USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=17 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 172:sc= 1.31 USER MOD Set 1.2: A 50 MET CE :methyl 153:sc= -0.0867 (180deg=-1.21) USER MOD Set 1.3: A 76 THR OG1 : rot 180:sc= 0.346 USER MOD Set 1.4: A 101 HEC O2D : rot -15:sc= 0.379 USER MOD Set 2.1: A 46 TYR OH : rot -143:sc= 0.0303 USER MOD Set 2.2: A 101 HEC O2A : rot 93:sc= 0.0319 USER MOD Single : A 1 MET CE :methyl 162:sc=-0.00429 (180deg=-0.592) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.39 (180deg=0.913) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 0.265 (180deg=0.225) 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= 0.169 X(o=0.17,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 31 ASN : amide:sc= 1.25 K(o=1.3,f=-2.3!) USER MOD Single : A 37 THR OG1 : rot 69: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+ 145:sc= 0.642 (180deg=0.135) USER MOD Single : A 53 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.27) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 63 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.8!) USER MOD Single : A 67 THR OG1 : rot -86:sc= 0.755 USER MOD Single : A 68 ASN : amide:sc= 0.00136 X(o=0.0014,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.379) USER MOD Single : A 77 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.235) USER MOD Single : A 78 MET CE :methyl -171:sc= -0.0249 (180deg=-0.0533) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.777 K(o=-0.78,f=-2!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.213 K(o=0.21,f=-2.2) USER MOD Single : A 100 GLN : amide:sc= 0.856 K(o=0.86,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.563 -2.408 0.812 1.00 0.00 N ATOM 2 CA MET A 1 2.649 -1.591 -0.427 1.00 0.00 C ATOM 3 C MET A 1 3.606 -2.296 -1.433 1.00 0.00 C ATOM 4 O MET A 1 4.824 -2.098 -1.394 1.00 0.00 O ATOM 5 CB MET A 1 3.091 -0.136 -0.106 1.00 0.00 C ATOM 6 CG MET A 1 2.095 0.743 0.686 1.00 0.00 C ATOM 7 SD MET A 1 1.769 0.119 2.353 1.00 0.00 S ATOM 8 CE MET A 1 3.357 0.391 3.162 1.00 0.00 C ATOM 0 H1 MET A 1 2.222 -1.815 1.596 1.00 0.00 H new ATOM 0 H2 MET A 1 1.903 -3.197 0.662 1.00 0.00 H new ATOM 0 H3 MET A 1 3.504 -2.784 1.046 1.00 0.00 H new ATOM 0 HA MET A 1 1.664 -1.514 -0.888 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.024 -0.182 0.457 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.311 0.367 -1.048 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.489 1.757 0.755 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.156 0.803 0.137 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.224 0.361 4.243 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.057 -0.388 2.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.751 1.365 2.872 1.00 0.00 H new ATOM 19 N ALA A 2 3.061 -3.140 -2.330 1.00 0.00 N ATOM 20 CA ALA A 2 3.884 -3.949 -3.267 1.00 0.00 C ATOM 21 C ALA A 2 3.909 -3.365 -4.714 1.00 0.00 C ATOM 22 O ALA A 2 3.243 -3.873 -5.622 1.00 0.00 O ATOM 23 CB ALA A 2 3.357 -5.396 -3.176 1.00 0.00 C ATOM 0 H ALA A 2 2.056 -3.284 -2.430 1.00 0.00 H new ATOM 0 HA ALA A 2 4.936 -3.926 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.930 -6.035 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.463 -5.758 -2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.306 -5.419 -3.462 1.00 0.00 H new ATOM 29 N ASP A 3 4.701 -2.298 -4.929 1.00 0.00 N ATOM 30 CA ASP A 3 4.762 -1.592 -6.243 1.00 0.00 C ATOM 31 C ASP A 3 6.227 -1.692 -6.796 1.00 0.00 C ATOM 32 O ASP A 3 7.065 -0.875 -6.393 1.00 0.00 O ATOM 33 CB ASP A 3 4.261 -0.122 -6.148 1.00 0.00 C ATOM 34 CG ASP A 3 2.906 0.115 -5.478 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.022 0.273 -4.123 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.848 0.161 -6.097 1.00 0.00 O ATOM 0 H ASP A 3 5.311 -1.898 -4.216 1.00 0.00 H new ATOM 0 HA ASP A 3 4.083 -2.078 -6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.011 0.456 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.214 0.284 -7.158 1.00 0.00 H new ATOM 41 N PRO A 4 6.606 -2.645 -7.699 1.00 0.00 N ATOM 42 CA PRO A 4 8.028 -2.840 -8.111 1.00 0.00 C ATOM 43 C PRO A 4 8.661 -1.741 -9.029 1.00 0.00 C ATOM 44 O PRO A 4 9.844 -1.429 -8.880 1.00 0.00 O ATOM 45 CB PRO A 4 7.988 -4.256 -8.719 1.00 0.00 C ATOM 46 CG PRO A 4 6.564 -4.436 -9.249 1.00 0.00 C ATOM 47 CD PRO A 4 5.686 -3.647 -8.275 1.00 0.00 C ATOM 0 HA PRO A 4 8.713 -2.737 -7.270 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.720 -4.360 -9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.226 -5.011 -7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.469 -4.055 -10.266 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.281 -5.488 -9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.848 -3.173 -8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.265 -4.292 -7.504 1.00 0.00 H new ATOM 55 N ALA A 5 7.871 -1.106 -9.913 1.00 0.00 N ATOM 56 CA ALA A 5 8.288 0.126 -10.642 1.00 0.00 C ATOM 57 C ALA A 5 8.563 1.397 -9.765 1.00 0.00 C ATOM 58 O ALA A 5 9.483 2.157 -10.070 1.00 0.00 O ATOM 59 CB ALA A 5 7.220 0.387 -11.721 1.00 0.00 C ATOM 0 H ALA A 5 6.930 -1.422 -10.148 1.00 0.00 H new ATOM 0 HA ALA A 5 9.272 -0.063 -11.071 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.483 1.283 -12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.171 -0.466 -12.398 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.249 0.529 -11.246 1.00 0.00 H new ATOM 65 N ALA A 6 7.833 1.599 -8.653 1.00 0.00 N ATOM 66 CA ALA A 6 8.263 2.541 -7.580 1.00 0.00 C ATOM 67 C ALA A 6 9.503 2.116 -6.714 1.00 0.00 C ATOM 68 O ALA A 6 10.199 2.990 -6.193 1.00 0.00 O ATOM 69 CB ALA A 6 7.022 2.814 -6.714 1.00 0.00 C ATOM 0 H ALA A 6 6.947 1.130 -8.466 1.00 0.00 H new ATOM 0 HA ALA A 6 8.642 3.438 -8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.284 3.501 -5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.239 3.257 -7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.662 1.877 -6.288 1.00 0.00 H new ATOM 75 N GLY A 7 9.806 0.810 -6.587 1.00 0.00 N ATOM 76 CA GLY A 7 11.083 0.324 -5.996 1.00 0.00 C ATOM 77 C GLY A 7 12.386 0.441 -6.824 1.00 0.00 C ATOM 78 O GLY A 7 13.464 0.410 -6.230 1.00 0.00 O ATOM 0 H GLY A 7 9.182 0.061 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.238 0.862 -5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.948 -0.727 -5.741 1.00 0.00 H new ATOM 82 N GLU A 8 12.315 0.593 -8.160 1.00 0.00 N ATOM 83 CA GLU A 8 13.519 0.810 -9.023 1.00 0.00 C ATOM 84 C GLU A 8 14.268 2.164 -8.802 1.00 0.00 C ATOM 85 O GLU A 8 15.495 2.203 -8.704 1.00 0.00 O ATOM 86 CB GLU A 8 13.149 0.520 -10.508 1.00 0.00 C ATOM 87 CG GLU A 8 12.409 1.595 -11.354 1.00 0.00 C ATOM 88 CD GLU A 8 13.292 2.450 -12.266 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.839 3.518 -11.614 1.00 0.00 O ATOM 90 OE2 GLU A 8 13.473 2.198 -13.454 1.00 0.00 O ATOM 0 H GLU A 8 11.437 0.571 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 8 14.275 0.091 -8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.075 0.278 -11.030 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.533 -0.379 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.661 1.094 -11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.872 2.257 -10.675 1.00 0.00 H new ATOM 97 N LYS A 9 13.504 3.264 -8.701 1.00 0.00 N ATOM 98 CA LYS A 9 14.016 4.577 -8.203 1.00 0.00 C ATOM 99 C LYS A 9 14.523 4.601 -6.716 1.00 0.00 C ATOM 100 O LYS A 9 15.548 5.229 -6.439 1.00 0.00 O ATOM 101 CB LYS A 9 12.976 5.691 -8.513 1.00 0.00 C ATOM 102 CG LYS A 9 11.524 5.426 -8.046 1.00 0.00 C ATOM 103 CD LYS A 9 10.664 6.703 -7.949 1.00 0.00 C ATOM 104 CE LYS A 9 9.200 6.470 -7.531 1.00 0.00 C ATOM 105 NZ LYS A 9 9.080 5.944 -6.154 1.00 0.00 N ATOM 0 H LYS A 9 12.517 3.282 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 9 14.935 4.773 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.320 6.617 -8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.964 5.857 -9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.050 4.730 -8.738 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.548 4.939 -7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.127 7.382 -7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.675 7.205 -8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.650 7.408 -7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.734 5.771 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.081 5.948 -5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.446 4.971 -6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.629 6.542 -5.505 1.00 0.00 H new ATOM 118 N VAL A 10 13.874 3.871 -5.786 1.00 0.00 N ATOM 119 CA VAL A 10 14.445 3.566 -4.433 1.00 0.00 C ATOM 120 C VAL A 10 15.781 2.731 -4.490 1.00 0.00 C ATOM 121 O VAL A 10 16.724 3.068 -3.768 1.00 0.00 O ATOM 122 CB VAL A 10 13.360 2.933 -3.489 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.879 2.716 -2.049 1.00 0.00 C ATOM 124 CG2 VAL A 10 12.057 3.759 -3.344 1.00 0.00 C ATOM 0 H VAL A 10 12.947 3.474 -5.937 1.00 0.00 H new ATOM 0 HA VAL A 10 14.737 4.519 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 10 13.141 1.991 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.089 2.277 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.738 2.045 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.177 3.673 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.371 3.241 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.293 4.741 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.590 3.876 -4.322 1.00 0.00 H new ATOM 134 N PHE A 11 15.914 1.704 -5.361 1.00 0.00 N ATOM 135 CA PHE A 11 17.237 1.087 -5.676 1.00 0.00 C ATOM 136 C PHE A 11 18.328 2.035 -6.285 1.00 0.00 C ATOM 137 O PHE A 11 19.512 1.800 -6.039 1.00 0.00 O ATOM 138 CB PHE A 11 17.040 -0.205 -6.521 1.00 0.00 C ATOM 139 CG PHE A 11 18.298 -1.099 -6.553 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.651 -1.824 -5.411 1.00 0.00 C ATOM 141 CD2 PHE A 11 19.184 -1.055 -7.637 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.881 -2.467 -5.338 1.00 0.00 C ATOM 143 CE2 PHE A 11 20.413 -1.712 -7.565 1.00 0.00 C ATOM 144 CZ PHE A 11 20.766 -2.401 -6.407 1.00 0.00 C ATOM 0 H PHE A 11 15.130 1.282 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 11 17.664 0.834 -4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.205 -0.776 -6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.771 0.071 -7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.964 -1.885 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.915 -0.511 -8.531 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.149 -3.019 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 11 21.090 -1.686 -8.406 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.729 -2.885 -6.340 1.00 0.00 H new ATOM 154 N GLY A 12 17.975 3.127 -6.988 1.00 0.00 N ATOM 155 CA GLY A 12 18.931 4.238 -7.264 1.00 0.00 C ATOM 156 C GLY A 12 19.696 4.901 -6.079 1.00 0.00 C ATOM 157 O GLY A 12 20.814 5.381 -6.267 1.00 0.00 O ATOM 0 H GLY A 12 17.043 3.272 -7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.676 3.862 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.379 5.025 -7.778 1.00 0.00 H new ATOM 161 N LYS A 13 19.124 4.870 -4.865 1.00 0.00 N ATOM 162 CA LYS A 13 19.862 5.136 -3.590 1.00 0.00 C ATOM 163 C LYS A 13 20.947 4.057 -3.207 1.00 0.00 C ATOM 164 O LYS A 13 22.000 4.399 -2.664 1.00 0.00 O ATOM 165 CB LYS A 13 18.851 5.304 -2.407 1.00 0.00 C ATOM 166 CG LYS A 13 17.559 6.141 -2.606 1.00 0.00 C ATOM 167 CD LYS A 13 17.772 7.615 -2.993 1.00 0.00 C ATOM 168 CE LYS A 13 16.443 8.291 -3.367 1.00 0.00 C ATOM 169 NZ LYS A 13 16.678 9.707 -3.711 1.00 0.00 N ATOM 0 H LYS A 13 18.136 4.661 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 13 20.414 6.059 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.546 4.305 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.398 5.744 -1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.955 5.665 -3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.980 6.107 -1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.233 8.149 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 13 18.463 7.676 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.987 7.774 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.743 8.221 -2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.775 10.158 -3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.094 10.198 -2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.331 9.764 -4.519 1.00 0.00 H new ATOM 182 N CYS A 14 20.673 2.766 -3.470 1.00 0.00 N ATOM 183 CA CYS A 14 21.623 1.642 -3.262 1.00 0.00 C ATOM 184 C CYS A 14 22.701 1.410 -4.384 1.00 0.00 C ATOM 185 O CYS A 14 23.798 0.934 -4.075 1.00 0.00 O ATOM 186 CB CYS A 14 20.763 0.359 -3.109 1.00 0.00 C ATOM 187 SG CYS A 14 19.133 0.590 -2.338 1.00 0.00 S ATOM 0 H CYS A 14 19.772 2.463 -3.839 1.00 0.00 H new ATOM 0 HA CYS A 14 22.215 1.896 -2.383 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.619 -0.079 -4.096 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.325 -0.364 -2.518 1.00 0.00 H new ATOM 192 N LYS A 15 22.379 1.675 -5.671 1.00 0.00 N ATOM 193 CA LYS A 15 23.134 1.138 -6.849 1.00 0.00 C ATOM 194 C LYS A 15 24.651 1.478 -7.030 1.00 0.00 C ATOM 195 O LYS A 15 25.384 0.683 -7.622 1.00 0.00 O ATOM 196 CB LYS A 15 22.318 1.402 -8.146 1.00 0.00 C ATOM 197 CG LYS A 15 22.319 2.845 -8.704 1.00 0.00 C ATOM 198 CD LYS A 15 21.475 2.976 -9.987 1.00 0.00 C ATOM 199 CE LYS A 15 21.426 4.423 -10.499 1.00 0.00 C ATOM 200 NZ LYS A 15 20.590 4.498 -11.713 1.00 0.00 N ATOM 0 H LYS A 15 21.590 2.266 -5.932 1.00 0.00 H new ATOM 0 HA LYS A 15 23.218 0.077 -6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.697 0.739 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.284 1.114 -7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.932 3.526 -7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.344 3.151 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.891 2.331 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.461 2.626 -9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.021 5.078 -9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.434 4.775 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.561 5.480 -12.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.994 3.887 -12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.625 4.180 -11.490 1.00 0.00 H new ATOM 213 N ALA A 16 25.122 2.628 -6.518 1.00 0.00 N ATOM 214 CA ALA A 16 26.580 2.921 -6.410 1.00 0.00 C ATOM 215 C ALA A 16 27.408 1.971 -5.478 1.00 0.00 C ATOM 216 O ALA A 16 28.561 1.660 -5.789 1.00 0.00 O ATOM 217 CB ALA A 16 26.698 4.395 -5.975 1.00 0.00 C ATOM 0 H ALA A 16 24.522 3.376 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 16 27.032 2.735 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.750 4.663 -5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 16 26.226 5.034 -6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.201 4.532 -5.015 1.00 0.00 H new ATOM 223 N CYS A 17 26.819 1.508 -4.361 1.00 0.00 N ATOM 224 CA CYS A 17 27.405 0.434 -3.525 1.00 0.00 C ATOM 225 C CYS A 17 27.053 -1.031 -3.955 1.00 0.00 C ATOM 226 O CYS A 17 27.945 -1.882 -3.942 1.00 0.00 O ATOM 227 CB CYS A 17 26.965 0.702 -2.074 1.00 0.00 C ATOM 228 SG CYS A 17 27.377 2.380 -1.510 1.00 0.00 S ATOM 0 H CYS A 17 25.929 1.862 -4.010 1.00 0.00 H new ATOM 0 HA CYS A 17 28.487 0.477 -3.649 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.889 0.550 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.440 -0.025 -1.415 1.00 0.00 H new ATOM 233 N HIS A 18 25.780 -1.342 -4.267 1.00 0.00 N ATOM 234 CA HIS A 18 25.311 -2.733 -4.537 1.00 0.00 C ATOM 235 C HIS A 18 24.923 -2.920 -6.036 1.00 0.00 C ATOM 236 O HIS A 18 24.182 -2.104 -6.591 1.00 0.00 O ATOM 237 CB HIS A 18 24.068 -3.017 -3.655 1.00 0.00 C ATOM 238 CG HIS A 18 24.303 -3.141 -2.152 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.682 -4.313 -1.553 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.903 -2.222 -1.177 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.413 -4.038 -0.249 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.901 -2.796 0.108 1.00 0.00 N ATOM 0 H HIS A 18 25.041 -0.643 -4.341 1.00 0.00 H new ATOM 0 HA HIS A 18 26.121 -3.425 -4.305 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.345 -2.219 -3.821 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.608 -3.941 -4.004 1.00 0.00 H new ATOM 0 HD1 HIS A 18 25.063 -5.162 -1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.629 -1.198 -1.384 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.597 -4.784 0.509 1.00 0.00 H new ATOM 250 N LYS A 19 25.352 -4.020 -6.685 1.00 0.00 N ATOM 251 CA LYS A 19 25.086 -4.225 -8.149 1.00 0.00 C ATOM 252 C LYS A 19 23.858 -5.127 -8.490 1.00 0.00 C ATOM 253 O LYS A 19 23.142 -4.818 -9.443 1.00 0.00 O ATOM 254 CB LYS A 19 26.378 -4.656 -8.902 1.00 0.00 C ATOM 255 CG LYS A 19 27.615 -3.725 -8.803 1.00 0.00 C ATOM 256 CD LYS A 19 27.414 -2.299 -9.358 1.00 0.00 C ATOM 257 CE LYS A 19 28.682 -1.442 -9.215 1.00 0.00 C ATOM 258 NZ LYS A 19 28.434 -0.084 -9.737 1.00 0.00 N ATOM 0 H LYS A 19 25.875 -4.775 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 19 24.785 -3.246 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.668 -5.640 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.129 -4.771 -9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.911 -3.651 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 19 28.443 -4.191 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.131 -2.356 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 19 26.590 -1.818 -8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.979 -1.389 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.507 -1.904 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 29.296 0.489 -9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 28.171 -0.141 -10.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 27.660 0.358 -9.201 1.00 0.00 H new ATOM 271 N LEU A 20 23.643 -6.250 -7.775 1.00 0.00 N ATOM 272 CA LEU A 20 22.590 -7.277 -8.085 1.00 0.00 C ATOM 273 C LEU A 20 22.528 -7.938 -9.504 1.00 0.00 C ATOM 274 O LEU A 20 21.562 -8.629 -9.835 1.00 0.00 O ATOM 275 CB LEU A 20 21.216 -6.952 -7.433 1.00 0.00 C ATOM 276 CG LEU A 20 20.457 -5.674 -7.832 1.00 0.00 C ATOM 277 CD1 LEU A 20 19.953 -5.679 -9.286 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.259 -5.468 -6.887 1.00 0.00 C ATOM 0 H LEU A 20 24.196 -6.486 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 20 23.001 -8.144 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.556 -7.796 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 20 21.370 -6.914 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 20 21.173 -4.856 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.428 -4.746 -9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.800 -5.777 -9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.273 -6.518 -9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.723 -4.563 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.588 -6.324 -6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.617 -5.371 -5.862 1.00 0.00 H new ATOM 290 N ASP A 21 23.613 -7.835 -10.281 1.00 0.00 N ATOM 291 CA ASP A 21 23.838 -8.697 -11.482 1.00 0.00 C ATOM 292 C ASP A 21 24.918 -9.793 -11.174 1.00 0.00 C ATOM 293 O ASP A 21 25.959 -9.861 -11.837 1.00 0.00 O ATOM 294 CB ASP A 21 24.187 -7.788 -12.693 1.00 0.00 C ATOM 295 CG ASP A 21 23.067 -6.857 -13.163 1.00 0.00 C ATOM 296 OD1 ASP A 21 22.139 -7.213 -13.881 1.00 0.00 O ATOM 297 OD2 ASP A 21 23.215 -5.589 -12.688 1.00 0.00 O ATOM 0 H ASP A 21 24.362 -7.164 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 21 22.933 -9.246 -11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.054 -7.181 -12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.482 -8.423 -13.528 1.00 0.00 H new ATOM 302 N GLY A 22 24.701 -10.623 -10.127 1.00 0.00 N ATOM 303 CA GLY A 22 25.739 -11.566 -9.608 1.00 0.00 C ATOM 304 C GLY A 22 27.122 -11.039 -9.125 1.00 0.00 C ATOM 305 O GLY A 22 28.040 -11.844 -8.968 1.00 0.00 O ATOM 0 H GLY A 22 23.817 -10.664 -9.619 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.293 -12.106 -8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 22 25.931 -12.296 -10.394 1.00 0.00 H new ATOM 309 N ASN A 23 27.279 -9.722 -8.902 1.00 0.00 N ATOM 310 CA ASN A 23 28.566 -9.094 -8.487 1.00 0.00 C ATOM 311 C ASN A 23 28.327 -8.043 -7.354 1.00 0.00 C ATOM 312 O ASN A 23 27.223 -7.534 -7.125 1.00 0.00 O ATOM 313 CB ASN A 23 29.289 -8.431 -9.694 1.00 0.00 C ATOM 314 CG ASN A 23 29.784 -9.352 -10.814 1.00 0.00 C ATOM 315 OD1 ASN A 23 30.916 -9.821 -10.801 1.00 0.00 O ATOM 316 ND2 ASN A 23 28.992 -9.628 -11.822 1.00 0.00 N ATOM 0 H ASN A 23 26.517 -9.051 -9.003 1.00 0.00 H new ATOM 0 HA ASN A 23 29.210 -9.885 -8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 23 28.609 -7.701 -10.134 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.146 -7.877 -9.310 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.321 -10.225 -12.580 1.00 0.00 H new ATOM 0 HD22 ASN A 23 28.047 -9.245 -11.848 1.00 0.00 H new ATOM 323 N ASP A 24 29.406 -7.726 -6.632 1.00 0.00 N ATOM 324 CA ASP A 24 29.324 -7.017 -5.323 1.00 0.00 C ATOM 325 C ASP A 24 29.429 -5.464 -5.491 1.00 0.00 C ATOM 326 O ASP A 24 28.391 -4.800 -5.576 1.00 0.00 O ATOM 327 CB ASP A 24 30.311 -7.690 -4.318 1.00 0.00 C ATOM 328 CG ASP A 24 30.033 -9.160 -3.953 1.00 0.00 C ATOM 329 OD1 ASP A 24 28.911 -9.639 -3.811 1.00 0.00 O ATOM 330 OD2 ASP A 24 31.178 -9.878 -3.790 1.00 0.00 O ATOM 0 H ASP A 24 30.359 -7.945 -6.923 1.00 0.00 H new ATOM 0 HA ASP A 24 28.336 -7.129 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.316 -7.627 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.311 -7.105 -3.398 1.00 0.00 H new ATOM 335 N GLY A 25 30.648 -4.895 -5.536 1.00 0.00 N ATOM 336 CA GLY A 25 30.864 -3.421 -5.571 1.00 0.00 C ATOM 337 C GLY A 25 31.489 -2.889 -4.263 1.00 0.00 C ATOM 338 O GLY A 25 32.612 -3.262 -3.915 1.00 0.00 O ATOM 0 H GLY A 25 31.513 -5.435 -5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 25 31.514 -3.171 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.912 -2.921 -5.746 1.00 0.00 H new ATOM 342 N VAL A 26 30.755 -2.034 -3.539 1.00 0.00 N ATOM 343 CA VAL A 26 31.081 -1.677 -2.115 1.00 0.00 C ATOM 344 C VAL A 26 30.327 -2.633 -1.125 1.00 0.00 C ATOM 345 O VAL A 26 30.965 -3.184 -0.226 1.00 0.00 O ATOM 346 CB VAL A 26 30.842 -0.159 -1.782 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.322 0.240 -0.366 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.494 0.834 -2.772 1.00 0.00 C ATOM 0 H VAL A 26 29.925 -1.565 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 26 32.153 -1.827 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 26 29.758 -0.079 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.128 1.300 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.786 -0.348 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.391 0.049 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.275 1.855 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.573 0.682 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.094 0.666 -3.772 1.00 0.00 H new ATOM 358 N GLY A 27 28.998 -2.818 -1.269 1.00 0.00 N ATOM 359 CA GLY A 27 28.269 -3.926 -0.603 1.00 0.00 C ATOM 360 C GLY A 27 28.125 -5.234 -1.437 1.00 0.00 C ATOM 361 O GLY A 27 28.514 -5.256 -2.607 1.00 0.00 O ATOM 0 H GLY A 27 28.405 -2.216 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.781 -4.165 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.272 -3.574 -0.338 1.00 0.00 H new ATOM 365 N PRO A 28 27.547 -6.346 -0.906 1.00 0.00 N ATOM 366 CA PRO A 28 27.324 -7.594 -1.696 1.00 0.00 C ATOM 367 C PRO A 28 26.219 -7.534 -2.808 1.00 0.00 C ATOM 368 O PRO A 28 25.425 -6.591 -2.870 1.00 0.00 O ATOM 369 CB PRO A 28 26.984 -8.585 -0.565 1.00 0.00 C ATOM 370 CG PRO A 28 26.351 -7.743 0.539 1.00 0.00 C ATOM 371 CD PRO A 28 27.194 -6.478 0.519 1.00 0.00 C ATOM 0 HA PRO A 28 28.186 -7.851 -2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.297 -9.357 -0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 28 27.879 -9.093 -0.206 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.301 -7.533 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.395 -8.244 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.636 -5.614 0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.079 -6.571 1.148 1.00 0.00 H new ATOM 379 N HIS A 29 26.113 -8.567 -3.669 1.00 0.00 N ATOM 380 CA HIS A 29 24.973 -8.682 -4.628 1.00 0.00 C ATOM 381 C HIS A 29 23.599 -8.922 -3.912 1.00 0.00 C ATOM 382 O HIS A 29 23.460 -9.837 -3.093 1.00 0.00 O ATOM 383 CB HIS A 29 25.264 -9.721 -5.751 1.00 0.00 C ATOM 384 CG HIS A 29 25.280 -11.230 -5.476 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.397 -12.011 -5.744 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.146 -12.049 -5.301 1.00 0.00 C ATOM 387 CE1 HIS A 29 25.820 -13.254 -5.709 1.00 0.00 C ATOM 388 NE2 HIS A 29 24.488 -13.385 -5.422 1.00 0.00 N ATOM 0 H HIS A 29 26.789 -9.329 -3.727 1.00 0.00 H new ATOM 0 HA HIS A 29 24.877 -7.714 -5.120 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.526 -9.552 -6.535 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.238 -9.467 -6.170 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.149 -11.685 -5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 29 26.417 -14.131 -5.908 1.00 0.00 H new ATOM 0 HE2 HIS A 29 23.914 -14.223 -5.325 1.00 0.00 H new ATOM 396 N LEU A 30 22.586 -8.097 -4.222 1.00 0.00 N ATOM 397 CA LEU A 30 21.239 -8.190 -3.574 1.00 0.00 C ATOM 398 C LEU A 30 20.124 -8.935 -4.388 1.00 0.00 C ATOM 399 O LEU A 30 18.958 -8.927 -3.981 1.00 0.00 O ATOM 400 CB LEU A 30 20.804 -6.754 -3.173 1.00 0.00 C ATOM 401 CG LEU A 30 21.638 -6.015 -2.096 1.00 0.00 C ATOM 402 CD1 LEU A 30 21.064 -4.604 -1.907 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.689 -6.724 -0.732 1.00 0.00 C ATOM 0 H LEU A 30 22.660 -7.353 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 30 21.354 -8.834 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.804 -6.141 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.773 -6.803 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 30 22.664 -5.993 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.643 -4.074 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 30 21.116 -4.061 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 30 20.025 -4.674 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.293 -6.138 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.678 -6.825 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.132 -7.713 -0.852 1.00 0.00 H new ATOM 415 N ASN A 31 20.470 -9.643 -5.479 1.00 0.00 N ATOM 416 CA ASN A 31 19.546 -10.568 -6.191 1.00 0.00 C ATOM 417 C ASN A 31 19.213 -11.818 -5.310 1.00 0.00 C ATOM 418 O ASN A 31 20.093 -12.602 -4.939 1.00 0.00 O ATOM 419 CB ASN A 31 20.075 -10.893 -7.617 1.00 0.00 C ATOM 420 CG ASN A 31 21.492 -11.467 -7.775 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.488 -10.749 -7.742 1.00 0.00 O ATOM 422 ND2 ASN A 31 21.637 -12.754 -7.963 1.00 0.00 N ATOM 0 H ASN A 31 21.398 -9.595 -5.899 1.00 0.00 H new ATOM 0 HA ASN A 31 18.588 -10.073 -6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.381 -11.600 -8.072 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.025 -9.975 -8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.569 -13.150 -8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 31 20.818 -13.361 -7.992 1.00 0.00 H new ATOM 429 N GLY A 32 17.948 -11.920 -4.872 1.00 0.00 N ATOM 430 CA GLY A 32 17.513 -12.936 -3.881 1.00 0.00 C ATOM 431 C GLY A 32 17.934 -12.684 -2.419 1.00 0.00 C ATOM 432 O GLY A 32 18.315 -13.629 -1.731 1.00 0.00 O ATOM 0 H GLY A 32 17.196 -11.307 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.426 -13.007 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.906 -13.905 -4.189 1.00 0.00 H new ATOM 436 N VAL A 33 17.871 -11.429 -1.951 1.00 0.00 N ATOM 437 CA VAL A 33 18.123 -11.074 -0.515 1.00 0.00 C ATOM 438 C VAL A 33 16.890 -11.226 0.453 1.00 0.00 C ATOM 439 O VAL A 33 17.087 -11.476 1.646 1.00 0.00 O ATOM 440 CB VAL A 33 18.865 -9.699 -0.417 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.993 -8.461 -0.725 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.554 -9.510 0.951 1.00 0.00 C ATOM 0 H VAL A 33 17.647 -10.626 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 33 18.792 -11.839 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 33 19.614 -9.756 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.597 -7.558 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.604 -8.533 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.162 -8.417 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.056 -8.543 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.807 -9.550 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.286 -10.303 1.102 1.00 0.00 H new ATOM 452 N VAL A 34 15.639 -11.090 -0.031 1.00 0.00 N ATOM 453 CA VAL A 34 14.406 -11.255 0.800 1.00 0.00 C ATOM 454 C VAL A 34 14.184 -12.785 1.080 1.00 0.00 C ATOM 455 O VAL A 34 13.835 -13.550 0.176 1.00 0.00 O ATOM 456 CB VAL A 34 13.173 -10.559 0.117 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.917 -10.586 1.018 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.397 -9.082 -0.294 1.00 0.00 C ATOM 0 H VAL A 34 15.444 -10.863 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 34 14.526 -10.756 1.762 1.00 0.00 H new ATOM 0 HB VAL A 34 13.033 -11.152 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.091 -10.094 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.646 -11.620 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.127 -10.063 1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.490 -8.691 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.638 -8.491 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.221 -9.023 -1.005 1.00 0.00 H new ATOM 468 N GLY A 35 14.457 -13.225 2.320 1.00 0.00 N ATOM 469 CA GLY A 35 14.664 -14.673 2.631 1.00 0.00 C ATOM 470 C GLY A 35 16.106 -15.258 2.606 1.00 0.00 C ATOM 471 O GLY A 35 16.248 -16.476 2.713 1.00 0.00 O ATOM 0 H GLY A 35 14.542 -12.610 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.253 -14.857 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.064 -15.249 1.926 1.00 0.00 H new ATOM 475 N ARG A 36 17.160 -14.432 2.499 1.00 0.00 N ATOM 476 CA ARG A 36 18.584 -14.869 2.598 1.00 0.00 C ATOM 477 C ARG A 36 19.137 -14.669 4.042 1.00 0.00 C ATOM 478 O ARG A 36 18.776 -13.695 4.713 1.00 0.00 O ATOM 479 CB ARG A 36 19.349 -13.981 1.581 1.00 0.00 C ATOM 480 CG ARG A 36 20.868 -14.226 1.399 1.00 0.00 C ATOM 481 CD ARG A 36 21.550 -13.182 0.488 1.00 0.00 C ATOM 482 NE ARG A 36 21.231 -13.332 -0.960 1.00 0.00 N ATOM 483 CZ ARG A 36 21.812 -14.196 -1.798 1.00 0.00 C ATOM 484 NH1 ARG A 36 22.789 -15.001 -1.454 1.00 0.00 N ATOM 485 NH2 ARG A 36 21.397 -14.253 -3.030 1.00 0.00 N ATOM 0 H ARG A 36 17.058 -13.430 2.340 1.00 0.00 H new ATOM 0 HA ARG A 36 18.698 -15.931 2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.873 -14.101 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.212 -12.941 1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.350 -14.216 2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 36 21.021 -15.220 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.253 -12.185 0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.630 -13.252 0.620 1.00 0.00 H new ATOM 0 HE ARG A 36 20.508 -12.724 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 36 23.147 -14.990 -0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.191 -15.638 -2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.640 -13.644 -3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 36 21.829 -14.906 -3.684 1.00 0.00 H new ATOM 499 N THR A 37 20.082 -15.518 4.502 1.00 0.00 N ATOM 500 CA THR A 37 20.747 -15.310 5.826 1.00 0.00 C ATOM 501 C THR A 37 21.537 -13.962 5.943 1.00 0.00 C ATOM 502 O THR A 37 22.092 -13.443 4.965 1.00 0.00 O ATOM 503 CB THR A 37 21.523 -16.570 6.324 1.00 0.00 C ATOM 504 OG1 THR A 37 21.417 -16.656 7.741 1.00 0.00 O ATOM 505 CG2 THR A 37 23.025 -16.585 6.001 1.00 0.00 C ATOM 0 H THR A 37 20.403 -16.342 3.994 1.00 0.00 H new ATOM 0 HA THR A 37 19.935 -15.185 6.542 1.00 0.00 H new ATOM 0 HB THR A 37 21.063 -17.405 5.796 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.495 -16.879 7.987 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.471 -17.501 6.389 1.00 0.00 H new ATOM 0 HG22 THR A 37 23.165 -16.542 4.921 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.505 -15.723 6.464 1.00 0.00 H new ATOM 513 N VAL A 38 21.609 -13.427 7.170 1.00 0.00 N ATOM 514 CA VAL A 38 22.404 -12.211 7.477 1.00 0.00 C ATOM 515 C VAL A 38 23.920 -12.598 7.566 1.00 0.00 C ATOM 516 O VAL A 38 24.315 -13.434 8.385 1.00 0.00 O ATOM 517 CB VAL A 38 21.844 -11.496 8.757 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.579 -10.164 9.047 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.315 -11.240 8.755 1.00 0.00 C ATOM 0 H VAL A 38 21.124 -13.816 7.979 1.00 0.00 H new ATOM 0 HA VAL A 38 22.314 -11.477 6.676 1.00 0.00 H new ATOM 0 HB VAL A 38 22.040 -12.215 9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.159 -9.704 9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.640 -10.360 9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.457 -9.489 8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.028 -10.742 9.681 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.053 -10.607 7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.787 -12.190 8.675 1.00 0.00 H new ATOM 529 N ALA A 39 24.731 -12.030 6.651 1.00 0.00 N ATOM 530 CA ALA A 39 26.035 -12.610 6.220 1.00 0.00 C ATOM 531 C ALA A 39 25.897 -13.902 5.342 1.00 0.00 C ATOM 532 O ALA A 39 26.155 -15.018 5.804 1.00 0.00 O ATOM 533 CB ALA A 39 27.076 -12.732 7.351 1.00 0.00 C ATOM 0 H ALA A 39 24.506 -11.152 6.184 1.00 0.00 H new ATOM 0 HA ALA A 39 26.454 -11.862 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.995 -13.162 6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.285 -11.744 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.684 -13.376 8.138 1.00 0.00 H new ATOM 539 N GLY A 40 25.513 -13.746 4.061 1.00 0.00 N ATOM 540 CA GLY A 40 25.376 -14.904 3.135 1.00 0.00 C ATOM 541 C GLY A 40 25.387 -14.574 1.632 1.00 0.00 C ATOM 542 O GLY A 40 24.397 -14.825 0.939 1.00 0.00 O ATOM 0 H GLY A 40 25.293 -12.843 3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 40 26.187 -15.604 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 40 24.444 -15.420 3.366 1.00 0.00 H new ATOM 546 N VAL A 41 26.517 -14.056 1.122 1.00 0.00 N ATOM 547 CA VAL A 41 26.732 -13.841 -0.344 1.00 0.00 C ATOM 548 C VAL A 41 28.168 -14.353 -0.710 1.00 0.00 C ATOM 549 O VAL A 41 29.162 -14.015 -0.059 1.00 0.00 O ATOM 550 CB VAL A 41 26.466 -12.354 -0.779 1.00 0.00 C ATOM 551 CG1 VAL A 41 26.835 -12.068 -2.252 1.00 0.00 C ATOM 552 CG2 VAL A 41 24.982 -11.936 -0.622 1.00 0.00 C ATOM 0 H VAL A 41 27.310 -13.772 1.698 1.00 0.00 H new ATOM 0 HA VAL A 41 26.002 -14.417 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 41 27.107 -11.781 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 41 26.626 -11.024 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 41 27.895 -12.269 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 41 26.245 -12.710 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 41 24.860 -10.900 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 41 24.355 -12.579 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 41 24.685 -12.034 0.422 1.00 0.00 H new ATOM 562 N ASP A 42 28.258 -15.126 -1.808 1.00 0.00 N ATOM 563 CA ASP A 42 29.537 -15.661 -2.357 1.00 0.00 C ATOM 564 C ASP A 42 30.626 -14.590 -2.709 1.00 0.00 C ATOM 565 O ASP A 42 30.425 -13.772 -3.614 1.00 0.00 O ATOM 566 CB ASP A 42 29.205 -16.574 -3.577 1.00 0.00 C ATOM 567 CG ASP A 42 28.348 -16.029 -4.737 1.00 0.00 C ATOM 568 OD1 ASP A 42 28.796 -14.834 -5.226 1.00 0.00 O ATOM 569 OD2 ASP A 42 27.355 -16.613 -5.158 1.00 0.00 O ATOM 0 H ASP A 42 27.441 -15.405 -2.351 1.00 0.00 H new ATOM 0 HA ASP A 42 30.008 -16.233 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 42 30.153 -16.905 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 42 28.702 -17.461 -3.191 1.00 0.00 H new ATOM 574 N GLY A 43 31.766 -14.612 -2.000 1.00 0.00 N ATOM 575 CA GLY A 43 32.849 -13.605 -2.195 1.00 0.00 C ATOM 576 C GLY A 43 32.969 -12.454 -1.167 1.00 0.00 C ATOM 577 O GLY A 43 34.079 -11.960 -0.966 1.00 0.00 O ATOM 0 H GLY A 43 31.972 -15.310 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.800 -14.137 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.716 -13.159 -3.181 1.00 0.00 H new ATOM 581 N PHE A 44 31.865 -11.995 -0.551 1.00 0.00 N ATOM 582 CA PHE A 44 31.896 -10.859 0.410 1.00 0.00 C ATOM 583 C PHE A 44 32.215 -11.330 1.871 1.00 0.00 C ATOM 584 O PHE A 44 31.583 -12.254 2.392 1.00 0.00 O ATOM 585 CB PHE A 44 30.545 -10.099 0.291 1.00 0.00 C ATOM 586 CG PHE A 44 30.628 -8.645 0.781 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.054 -7.643 -0.096 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.353 -8.320 2.112 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.218 -6.338 0.357 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.523 -7.015 2.567 1.00 0.00 C ATOM 591 CZ PHE A 44 30.951 -6.023 1.688 1.00 0.00 C ATOM 0 H PHE A 44 30.935 -12.389 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 44 32.710 -10.178 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.220 -10.108 -0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.785 -10.628 0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.257 -7.883 -1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.007 -9.085 2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.552 -5.569 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.323 -6.772 3.600 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.076 -5.009 2.038 1.00 0.00 H new ATOM 601 N ASN A 45 33.193 -10.682 2.531 1.00 0.00 N ATOM 602 CA ASN A 45 33.706 -11.125 3.866 1.00 0.00 C ATOM 603 C ASN A 45 32.921 -10.677 5.150 1.00 0.00 C ATOM 604 O ASN A 45 33.026 -11.360 6.170 1.00 0.00 O ATOM 605 CB ASN A 45 35.216 -10.747 3.896 1.00 0.00 C ATOM 606 CG ASN A 45 36.052 -11.370 5.021 1.00 0.00 C ATOM 607 OD1 ASN A 45 36.411 -10.722 5.997 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.406 -12.629 4.923 1.00 0.00 N ATOM 0 H ASN A 45 33.653 -9.846 2.170 1.00 0.00 H new ATOM 0 HA ASN A 45 33.540 -12.200 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 45 35.659 -11.033 2.942 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.295 -9.663 3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.974 -13.058 5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 45 36.114 -13.180 4.116 1.00 0.00 H new ATOM 615 N TYR A 46 32.141 -9.582 5.101 1.00 0.00 N ATOM 616 CA TYR A 46 31.222 -9.139 6.198 1.00 0.00 C ATOM 617 C TYR A 46 31.885 -8.714 7.560 1.00 0.00 C ATOM 618 O TYR A 46 33.034 -9.052 7.858 1.00 0.00 O ATOM 619 CB TYR A 46 30.052 -10.157 6.374 1.00 0.00 C ATOM 620 CG TYR A 46 29.065 -10.290 5.203 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.050 -9.345 5.019 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.156 -11.375 4.326 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.123 -9.501 3.993 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.241 -11.519 3.286 1.00 0.00 C ATOM 625 CZ TYR A 46 27.213 -10.592 3.133 1.00 0.00 C ATOM 626 OH TYR A 46 26.253 -10.784 2.179 1.00 0.00 O ATOM 0 H TYR A 46 32.122 -8.962 4.292 1.00 0.00 H new ATOM 0 HA TYR A 46 30.821 -8.186 5.852 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.483 -11.139 6.568 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.488 -9.875 7.263 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.986 -8.490 5.676 1.00 0.00 H new ATOM 0 HD2 TYR A 46 29.941 -12.106 4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.333 -8.775 3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.328 -12.348 2.599 1.00 0.00 H new ATOM 0 HH TYR A 46 26.079 -11.743 2.079 1.00 0.00 H new ATOM 636 N SER A 47 31.145 -7.976 8.418 1.00 0.00 N ATOM 637 CA SER A 47 31.588 -7.691 9.812 1.00 0.00 C ATOM 638 C SER A 47 31.302 -8.863 10.813 1.00 0.00 C ATOM 639 O SER A 47 30.423 -9.707 10.603 1.00 0.00 O ATOM 640 CB SER A 47 31.002 -6.326 10.264 1.00 0.00 C ATOM 641 OG SER A 47 29.611 -6.367 10.595 1.00 0.00 O ATOM 0 H SER A 47 30.243 -7.567 8.176 1.00 0.00 H new ATOM 0 HA SER A 47 32.675 -7.615 9.819 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.560 -5.973 11.131 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.154 -5.597 9.468 1.00 0.00 H new ATOM 0 HG SER A 47 29.344 -5.512 10.992 1.00 0.00 H new ATOM 647 N ASP A 48 32.038 -8.892 11.941 1.00 0.00 N ATOM 648 CA ASP A 48 31.811 -9.886 13.035 1.00 0.00 C ATOM 649 C ASP A 48 30.376 -9.878 13.690 1.00 0.00 C ATOM 650 O ASP A 48 29.813 -10.974 13.770 1.00 0.00 O ATOM 651 CB ASP A 48 32.933 -9.785 14.106 1.00 0.00 C ATOM 652 CG ASP A 48 34.346 -10.117 13.621 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.580 -11.463 13.581 1.00 0.00 O ATOM 654 OD2 ASP A 48 35.164 -9.258 13.305 1.00 0.00 O ATOM 0 H ASP A 48 32.800 -8.240 12.129 1.00 0.00 H new ATOM 0 HA ASP A 48 31.859 -10.857 12.542 1.00 0.00 H new ATOM 0 HB2 ASP A 48 32.936 -8.772 14.508 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.685 -10.454 14.930 1.00 0.00 H new ATOM 659 N PRO A 49 29.719 -8.756 14.127 1.00 0.00 N ATOM 660 CA PRO A 49 28.288 -8.780 14.557 1.00 0.00 C ATOM 661 C PRO A 49 27.209 -9.045 13.446 1.00 0.00 C ATOM 662 O PRO A 49 26.135 -9.565 13.756 1.00 0.00 O ATOM 663 CB PRO A 49 28.155 -7.423 15.266 1.00 0.00 C ATOM 664 CG PRO A 49 29.127 -6.505 14.529 1.00 0.00 C ATOM 665 CD PRO A 49 30.291 -7.394 14.109 1.00 0.00 C ATOM 0 HA PRO A 49 28.070 -9.642 15.187 1.00 0.00 H new ATOM 0 HB2 PRO A 49 27.134 -7.045 15.210 1.00 0.00 H new ATOM 0 HB3 PRO A 49 28.409 -7.502 16.323 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.652 -6.046 13.662 1.00 0.00 H new ATOM 0 HG3 PRO A 49 29.466 -5.694 15.174 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.660 -7.128 13.118 1.00 0.00 H new ATOM 0 HD3 PRO A 49 31.132 -7.304 14.797 1.00 0.00 H new ATOM 673 N MET A 50 27.506 -8.756 12.163 1.00 0.00 N ATOM 674 CA MET A 50 26.738 -9.292 11.002 1.00 0.00 C ATOM 675 C MET A 50 26.757 -10.856 10.871 1.00 0.00 C ATOM 676 O MET A 50 25.690 -11.471 10.804 1.00 0.00 O ATOM 677 CB MET A 50 27.277 -8.554 9.748 1.00 0.00 C ATOM 678 CG MET A 50 26.433 -8.727 8.481 1.00 0.00 C ATOM 679 SD MET A 50 24.840 -7.932 8.720 1.00 0.00 S ATOM 680 CE MET A 50 24.672 -7.045 7.173 1.00 0.00 C ATOM 0 H MET A 50 28.280 -8.148 11.895 1.00 0.00 H new ATOM 0 HA MET A 50 25.675 -9.096 11.140 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.351 -7.490 9.975 1.00 0.00 H new ATOM 0 HB3 MET A 50 28.288 -8.907 9.544 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.947 -8.289 7.625 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.295 -9.786 8.263 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.615 -6.908 6.945 1.00 0.00 H new ATOM 0 HE2 MET A 50 25.154 -6.071 7.258 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.145 -7.615 6.373 1.00 0.00 H new ATOM 690 N LYS A 51 27.946 -11.493 10.894 1.00 0.00 N ATOM 691 CA LYS A 51 28.075 -12.976 11.032 1.00 0.00 C ATOM 692 C LYS A 51 27.509 -13.605 12.352 1.00 0.00 C ATOM 693 O LYS A 51 26.928 -14.691 12.290 1.00 0.00 O ATOM 694 CB LYS A 51 29.561 -13.364 10.783 1.00 0.00 C ATOM 695 CG LYS A 51 29.952 -13.416 9.288 1.00 0.00 C ATOM 696 CD LYS A 51 31.452 -13.651 9.039 1.00 0.00 C ATOM 697 CE LYS A 51 31.720 -14.096 7.591 1.00 0.00 C ATOM 698 NZ LYS A 51 33.164 -14.064 7.300 1.00 0.00 N ATOM 0 H LYS A 51 28.841 -11.009 10.819 1.00 0.00 H new ATOM 0 HA LYS A 51 27.424 -13.414 10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.204 -12.646 11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.752 -14.338 11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.385 -14.211 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 51 29.658 -12.480 8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.004 -12.735 9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 51 31.822 -14.410 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 51 31.334 -15.104 7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.189 -13.442 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 33.406 -14.844 6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.408 -13.157 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 33.699 -14.168 8.186 1.00 0.00 H new ATOM 711 N ALA A 52 27.619 -12.936 13.517 1.00 0.00 N ATOM 712 CA ALA A 52 26.873 -13.332 14.747 1.00 0.00 C ATOM 713 C ALA A 52 25.304 -13.252 14.721 1.00 0.00 C ATOM 714 O ALA A 52 24.666 -13.949 15.514 1.00 0.00 O ATOM 715 CB ALA A 52 27.447 -12.502 15.909 1.00 0.00 C ATOM 0 H ALA A 52 28.215 -12.118 13.641 1.00 0.00 H new ATOM 0 HA ALA A 52 27.031 -14.405 14.855 1.00 0.00 H new ATOM 0 HB1 ALA A 52 26.928 -12.761 16.832 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.510 -12.716 16.018 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.310 -11.441 15.701 1.00 0.00 H new ATOM 721 N HIS A 53 24.676 -12.458 13.826 1.00 0.00 N ATOM 722 CA HIS A 53 23.209 -12.526 13.564 1.00 0.00 C ATOM 723 C HIS A 53 22.782 -13.876 12.888 1.00 0.00 C ATOM 724 O HIS A 53 22.056 -14.656 13.512 1.00 0.00 O ATOM 725 CB HIS A 53 22.786 -11.230 12.800 1.00 0.00 C ATOM 726 CG HIS A 53 21.280 -10.933 12.674 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.301 -11.861 12.332 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.707 -9.649 12.766 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.209 -11.037 12.267 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.350 -9.698 12.505 1.00 0.00 N ATOM 0 H HIS A 53 25.160 -11.756 13.266 1.00 0.00 H new ATOM 0 HA HIS A 53 22.654 -12.544 14.502 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.255 -10.380 13.296 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.203 -11.282 11.794 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.253 -8.749 13.007 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.238 -11.444 12.028 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.655 -8.951 12.493 1.00 0.00 H new ATOM 738 N GLY A 54 23.194 -14.150 11.631 1.00 0.00 N ATOM 739 CA GLY A 54 22.698 -15.328 10.868 1.00 0.00 C ATOM 740 C GLY A 54 21.203 -15.237 10.485 1.00 0.00 C ATOM 741 O GLY A 54 20.778 -14.253 9.882 1.00 0.00 O ATOM 0 H GLY A 54 23.866 -13.577 11.120 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.290 -15.437 9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.857 -16.228 11.462 1.00 0.00 H new ATOM 745 N GLY A 55 20.392 -16.257 10.808 1.00 0.00 N ATOM 746 CA GLY A 55 18.909 -16.176 10.651 1.00 0.00 C ATOM 747 C GLY A 55 18.417 -15.917 9.209 1.00 0.00 C ATOM 748 O GLY A 55 18.877 -16.606 8.293 1.00 0.00 O ATOM 0 H GLY A 55 20.724 -17.148 11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.470 -17.108 11.007 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.534 -15.381 11.295 1.00 0.00 H new ATOM 752 N ASP A 56 17.558 -14.899 9.002 1.00 0.00 N ATOM 753 CA ASP A 56 17.223 -14.399 7.640 1.00 0.00 C ATOM 754 C ASP A 56 16.848 -12.885 7.582 1.00 0.00 C ATOM 755 O ASP A 56 16.210 -12.331 8.485 1.00 0.00 O ATOM 756 CB ASP A 56 16.078 -15.228 6.986 1.00 0.00 C ATOM 757 CG ASP A 56 16.450 -16.622 6.485 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.266 -16.833 5.596 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.774 -17.606 7.138 1.00 0.00 O ATOM 0 H ASP A 56 17.081 -14.403 9.755 1.00 0.00 H new ATOM 0 HA ASP A 56 18.147 -14.525 7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.272 -15.330 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.680 -14.658 6.146 1.00 0.00 H new ATOM 764 N TRP A 57 17.135 -12.260 6.421 1.00 0.00 N ATOM 765 CA TRP A 57 16.513 -10.976 6.010 1.00 0.00 C ATOM 766 C TRP A 57 15.058 -11.164 5.475 1.00 0.00 C ATOM 767 O TRP A 57 14.798 -11.220 4.270 1.00 0.00 O ATOM 768 CB TRP A 57 17.432 -10.240 4.987 1.00 0.00 C ATOM 769 CG TRP A 57 18.624 -9.466 5.568 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.970 -9.656 5.190 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.656 -8.569 6.632 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.846 -8.912 6.005 1.00 0.00 N ATOM 773 CE2 TRP A 57 20.014 -8.290 6.918 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.632 -8.085 7.494 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.361 -7.640 8.123 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.000 -7.430 8.666 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.345 -7.235 8.989 1.00 0.00 C ATOM 0 H TRP A 57 17.802 -12.627 5.742 1.00 0.00 H new ATOM 0 HA TRP A 57 16.419 -10.347 6.895 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.815 -10.977 4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.818 -9.543 4.417 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.289 -10.292 4.378 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.862 -8.847 5.937 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.590 -8.223 7.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.397 -7.459 8.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.234 -7.067 9.336 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.603 -6.763 9.925 1.00 0.00 H new ATOM 788 N THR A 58 14.103 -11.223 6.410 1.00 0.00 N ATOM 789 CA THR A 58 12.644 -11.296 6.107 1.00 0.00 C ATOM 790 C THR A 58 12.052 -9.941 5.561 1.00 0.00 C ATOM 791 O THR A 58 12.622 -8.880 5.858 1.00 0.00 O ATOM 792 CB THR A 58 11.880 -11.755 7.397 1.00 0.00 C ATOM 793 OG1 THR A 58 12.074 -10.848 8.479 1.00 0.00 O ATOM 794 CG2 THR A 58 12.235 -13.160 7.915 1.00 0.00 C ATOM 0 H THR A 58 14.308 -11.222 7.409 1.00 0.00 H new ATOM 0 HA THR A 58 12.508 -12.022 5.306 1.00 0.00 H new ATOM 0 HB THR A 58 10.842 -11.775 7.065 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.582 -11.166 9.265 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.650 -13.377 8.809 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.009 -13.899 7.146 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.297 -13.201 8.157 1.00 0.00 H new ATOM 802 N PRO A 59 10.873 -9.882 4.860 1.00 0.00 N ATOM 803 CA PRO A 59 10.175 -8.584 4.561 1.00 0.00 C ATOM 804 C PRO A 59 9.567 -7.751 5.760 1.00 0.00 C ATOM 805 O PRO A 59 8.681 -6.914 5.567 1.00 0.00 O ATOM 806 CB PRO A 59 9.123 -9.063 3.536 1.00 0.00 C ATOM 807 CG PRO A 59 8.799 -10.505 3.923 1.00 0.00 C ATOM 808 CD PRO A 59 10.143 -11.073 4.371 1.00 0.00 C ATOM 0 HA PRO A 59 10.879 -7.827 4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.230 -8.438 3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.513 -9.008 2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.060 -10.548 4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.390 -11.063 3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.022 -11.820 5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.669 -11.557 3.548 1.00 0.00 H new ATOM 816 N GLU A 60 10.104 -7.951 6.972 1.00 0.00 N ATOM 817 CA GLU A 60 9.837 -7.150 8.198 1.00 0.00 C ATOM 818 C GLU A 60 11.177 -6.759 8.915 1.00 0.00 C ATOM 819 O GLU A 60 11.356 -5.585 9.249 1.00 0.00 O ATOM 820 CB GLU A 60 8.857 -7.895 9.148 1.00 0.00 C ATOM 821 CG GLU A 60 7.404 -8.095 8.635 1.00 0.00 C ATOM 822 CD GLU A 60 6.591 -6.833 8.321 1.00 0.00 C ATOM 823 OE1 GLU A 60 6.901 -5.693 8.660 1.00 0.00 O ATOM 824 OE2 GLU A 60 5.465 -7.122 7.614 1.00 0.00 O ATOM 0 H GLU A 60 10.767 -8.707 7.143 1.00 0.00 H new ATOM 0 HA GLU A 60 9.349 -6.221 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.278 -8.876 9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.813 -7.347 10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.446 -8.703 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.858 -8.671 9.382 1.00 0.00 H new ATOM 831 N ALA A 61 12.148 -7.687 9.101 1.00 0.00 N ATOM 832 CA ALA A 61 13.551 -7.339 9.473 1.00 0.00 C ATOM 833 C ALA A 61 14.290 -6.337 8.519 1.00 0.00 C ATOM 834 O ALA A 61 14.885 -5.371 9.007 1.00 0.00 O ATOM 835 CB ALA A 61 14.315 -8.667 9.636 1.00 0.00 C ATOM 0 H ALA A 61 11.988 -8.689 9.000 1.00 0.00 H new ATOM 0 HA ALA A 61 13.517 -6.774 10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.350 -8.460 9.909 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.845 -9.263 10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.291 -9.218 8.696 1.00 0.00 H new ATOM 841 N LEU A 62 14.182 -6.496 7.181 1.00 0.00 N ATOM 842 CA LEU A 62 14.542 -5.417 6.209 1.00 0.00 C ATOM 843 C LEU A 62 13.758 -4.068 6.351 1.00 0.00 C ATOM 844 O LEU A 62 14.346 -3.023 6.090 1.00 0.00 O ATOM 845 CB LEU A 62 14.409 -5.925 4.748 1.00 0.00 C ATOM 846 CG LEU A 62 15.358 -7.058 4.284 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.893 -7.632 2.937 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.803 -6.547 4.147 1.00 0.00 C ATOM 0 H LEU A 62 13.850 -7.355 6.742 1.00 0.00 H new ATOM 0 HA LEU A 62 15.576 -5.183 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.384 -6.268 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.555 -5.073 4.084 1.00 0.00 H new ATOM 0 HG LEU A 62 15.331 -7.842 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.571 -8.427 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.886 -8.035 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.892 -6.842 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.448 -7.363 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.836 -5.742 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.150 -6.174 5.111 1.00 0.00 H new ATOM 860 N GLN A 63 12.475 -4.051 6.760 1.00 0.00 N ATOM 861 CA GLN A 63 11.705 -2.781 6.961 1.00 0.00 C ATOM 862 C GLN A 63 12.244 -1.812 8.072 1.00 0.00 C ATOM 863 O GLN A 63 12.148 -0.593 7.897 1.00 0.00 O ATOM 864 CB GLN A 63 10.202 -3.083 7.246 1.00 0.00 C ATOM 865 CG GLN A 63 9.385 -3.872 6.189 1.00 0.00 C ATOM 866 CD GLN A 63 8.774 -3.096 5.018 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.858 -1.883 4.879 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.097 -3.789 4.138 1.00 0.00 N ATOM 0 H GLN A 63 11.939 -4.895 6.961 1.00 0.00 H new ATOM 0 HA GLN A 63 11.838 -2.252 6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.148 -3.635 8.184 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.699 -2.130 7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.034 -4.643 5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.574 -4.383 6.709 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.017 -4.801 4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.650 -3.317 3.352 1.00 0.00 H new ATOM 877 N GLU A 64 12.791 -2.326 9.193 1.00 0.00 N ATOM 878 CA GLU A 64 13.580 -1.497 10.150 1.00 0.00 C ATOM 879 C GLU A 64 15.117 -1.435 9.865 1.00 0.00 C ATOM 880 O GLU A 64 15.695 -0.374 10.120 1.00 0.00 O ATOM 881 CB GLU A 64 13.233 -1.891 11.612 1.00 0.00 C ATOM 882 CG GLU A 64 13.859 -1.012 12.734 1.00 0.00 C ATOM 883 CD GLU A 64 13.574 0.494 12.678 1.00 0.00 C ATOM 884 OE1 GLU A 64 14.415 1.153 11.820 1.00 0.00 O ATOM 885 OE2 GLU A 64 12.694 1.041 13.335 1.00 0.00 O ATOM 0 H GLU A 64 12.706 -3.306 9.464 1.00 0.00 H new ATOM 0 HA GLU A 64 13.271 -0.464 9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.149 -1.867 11.724 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.547 -2.923 11.771 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.508 -1.388 13.695 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.940 -1.154 12.712 1.00 0.00 H new ATOM 892 N PHE A 65 15.785 -2.486 9.344 1.00 0.00 N ATOM 893 CA PHE A 65 17.191 -2.381 8.842 1.00 0.00 C ATOM 894 C PHE A 65 17.391 -1.388 7.655 1.00 0.00 C ATOM 895 O PHE A 65 18.352 -0.623 7.684 1.00 0.00 O ATOM 896 CB PHE A 65 17.695 -3.806 8.514 1.00 0.00 C ATOM 897 CG PHE A 65 19.159 -3.955 8.054 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.213 -3.882 8.972 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.433 -4.308 6.729 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.509 -4.212 8.585 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.728 -4.650 6.350 1.00 0.00 C ATOM 902 CZ PHE A 65 21.758 -4.635 7.284 1.00 0.00 C ATOM 0 H PHE A 65 15.383 -3.419 9.256 1.00 0.00 H new ATOM 0 HA PHE A 65 17.795 -1.939 9.635 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.557 -4.424 9.401 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.054 -4.218 7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.020 -3.568 9.987 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.638 -4.315 5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.320 -4.140 9.294 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.933 -4.928 5.327 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.751 -4.952 6.999 1.00 0.00 H new ATOM 912 N LEU A 66 16.499 -1.332 6.651 1.00 0.00 N ATOM 913 CA LEU A 66 16.539 -0.248 5.625 1.00 0.00 C ATOM 914 C LEU A 66 16.212 1.215 6.082 1.00 0.00 C ATOM 915 O LEU A 66 16.479 2.141 5.318 1.00 0.00 O ATOM 916 CB LEU A 66 15.702 -0.714 4.401 1.00 0.00 C ATOM 917 CG LEU A 66 16.241 -1.956 3.632 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.385 -2.217 2.385 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.730 -1.836 3.250 1.00 0.00 C ATOM 0 H LEU A 66 15.748 -2.009 6.519 1.00 0.00 H new ATOM 0 HA LEU A 66 17.590 -0.123 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.690 -0.935 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.628 0.117 3.700 1.00 0.00 H new ATOM 0 HG LEU A 66 16.167 -2.804 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.771 -3.088 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.353 -2.402 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.422 -1.347 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.042 -2.734 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.872 -0.966 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.329 -1.723 4.153 1.00 0.00 H new ATOM 931 N THR A 67 15.717 1.443 7.308 1.00 0.00 N ATOM 932 CA THR A 67 15.633 2.799 7.942 1.00 0.00 C ATOM 933 C THR A 67 16.732 3.090 9.014 1.00 0.00 C ATOM 934 O THR A 67 17.196 4.227 9.103 1.00 0.00 O ATOM 935 CB THR A 67 14.178 3.001 8.438 1.00 0.00 C ATOM 936 OG1 THR A 67 13.346 3.066 7.296 1.00 0.00 O ATOM 937 CG2 THR A 67 13.872 4.285 9.214 1.00 0.00 C ATOM 0 H THR A 67 15.357 0.697 7.904 1.00 0.00 H new ATOM 0 HA THR A 67 15.863 3.555 7.192 1.00 0.00 H new ATOM 0 HB THR A 67 14.012 2.169 9.122 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.321 3.987 6.961 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.820 4.296 9.499 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.491 4.325 10.110 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.086 5.150 8.586 1.00 0.00 H new ATOM 945 N ASN A 68 17.140 2.111 9.832 1.00 0.00 N ATOM 946 CA ASN A 68 18.239 2.269 10.815 1.00 0.00 C ATOM 947 C ASN A 68 19.150 0.988 10.716 1.00 0.00 C ATOM 948 O ASN A 68 19.009 0.091 11.558 1.00 0.00 O ATOM 949 CB ASN A 68 17.617 2.534 12.213 1.00 0.00 C ATOM 950 CG ASN A 68 17.069 3.943 12.455 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.805 4.920 12.518 1.00 0.00 O ATOM 952 ND2 ASN A 68 15.778 4.095 12.634 1.00 0.00 N ATOM 0 H ASN A 68 16.721 1.181 9.837 1.00 0.00 H new ATOM 0 HA ASN A 68 18.883 3.126 10.615 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.808 1.821 12.368 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.374 2.327 12.969 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.395 5.021 12.824 1.00 0.00 H new ATOM 0 HD22 ASN A 68 15.157 3.287 12.583 1.00 0.00 H new ATOM 959 N PRO A 69 20.101 0.854 9.732 1.00 0.00 N ATOM 960 CA PRO A 69 20.989 -0.340 9.593 1.00 0.00 C ATOM 961 C PRO A 69 21.816 -0.749 10.845 1.00 0.00 C ATOM 962 O PRO A 69 21.799 -1.905 11.275 1.00 0.00 O ATOM 963 CB PRO A 69 21.873 0.015 8.369 1.00 0.00 C ATOM 964 CG PRO A 69 21.089 1.052 7.566 1.00 0.00 C ATOM 965 CD PRO A 69 20.216 1.771 8.585 1.00 0.00 C ATOM 0 HA PRO A 69 20.391 -1.242 9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.836 0.415 8.687 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.078 -0.870 7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.759 1.748 7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.483 0.577 6.795 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.664 2.718 8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.236 2.000 8.168 1.00 0.00 H new ATOM 973 N LYS A 70 22.476 0.250 11.446 1.00 0.00 N ATOM 974 CA LYS A 70 23.214 0.098 12.732 1.00 0.00 C ATOM 975 C LYS A 70 22.363 -0.133 14.025 1.00 0.00 C ATOM 976 O LYS A 70 22.908 -0.621 15.013 1.00 0.00 O ATOM 977 CB LYS A 70 24.167 1.313 12.916 1.00 0.00 C ATOM 978 CG LYS A 70 25.239 1.414 11.814 1.00 0.00 C ATOM 979 CD LYS A 70 26.397 2.378 12.121 1.00 0.00 C ATOM 980 CE LYS A 70 27.428 2.390 10.980 1.00 0.00 C ATOM 981 NZ LYS A 70 28.515 3.340 11.284 1.00 0.00 N ATOM 0 H LYS A 70 22.520 1.194 11.062 1.00 0.00 H new ATOM 0 HA LYS A 70 23.758 -0.841 12.628 1.00 0.00 H new ATOM 0 HB2 LYS A 70 23.578 2.230 12.927 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.658 1.238 13.886 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.651 0.420 11.636 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.758 1.730 10.888 1.00 0.00 H new ATOM 0 HD2 LYS A 70 26.006 3.384 12.272 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.883 2.082 13.051 1.00 0.00 H new ATOM 0 HE2 LYS A 70 27.838 1.390 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 70 26.943 2.669 10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 29.205 3.339 10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.120 4.296 11.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.988 3.056 12.166 1.00 0.00 H new ATOM 994 N ALA A 71 21.057 0.182 14.039 1.00 0.00 N ATOM 995 CA ALA A 71 20.136 -0.267 15.123 1.00 0.00 C ATOM 996 C ALA A 71 19.775 -1.790 15.110 1.00 0.00 C ATOM 997 O ALA A 71 19.786 -2.421 16.169 1.00 0.00 O ATOM 998 CB ALA A 71 18.881 0.621 15.071 1.00 0.00 C ATOM 0 H ALA A 71 20.606 0.745 13.318 1.00 0.00 H new ATOM 0 HA ALA A 71 20.664 -0.150 16.069 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.187 0.316 15.854 1.00 0.00 H new ATOM 0 HB2 ALA A 71 19.165 1.662 15.224 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.400 0.515 14.098 1.00 0.00 H new ATOM 1004 N VAL A 72 19.467 -2.382 13.937 1.00 0.00 N ATOM 1005 CA VAL A 72 19.224 -3.854 13.804 1.00 0.00 C ATOM 1006 C VAL A 72 20.561 -4.685 13.829 1.00 0.00 C ATOM 1007 O VAL A 72 20.629 -5.673 14.565 1.00 0.00 O ATOM 1008 CB VAL A 72 18.287 -4.130 12.572 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.069 -5.629 12.265 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.877 -3.498 12.682 1.00 0.00 C ATOM 0 H VAL A 72 19.378 -1.870 13.059 1.00 0.00 H new ATOM 0 HA VAL A 72 18.687 -4.215 14.681 1.00 0.00 H new ATOM 0 HB VAL A 72 18.846 -3.655 11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.411 -5.732 11.402 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.028 -6.099 12.049 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.613 -6.115 13.128 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.300 -3.739 11.790 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.368 -3.894 13.561 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.969 -2.416 12.773 1.00 0.00 H new ATOM 1020 N VAL A 73 21.604 -4.317 13.053 1.00 0.00 N ATOM 1021 CA VAL A 73 22.961 -4.940 13.171 1.00 0.00 C ATOM 1022 C VAL A 73 23.927 -3.851 13.739 1.00 0.00 C ATOM 1023 O VAL A 73 24.475 -3.041 12.983 1.00 0.00 O ATOM 1024 CB VAL A 73 23.469 -5.524 11.808 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.884 -6.151 11.898 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.555 -6.596 11.178 1.00 0.00 C ATOM 0 H VAL A 73 21.543 -3.594 12.336 1.00 0.00 H new ATOM 0 HA VAL A 73 22.919 -5.795 13.846 1.00 0.00 H new ATOM 0 HB VAL A 73 23.473 -4.637 11.174 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.174 -6.536 10.920 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.599 -5.392 12.216 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.875 -6.967 12.621 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.990 -6.939 10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.458 -7.439 11.862 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.571 -6.168 10.987 1.00 0.00 H new ATOM 1036 N LYS A 74 24.191 -3.865 15.057 1.00 0.00 N ATOM 1037 CA LYS A 74 25.154 -2.919 15.692 1.00 0.00 C ATOM 1038 C LYS A 74 26.630 -3.274 15.325 1.00 0.00 C ATOM 1039 O LYS A 74 27.163 -4.314 15.720 1.00 0.00 O ATOM 1040 CB LYS A 74 24.937 -2.912 17.228 1.00 0.00 C ATOM 1041 CG LYS A 74 23.639 -2.218 17.699 1.00 0.00 C ATOM 1042 CD LYS A 74 23.470 -2.133 19.229 1.00 0.00 C ATOM 1043 CE LYS A 74 22.875 -3.370 19.930 1.00 0.00 C ATOM 1044 NZ LYS A 74 23.876 -4.434 20.144 1.00 0.00 N ATOM 0 H LYS A 74 23.757 -4.516 15.711 1.00 0.00 H new ATOM 0 HA LYS A 74 24.967 -1.917 15.307 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.931 -3.942 17.584 1.00 0.00 H new ATOM 0 HB3 LYS A 74 25.787 -2.418 17.698 1.00 0.00 H new ATOM 0 HG2 LYS A 74 23.614 -1.209 17.288 1.00 0.00 H new ATOM 0 HG3 LYS A 74 22.786 -2.753 17.282 1.00 0.00 H new ATOM 0 HD2 LYS A 74 24.447 -1.930 19.668 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.835 -1.276 19.454 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.455 -3.072 20.891 1.00 0.00 H new ATOM 0 HE3 LYS A 74 22.054 -3.763 19.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 23.537 -5.087 20.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 24.022 -4.957 19.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 24.775 -4.009 20.447 1.00 0.00 H new ATOM 1057 N GLY A 75 27.251 -2.407 14.514 1.00 0.00 N ATOM 1058 CA GLY A 75 28.502 -2.750 13.779 1.00 0.00 C ATOM 1059 C GLY A 75 28.355 -3.429 12.390 1.00 0.00 C ATOM 1060 O GLY A 75 29.178 -4.276 12.027 1.00 0.00 O ATOM 0 H GLY A 75 26.916 -1.459 14.342 1.00 0.00 H new ATOM 0 HA2 GLY A 75 29.076 -1.833 13.646 1.00 0.00 H new ATOM 0 HA3 GLY A 75 29.095 -3.408 14.414 1.00 0.00 H new ATOM 1064 N THR A 76 27.379 -3.007 11.569 1.00 0.00 N ATOM 1065 CA THR A 76 27.374 -3.274 10.111 1.00 0.00 C ATOM 1066 C THR A 76 28.371 -2.313 9.391 1.00 0.00 C ATOM 1067 O THR A 76 28.361 -1.099 9.618 1.00 0.00 O ATOM 1068 CB THR A 76 25.914 -3.188 9.565 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.876 -3.669 8.228 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.199 -1.830 9.554 1.00 0.00 C ATOM 0 H THR A 76 26.572 -2.473 11.890 1.00 0.00 H new ATOM 0 HA THR A 76 27.723 -4.286 9.906 1.00 0.00 H new ATOM 0 HB THR A 76 25.373 -3.789 10.296 1.00 0.00 H new ATOM 0 HG1 THR A 76 24.959 -3.616 7.887 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.196 -1.950 9.144 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.131 -1.446 10.572 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.761 -1.128 8.938 1.00 0.00 H new ATOM 1078 N LYS A 77 29.179 -2.837 8.458 1.00 0.00 N ATOM 1079 CA LYS A 77 29.952 -1.981 7.498 1.00 0.00 C ATOM 1080 C LYS A 77 29.106 -1.203 6.414 1.00 0.00 C ATOM 1081 O LYS A 77 29.680 -0.618 5.491 1.00 0.00 O ATOM 1082 CB LYS A 77 31.049 -2.889 6.865 1.00 0.00 C ATOM 1083 CG LYS A 77 32.247 -3.211 7.793 1.00 0.00 C ATOM 1084 CD LYS A 77 33.089 -4.408 7.295 1.00 0.00 C ATOM 1085 CE LYS A 77 34.408 -4.648 8.052 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.207 -5.025 9.468 1.00 0.00 N ATOM 0 H LYS A 77 29.325 -3.839 8.334 1.00 0.00 H new ATOM 0 HA LYS A 77 30.385 -1.156 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.588 -3.826 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.426 -2.404 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.886 -2.331 7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 77 31.876 -3.426 8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 77 32.482 -5.311 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 77 33.318 -4.256 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.970 -5.435 7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 77 35.015 -3.744 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.841 -4.462 10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 33.219 -4.843 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 34.419 -6.036 9.592 1.00 0.00 H new ATOM 1099 N MET A 78 27.763 -1.145 6.539 1.00 0.00 N ATOM 1100 CA MET A 78 26.878 -0.411 5.606 1.00 0.00 C ATOM 1101 C MET A 78 26.757 1.079 6.046 1.00 0.00 C ATOM 1102 O MET A 78 26.005 1.415 6.969 1.00 0.00 O ATOM 1103 CB MET A 78 25.530 -1.185 5.519 1.00 0.00 C ATOM 1104 CG MET A 78 24.479 -0.512 4.611 1.00 0.00 C ATOM 1105 SD MET A 78 23.402 -1.689 3.694 1.00 0.00 S ATOM 1106 CE MET A 78 21.819 -0.879 4.141 1.00 0.00 C ATOM 0 H MET A 78 27.258 -1.609 7.294 1.00 0.00 H new ATOM 0 HA MET A 78 27.286 -0.368 4.596 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.724 -2.192 5.149 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.116 -1.288 6.522 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.851 0.136 5.222 1.00 0.00 H new ATOM 0 HG3 MET A 78 24.993 0.127 3.893 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.987 -1.509 3.827 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.777 -0.733 5.220 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.751 0.087 3.641 1.00 0.00 H new ATOM 1116 N ALA A 79 27.475 1.978 5.345 1.00 0.00 N ATOM 1117 CA ALA A 79 27.390 3.442 5.593 1.00 0.00 C ATOM 1118 C ALA A 79 26.140 4.107 4.919 1.00 0.00 C ATOM 1119 O ALA A 79 26.243 4.894 3.974 1.00 0.00 O ATOM 1120 CB ALA A 79 28.743 4.025 5.139 1.00 0.00 C ATOM 0 H ALA A 79 28.123 1.722 4.600 1.00 0.00 H new ATOM 0 HA ALA A 79 27.227 3.658 6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.745 5.104 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.547 3.572 5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.894 3.812 4.081 1.00 0.00 H new ATOM 1126 N PHE A 80 24.948 3.765 5.436 1.00 0.00 N ATOM 1127 CA PHE A 80 23.648 4.196 4.864 1.00 0.00 C ATOM 1128 C PHE A 80 22.805 4.922 5.957 1.00 0.00 C ATOM 1129 O PHE A 80 22.551 4.386 7.041 1.00 0.00 O ATOM 1130 CB PHE A 80 22.956 2.948 4.250 1.00 0.00 C ATOM 1131 CG PHE A 80 21.626 3.211 3.525 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.584 4.026 2.387 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.443 2.630 3.994 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.378 4.258 1.732 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.240 2.857 3.334 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.209 3.676 2.211 1.00 0.00 C ATOM 0 H PHE A 80 24.852 3.180 6.266 1.00 0.00 H new ATOM 0 HA PHE A 80 23.776 4.924 4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.646 2.482 3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.778 2.226 5.047 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.492 4.477 2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.464 2.002 4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.350 4.888 0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.331 2.398 3.693 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.272 3.861 1.708 1.00 0.00 H new ATOM 1146 N ALA A 81 22.335 6.138 5.635 1.00 0.00 N ATOM 1147 CA ALA A 81 21.503 6.958 6.560 1.00 0.00 C ATOM 1148 C ALA A 81 19.994 6.571 6.723 1.00 0.00 C ATOM 1149 O ALA A 81 19.340 7.110 7.620 1.00 0.00 O ATOM 1150 CB ALA A 81 21.660 8.411 6.069 1.00 0.00 C ATOM 0 H ALA A 81 22.513 6.586 4.736 1.00 0.00 H new ATOM 0 HA ALA A 81 21.870 6.782 7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.074 9.075 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.710 8.699 6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.307 8.488 5.040 1.00 0.00 H new ATOM 1156 N GLY A 82 19.450 5.657 5.897 1.00 0.00 N ATOM 1157 CA GLY A 82 18.063 5.155 6.063 1.00 0.00 C ATOM 1158 C GLY A 82 16.999 5.680 5.076 1.00 0.00 C ATOM 1159 O GLY A 82 16.995 6.843 4.666 1.00 0.00 O ATOM 0 H GLY A 82 19.947 5.248 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.086 4.068 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.735 5.398 7.074 1.00 0.00 H new ATOM 1163 N LEU A 83 16.021 4.814 4.778 1.00 0.00 N ATOM 1164 CA LEU A 83 14.799 5.183 4.021 1.00 0.00 C ATOM 1165 C LEU A 83 13.676 5.788 4.939 1.00 0.00 C ATOM 1166 O LEU A 83 13.373 5.185 5.978 1.00 0.00 O ATOM 1167 CB LEU A 83 14.264 3.940 3.257 1.00 0.00 C ATOM 1168 CG LEU A 83 15.121 3.445 2.065 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.511 2.176 1.464 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.233 4.493 0.950 1.00 0.00 C ATOM 0 H LEU A 83 16.047 3.832 5.053 1.00 0.00 H new ATOM 0 HA LEU A 83 15.076 5.963 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.161 3.120 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.265 4.170 2.888 1.00 0.00 H new ATOM 0 HG LEU A 83 16.117 3.248 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.123 1.839 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.473 1.395 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.501 2.389 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.843 4.097 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.238 4.731 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.697 5.397 1.345 1.00 0.00 H new ATOM 1182 N PRO A 84 13.010 6.934 4.608 1.00 0.00 N ATOM 1183 CA PRO A 84 12.050 7.599 5.535 1.00 0.00 C ATOM 1184 C PRO A 84 10.594 7.027 5.552 1.00 0.00 C ATOM 1185 O PRO A 84 10.077 6.731 6.634 1.00 0.00 O ATOM 1186 CB PRO A 84 12.161 9.067 5.073 1.00 0.00 C ATOM 1187 CG PRO A 84 12.463 9.003 3.571 1.00 0.00 C ATOM 1188 CD PRO A 84 13.315 7.742 3.407 1.00 0.00 C ATOM 0 HA PRO A 84 12.298 7.438 6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.235 9.609 5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.953 9.589 5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.547 8.943 2.984 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.999 9.891 3.235 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.060 7.206 2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.376 7.984 3.350 1.00 0.00 H new ATOM 1196 N LYS A 85 9.931 6.859 4.390 1.00 0.00 N ATOM 1197 CA LYS A 85 8.540 6.340 4.314 1.00 0.00 C ATOM 1198 C LYS A 85 8.506 4.786 4.414 1.00 0.00 C ATOM 1199 O LYS A 85 9.374 4.085 3.878 1.00 0.00 O ATOM 1200 CB LYS A 85 7.888 6.759 2.970 1.00 0.00 C ATOM 1201 CG LYS A 85 7.767 8.273 2.677 1.00 0.00 C ATOM 1202 CD LYS A 85 7.150 8.540 1.287 1.00 0.00 C ATOM 1203 CE LYS A 85 7.045 10.027 0.906 1.00 0.00 C ATOM 1204 NZ LYS A 85 5.951 10.704 1.635 1.00 0.00 N ATOM 0 H LYS A 85 10.337 7.076 3.480 1.00 0.00 H new ATOM 0 HA LYS A 85 7.988 6.763 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.461 6.305 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.888 6.328 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.152 8.744 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.753 8.734 2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.749 8.027 0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.153 8.100 1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.990 10.526 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.877 10.116 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.912 11.704 1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.046 10.244 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.125 10.641 2.658 1.00 0.00 H new ATOM 1217 N ILE A 86 7.460 4.234 5.050 1.00 0.00 N ATOM 1218 CA ILE A 86 7.147 2.767 4.960 1.00 0.00 C ATOM 1219 C ILE A 86 6.862 2.239 3.505 1.00 0.00 C ATOM 1220 O ILE A 86 7.267 1.126 3.161 1.00 0.00 O ATOM 1221 CB ILE A 86 6.068 2.379 6.034 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.944 0.849 6.290 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.656 2.959 5.754 1.00 0.00 C ATOM 1224 CD1 ILE A 86 7.185 0.187 6.917 1.00 0.00 C ATOM 0 H ILE A 86 6.811 4.763 5.632 1.00 0.00 H new ATOM 0 HA ILE A 86 8.058 2.223 5.210 1.00 0.00 H new ATOM 0 HB ILE A 86 6.459 2.847 6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.089 0.674 6.944 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.728 0.355 5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.971 2.645 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.708 4.048 5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.296 2.593 4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.999 -0.878 7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.042 0.323 6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.394 0.647 7.883 1.00 0.00 H new ATOM 1236 N GLU A 87 6.262 3.080 2.640 1.00 0.00 N ATOM 1237 CA GLU A 87 6.151 2.843 1.176 1.00 0.00 C ATOM 1238 C GLU A 87 7.514 2.671 0.425 1.00 0.00 C ATOM 1239 O GLU A 87 7.589 1.849 -0.488 1.00 0.00 O ATOM 1240 CB GLU A 87 5.324 3.983 0.500 1.00 0.00 C ATOM 1241 CG GLU A 87 3.978 4.427 1.144 1.00 0.00 C ATOM 1242 CD GLU A 87 4.110 5.558 2.171 1.00 0.00 C ATOM 1243 OE1 GLU A 87 4.496 5.382 3.325 1.00 0.00 O ATOM 1244 OE2 GLU A 87 3.780 6.775 1.649 1.00 0.00 O ATOM 0 H GLU A 87 5.833 3.957 2.936 1.00 0.00 H new ATOM 0 HA GLU A 87 5.640 1.885 1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.965 4.862 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.112 3.673 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.299 4.748 0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.519 3.565 1.628 1.00 0.00 H new ATOM 1251 N ASP A 88 8.578 3.417 0.796 1.00 0.00 N ATOM 1252 CA ASP A 88 9.907 3.318 0.118 1.00 0.00 C ATOM 1253 C ASP A 88 10.591 1.924 0.283 1.00 0.00 C ATOM 1254 O ASP A 88 10.872 1.258 -0.718 1.00 0.00 O ATOM 1255 CB ASP A 88 10.828 4.486 0.574 1.00 0.00 C ATOM 1256 CG ASP A 88 10.454 5.880 0.065 1.00 0.00 C ATOM 1257 OD1 ASP A 88 9.982 6.105 -1.045 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.724 6.854 0.978 1.00 0.00 O ATOM 0 H ASP A 88 8.551 4.095 1.558 1.00 0.00 H new ATOM 0 HA ASP A 88 9.730 3.413 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.837 4.510 1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.846 4.265 0.252 1.00 0.00 H new ATOM 1263 N ARG A 89 10.805 1.464 1.529 1.00 0.00 N ATOM 1264 CA ARG A 89 11.248 0.070 1.808 1.00 0.00 C ATOM 1265 C ARG A 89 10.267 -1.074 1.383 1.00 0.00 C ATOM 1266 O ARG A 89 10.743 -2.029 0.770 1.00 0.00 O ATOM 1267 CB ARG A 89 11.808 -0.051 3.245 1.00 0.00 C ATOM 1268 CG ARG A 89 10.913 0.406 4.422 1.00 0.00 C ATOM 1269 CD ARG A 89 11.433 1.647 5.177 1.00 0.00 C ATOM 1270 NE ARG A 89 10.942 1.564 6.586 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.482 2.558 7.337 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.264 3.760 6.890 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.268 2.319 8.596 1.00 0.00 N ATOM 0 H ARG A 89 10.680 2.033 2.366 1.00 0.00 H new ATOM 0 HA ARG A 89 12.072 -0.117 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.070 -1.096 3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.735 0.521 3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.915 0.620 4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.814 -0.418 5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.522 1.680 5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.076 2.561 4.701 1.00 0.00 H new ATOM 0 HE ARG A 89 10.962 0.641 7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.448 3.981 5.911 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.909 4.481 7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.453 1.391 8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.915 3.059 9.203 1.00 0.00 H new ATOM 1287 N ALA A 90 8.938 -0.990 1.606 1.00 0.00 N ATOM 1288 CA ALA A 90 7.958 -1.945 1.009 1.00 0.00 C ATOM 1289 C ALA A 90 7.964 -2.101 -0.550 1.00 0.00 C ATOM 1290 O ALA A 90 8.041 -3.228 -1.050 1.00 0.00 O ATOM 1291 CB ALA A 90 6.571 -1.569 1.562 1.00 0.00 C ATOM 0 H ALA A 90 8.511 -0.274 2.194 1.00 0.00 H new ATOM 0 HA ALA A 90 8.265 -2.946 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.820 -2.244 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.578 -1.653 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.332 -0.544 1.279 1.00 0.00 H new ATOM 1297 N ASN A 91 7.955 -0.990 -1.306 1.00 0.00 N ATOM 1298 CA ASN A 91 8.149 -1.003 -2.788 1.00 0.00 C ATOM 1299 C ASN A 91 9.543 -1.546 -3.269 1.00 0.00 C ATOM 1300 O ASN A 91 9.589 -2.352 -4.201 1.00 0.00 O ATOM 1301 CB ASN A 91 7.853 0.416 -3.348 1.00 0.00 C ATOM 1302 CG ASN A 91 6.401 0.919 -3.247 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.423 0.176 -3.226 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.200 2.214 -3.237 1.00 0.00 N ATOM 0 H ASN A 91 7.815 -0.056 -0.921 1.00 0.00 H new ATOM 0 HA ASN A 91 7.440 -1.724 -3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.495 1.126 -2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.145 0.434 -4.398 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.249 2.582 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.994 2.854 -3.254 1.00 0.00 H new ATOM 1311 N LEU A 92 10.663 -1.160 -2.620 1.00 0.00 N ATOM 1312 CA LEU A 92 11.991 -1.831 -2.781 1.00 0.00 C ATOM 1313 C LEU A 92 12.017 -3.369 -2.477 1.00 0.00 C ATOM 1314 O LEU A 92 12.515 -4.146 -3.296 1.00 0.00 O ATOM 1315 CB LEU A 92 12.997 -1.006 -1.923 1.00 0.00 C ATOM 1316 CG LEU A 92 14.520 -1.300 -1.987 1.00 0.00 C ATOM 1317 CD1 LEU A 92 14.936 -2.606 -1.289 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.073 -1.267 -3.417 1.00 0.00 C ATOM 0 H LEU A 92 10.682 -0.376 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 92 12.270 -1.827 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.861 0.042 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.693 -1.113 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 92 14.969 -0.481 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.014 -2.739 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.662 -2.558 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.427 -3.448 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.142 -1.480 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.564 -2.018 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.907 -0.280 -3.849 1.00 0.00 H new ATOM 1330 N ILE A 93 11.480 -3.810 -1.323 1.00 0.00 N ATOM 1331 CA ILE A 93 11.328 -5.256 -0.963 1.00 0.00 C ATOM 1332 C ILE A 93 10.468 -6.053 -2.012 1.00 0.00 C ATOM 1333 O ILE A 93 10.919 -7.103 -2.470 1.00 0.00 O ATOM 1334 CB ILE A 93 10.879 -5.348 0.548 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.002 -4.893 1.541 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.385 -6.752 0.979 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.538 -4.502 2.959 1.00 0.00 C ATOM 0 H ILE A 93 11.133 -3.178 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 93 12.282 -5.780 -1.028 1.00 0.00 H new ATOM 0 HB ILE A 93 10.036 -4.659 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.730 -5.700 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.522 -4.041 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.096 -6.729 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.526 -7.037 0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.186 -7.478 0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.401 -4.205 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.837 -3.670 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.048 -5.354 3.429 1.00 0.00 H new ATOM 1349 N ALA A 94 9.302 -5.541 -2.453 1.00 0.00 N ATOM 1350 CA ALA A 94 8.579 -6.078 -3.643 1.00 0.00 C ATOM 1351 C ALA A 94 9.344 -6.095 -5.014 1.00 0.00 C ATOM 1352 O ALA A 94 9.262 -7.093 -5.735 1.00 0.00 O ATOM 1353 CB ALA A 94 7.259 -5.297 -3.730 1.00 0.00 C ATOM 0 H ALA A 94 8.832 -4.753 -2.007 1.00 0.00 H new ATOM 0 HA ALA A 94 8.439 -7.146 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.684 -5.648 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.683 -5.453 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.472 -4.234 -3.847 1.00 0.00 H new ATOM 1359 N TYR A 95 10.112 -5.040 -5.359 1.00 0.00 N ATOM 1360 CA TYR A 95 11.080 -5.052 -6.496 1.00 0.00 C ATOM 1361 C TYR A 95 12.131 -6.213 -6.451 1.00 0.00 C ATOM 1362 O TYR A 95 12.156 -7.035 -7.373 1.00 0.00 O ATOM 1363 CB TYR A 95 11.676 -3.612 -6.580 1.00 0.00 C ATOM 1364 CG TYR A 95 12.750 -3.338 -7.647 1.00 0.00 C ATOM 1365 CD1 TYR A 95 12.421 -3.338 -9.007 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.067 -3.062 -7.260 1.00 0.00 C ATOM 1367 CE1 TYR A 95 13.396 -3.065 -9.966 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.036 -2.783 -8.220 1.00 0.00 C ATOM 1369 CZ TYR A 95 14.700 -2.779 -9.570 1.00 0.00 C ATOM 1370 OH TYR A 95 15.659 -2.492 -10.503 1.00 0.00 O ATOM 0 H TYR A 95 10.084 -4.150 -4.861 1.00 0.00 H new ATOM 0 HA TYR A 95 10.568 -5.292 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 95 10.852 -2.919 -6.749 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.102 -3.369 -5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 95 11.408 -3.550 -9.315 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.332 -3.066 -6.213 1.00 0.00 H new ATOM 0 HE1 TYR A 95 13.140 -3.075 -11.015 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.050 -2.569 -7.916 1.00 0.00 H new ATOM 0 HH TYR A 95 16.511 -2.316 -10.053 1.00 0.00 H new ATOM 1380 N LEU A 96 12.970 -6.302 -5.402 1.00 0.00 N ATOM 1381 CA LEU A 96 13.990 -7.391 -5.272 1.00 0.00 C ATOM 1382 C LEU A 96 13.607 -8.714 -4.515 1.00 0.00 C ATOM 1383 O LEU A 96 14.462 -9.582 -4.316 1.00 0.00 O ATOM 1384 CB LEU A 96 15.377 -6.775 -4.933 1.00 0.00 C ATOM 1385 CG LEU A 96 15.551 -5.857 -3.698 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.145 -6.553 -2.393 1.00 0.00 C ATOM 1387 CD2 LEU A 96 17.013 -5.388 -3.633 1.00 0.00 C ATOM 0 H LEU A 96 12.971 -5.640 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 96 14.043 -7.845 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 96 16.077 -7.603 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.697 -6.205 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 96 14.887 -5.000 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.285 -5.868 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.097 -6.848 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 96 15.764 -7.438 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.149 -4.740 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.669 -6.254 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 96 17.259 -4.837 -4.541 1.00 0.00 H new ATOM 1399 N GLU A 97 12.310 -8.971 -4.272 1.00 0.00 N ATOM 1400 CA GLU A 97 11.713 -10.333 -4.441 1.00 0.00 C ATOM 1401 C GLU A 97 11.710 -10.873 -5.919 1.00 0.00 C ATOM 1402 O GLU A 97 11.947 -12.067 -6.119 1.00 0.00 O ATOM 1403 CB GLU A 97 10.270 -10.340 -3.855 1.00 0.00 C ATOM 1404 CG GLU A 97 10.195 -10.355 -2.310 1.00 0.00 C ATOM 1405 CD GLU A 97 8.778 -10.290 -1.748 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.091 -11.278 -1.511 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.364 -9.013 -1.521 1.00 0.00 O ATOM 0 H GLU A 97 11.646 -8.264 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 97 12.359 -11.019 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.740 -9.461 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.742 -11.213 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.677 -11.261 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.766 -9.511 -1.922 1.00 0.00 H new ATOM 1414 N GLY A 98 11.452 -10.025 -6.938 1.00 0.00 N ATOM 1415 CA GLY A 98 11.527 -10.424 -8.372 1.00 0.00 C ATOM 1416 C GLY A 98 12.915 -10.773 -8.962 1.00 0.00 C ATOM 1417 O GLY A 98 13.045 -11.817 -9.604 1.00 0.00 O ATOM 0 H GLY A 98 11.187 -9.050 -6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.879 -11.289 -8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.107 -9.612 -8.966 1.00 0.00 H new ATOM 1421 N GLN A 99 13.938 -9.918 -8.771 1.00 0.00 N ATOM 1422 CA GLN A 99 15.333 -10.235 -9.208 1.00 0.00 C ATOM 1423 C GLN A 99 16.051 -11.236 -8.247 1.00 0.00 C ATOM 1424 O GLN A 99 16.247 -10.941 -7.063 1.00 0.00 O ATOM 1425 CB GLN A 99 16.163 -8.951 -9.482 1.00 0.00 C ATOM 1426 CG GLN A 99 16.377 -7.923 -8.341 1.00 0.00 C ATOM 1427 CD GLN A 99 15.930 -6.491 -8.665 1.00 0.00 C ATOM 1428 OE1 GLN A 99 16.722 -5.562 -8.747 1.00 0.00 O ATOM 1429 NE2 GLN A 99 14.660 -6.245 -8.860 1.00 0.00 N ATOM 0 H GLN A 99 13.838 -9.008 -8.322 1.00 0.00 H new ATOM 0 HA GLN A 99 15.253 -10.755 -10.163 1.00 0.00 H new ATOM 0 HB2 GLN A 99 17.148 -9.266 -9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.688 -8.425 -10.310 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.837 -8.265 -7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.435 -7.907 -8.081 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.979 -7.001 -8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.351 -5.297 -9.075 1.00 0.00 H new ATOM 1438 N GLN A 100 16.407 -12.423 -8.769 1.00 0.00 N ATOM 1439 CA GLN A 100 16.952 -13.550 -7.966 1.00 0.00 C ATOM 1440 C GLN A 100 18.208 -14.138 -8.653 1.00 0.00 C ATOM 1441 O GLN A 100 19.278 -14.173 -8.002 1.00 0.00 O ATOM 1442 CB GLN A 100 15.866 -14.626 -7.704 1.00 0.00 C ATOM 1443 CG GLN A 100 14.695 -14.178 -6.786 1.00 0.00 C ATOM 1444 CD GLN A 100 13.681 -15.273 -6.432 1.00 0.00 C ATOM 1445 OE1 GLN A 100 13.983 -16.454 -6.295 1.00 0.00 O ATOM 1446 NE2 GLN A 100 12.438 -14.913 -6.222 1.00 0.00 N ATOM 1447 OXT GLN A 100 18.144 -14.561 -9.831 1.00 0.00 O ATOM 0 H GLN A 100 16.327 -12.636 -9.763 1.00 0.00 H new ATOM 0 HA GLN A 100 17.257 -13.172 -6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 100 15.454 -14.943 -8.662 1.00 0.00 H new ATOM 0 HB3 GLN A 100 16.343 -15.498 -7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.113 -13.780 -5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.165 -13.360 -7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.165 -13.936 -6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.744 -15.610 -5.950 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 23.800 -1.827 1.615 1.00 0.00 FE HETATM 1458 CHA HEC A 101 24.832 -4.673 3.236 1.00 0.00 C HETATM 1459 CHB HEC A 101 20.761 -3.509 1.516 1.00 0.00 C HETATM 1460 CHC HEC A 101 22.468 0.990 0.575 1.00 0.00 C HETATM 1461 CHD HEC A 101 26.691 -0.500 1.486 1.00 0.00 C HETATM 1462 NA HEC A 101 22.976 -3.504 2.355 1.00 0.00 N HETATM 1463 C1A HEC A 101 23.538 -4.549 2.934 1.00 0.00 C HETATM 1464 C2A HEC A 101 22.750 -5.624 3.204 1.00 0.00 C HETATM 1465 C3A HEC A 101 21.563 -5.264 2.751 1.00 0.00 C HETATM 1466 C4A HEC A 101 21.779 -4.045 2.192 1.00 0.00 C HETATM 1467 CMA HEC A 101 20.273 -6.108 2.843 1.00 0.00 C HETATM 1468 CAA HEC A 101 23.030 -6.984 3.889 1.00 0.00 C HETATM 1469 CBA HEC A 101 23.206 -8.183 2.927 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.365 -9.566 3.587 1.00 0.00 C HETATM 1471 O1A HEC A 101 23.716 -9.655 4.788 1.00 0.00 O HETATM 1472 O2A HEC A 101 23.136 -10.580 2.891 1.00 0.00 O HETATM 1473 NB HEC A 101 22.048 -1.423 1.103 1.00 0.00 N HETATM 1474 C1B HEC A 101 20.852 -2.178 0.925 1.00 0.00 C HETATM 1475 C2B HEC A 101 19.817 -1.509 0.279 1.00 0.00 C HETATM 1476 C3B HEC A 101 20.236 -0.202 0.140 1.00 0.00 C HETATM 1477 C4B HEC A 101 21.548 -0.165 0.656 1.00 0.00 C HETATM 1478 CMB HEC A 101 18.508 -2.110 -0.246 1.00 0.00 C HETATM 1479 CAB HEC A 101 19.461 0.923 -0.594 1.00 0.00 C HETATM 1480 CBB HEC A 101 18.091 1.237 0.034 1.00 0.00 C HETATM 1481 NC HEC A 101 24.397 -0.078 1.346 1.00 0.00 N HETATM 1482 C1C HEC A 101 23.779 0.940 0.842 1.00 0.00 C HETATM 1483 C2C HEC A 101 24.579 1.981 0.511 1.00 0.00 C HETATM 1484 C3C HEC A 101 25.821 1.532 0.706 1.00 0.00 C HETATM 1485 C4C HEC A 101 25.636 0.282 1.202 1.00 0.00 C HETATM 1486 CMC HEC A 101 24.250 3.367 -0.068 1.00 0.00 C HETATM 1487 CAC HEC A 101 27.136 2.258 0.286 1.00 0.00 C HETATM 1488 CBC HEC A 101 27.365 3.645 0.912 1.00 0.00 C HETATM 1489 ND HEC A 101 25.414 -2.552 2.066 1.00 0.00 N HETATM 1490 C1D HEC A 101 26.645 -1.878 2.005 1.00 0.00 C HETATM 1491 C2D HEC A 101 27.712 -2.549 2.624 1.00 0.00 C HETATM 1492 C3D HEC A 101 27.187 -3.711 3.149 1.00 0.00 C HETATM 1493 C4D HEC A 101 25.826 -3.683 2.821 1.00 0.00 C HETATM 1494 CMD HEC A 101 29.168 -2.090 2.729 1.00 0.00 C HETATM 1495 CAD HEC A 101 27.924 -4.791 3.971 1.00 0.00 C HETATM 1496 CBD HEC A 101 27.610 -4.712 5.485 1.00 0.00 C HETATM 1497 CGD HEC A 101 28.352 -5.675 6.416 1.00 0.00 C HETATM 1498 O1D HEC A 101 29.399 -6.236 6.031 1.00 0.00 O HETATM 1499 O2D HEC A 101 27.902 -5.846 7.570 1.00 0.00 O HETATM 0 HMD3 HEC A 101 29.583 -1.965 1.729 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 29.213 -1.140 3.262 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 29.747 -2.838 3.271 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 23.754 3.250 -1.032 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 23.591 3.900 0.617 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 25.171 3.934 -0.200 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 18.731 -2.875 -0.990 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 17.956 -2.558 0.580 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 17.905 -1.325 -0.702 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 20.417 -7.052 2.317 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 20.043 -6.308 3.890 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 19.447 -5.561 2.388 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 27.819 -3.695 5.818 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 26.540 -4.877 5.615 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 26.548 4.310 0.632 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 27.402 3.553 1.997 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 28.307 4.056 0.550 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 17.467 0.344 0.011 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 18.229 1.557 1.067 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 17.606 2.033 -0.531 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.343 -8.218 2.262 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 24.081 -7.998 2.305 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 27.647 -5.777 3.598 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 28.998 -4.684 3.822 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 23.932 -6.889 4.494 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 22.210 -7.204 4.572 1.00 0.00 H new HETATM 0 HHD HEC A 101 27.679 -0.072 1.315 1.00 0.00 H new HETATM 0 HHC HEC A 101 22.049 1.951 0.277 1.00 0.00 H new HETATM 0 HHB HEC A 101 19.839 -4.079 1.403 1.00 0.00 H new HETATM 0 HHA HEC A 101 25.159 -5.540 3.810 1.00 0.00 H new HETATM 0 H2D HEC A 101 27.252 -5.142 7.775 1.00 0.00 H new HETATM 0 H2A HEC A 101 23.972 -10.896 2.488 1.00 0.00 H new