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.056 -1.727 10.092 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.194 -0.089 8.857 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.501 -0.573 10.542 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.874 -1.695 9.212 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.659 -3.618 12.272 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.395 -5.066 12.480 1.00 0.00 C ATOM 1118 C ALA A 79 -17.300 -5.625 11.508 1.00 0.00 C ATOM 1119 O ALA A 79 -17.575 -6.301 10.512 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.758 -5.780 12.387 1.00 0.00 C ATOM 0 H ALA A 79 -19.491 -3.425 11.714 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.960 -5.251 13.462 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.618 -6.851 12.534 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.425 -5.392 13.157 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.196 -5.602 11.405 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.038 -5.314 11.836 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.846 -5.742 11.066 1.00 0.00 C ATOM 1128 C PHE A 80 -13.722 -6.131 12.079 1.00 0.00 C ATOM 1129 O PHE A 80 -13.398 -5.370 12.998 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.432 -4.589 10.104 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.361 -4.978 9.074 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.730 -5.685 7.925 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.010 -4.687 9.297 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.760 -6.117 7.026 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.042 -5.118 8.394 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.416 -5.850 7.269 1.00 0.00 C ATOM 0 H PHE A 80 -15.806 -4.750 12.654 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.049 -6.617 10.449 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.318 -4.238 9.575 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.062 -3.752 10.697 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.772 -5.896 7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.718 -4.126 10.172 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.050 -6.660 6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.001 -4.885 8.565 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.662 -6.211 6.585 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.116 -7.316 11.907 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.003 -7.779 12.780 1.00 0.00 C ATOM 1148 C ALA A 81 -10.624 -7.112 12.464 1.00 0.00 C ATOM 1149 O ALA A 81 -10.070 -6.430 13.331 1.00 0.00 O ATOM 1150 CB ALA A 81 -11.993 -9.320 12.729 1.00 0.00 C ATOM 0 H ALA A 81 -13.371 -7.978 11.174 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.178 -7.452 13.805 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.188 -9.700 13.358 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.948 -9.702 13.091 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.836 -9.649 11.702 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.080 -7.297 11.248 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.770 -6.711 10.876 1.00 0.00 C ATOM 1158 C GLY A 82 -8.168 -7.214 9.546 1.00 0.00 C ATOM 1159 O GLY A 82 -8.390 -8.348 9.111 1.00 0.00 O ATOM 0 H GLY A 82 -10.520 -7.843 10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.880 -5.628 10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.060 -6.917 11.677 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.328 -6.365 8.945 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.392 -6.761 7.859 1.00 0.00 C ATOM 1165 C LEU A 83 -4.965 -6.970 8.489 1.00 0.00 C ATOM 1166 O LEU A 83 -4.275 -5.964 8.713 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.374 -5.665 6.751 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.639 -5.478 5.876 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.473 -4.257 4.955 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -7.963 -6.709 5.010 1.00 0.00 C ATOM 0 H LEU A 83 -7.269 -5.377 9.191 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.714 -7.692 7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.160 -4.711 7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.539 -5.881 6.085 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.468 -5.331 6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.369 -4.137 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.323 -3.363 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.610 -4.405 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.859 -6.514 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.127 -6.914 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.132 -7.572 5.654 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.465 -8.207 8.800 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.147 -8.396 9.481 1.00 0.00 C ATOM 1184 C PRO A 84 -1.851 -8.084 8.660 1.00 0.00 C ATOM 1185 O PRO A 84 -0.886 -7.567 9.232 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.242 -9.852 9.979 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.201 -10.548 9.012 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.223 -9.469 8.652 1.00 0.00 C ATOM 0 HA PRO A 84 -3.009 -7.655 10.268 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.264 -10.333 9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.616 -9.894 11.002 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.679 -10.912 8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.679 -11.410 9.477 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.597 -9.595 7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.087 -9.498 9.316 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.834 -8.337 7.340 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.693 -7.986 6.455 1.00 0.00 C ATOM 1198 C LYS A 85 -0.682 -6.469 6.079 1.00 0.00 C ATOM 1199 O LYS A 85 -1.667 -5.916 5.575 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.760 -8.854 5.168 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.497 -10.365 5.365 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.525 -11.138 4.033 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.268 -12.640 4.226 1.00 0.00 C ATOM 1204 NZ LYS A 85 -0.330 -13.330 2.923 1.00 0.00 N ATOM 0 H LYS A 85 -2.606 -8.790 6.850 1.00 0.00 H new ATOM 0 HA LYS A 85 0.230 -8.188 6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.746 -8.731 4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.034 -8.468 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.472 -10.504 5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.248 -10.778 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.493 -10.996 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.227 -10.726 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.709 -12.795 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.009 -13.060 4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.155 -14.346 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.271 -13.194 2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.393 -12.937 2.287 1.00 0.00 H new ATOM 1217 N ILE A 86 0.486 -5.825 6.252 1.00 0.00 N ATOM 1218 CA ILE A 86 0.784 -4.476 5.666 1.00 0.00 C ATOM 1219 C ILE A 86 0.522 -4.311 4.127 1.00 0.00 C ATOM 1220 O ILE A 86 -0.062 -3.305 3.723 1.00 0.00 O ATOM 1221 CB ILE A 86 2.210 -4.004 6.116 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.556 -2.532 5.747 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.372 -4.909 5.620 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.657 -1.453 6.372 1.00 0.00 C ATOM 0 H ILE A 86 1.257 -6.211 6.797 1.00 0.00 H new ATOM 0 HA ILE A 86 0.037 -3.799 6.082 1.00 0.00 H new ATOM 0 HB ILE A 86 2.132 -4.084 7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.586 -2.336 6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.513 -2.430 4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.322 -4.510 5.976 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.236 -5.920 6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.375 -4.933 4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.991 -0.468 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.626 -1.610 6.055 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.716 -1.515 7.459 1.00 0.00 H new ATOM 1236 N GLU A 87 0.907 -5.302 3.300 1.00 0.00 N ATOM 1237 CA GLU A 87 0.564 -5.360 1.848 1.00 0.00 C ATOM 1238 C GLU A 87 -0.954 -5.173 1.512 1.00 0.00 C ATOM 1239 O GLU A 87 -1.286 -4.283 0.730 1.00 0.00 O ATOM 1240 CB GLU A 87 1.109 -6.684 1.238 1.00 0.00 C ATOM 1241 CG GLU A 87 2.645 -6.874 1.275 1.00 0.00 C ATOM 1242 CD GLU A 87 3.116 -8.173 0.628 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.076 -9.265 1.184 1.00 0.00 O ATOM 1244 OE2 GLU A 87 3.587 -7.983 -0.636 1.00 0.00 O ATOM 0 H GLU A 87 1.468 -6.094 3.613 1.00 0.00 H new ATOM 0 HA GLU A 87 1.049 -4.497 1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.648 -7.519 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.782 -6.743 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.119 -6.033 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.980 -6.852 2.312 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.873 -5.938 2.138 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.344 -5.690 2.035 1.00 0.00 C ATOM 1253 C ASP A 88 -3.828 -4.271 2.491 1.00 0.00 C ATOM 1254 O ASP A 88 -4.622 -3.651 1.778 1.00 0.00 O ATOM 1255 CB ASP A 88 -4.103 -6.815 2.792 1.00 0.00 C ATOM 1256 CG ASP A 88 -4.105 -8.177 2.100 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -3.022 -8.933 2.431 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -4.985 -8.549 1.333 1.00 0.00 O ATOM 0 H ASP A 88 -1.631 -6.737 2.724 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.578 -5.710 0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.660 -6.928 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.136 -6.499 2.940 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.336 -3.743 3.628 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.603 -2.339 4.060 1.00 0.00 C ATOM 1265 C ARG A 89 -3.066 -1.238 3.082 1.00 0.00 C ATOM 1266 O ARG A 89 -3.853 -0.406 2.624 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.084 -2.116 5.511 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.640 -3.079 6.591 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.397 -2.659 8.052 1.00 0.00 C ATOM 1270 NE ARG A 89 -1.951 -2.616 8.425 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.260 -3.617 8.970 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.756 -4.801 9.204 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.015 -3.409 9.282 1.00 0.00 N ATOM 0 H ARG A 89 -2.746 -4.265 4.275 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.686 -2.219 4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.997 -2.200 5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.322 -1.094 5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.714 -3.186 6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.196 -4.063 6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.836 -1.675 8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.914 -3.354 8.713 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.449 -1.746 8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.727 -5.003 8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.172 -5.524 9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.409 -2.498 9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.538 -4.157 9.700 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.763 -1.246 2.739 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.177 -0.330 1.723 1.00 0.00 C ATOM 1289 C ALA A 90 -1.736 -0.438 0.263 1.00 0.00 C ATOM 1290 O ALA A 90 -1.966 0.602 -0.361 1.00 0.00 O ATOM 1291 CB ALA A 90 0.347 -0.534 1.799 1.00 0.00 C ATOM 0 H ALA A 90 -1.083 -1.883 3.153 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.476 0.688 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.838 0.114 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.698 -0.287 2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.586 -1.574 1.577 1.00 0.00 H new ATOM 1297 N ASN A 91 -2.020 -1.649 -0.264 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.790 -1.828 -1.532 1.00 0.00 C ATOM 1299 C ASN A 91 -4.238 -1.229 -1.501 1.00 0.00 C ATOM 1300 O ASN A 91 -4.590 -0.459 -2.399 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.804 -3.332 -1.929 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.474 -3.955 -2.380 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.532 -3.300 -2.810 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.364 -5.260 -2.342 1.00 0.00 N ATOM 0 H ASN A 91 -1.729 -2.527 0.166 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.270 -1.249 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.171 -3.902 -1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.527 -3.461 -2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.508 -5.709 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.135 -5.827 -1.988 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.060 -1.531 -0.471 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.380 -0.860 -0.261 1.00 0.00 C ATOM 1313 C LEU A 92 -6.299 0.697 -0.092 1.00 0.00 C ATOM 1314 O LEU A 92 -7.030 1.410 -0.780 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.111 -1.571 0.915 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.664 -1.551 0.910 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.187 -2.389 2.082 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -9.290 -0.154 1.018 1.00 0.00 C ATOM 0 H LEU A 92 -4.839 -2.235 0.233 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.966 -0.970 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -6.788 -2.612 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.772 -1.117 1.846 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.954 -1.957 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.277 -2.376 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.836 -3.416 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.821 -1.971 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.377 -0.240 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.973 0.316 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.966 0.456 0.175 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.396 1.238 0.750 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.155 2.713 0.875 1.00 0.00 C ATOM 1332 C ILE A 93 -4.678 3.402 -0.456 1.00 0.00 C ATOM 1333 O ILE A 93 -5.204 4.470 -0.776 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.267 2.967 2.146 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -5.011 2.592 3.468 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.741 4.423 2.271 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.104 2.368 4.686 1.00 0.00 C ATOM 0 H ILE A 93 -4.808 0.677 1.367 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.103 3.227 1.037 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.408 2.312 2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.721 3.385 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.591 1.686 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.137 4.515 3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.132 4.666 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.585 5.111 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.714 2.113 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.410 1.553 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.542 3.279 4.894 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.781 2.799 -1.266 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.580 3.200 -2.690 1.00 0.00 C ATOM 1351 C ALA A 94 -4.860 3.255 -3.592 1.00 0.00 C ATOM 1352 O ALA A 94 -5.044 4.228 -4.329 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.519 2.257 -3.285 1.00 0.00 C ATOM 0 H ALA A 94 -3.181 2.031 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.257 4.241 -2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.344 2.519 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.589 2.356 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.872 1.227 -3.224 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.757 2.251 -3.516 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.111 2.328 -4.139 1.00 0.00 C ATOM 1361 C TYR A 95 -8.049 3.444 -3.555 1.00 0.00 C ATOM 1362 O TYR A 95 -8.665 4.157 -4.345 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.723 0.901 -4.106 1.00 0.00 C ATOM 1364 CG TYR A 95 -9.064 0.736 -4.835 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.119 0.778 -6.232 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.243 0.550 -4.105 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.339 0.646 -6.889 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.460 0.409 -4.766 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.507 0.459 -6.157 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.692 0.303 -6.822 1.00 0.00 O ATOM 0 H TYR A 95 -5.576 1.373 -3.030 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.004 2.659 -5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -7.005 0.207 -4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.857 0.607 -3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.212 0.913 -6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.209 0.516 -3.026 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.379 0.689 -7.967 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.368 0.261 -4.200 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.291 -0.264 -6.294 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.127 3.645 -2.224 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.770 4.855 -1.616 1.00 0.00 C ATOM 1382 C LEU A 96 -8.176 6.238 -2.071 1.00 0.00 C ATOM 1383 O LEU A 96 -8.941 7.161 -2.355 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.784 4.751 -0.061 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.443 3.516 0.608 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.244 3.554 2.134 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -10.937 3.372 0.278 1.00 0.00 C ATOM 0 H LEU A 96 -7.755 2.989 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.789 4.848 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.750 4.797 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.286 5.639 0.323 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.940 2.642 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.714 2.679 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.178 3.551 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.699 4.458 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.336 2.489 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.473 4.257 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.063 3.268 -0.800 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.839 6.376 -2.196 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.186 7.527 -2.897 1.00 0.00 C ATOM 1401 C GLU A 97 -6.604 7.735 -4.397 1.00 0.00 C ATOM 1402 O GLU A 97 -6.847 8.879 -4.789 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.642 7.395 -2.759 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.072 7.593 -1.331 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.583 7.282 -1.217 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -1.804 8.344 -1.565 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -2.135 6.200 -0.850 1.00 0.00 O ATOM 0 H GLU A 97 -6.174 5.700 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.548 8.427 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.348 6.407 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.174 8.123 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.244 8.624 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.621 6.956 -0.638 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.727 6.667 -5.214 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.415 6.742 -6.540 1.00 0.00 C ATOM 1416 C GLY A 98 -8.971 6.703 -6.614 1.00 0.00 C ATOM 1417 O GLY A 98 -9.508 6.598 -7.718 1.00 0.00 O ATOM 0 H GLY A 98 -6.363 5.741 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.091 7.664 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.041 5.917 -7.146 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.692 6.804 -5.489 1.00 0.00 N ATOM 1422 CA GLN A 99 -11.169 6.993 -5.445 1.00 0.00 C ATOM 1423 C GLN A 99 -11.433 8.234 -4.536 1.00 0.00 C ATOM 1424 O GLN A 99 -11.711 8.119 -3.338 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.847 5.705 -4.905 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.682 4.404 -5.737 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.456 4.351 -7.056 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.599 3.914 -7.123 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -11.864 4.784 -8.143 1.00 0.00 N ATOM 0 H GLN A 99 -9.269 6.757 -4.562 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.592 7.170 -6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.459 5.515 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.914 5.905 -4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.623 4.267 -5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.993 3.560 -5.121 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.913 5.149 -8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.355 4.756 -9.037 1.00 0.00 H new ATOM 1438 N GLN A 100 -11.254 9.423 -5.121 1.00 0.00 N ATOM 1439 CA GLN A 100 -11.033 10.681 -4.359 1.00 0.00 C ATOM 1440 C GLN A 100 -12.110 11.751 -4.672 1.00 0.00 C ATOM 1441 O GLN A 100 -12.290 12.138 -5.852 1.00 0.00 O ATOM 1442 CB GLN A 100 -9.588 11.161 -4.665 1.00 0.00 C ATOM 1443 CG GLN A 100 -8.983 12.103 -3.591 1.00 0.00 C ATOM 1444 CD GLN A 100 -7.567 12.621 -3.870 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -7.323 13.817 -3.985 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -6.574 11.766 -3.961 1.00 0.00 N ATOM 1447 OXT GLN A 100 -12.766 12.229 -3.718 1.00 0.00 O ATOM 0 H GLN A 100 -11.256 9.552 -6.133 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.135 10.501 -3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.943 10.288 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.585 11.676 -5.625 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.645 12.961 -3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.974 11.575 -2.637 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.752 10.766 -3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.625 12.102 -4.124 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.297 0.085 7.427 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.731 3.046 9.112 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.406 1.653 6.302 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.398 -2.827 6.201 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.110 -1.145 8.270 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.256 1.769 7.777 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.594 2.862 8.437 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.744 3.921 8.386 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.759 3.497 7.614 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.158 2.258 7.222 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.514 4.345 7.281 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.820 5.343 9.006 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.760 6.286 8.219 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.780 7.757 8.657 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.689 8.049 9.873 1.00 0.00 O HETATM 1472 O2A HEC A 101 -15.888 8.639 7.775 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.794 -0.406 6.430 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.698 0.296 5.848 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.923 -0.441 4.959 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.387 -1.739 5.033 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.478 -1.703 5.927 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.792 0.064 4.048 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.882 -2.945 4.213 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.489 -3.406 4.667 1.00 0.00 C HETATM 1481 NC HEC A 101 -16.977 -1.652 7.460 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.562 -2.718 6.854 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.443 -3.746 6.846 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.556 -3.244 7.385 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.207 -1.976 7.723 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.323 -5.178 6.300 1.00 0.00 C HETATM 1487 CAC HEC A 101 -19.947 -3.945 7.413 1.00 0.00 C HETATM 1488 CBC HEC A 101 -20.006 -5.264 8.199 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.682 0.889 8.305 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.882 0.257 8.665 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.696 0.996 9.538 1.00 0.00 C HETATM 1492 C3D HEC A 101 -19.014 2.164 9.806 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.821 2.071 9.080 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.056 0.589 10.119 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.502 3.330 10.686 1.00 0.00 C HETATM 1496 CBD HEC A 101 -19.038 3.214 12.156 1.00 0.00 C HETATM 1497 CGD HEC A 101 -19.564 4.280 13.123 1.00 0.00 C HETATM 1498 O1D HEC A 101 -19.254 4.176 14.331 1.00 0.00 O HETATM 1499 O2D HEC A 101 -20.308 5.200 12.716 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.762 0.419 9.307 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -20.944 -0.326 10.700 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.429 1.385 10.764 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.128 -5.144 5.228 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.503 -5.691 6.802 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.253 -5.716 6.482 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.184 0.818 3.365 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -11.002 0.502 4.658 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.387 -0.770 3.474 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.822 5.260 6.776 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -11.989 4.598 8.202 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.850 3.777 6.630 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -19.336 2.235 12.532 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -17.949 3.244 12.174 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.310 -5.980 7.762 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -19.733 -5.081 9.238 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -21.017 -5.669 8.155 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.778 -2.589 4.544 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.527 -3.700 5.716 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.173 -4.257 4.063 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -15.479 6.247 7.167 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -16.775 5.895 8.292 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -19.138 4.269 10.269 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.591 3.369 10.657 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.167 5.268 10.037 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.820 5.776 9.037 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.109 -1.547 8.438 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.108 -3.816 5.846 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.553 2.184 5.879 1.00 0.00 H new HETATM 0 HHA HEC A 101 -16.851 3.952 9.706 1.00 0.00 H new HETATM 0 H2D HEC A 101 -21.123 4.815 12.330 1.00 0.00 H new HETATM 0 H2A HEC A 101 -16.829 8.897 7.684 1.00 0.00 H new