USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 994 hydrogens (97 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 65 ASNHD21 : A 65 ASN ND2 : A 106 NAG C1 :(H bumps) USER MOD Set 1.1: A 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 92 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.1!) USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0.334 USER MOD Set 2.2: A 81 TYR OH : rot -154:sc= -0.355 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 57:sc= 0.709 USER MOD Single : A 15 GLN :FLIP amide:sc= -2.36! C(o=-3.6!,f=-2.4!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -111:sc= -1.37 (180deg=-2.79!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0823) USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= -0.228 (180deg=-1.4!) USER MOD Single : A 38 THR OG1 : rot 140:sc= -2.06 USER MOD Single : A 39 SER OG : rot 180:sc= -0.782 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -6.58! C(o=-10!,f=-6.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0584) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= -0.775! (180deg=-1.92) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.277) USER MOD Single : A 67 THR OG1 : rot -59:sc= 0.21 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 148:sc= -0.752! (180deg=-3.02!) USER MOD Single : A 72 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.38) USER MOD Single : A 82 LYS NZ :NH3+ -137:sc= 0.0272 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 89 LYS NZ :NH3+ 137:sc= -0.402 (180deg=-2.2!) USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= -0.0238 (180deg=-0.131) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.249 (180deg=-0.954) USER MOD Single : A 103 GLN : amide:sc= -0.0326 X(o=-0.033,f=-0.033) USER MOD Single : A 106 NAG O3 : rot 180:sc= 0 USER MOD Single : A 106 NAG O6 : rot -19:sc= 0.434 USER MOD Single : A 107 NAG O3 : rot -170:sc= 0 USER MOD Single : A 107 NAG O6 : rot 180:sc= 0 USER MOD Single : A 108 BMA O2 : rot -24:sc= 0.0107 USER MOD Single : A 108 BMA O4 : rot 30:sc= 0.00148 USER MOD Single : A 109 MAN O3 : rot 28:sc= 0.0322 USER MOD Single : A 109 MAN O4 : rot -173:sc= 0.608 USER MOD Single : A 109 MAN O6 : rot 180:sc= 0.542 USER MOD Single : A 110 MAN O2 : rot 145:sc= 0.0425 USER MOD Single : A 110 MAN O3 : rot 153:sc= 0.0418 USER MOD Single : A 110 MAN O4 : rot 180:sc= 0 USER MOD Single : A 110 MAN O6 : rot -14:sc= 0.416 USER MOD Single : A 111 MAN O2 : rot 152:sc= 0.0558 USER MOD Single : A 111 MAN O4 : rot 150:sc= 0 USER MOD Single : A 112 MAN O2 : rot 144:sc= -1.8! USER MOD Single : A 112 MAN O3 : rot 180:sc= 0.0249 USER MOD Single : A 112 MAN O4 : rot 178:sc= 0 USER MOD Single : A 112 MAN O6 : rot 180:sc= -0.0381 USER MOD Single : A 113 MAN O3 : rot 25:sc= 0.0361 USER MOD Single : A 113 MAN O4 : rot -163:sc= 0.929 USER MOD Single : A 113 MAN O6 : rot 180:sc= 0.784 USER MOD Single : A 114 MAN O2 : rot 151:sc= 0.0331 USER MOD Single : A 114 MAN O3 : rot 180:sc= 0.0263 USER MOD Single : A 114 MAN O4 : rot 180:sc= 0 USER MOD Single : A 114 MAN O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 18.368 -2.421 -16.579 1.00 0.00 N ATOM 2 CA LYS A 1 18.006 -1.052 -16.225 1.00 0.00 C ATOM 3 C LYS A 1 16.506 -0.879 -16.195 1.00 0.00 C ATOM 4 O LYS A 1 15.769 -1.398 -17.046 1.00 0.00 O ATOM 5 CB LYS A 1 18.658 -0.067 -17.234 1.00 0.00 C ATOM 6 CG LYS A 1 17.698 0.384 -18.363 1.00 0.00 C ATOM 7 CD LYS A 1 17.423 1.890 -18.411 1.00 0.00 C ATOM 8 CE LYS A 1 18.072 2.482 -19.669 1.00 0.00 C ATOM 9 NZ LYS A 1 17.379 3.730 -20.036 1.00 0.00 N ATOM 0 H1 LYS A 1 19.404 -2.514 -16.593 1.00 0.00 H new ATOM 0 H2 LYS A 1 17.971 -3.078 -15.877 1.00 0.00 H new ATOM 0 H3 LYS A 1 17.988 -2.648 -17.520 1.00 0.00 H new ATOM 0 HA LYS A 1 18.379 -0.835 -15.224 1.00 0.00 H new ATOM 0 HB2 LYS A 1 19.011 0.812 -16.695 1.00 0.00 H new ATOM 0 HB3 LYS A 1 19.533 -0.541 -17.679 1.00 0.00 H new ATOM 0 HG2 LYS A 1 18.116 0.075 -19.321 1.00 0.00 H new ATOM 0 HG3 LYS A 1 16.750 -0.140 -18.245 1.00 0.00 H new ATOM 0 HD2 LYS A 1 16.349 2.075 -18.420 1.00 0.00 H new ATOM 0 HD3 LYS A 1 17.823 2.373 -17.519 1.00 0.00 H new ATOM 0 HE2 LYS A 1 19.129 2.679 -19.488 1.00 0.00 H new ATOM 0 HE3 LYS A 1 18.017 1.768 -20.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 17.818 4.133 -20.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 16.376 3.528 -20.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 17.453 4.411 -19.254 1.00 0.00 H new ATOM 25 N GLU A 2 16.024 -0.151 -15.205 1.00 0.00 N ATOM 26 CA GLU A 2 14.590 0.078 -15.043 1.00 0.00 C ATOM 27 C GLU A 2 14.319 1.098 -13.963 1.00 0.00 C ATOM 28 O GLU A 2 13.997 0.766 -12.813 1.00 0.00 O ATOM 29 CB GLU A 2 13.910 -1.282 -14.716 1.00 0.00 C ATOM 30 CG GLU A 2 13.278 -2.071 -15.910 1.00 0.00 C ATOM 31 CD GLU A 2 11.917 -2.741 -15.699 1.00 0.00 C ATOM 32 OE1 GLU A 2 11.024 -2.239 -15.031 1.00 0.00 O ATOM 33 OE2 GLU A 2 11.796 -3.944 -16.325 1.00 0.00 O ATOM 0 H GLU A 2 16.603 0.296 -14.495 1.00 0.00 H new ATOM 0 HA GLU A 2 14.176 0.482 -15.967 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.651 -1.925 -14.241 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.127 -1.100 -13.980 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.183 -1.383 -16.750 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.986 -2.844 -16.210 1.00 0.00 H new ATOM 40 N ILE A 3 14.448 2.364 -14.314 1.00 0.00 N ATOM 41 CA ILE A 3 14.088 3.456 -13.413 1.00 0.00 C ATOM 42 C ILE A 3 12.593 3.667 -13.396 1.00 0.00 C ATOM 43 O ILE A 3 11.915 3.626 -14.434 1.00 0.00 O ATOM 44 CB ILE A 3 14.868 4.786 -13.772 1.00 0.00 C ATOM 45 CG1 ILE A 3 16.417 4.620 -13.889 1.00 0.00 C ATOM 46 CG2 ILE A 3 14.579 5.946 -12.770 1.00 0.00 C ATOM 47 CD1 ILE A 3 17.204 4.685 -12.564 1.00 0.00 C ATOM 0 H ILE A 3 14.801 2.668 -15.221 1.00 0.00 H new ATOM 0 HA ILE A 3 14.392 3.175 -12.405 1.00 0.00 H new ATOM 0 HB ILE A 3 14.479 5.038 -14.758 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.625 3.662 -14.366 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.797 5.396 -14.553 1.00 0.00 H new ATOM 0 HG21 ILE A 3 15.141 6.832 -13.067 1.00 0.00 H new ATOM 0 HG22 ILE A 3 13.513 6.174 -12.775 1.00 0.00 H new ATOM 0 HG23 ILE A 3 14.881 5.644 -11.767 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.268 4.558 -12.766 1.00 0.00 H new ATOM 0 HD12 ILE A 3 17.038 5.652 -12.089 1.00 0.00 H new ATOM 0 HD13 ILE A 3 16.864 3.891 -11.899 1.00 0.00 H new ATOM 59 N THR A 4 12.052 3.920 -12.219 1.00 0.00 N ATOM 60 CA THR A 4 10.607 4.004 -12.035 1.00 0.00 C ATOM 61 C THR A 4 10.252 4.707 -10.742 1.00 0.00 C ATOM 62 O THR A 4 11.101 5.106 -9.935 1.00 0.00 O ATOM 63 CB THR A 4 9.969 2.572 -12.068 1.00 0.00 C ATOM 64 OG1 THR A 4 10.615 1.719 -11.133 1.00 0.00 O ATOM 65 CG2 THR A 4 10.055 1.812 -13.409 1.00 0.00 C ATOM 0 H THR A 4 12.592 4.073 -11.367 1.00 0.00 H new ATOM 0 HA THR A 4 10.201 4.593 -12.857 1.00 0.00 H new ATOM 0 HB THR A 4 8.921 2.777 -11.851 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.205 0.830 -11.164 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.580 0.836 -13.305 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.545 2.383 -14.184 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.101 1.679 -13.685 1.00 0.00 H new ATOM 73 N ASN A 5 8.954 4.847 -10.525 1.00 0.00 N ATOM 74 CA ASN A 5 8.412 5.362 -9.270 1.00 0.00 C ATOM 75 C ASN A 5 7.464 4.339 -8.668 1.00 0.00 C ATOM 76 O ASN A 5 6.403 4.637 -8.106 1.00 0.00 O ATOM 77 CB ASN A 5 7.705 6.726 -9.506 1.00 0.00 C ATOM 78 CG ASN A 5 8.297 7.954 -8.807 1.00 0.00 C ATOM 79 OD1 ASN A 5 7.634 8.670 -8.072 1.00 0.00 O ATOM 80 ND2 ASN A 5 9.548 8.257 -9.023 1.00 0.00 N ATOM 0 H ASN A 5 8.241 4.607 -11.214 1.00 0.00 H new ATOM 0 HA ASN A 5 9.225 5.532 -8.564 1.00 0.00 H new ATOM 0 HB2 ASN A 5 7.696 6.920 -10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.666 6.627 -9.191 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.957 9.080 -8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.117 7.671 -9.634 1.00 0.00 H new ATOM 87 N ALA A 6 7.858 3.081 -8.816 1.00 0.00 N ATOM 88 CA ALA A 6 7.032 1.943 -8.434 1.00 0.00 C ATOM 89 C ALA A 6 7.460 1.374 -7.099 1.00 0.00 C ATOM 90 O ALA A 6 8.449 1.789 -6.480 1.00 0.00 O ATOM 91 CB ALA A 6 7.114 0.908 -9.571 1.00 0.00 C ATOM 0 H ALA A 6 8.764 2.820 -9.206 1.00 0.00 H new ATOM 0 HA ALA A 6 5.995 2.250 -8.298 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.505 0.040 -9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.745 1.353 -10.495 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.150 0.598 -9.706 1.00 0.00 H new ATOM 97 N LEU A 7 6.686 0.412 -6.626 1.00 0.00 N ATOM 98 CA LEU A 7 6.879 -0.180 -5.305 1.00 0.00 C ATOM 99 C LEU A 7 6.790 -1.686 -5.376 1.00 0.00 C ATOM 100 O LEU A 7 5.725 -2.266 -5.629 1.00 0.00 O ATOM 101 CB LEU A 7 5.845 0.406 -4.299 1.00 0.00 C ATOM 102 CG LEU A 7 5.244 -0.488 -3.183 1.00 0.00 C ATOM 103 CD1 LEU A 7 6.301 -0.775 -2.107 1.00 0.00 C ATOM 104 CD2 LEU A 7 4.001 0.142 -2.526 1.00 0.00 C ATOM 0 H LEU A 7 5.903 0.016 -7.146 1.00 0.00 H new ATOM 0 HA LEU A 7 7.878 0.072 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.318 1.258 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.012 0.796 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 7 4.931 -1.418 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.867 -1.403 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.149 -1.290 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.638 0.164 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.621 -0.525 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.271 1.099 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.230 0.299 -3.281 1.00 0.00 H new ATOM 116 N GLU A 8 7.917 -2.347 -5.184 1.00 0.00 N ATOM 117 CA GLU A 8 7.963 -3.807 -5.182 1.00 0.00 C ATOM 118 C GLU A 8 7.101 -4.371 -4.079 1.00 0.00 C ATOM 119 O GLU A 8 7.538 -4.540 -2.929 1.00 0.00 O ATOM 120 CB GLU A 8 9.443 -4.256 -5.027 1.00 0.00 C ATOM 121 CG GLU A 8 10.474 -3.717 -6.073 1.00 0.00 C ATOM 122 CD GLU A 8 11.616 -2.826 -5.576 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.194 -1.693 -4.950 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.797 -3.109 -5.730 1.00 0.00 O ATOM 0 H GLU A 8 8.819 -1.898 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 8 7.567 -4.189 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.783 -3.958 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.469 -5.345 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.918 -4.577 -6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.920 -3.158 -6.827 1.00 0.00 H new ATOM 131 N THR A 9 5.853 -4.657 -4.399 1.00 0.00 N ATOM 132 CA THR A 9 4.897 -5.153 -3.408 1.00 0.00 C ATOM 133 C THR A 9 4.671 -6.637 -3.593 1.00 0.00 C ATOM 134 O THR A 9 4.228 -7.101 -4.653 1.00 0.00 O ATOM 135 CB THR A 9 3.562 -4.338 -3.489 1.00 0.00 C ATOM 136 OG1 THR A 9 3.559 -3.499 -4.637 1.00 0.00 O ATOM 137 CG2 THR A 9 3.276 -3.380 -2.311 1.00 0.00 C ATOM 0 H THR A 9 5.470 -4.556 -5.339 1.00 0.00 H new ATOM 0 HA THR A 9 5.307 -5.010 -2.408 1.00 0.00 H new ATOM 0 HB THR A 9 2.805 -5.123 -3.497 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.699 -4.043 -5.440 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.326 -2.872 -2.478 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.225 -3.950 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.075 -2.642 -2.240 1.00 0.00 H new ATOM 145 N TRP A 10 4.997 -7.407 -2.573 1.00 0.00 N ATOM 146 CA TRP A 10 4.995 -8.867 -2.650 1.00 0.00 C ATOM 147 C TRP A 10 3.891 -9.482 -1.824 1.00 0.00 C ATOM 148 O TRP A 10 3.356 -8.878 -0.883 1.00 0.00 O ATOM 149 CB TRP A 10 6.372 -9.391 -2.141 1.00 0.00 C ATOM 150 CG TRP A 10 7.494 -9.324 -3.183 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.554 -8.395 -3.195 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.626 -10.065 -4.338 1.00 0.00 C ATOM 153 NE1 TRP A 10 9.351 -8.533 -4.349 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.754 -9.575 -5.042 1.00 0.00 C ATOM 155 CE3 TRP A 10 6.860 -11.139 -4.859 1.00 0.00 C ATOM 156 CZ2 TRP A 10 9.109 -10.142 -6.286 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.177 -11.620 -6.130 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.288 -11.132 -6.833 1.00 0.00 C ATOM 0 H TRP A 10 5.273 -7.043 -1.661 1.00 0.00 H new ATOM 0 HA TRP A 10 4.823 -9.153 -3.688 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.668 -8.811 -1.267 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.256 -10.424 -1.814 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.733 -7.668 -2.417 1.00 0.00 H new ATOM 0 HE1 TRP A 10 10.175 -7.992 -4.613 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.053 -11.573 -4.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.998 -9.817 -6.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.556 -12.381 -6.580 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.513 -11.527 -7.813 1.00 0.00 H new ATOM 169 N GLY A 11 3.537 -10.711 -2.161 1.00 0.00 N ATOM 170 CA GLY A 11 2.587 -11.489 -1.372 1.00 0.00 C ATOM 171 C GLY A 11 2.713 -12.964 -1.669 1.00 0.00 C ATOM 172 O GLY A 11 3.027 -13.377 -2.799 1.00 0.00 O ATOM 0 H GLY A 11 3.895 -11.198 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.761 -11.313 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.572 -11.157 -1.588 1.00 0.00 H new ATOM 176 N ALA A 12 2.495 -13.792 -0.665 1.00 0.00 N ATOM 177 CA ALA A 12 2.441 -15.241 -0.850 1.00 0.00 C ATOM 178 C ALA A 12 1.020 -15.694 -1.085 1.00 0.00 C ATOM 179 O ALA A 12 0.057 -15.018 -0.663 1.00 0.00 O ATOM 180 CB ALA A 12 3.083 -15.896 0.386 1.00 0.00 C ATOM 0 H ALA A 12 2.350 -13.488 0.298 1.00 0.00 H new ATOM 0 HA ALA A 12 2.999 -15.545 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.058 -16.980 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.117 -15.564 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.529 -15.608 1.279 1.00 0.00 H new ATOM 186 N LEU A 13 0.832 -16.831 -1.728 1.00 0.00 N ATOM 187 CA LEU A 13 -0.510 -17.263 -2.128 1.00 0.00 C ATOM 188 C LEU A 13 -1.383 -17.539 -0.922 1.00 0.00 C ATOM 189 O LEU A 13 -0.979 -18.163 0.068 1.00 0.00 O ATOM 190 CB LEU A 13 -0.467 -18.511 -3.054 1.00 0.00 C ATOM 191 CG LEU A 13 -0.465 -18.302 -4.592 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.974 -18.146 -5.101 1.00 0.00 C ATOM 193 CD2 LEU A 13 -1.155 -19.452 -5.347 1.00 0.00 C ATOM 0 H LEU A 13 1.580 -17.474 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.947 -16.440 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.426 -19.082 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.326 -19.135 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.034 -17.393 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.964 -18.000 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.438 -17.283 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.544 -19.044 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.125 -19.254 -6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.637 -20.388 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.192 -19.530 -5.022 1.00 0.00 H new ATOM 205 N GLY A 14 -2.611 -17.047 -0.998 1.00 0.00 N ATOM 206 CA GLY A 14 -3.608 -17.270 0.041 1.00 0.00 C ATOM 207 C GLY A 14 -3.366 -16.375 1.232 1.00 0.00 C ATOM 208 O GLY A 14 -3.591 -16.808 2.394 1.00 0.00 O ATOM 0 H GLY A 14 -2.945 -16.483 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.604 -17.083 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.582 -18.313 0.356 1.00 0.00 H new ATOM 212 N GLN A 15 -2.946 -15.139 1.042 1.00 0.00 N ATOM 213 CA GLN A 15 -2.528 -14.296 2.170 1.00 0.00 C ATOM 214 C GLN A 15 -3.133 -12.916 2.096 1.00 0.00 C ATOM 215 O GLN A 15 -3.069 -12.227 1.068 1.00 0.00 O ATOM 216 CB GLN A 15 -0.986 -14.221 2.179 1.00 0.00 C ATOM 217 CG GLN A 15 -0.277 -14.735 3.476 1.00 0.00 C ATOM 218 CD GLN A 15 0.947 -15.649 3.346 1.00 0.00 C ATOM 219 OE1 GLN A 15 2.144 -15.129 3.251 1.00 0.00 O flip ATOM 220 NE2 GLN A 15 0.828 -16.863 3.312 1.00 0.00 N flip ATOM 0 H GLN A 15 -2.882 -14.690 0.129 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.886 -14.742 3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.610 -14.796 1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.692 -13.184 2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.026 -13.861 4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.022 -15.266 4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.097 -17.287 3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.653 -17.454 3.211 1.00 0.00 H new ATOM 229 N ASP A 16 -3.710 -12.462 3.195 1.00 0.00 N ATOM 230 CA ASP A 16 -4.209 -11.089 3.284 1.00 0.00 C ATOM 231 C ASP A 16 -3.074 -10.135 3.579 1.00 0.00 C ATOM 232 O ASP A 16 -2.157 -10.430 4.360 1.00 0.00 O ATOM 233 CB ASP A 16 -5.372 -11.018 4.308 1.00 0.00 C ATOM 234 CG ASP A 16 -5.658 -9.657 4.957 1.00 0.00 C ATOM 235 OD1 ASP A 16 -4.883 -9.104 5.723 1.00 0.00 O ATOM 236 OD2 ASP A 16 -6.880 -9.153 4.603 1.00 0.00 O ATOM 0 H ASP A 16 -3.847 -13.018 4.039 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.622 -10.774 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.282 -11.351 3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.165 -11.734 5.103 1.00 0.00 H new ATOM 241 N ILE A 17 -3.106 -8.980 2.939 1.00 0.00 N ATOM 242 CA ILE A 17 -1.981 -8.052 2.965 1.00 0.00 C ATOM 243 C ILE A 17 -2.415 -6.602 3.025 1.00 0.00 C ATOM 244 O ILE A 17 -3.599 -6.246 3.077 1.00 0.00 O ATOM 245 CB ILE A 17 -1.018 -8.306 1.730 1.00 0.00 C ATOM 246 CG1 ILE A 17 -1.446 -7.575 0.418 1.00 0.00 C ATOM 247 CG2 ILE A 17 -0.835 -9.821 1.406 1.00 0.00 C ATOM 248 CD1 ILE A 17 -0.505 -7.749 -0.792 1.00 0.00 C ATOM 0 H ILE A 17 -3.903 -8.657 2.390 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.432 -8.248 3.886 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.071 -7.881 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.438 -7.929 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.537 -6.510 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.166 -9.932 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.408 -10.329 2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.803 -10.262 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.903 -7.198 -1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.484 -7.366 -0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.431 -8.806 -1.046 1.00 0.00 H new ATOM 260 N ASN A 18 -1.414 -5.730 3.042 1.00 0.00 N ATOM 261 CA ASN A 18 -1.625 -4.286 3.029 1.00 0.00 C ATOM 262 C ASN A 18 -0.916 -3.613 1.873 1.00 0.00 C ATOM 263 O ASN A 18 0.129 -4.053 1.373 1.00 0.00 O ATOM 264 CB ASN A 18 -1.133 -3.687 4.382 1.00 0.00 C ATOM 265 CG ASN A 18 -0.223 -4.572 5.240 1.00 0.00 C ATOM 266 OD1 ASN A 18 0.880 -4.936 4.860 1.00 0.00 O ATOM 267 ND2 ASN A 18 -0.645 -4.957 6.414 1.00 0.00 N ATOM 0 H ASN A 18 -0.432 -6.004 3.065 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.691 -4.101 2.899 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.602 -2.759 4.169 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.009 -3.424 4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.057 -5.552 6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.563 -4.663 6.748 1.00 0.00 H new ATOM 274 N LEU A 19 -1.487 -2.508 1.425 1.00 0.00 N ATOM 275 CA LEU A 19 -0.876 -1.624 0.432 1.00 0.00 C ATOM 276 C LEU A 19 -0.326 -0.396 1.122 1.00 0.00 C ATOM 277 O LEU A 19 -1.073 0.383 1.745 1.00 0.00 O ATOM 278 CB LEU A 19 -1.892 -1.265 -0.693 1.00 0.00 C ATOM 279 CG LEU A 19 -1.979 -2.235 -1.907 1.00 0.00 C ATOM 280 CD1 LEU A 19 -3.030 -1.745 -2.911 1.00 0.00 C ATOM 281 CD2 LEU A 19 -0.626 -2.417 -2.614 1.00 0.00 C ATOM 0 H LEU A 19 -2.403 -2.190 1.742 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.047 -2.139 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.883 -1.196 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.643 -0.273 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.275 -3.207 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.078 -2.435 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.004 -1.699 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.756 -0.753 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.743 -3.103 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.274 -1.453 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.100 -2.825 -1.911 1.00 0.00 H new ATOM 293 N ASP A 20 0.969 -0.173 1.018 1.00 0.00 N ATOM 294 CA ASP A 20 1.642 0.859 1.801 1.00 0.00 C ATOM 295 C ASP A 20 1.943 2.074 0.953 1.00 0.00 C ATOM 296 O ASP A 20 2.697 2.052 -0.029 1.00 0.00 O ATOM 297 CB ASP A 20 2.922 0.293 2.468 1.00 0.00 C ATOM 298 CG ASP A 20 2.800 -1.075 3.155 1.00 0.00 C ATOM 299 OD1 ASP A 20 2.087 -1.021 4.320 1.00 0.00 O ATOM 300 OD2 ASP A 20 3.309 -2.093 2.710 1.00 0.00 O ATOM 0 H ASP A 20 1.586 -0.695 0.395 1.00 0.00 H new ATOM 0 HA ASP A 20 0.970 1.179 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.699 0.222 1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.267 1.015 3.208 1.00 0.00 H new ATOM 305 N ILE A 21 1.339 3.191 1.340 1.00 0.00 N ATOM 306 CA ILE A 21 1.452 4.457 0.626 1.00 0.00 C ATOM 307 C ILE A 21 2.741 5.161 0.991 1.00 0.00 C ATOM 308 O ILE A 21 3.412 4.828 1.979 1.00 0.00 O ATOM 309 CB ILE A 21 0.163 5.356 0.861 1.00 0.00 C ATOM 310 CG1 ILE A 21 0.418 6.771 1.478 1.00 0.00 C ATOM 311 CG2 ILE A 21 -0.915 4.653 1.748 1.00 0.00 C ATOM 312 CD1 ILE A 21 0.441 6.834 3.021 1.00 0.00 C ATOM 0 H ILE A 21 0.749 3.244 2.170 1.00 0.00 H new ATOM 0 HA ILE A 21 1.497 4.259 -0.445 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.194 5.495 -0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.371 7.144 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.355 7.450 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.771 5.315 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.237 3.730 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.489 4.422 2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.625 7.860 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.519 6.498 3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.233 6.188 3.400 1.00 0.00 H new ATOM 324 N PRO A 22 3.115 6.142 0.193 1.00 0.00 N ATOM 325 CA PRO A 22 4.364 7.010 0.310 1.00 0.00 C ATOM 326 C PRO A 22 4.615 7.590 1.688 1.00 0.00 C ATOM 327 O PRO A 22 3.889 7.365 2.665 1.00 0.00 O ATOM 328 CB PRO A 22 4.198 8.168 -0.668 1.00 0.00 C ATOM 329 CG PRO A 22 2.711 8.129 -1.048 1.00 0.00 C ATOM 330 CD PRO A 22 2.371 6.632 -1.001 1.00 0.00 C ATOM 0 HA PRO A 22 5.218 6.368 0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.467 9.119 -0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.836 8.045 -1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.102 8.702 -0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.538 8.549 -2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.298 6.467 -0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.688 6.120 -1.909 1.00 0.00 H new ATOM 338 N SER A 23 5.672 8.391 1.764 1.00 0.00 N ATOM 339 CA SER A 23 6.108 8.987 3.023 1.00 0.00 C ATOM 340 C SER A 23 5.437 10.316 3.287 1.00 0.00 C ATOM 341 O SER A 23 6.009 11.211 3.935 1.00 0.00 O ATOM 342 CB SER A 23 7.653 9.119 3.055 1.00 0.00 C ATOM 343 OG SER A 23 8.317 8.004 2.451 1.00 0.00 O ATOM 0 H SER A 23 6.248 8.645 0.961 1.00 0.00 H new ATOM 0 HA SER A 23 5.802 8.317 3.827 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.946 10.034 2.539 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.984 9.216 4.089 1.00 0.00 H new ATOM 0 HG SER A 23 9.287 8.137 2.496 1.00 0.00 H new ATOM 349 N PHE A 24 4.215 10.478 2.818 1.00 0.00 N ATOM 350 CA PHE A 24 3.389 11.643 3.132 1.00 0.00 C ATOM 351 C PHE A 24 2.357 11.296 4.180 1.00 0.00 C ATOM 352 O PHE A 24 1.890 10.146 4.272 1.00 0.00 O ATOM 353 CB PHE A 24 2.658 12.142 1.849 1.00 0.00 C ATOM 354 CG PHE A 24 2.058 13.555 1.890 1.00 0.00 C ATOM 355 CD1 PHE A 24 2.832 14.675 1.576 1.00 0.00 C ATOM 356 CD2 PHE A 24 0.705 13.722 2.211 1.00 0.00 C ATOM 357 CE1 PHE A 24 2.264 15.946 1.595 1.00 0.00 C ATOM 358 CE2 PHE A 24 0.141 14.992 2.240 1.00 0.00 C ATOM 359 CZ PHE A 24 0.921 16.105 1.934 1.00 0.00 C ATOM 0 H PHE A 24 3.758 9.804 2.204 1.00 0.00 H new ATOM 0 HA PHE A 24 4.041 12.428 3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.363 12.098 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.855 11.440 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.874 14.554 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.096 12.859 2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.864 16.809 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.900 15.116 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.485 17.093 1.959 1.00 0.00 H new ATOM 369 N GLN A 25 1.971 12.264 4.988 1.00 0.00 N ATOM 370 CA GLN A 25 1.009 12.037 6.066 1.00 0.00 C ATOM 371 C GLN A 25 -0.064 13.101 6.071 1.00 0.00 C ATOM 372 O GLN A 25 0.212 14.308 6.134 1.00 0.00 O ATOM 373 CB GLN A 25 1.759 12.006 7.416 1.00 0.00 C ATOM 374 CG GLN A 25 3.103 12.806 7.485 1.00 0.00 C ATOM 375 CD GLN A 25 3.638 13.252 8.852 1.00 0.00 C ATOM 376 OE1 GLN A 25 4.171 14.341 8.996 1.00 0.00 O ATOM 377 NE2 GLN A 25 3.516 12.466 9.891 1.00 0.00 N ATOM 0 H GLN A 25 2.308 13.225 4.923 1.00 0.00 H new ATOM 0 HA GLN A 25 0.514 11.079 5.906 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.092 12.392 8.186 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.967 10.966 7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.873 12.195 7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.985 13.699 6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.073 11.553 9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.863 12.767 10.802 1.00 0.00 H new ATOM 386 N MET A 26 -1.309 12.669 5.993 1.00 0.00 N ATOM 387 CA MET A 26 -2.452 13.575 6.067 1.00 0.00 C ATOM 388 C MET A 26 -2.751 13.955 7.498 1.00 0.00 C ATOM 389 O MET A 26 -2.247 13.349 8.455 1.00 0.00 O ATOM 390 CB MET A 26 -3.695 12.920 5.402 1.00 0.00 C ATOM 391 CG MET A 26 -4.327 11.737 6.167 1.00 0.00 C ATOM 392 SD MET A 26 -5.460 10.848 5.086 1.00 0.00 S ATOM 393 CE MET A 26 -6.974 11.720 5.510 1.00 0.00 C ATOM 0 H MET A 26 -1.561 11.687 5.877 1.00 0.00 H new ATOM 0 HA MET A 26 -2.204 14.488 5.525 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.457 13.688 5.266 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.411 12.574 4.408 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.547 11.064 6.524 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.859 12.102 7.045 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.637 11.051 6.059 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.735 12.584 6.131 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.469 12.054 4.598 1.00 0.00 H new ATOM 403 N SER A 27 -3.599 14.954 7.665 1.00 0.00 N ATOM 404 CA SER A 27 -4.078 15.345 8.987 1.00 0.00 C ATOM 405 C SER A 27 -5.178 16.384 8.886 1.00 0.00 C ATOM 406 O SER A 27 -6.377 16.080 8.830 1.00 0.00 O ATOM 407 CB SER A 27 -2.897 15.821 9.878 1.00 0.00 C ATOM 408 OG SER A 27 -3.329 16.354 11.134 1.00 0.00 O ATOM 0 H SER A 27 -3.974 15.514 6.900 1.00 0.00 H new ATOM 0 HA SER A 27 -4.516 14.471 9.469 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.222 14.984 10.057 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.327 16.581 9.343 1.00 0.00 H new ATOM 0 HG SER A 27 -2.549 16.636 11.655 1.00 0.00 H new ATOM 414 N ASP A 28 -4.764 17.638 8.885 1.00 0.00 N ATOM 415 CA ASP A 28 -5.684 18.768 8.956 1.00 0.00 C ATOM 416 C ASP A 28 -6.168 19.212 7.596 1.00 0.00 C ATOM 417 O ASP A 28 -7.298 19.753 7.482 1.00 0.00 O ATOM 418 CB ASP A 28 -5.015 19.939 9.730 1.00 0.00 C ATOM 419 CG ASP A 28 -3.552 20.248 9.384 1.00 0.00 C ATOM 420 OD1 ASP A 28 -3.096 20.140 8.254 1.00 0.00 O ATOM 421 OD2 ASP A 28 -2.823 20.651 10.468 1.00 0.00 O ATOM 0 H ASP A 28 -3.781 17.906 8.835 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.572 18.441 9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.603 20.840 9.558 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.073 19.719 10.796 1.00 0.00 H new ATOM 426 N ASP A 29 -5.412 19.009 6.535 1.00 0.00 N ATOM 427 CA ASP A 29 -5.742 19.582 5.223 1.00 0.00 C ATOM 428 C ASP A 29 -6.215 18.561 4.211 1.00 0.00 C ATOM 429 O ASP A 29 -7.021 18.856 3.316 1.00 0.00 O ATOM 430 CB ASP A 29 -4.523 20.383 4.691 1.00 0.00 C ATOM 431 CG ASP A 29 -4.301 21.776 5.298 1.00 0.00 C ATOM 432 OD1 ASP A 29 -5.442 22.529 5.326 1.00 0.00 O ATOM 433 OD2 ASP A 29 -3.221 22.153 5.729 1.00 0.00 O ATOM 0 H ASP A 29 -4.559 18.450 6.545 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.591 20.250 5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.625 19.790 4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.632 20.494 3.612 1.00 0.00 H new ATOM 438 N ILE A 30 -5.739 17.338 4.348 1.00 0.00 N ATOM 439 CA ILE A 30 -6.051 16.283 3.385 1.00 0.00 C ATOM 440 C ILE A 30 -7.355 15.608 3.739 1.00 0.00 C ATOM 441 O ILE A 30 -7.674 15.412 4.928 1.00 0.00 O ATOM 442 CB ILE A 30 -4.856 15.255 3.247 1.00 0.00 C ATOM 443 CG1 ILE A 30 -3.821 15.606 2.130 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.342 13.791 3.012 1.00 0.00 C ATOM 445 CD1 ILE A 30 -3.064 14.413 1.513 1.00 0.00 C ATOM 0 H ILE A 30 -5.134 17.044 5.115 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.179 16.740 2.404 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.355 15.334 4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.343 16.133 1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.090 16.300 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.479 13.131 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.959 13.473 3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.928 13.745 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.374 14.775 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.505 13.895 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.777 13.725 1.059 1.00 0.00 H new ATOM 457 N ASP A 31 -8.128 15.218 2.742 1.00 0.00 N ATOM 458 CA ASP A 31 -9.480 14.710 2.977 1.00 0.00 C ATOM 459 C ASP A 31 -9.790 13.459 2.189 1.00 0.00 C ATOM 460 O ASP A 31 -10.475 12.542 2.712 1.00 0.00 O ATOM 461 CB ASP A 31 -10.516 15.831 2.681 1.00 0.00 C ATOM 462 CG ASP A 31 -11.569 16.098 3.766 1.00 0.00 C ATOM 463 OD1 ASP A 31 -11.420 15.771 4.934 1.00 0.00 O ATOM 464 OD2 ASP A 31 -12.671 16.749 3.286 1.00 0.00 O ATOM 0 H ASP A 31 -7.849 15.241 1.761 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.543 14.421 4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.972 16.758 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.036 15.579 1.757 1.00 0.00 H new ATOM 469 N ASP A 32 -9.319 13.329 0.964 1.00 0.00 N ATOM 470 CA ASP A 32 -9.735 12.231 0.089 1.00 0.00 C ATOM 471 C ASP A 32 -8.591 11.287 -0.205 1.00 0.00 C ATOM 472 O ASP A 32 -7.401 11.618 -0.130 1.00 0.00 O ATOM 473 CB ASP A 32 -10.363 12.802 -1.210 1.00 0.00 C ATOM 474 CG ASP A 32 -11.691 13.558 -1.054 1.00 0.00 C ATOM 475 OD1 ASP A 32 -12.339 13.253 0.111 1.00 0.00 O ATOM 476 OD2 ASP A 32 -12.105 14.359 -1.880 1.00 0.00 O ATOM 0 H ASP A 32 -8.645 13.969 0.544 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.493 11.643 0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.640 13.474 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.520 11.977 -1.905 1.00 0.00 H new ATOM 481 N ILE A 33 -8.955 10.067 -0.566 1.00 0.00 N ATOM 482 CA ILE A 33 -8.009 8.977 -0.770 1.00 0.00 C ATOM 483 C ILE A 33 -8.505 8.055 -1.864 1.00 0.00 C ATOM 484 O ILE A 33 -9.656 7.557 -1.759 1.00 0.00 O ATOM 485 CB ILE A 33 -7.743 8.183 0.574 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.944 9.009 1.887 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.324 7.538 0.623 1.00 0.00 C ATOM 488 CD1 ILE A 33 -6.903 10.111 2.175 1.00 0.00 C ATOM 0 H ILE A 33 -9.926 9.801 -0.728 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.056 9.404 -1.084 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.512 7.411 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.930 9.473 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.948 8.316 2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.198 7.007 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.214 6.838 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.567 8.318 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.152 10.611 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.912 9.664 2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.909 10.838 1.363 1.00 0.00 H new ATOM 500 N LYS A 34 -7.749 7.807 -2.915 1.00 0.00 N ATOM 501 CA LYS A 34 -8.194 6.899 -3.979 1.00 0.00 C ATOM 502 C LYS A 34 -7.137 5.868 -4.320 1.00 0.00 C ATOM 503 O LYS A 34 -5.926 6.117 -4.391 1.00 0.00 O ATOM 504 CB LYS A 34 -8.603 7.711 -5.238 1.00 0.00 C ATOM 505 CG LYS A 34 -10.015 8.347 -5.122 1.00 0.00 C ATOM 506 CD LYS A 34 -10.056 9.682 -4.373 1.00 0.00 C ATOM 507 CE LYS A 34 -11.438 10.323 -4.559 1.00 0.00 C ATOM 508 NZ LYS A 34 -11.499 10.982 -5.876 1.00 0.00 N ATOM 0 H LYS A 34 -6.826 8.214 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.064 6.355 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.869 8.499 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.577 7.057 -6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.415 8.496 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.676 7.642 -4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.855 9.524 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.279 10.348 -4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.216 9.564 -4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.624 11.049 -3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.006 11.886 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.534 11.158 -6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.000 10.367 -6.549 1.00 0.00 H new ATOM 522 N TRP A 35 -7.602 4.647 -4.528 1.00 0.00 N ATOM 523 CA TRP A 35 -6.799 3.521 -4.994 1.00 0.00 C ATOM 524 C TRP A 35 -7.489 2.842 -6.160 1.00 0.00 C ATOM 525 O TRP A 35 -8.737 2.785 -6.210 1.00 0.00 O ATOM 526 CB TRP A 35 -6.625 2.505 -3.834 1.00 0.00 C ATOM 527 CG TRP A 35 -5.500 2.765 -2.830 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.618 3.517 -1.641 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.221 2.247 -2.828 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.430 3.471 -0.883 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.585 2.670 -1.633 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.530 1.438 -3.768 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.282 2.217 -1.325 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.255 0.980 -3.426 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.661 1.324 -2.202 1.00 0.00 C ATOM 0 H TRP A 35 -8.580 4.401 -4.373 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.823 3.883 -5.319 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.564 2.460 -3.283 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.465 1.520 -4.271 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.506 4.059 -1.349 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.237 3.923 0.011 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.976 1.184 -4.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.778 2.554 -0.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.716 0.349 -4.117 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.708 0.892 -1.934 1.00 0.00 H new ATOM 546 N GLU A 36 -6.741 2.330 -7.116 1.00 0.00 N ATOM 547 CA GLU A 36 -7.328 1.762 -8.331 1.00 0.00 C ATOM 548 C GLU A 36 -6.573 0.528 -8.763 1.00 0.00 C ATOM 549 O GLU A 36 -5.414 0.314 -8.327 1.00 0.00 O ATOM 550 CB GLU A 36 -7.313 2.856 -9.435 1.00 0.00 C ATOM 551 CG GLU A 36 -6.520 2.558 -10.750 1.00 0.00 C ATOM 552 CD GLU A 36 -6.657 3.539 -11.917 1.00 0.00 C ATOM 553 OE1 GLU A 36 -7.939 3.937 -12.150 1.00 0.00 O ATOM 554 OE2 GLU A 36 -5.703 3.929 -12.577 1.00 0.00 O ATOM 0 H GLU A 36 -5.722 2.292 -7.083 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.356 1.452 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.346 3.069 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.905 3.767 -8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.463 2.492 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.824 1.573 -11.106 1.00 0.00 H new ATOM 561 N LYS A 37 -7.148 -0.290 -9.623 1.00 0.00 N ATOM 562 CA LYS A 37 -6.433 -1.463 -10.144 1.00 0.00 C ATOM 563 C LYS A 37 -5.911 -1.156 -11.532 1.00 0.00 C ATOM 564 O LYS A 37 -6.623 -1.224 -12.542 1.00 0.00 O ATOM 565 CB LYS A 37 -7.347 -2.717 -10.116 1.00 0.00 C ATOM 566 CG LYS A 37 -8.490 -2.724 -11.160 1.00 0.00 C ATOM 567 CD LYS A 37 -8.273 -3.661 -12.352 1.00 0.00 C ATOM 568 CE LYS A 37 -9.243 -4.845 -12.245 1.00 0.00 C ATOM 569 NZ LYS A 37 -9.189 -5.401 -10.881 1.00 0.00 N ATOM 0 H LYS A 37 -8.097 -0.176 -9.979 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.578 -1.689 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.729 -3.601 -10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.784 -2.806 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.417 -3.006 -10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.626 -1.709 -11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.437 -3.124 -13.286 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.243 -4.019 -12.366 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.257 -4.520 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.979 -5.612 -12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.382 -6.422 -10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.244 -5.240 -10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.903 -4.933 -10.287 1.00 0.00 H new ATOM 583 N THR A 38 -4.647 -0.774 -11.581 1.00 0.00 N ATOM 584 CA THR A 38 -4.022 -0.262 -12.798 1.00 0.00 C ATOM 585 C THR A 38 -4.306 -1.122 -14.010 1.00 0.00 C ATOM 586 O THR A 38 -4.355 -0.630 -15.152 1.00 0.00 O ATOM 587 CB THR A 38 -2.472 -0.112 -12.606 1.00 0.00 C ATOM 588 OG1 THR A 38 -1.812 -1.320 -12.959 1.00 0.00 O ATOM 589 CG2 THR A 38 -1.983 0.197 -11.175 1.00 0.00 C ATOM 0 H THR A 38 -4.019 -0.808 -10.778 1.00 0.00 H new ATOM 0 HA THR A 38 -4.465 0.717 -12.982 1.00 0.00 H new ATOM 0 HB THR A 38 -2.236 0.741 -13.242 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.986 -1.112 -13.444 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.896 0.277 -11.171 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.417 1.138 -10.837 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.290 -0.606 -10.504 1.00 0.00 H new ATOM 597 N SER A 39 -4.478 -2.413 -13.802 1.00 0.00 N ATOM 598 CA SER A 39 -4.587 -3.383 -14.891 1.00 0.00 C ATOM 599 C SER A 39 -5.616 -2.978 -15.923 1.00 0.00 C ATOM 600 O SER A 39 -5.384 -3.151 -17.144 1.00 0.00 O ATOM 601 CB SER A 39 -4.870 -4.804 -14.340 1.00 0.00 C ATOM 602 OG SER A 39 -6.263 -5.075 -14.158 1.00 0.00 O ATOM 0 H SER A 39 -4.547 -2.827 -12.872 1.00 0.00 H new ATOM 0 HA SER A 39 -3.624 -3.401 -15.401 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.450 -5.541 -15.024 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.356 -4.925 -13.386 1.00 0.00 H new ATOM 0 HG SER A 39 -6.377 -5.984 -13.811 1.00 0.00 H new ATOM 608 N ASP A 40 -6.760 -2.467 -15.511 1.00 0.00 N ATOM 609 CA ASP A 40 -7.779 -2.012 -16.461 1.00 0.00 C ATOM 610 C ASP A 40 -8.656 -0.925 -15.885 1.00 0.00 C ATOM 611 O ASP A 40 -9.874 -0.873 -16.153 1.00 0.00 O ATOM 612 CB ASP A 40 -8.614 -3.220 -16.961 1.00 0.00 C ATOM 613 CG ASP A 40 -9.346 -4.053 -15.900 1.00 0.00 C ATOM 614 OD1 ASP A 40 -8.765 -4.749 -15.081 1.00 0.00 O ATOM 615 OD2 ASP A 40 -10.707 -3.949 -15.990 1.00 0.00 O ATOM 0 H ASP A 40 -7.015 -2.353 -14.530 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.268 -1.566 -17.314 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.355 -2.849 -17.669 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.950 -3.885 -17.513 1.00 0.00 H new ATOM 620 N LYS A 41 -8.088 -0.025 -15.105 1.00 0.00 N ATOM 621 CA LYS A 41 -8.815 1.154 -14.638 1.00 0.00 C ATOM 622 C LYS A 41 -10.051 0.762 -13.865 1.00 0.00 C ATOM 623 O LYS A 41 -11.197 0.885 -14.318 1.00 0.00 O ATOM 624 CB LYS A 41 -9.187 2.048 -15.855 1.00 0.00 C ATOM 625 CG LYS A 41 -10.033 3.287 -15.465 1.00 0.00 C ATOM 626 CD LYS A 41 -11.520 3.206 -15.818 1.00 0.00 C ATOM 627 CE LYS A 41 -11.703 3.315 -17.337 1.00 0.00 C ATOM 628 NZ LYS A 41 -13.111 3.629 -17.638 1.00 0.00 N ATOM 0 H LYS A 41 -7.124 -0.083 -14.778 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.172 1.717 -13.962 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.273 2.380 -16.347 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.740 1.452 -16.580 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.940 3.445 -14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.608 4.164 -15.954 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.937 2.265 -15.459 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.065 4.007 -15.319 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.052 4.092 -17.738 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.417 2.379 -17.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.238 3.703 -18.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.722 2.873 -17.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.368 4.532 -17.191 1.00 0.00 H new ATOM 642 N LYS A 42 -9.824 0.244 -12.659 1.00 0.00 N ATOM 643 CA LYS A 42 -10.931 -0.119 -11.777 1.00 0.00 C ATOM 644 C LYS A 42 -10.772 0.452 -10.381 1.00 0.00 C ATOM 645 O LYS A 42 -10.303 -0.209 -9.447 1.00 0.00 O ATOM 646 CB LYS A 42 -11.066 -1.666 -11.736 1.00 0.00 C ATOM 647 CG LYS A 42 -12.491 -2.160 -11.382 1.00 0.00 C ATOM 648 CD LYS A 42 -12.674 -2.608 -9.930 1.00 0.00 C ATOM 649 CE LYS A 42 -14.109 -3.112 -9.730 1.00 0.00 C ATOM 650 NZ LYS A 42 -14.198 -3.841 -8.452 1.00 0.00 N ATOM 0 H LYS A 42 -8.896 0.068 -12.274 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.844 0.318 -12.181 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.781 -2.072 -12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.362 -2.064 -11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.200 -1.360 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.745 -2.992 -12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.962 -3.398 -9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.471 -1.778 -9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.805 -2.273 -9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.395 -3.765 -10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.170 -4.183 -8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.545 -4.650 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.942 -3.204 -7.671 1.00 0.00 H new ATOM 664 N LYS A 43 -11.214 1.691 -10.229 1.00 0.00 N ATOM 665 CA LYS A 43 -11.279 2.348 -8.928 1.00 0.00 C ATOM 666 C LYS A 43 -11.880 1.424 -7.891 1.00 0.00 C ATOM 667 O LYS A 43 -13.097 1.205 -7.817 1.00 0.00 O ATOM 668 CB LYS A 43 -12.097 3.664 -9.046 1.00 0.00 C ATOM 669 CG LYS A 43 -13.323 3.565 -9.988 1.00 0.00 C ATOM 670 CD LYS A 43 -14.440 4.572 -9.698 1.00 0.00 C ATOM 671 CE LYS A 43 -15.630 4.298 -10.626 1.00 0.00 C ATOM 672 NZ LYS A 43 -16.886 4.560 -9.902 1.00 0.00 N ATOM 0 H LYS A 43 -11.538 2.271 -11.003 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.268 2.594 -8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.438 3.957 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.440 4.457 -9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.986 3.704 -11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.735 2.558 -9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.752 4.495 -8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.075 5.588 -9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.569 4.931 -11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.605 3.265 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.694 4.375 -10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.944 3.938 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.908 5.553 -9.593 1.00 0.00 H new ATOM 686 N ILE A 44 -11.014 0.845 -7.081 1.00 0.00 N ATOM 687 CA ILE A 44 -11.386 -0.196 -6.127 1.00 0.00 C ATOM 688 C ILE A 44 -11.751 0.381 -4.779 1.00 0.00 C ATOM 689 O ILE A 44 -12.786 0.031 -4.183 1.00 0.00 O ATOM 690 CB ILE A 44 -10.237 -1.285 -6.022 1.00 0.00 C ATOM 691 CG1 ILE A 44 -8.803 -0.734 -6.308 1.00 0.00 C ATOM 692 CG2 ILE A 44 -10.479 -2.512 -6.954 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.635 -1.555 -5.725 1.00 0.00 C ATOM 0 H ILE A 44 -10.022 1.082 -7.062 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.283 -0.693 -6.498 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.284 -1.596 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.670 -0.666 -7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.740 0.281 -5.915 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.661 -3.223 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.419 -2.994 -6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.526 -2.178 -7.990 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.690 -1.079 -5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.730 -1.603 -4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.659 -2.564 -6.136 1.00 0.00 H new ATOM 705 N ALA A 45 -10.917 1.259 -4.255 1.00 0.00 N ATOM 706 CA ALA A 45 -11.153 1.894 -2.959 1.00 0.00 C ATOM 707 C ALA A 45 -11.112 3.400 -3.090 1.00 0.00 C ATOM 708 O ALA A 45 -10.269 3.941 -3.840 1.00 0.00 O ATOM 709 CB ALA A 45 -10.102 1.349 -1.977 1.00 0.00 C ATOM 0 H ALA A 45 -10.054 1.557 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.146 1.658 -2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.249 1.803 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.207 0.267 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.104 1.590 -2.342 1.00 0.00 H new ATOM 715 N GLN A 46 -11.961 4.118 -2.380 1.00 0.00 N ATOM 716 CA GLN A 46 -11.975 5.584 -2.467 1.00 0.00 C ATOM 717 C GLN A 46 -12.558 6.233 -1.232 1.00 0.00 C ATOM 718 O GLN A 46 -13.359 5.655 -0.484 1.00 0.00 O ATOM 719 CB GLN A 46 -12.769 5.989 -3.728 1.00 0.00 C ATOM 720 CG GLN A 46 -12.359 5.276 -5.060 1.00 0.00 C ATOM 721 CD GLN A 46 -13.427 4.943 -6.108 1.00 0.00 C ATOM 722 OE1 GLN A 46 -13.496 3.737 -6.611 1.00 0.00 O flip ATOM 723 NE2 GLN A 46 -14.207 5.793 -6.506 1.00 0.00 N flip ATOM 0 H GLN A 46 -12.649 3.724 -1.738 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.946 5.938 -2.536 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -13.826 5.793 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.664 7.065 -3.869 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.611 5.902 -5.546 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.866 4.342 -4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.168 6.739 -6.126 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.897 5.558 -7.219 1.00 0.00 H new ATOM 732 N PHE A 47 -12.175 7.481 -1.006 1.00 0.00 N ATOM 733 CA PHE A 47 -12.714 8.309 0.068 1.00 0.00 C ATOM 734 C PHE A 47 -13.106 9.675 -0.454 1.00 0.00 C ATOM 735 O PHE A 47 -12.236 10.485 -0.836 1.00 0.00 O ATOM 736 CB PHE A 47 -11.649 8.501 1.193 1.00 0.00 C ATOM 737 CG PHE A 47 -12.059 8.121 2.626 1.00 0.00 C ATOM 738 CD1 PHE A 47 -13.109 8.780 3.269 1.00 0.00 C ATOM 739 CD2 PHE A 47 -11.327 7.150 3.320 1.00 0.00 C ATOM 740 CE1 PHE A 47 -13.419 8.477 4.592 1.00 0.00 C ATOM 741 CE2 PHE A 47 -11.629 6.857 4.645 1.00 0.00 C ATOM 742 CZ PHE A 47 -12.677 7.518 5.281 1.00 0.00 C ATOM 0 H PHE A 47 -11.471 7.956 -1.571 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.592 7.802 0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.769 7.915 0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -11.346 9.548 1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.682 9.526 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.524 6.626 2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.235 8.985 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.052 6.118 5.180 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.915 7.288 6.309 1.00 0.00 H new ATOM 752 N ARG A 48 -14.389 9.980 -0.461 1.00 0.00 N ATOM 753 CA ARG A 48 -14.895 11.247 -0.990 1.00 0.00 C ATOM 754 C ARG A 48 -15.994 11.809 -0.116 1.00 0.00 C ATOM 755 O ARG A 48 -17.158 11.377 -0.185 1.00 0.00 O ATOM 756 CB ARG A 48 -15.398 11.031 -2.445 1.00 0.00 C ATOM 757 CG ARG A 48 -14.376 10.382 -3.417 1.00 0.00 C ATOM 758 CD ARG A 48 -15.044 9.794 -4.668 1.00 0.00 C ATOM 759 NE ARG A 48 -15.796 10.876 -5.354 1.00 0.00 N ATOM 760 CZ ARG A 48 -16.296 10.809 -6.581 1.00 0.00 C ATOM 761 NH1 ARG A 48 -16.182 9.778 -7.365 1.00 0.00 N ATOM 762 NH2 ARG A 48 -16.934 11.837 -7.018 1.00 0.00 N ATOM 0 H ARG A 48 -15.116 9.361 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.084 11.976 -0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.290 10.406 -2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.699 11.996 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.642 11.129 -3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.833 9.594 -2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.293 9.373 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.716 8.982 -4.392 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.940 11.744 -4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.681 8.948 -7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.594 9.799 -8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.039 12.661 -6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.335 11.828 -7.956 1.00 0.00 H new ATOM 776 N LYS A 49 -15.668 12.791 0.702 1.00 0.00 N ATOM 777 CA LYS A 49 -16.656 13.484 1.527 1.00 0.00 C ATOM 778 C LYS A 49 -17.126 12.596 2.656 1.00 0.00 C ATOM 779 O LYS A 49 -17.204 11.365 2.538 1.00 0.00 O ATOM 780 CB LYS A 49 -17.850 13.947 0.647 1.00 0.00 C ATOM 781 CG LYS A 49 -18.117 15.472 0.716 1.00 0.00 C ATOM 782 CD LYS A 49 -19.538 15.863 1.132 1.00 0.00 C ATOM 783 CE LYS A 49 -19.774 17.344 0.805 1.00 0.00 C ATOM 784 NZ LYS A 49 -20.601 17.956 1.860 1.00 0.00 N ATOM 0 H LYS A 49 -14.715 13.135 0.818 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.191 14.365 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.657 13.667 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.749 13.415 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.413 15.917 1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.908 15.907 -0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.266 15.243 0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.678 15.688 2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.820 17.866 0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.270 17.439 -0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.760 18.959 1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.515 17.464 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.111 17.877 2.774 1.00 0.00 H new ATOM 798 N GLU A 50 -17.467 13.220 3.771 1.00 0.00 N ATOM 799 CA GLU A 50 -17.926 12.504 4.957 1.00 0.00 C ATOM 800 C GLU A 50 -19.423 12.306 4.950 1.00 0.00 C ATOM 801 O GLU A 50 -20.089 12.428 6.002 1.00 0.00 O ATOM 802 CB GLU A 50 -17.478 13.306 6.214 1.00 0.00 C ATOM 803 CG GLU A 50 -17.264 12.505 7.541 1.00 0.00 C ATOM 804 CD GLU A 50 -18.497 12.082 8.343 1.00 0.00 C ATOM 805 OE1 GLU A 50 -19.395 13.087 8.540 1.00 0.00 O ATOM 806 OE2 GLU A 50 -18.657 10.945 8.768 1.00 0.00 O ATOM 0 H GLU A 50 -17.435 14.233 3.883 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.483 11.508 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.545 13.815 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.223 14.079 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.701 11.604 7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.634 13.108 8.195 1.00 0.00 H new ATOM 813 N LYS A 51 -20.005 11.982 3.812 1.00 0.00 N ATOM 814 CA LYS A 51 -21.432 11.625 3.710 1.00 0.00 C ATOM 815 C LYS A 51 -21.701 10.211 3.191 1.00 0.00 C ATOM 816 O LYS A 51 -22.815 9.684 3.257 1.00 0.00 O ATOM 817 CB LYS A 51 -22.116 12.645 2.761 1.00 0.00 C ATOM 818 CG LYS A 51 -23.485 13.146 3.280 1.00 0.00 C ATOM 819 CD LYS A 51 -24.615 12.113 3.259 1.00 0.00 C ATOM 820 CE LYS A 51 -24.863 11.651 1.817 1.00 0.00 C ATOM 821 NZ LYS A 51 -25.607 12.694 1.089 1.00 0.00 N ATOM 0 H LYS A 51 -19.511 11.955 2.920 1.00 0.00 H new ATOM 0 HA LYS A 51 -21.835 11.654 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.454 13.500 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -22.253 12.184 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.359 13.500 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.789 14.004 2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -24.353 11.260 3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -25.525 12.546 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.914 11.451 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -25.427 10.718 1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.908 12.324 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -26.444 12.972 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.995 13.523 0.948 1.00 0.00 H new ATOM 835 N GLU A 52 -20.635 9.607 2.701 1.00 0.00 N ATOM 836 CA GLU A 52 -20.687 8.286 2.087 1.00 0.00 C ATOM 837 C GLU A 52 -19.386 7.965 1.386 1.00 0.00 C ATOM 838 O GLU A 52 -19.152 8.363 0.234 1.00 0.00 O ATOM 839 CB GLU A 52 -21.881 8.239 1.092 1.00 0.00 C ATOM 840 CG GLU A 52 -22.172 6.872 0.389 1.00 0.00 C ATOM 841 CD GLU A 52 -23.593 6.595 -0.108 1.00 0.00 C ATOM 842 OE1 GLU A 52 -24.493 7.557 0.236 1.00 0.00 O ATOM 843 OE2 GLU A 52 -23.890 5.598 -0.754 1.00 0.00 O ATOM 0 H GLU A 52 -19.702 10.018 2.716 1.00 0.00 H new ATOM 0 HA GLU A 52 -20.832 7.533 2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.780 8.541 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.706 8.986 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.500 6.789 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.903 6.077 1.085 1.00 0.00 H new ATOM 850 N THR A 53 -18.523 7.224 2.056 1.00 0.00 N ATOM 851 CA THR A 53 -17.279 6.746 1.457 1.00 0.00 C ATOM 852 C THR A 53 -17.527 5.551 0.567 1.00 0.00 C ATOM 853 O THR A 53 -18.652 5.033 0.471 1.00 0.00 O ATOM 854 CB THR A 53 -16.234 6.397 2.570 1.00 0.00 C ATOM 855 OG1 THR A 53 -16.533 5.136 3.155 1.00 0.00 O ATOM 856 CG2 THR A 53 -16.156 7.370 3.767 1.00 0.00 C ATOM 0 H THR A 53 -18.658 6.935 3.025 1.00 0.00 H new ATOM 0 HA THR A 53 -16.873 7.546 0.838 1.00 0.00 H new ATOM 0 HB THR A 53 -15.290 6.436 2.027 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.870 4.931 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.398 7.023 4.469 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.891 8.365 3.410 1.00 0.00 H new ATOM 0 HG23 THR A 53 -17.124 7.409 4.267 1.00 0.00 H new ATOM 864 N PHE A 54 -16.492 5.091 -0.109 1.00 0.00 N ATOM 865 CA PHE A 54 -16.564 3.864 -0.898 1.00 0.00 C ATOM 866 C PHE A 54 -15.592 2.831 -0.378 1.00 0.00 C ATOM 867 O PHE A 54 -14.409 2.797 -0.746 1.00 0.00 O ATOM 868 CB PHE A 54 -16.236 4.161 -2.393 1.00 0.00 C ATOM 869 CG PHE A 54 -16.161 2.956 -3.344 1.00 0.00 C ATOM 870 CD1 PHE A 54 -16.379 1.658 -2.878 1.00 0.00 C ATOM 871 CD2 PHE A 54 -15.818 3.158 -4.685 1.00 0.00 C ATOM 872 CE1 PHE A 54 -16.259 0.574 -3.743 1.00 0.00 C ATOM 873 CE2 PHE A 54 -15.709 2.076 -5.553 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.934 0.784 -5.083 1.00 0.00 C ATOM 0 H PHE A 54 -15.581 5.549 -0.131 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.579 3.474 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.991 4.848 -2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.280 4.684 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.642 1.495 -1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.637 4.159 -5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.418 -0.429 -3.377 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.450 2.237 -6.589 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.857 -0.056 -5.757 1.00 0.00 H new ATOM 884 N LYS A 55 -16.081 1.958 0.484 1.00 0.00 N ATOM 885 CA LYS A 55 -15.305 0.820 0.968 1.00 0.00 C ATOM 886 C LYS A 55 -16.201 -0.198 1.636 1.00 0.00 C ATOM 887 O LYS A 55 -16.027 -0.555 2.810 1.00 0.00 O ATOM 888 CB LYS A 55 -14.199 1.317 1.939 1.00 0.00 C ATOM 889 CG LYS A 55 -14.733 2.096 3.166 1.00 0.00 C ATOM 890 CD LYS A 55 -13.926 1.899 4.454 1.00 0.00 C ATOM 891 CE LYS A 55 -14.037 3.158 5.325 1.00 0.00 C ATOM 892 NZ LYS A 55 -13.031 3.099 6.400 1.00 0.00 N ATOM 0 H LYS A 55 -17.024 2.013 0.870 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.829 0.328 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.626 0.458 2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.509 1.957 1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.751 3.159 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.764 1.794 3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.298 1.032 5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.881 1.700 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.883 4.049 4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.037 3.232 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.105 3.951 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.198 2.256 6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.080 3.048 5.983 1.00 0.00 H new ATOM 906 N GLU A 56 -17.174 -0.688 0.890 1.00 0.00 N ATOM 907 CA GLU A 56 -18.130 -1.672 1.391 1.00 0.00 C ATOM 908 C GLU A 56 -17.657 -3.085 1.145 1.00 0.00 C ATOM 909 O GLU A 56 -18.472 -4.009 0.938 1.00 0.00 O ATOM 910 CB GLU A 56 -19.499 -1.414 0.697 1.00 0.00 C ATOM 911 CG GLU A 56 -20.795 -1.762 1.501 1.00 0.00 C ATOM 912 CD GLU A 56 -22.107 -1.928 0.729 1.00 0.00 C ATOM 913 OE1 GLU A 56 -22.083 -1.379 -0.517 1.00 0.00 O ATOM 914 OE2 GLU A 56 -23.084 -2.502 1.192 1.00 0.00 O ATOM 0 H GLU A 56 -17.328 -0.418 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.230 -1.563 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.545 -0.359 0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.517 -1.983 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.610 -2.688 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.944 -0.980 2.245 1.00 0.00 H new ATOM 921 N LYS A 57 -16.358 -3.317 1.176 1.00 0.00 N ATOM 922 CA LYS A 57 -15.791 -4.633 0.873 1.00 0.00 C ATOM 923 C LYS A 57 -14.319 -4.672 1.210 1.00 0.00 C ATOM 924 O LYS A 57 -13.508 -3.905 0.656 1.00 0.00 O ATOM 925 CB LYS A 57 -16.039 -4.967 -0.623 1.00 0.00 C ATOM 926 CG LYS A 57 -16.989 -6.173 -0.841 1.00 0.00 C ATOM 927 CD LYS A 57 -17.102 -6.654 -2.291 1.00 0.00 C ATOM 928 CE LYS A 57 -17.901 -5.629 -3.107 1.00 0.00 C ATOM 929 NZ LYS A 57 -18.966 -6.320 -3.856 1.00 0.00 N ATOM 0 H LYS A 57 -15.663 -2.608 1.410 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.282 -5.389 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.458 -4.091 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.083 -5.177 -1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.645 -7.003 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.983 -5.902 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.109 -6.783 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.594 -7.626 -2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.335 -4.880 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.241 -5.102 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.508 -5.626 -4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.541 -7.019 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.601 -6.803 -3.190 1.00 0.00 H new ATOM 943 N ASP A 58 -13.929 -5.541 2.123 1.00 0.00 N ATOM 944 CA ASP A 58 -12.560 -5.549 2.643 1.00 0.00 C ATOM 945 C ASP A 58 -11.536 -6.057 1.650 1.00 0.00 C ATOM 946 O ASP A 58 -10.313 -5.932 1.887 1.00 0.00 O ATOM 947 CB ASP A 58 -12.504 -6.367 3.963 1.00 0.00 C ATOM 948 CG ASP A 58 -13.581 -6.065 5.013 1.00 0.00 C ATOM 949 OD1 ASP A 58 -13.515 -5.117 5.784 1.00 0.00 O ATOM 950 OD2 ASP A 58 -14.623 -6.949 4.976 1.00 0.00 O ATOM 0 H ASP A 58 -14.536 -6.255 2.525 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.290 -4.511 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.565 -7.425 3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.528 -6.205 4.421 1.00 0.00 H new ATOM 955 N THR A 59 -11.964 -6.648 0.552 1.00 0.00 N ATOM 956 CA THR A 59 -11.033 -7.115 -0.476 1.00 0.00 C ATOM 957 C THR A 59 -10.190 -5.973 -0.989 1.00 0.00 C ATOM 958 O THR A 59 -9.086 -6.163 -1.521 1.00 0.00 O ATOM 959 CB THR A 59 -11.793 -7.801 -1.663 1.00 0.00 C ATOM 960 OG1 THR A 59 -10.870 -8.245 -2.650 1.00 0.00 O ATOM 961 CG2 THR A 59 -12.801 -6.923 -2.437 1.00 0.00 C ATOM 0 H THR A 59 -12.947 -6.820 0.342 1.00 0.00 H new ATOM 0 HA THR A 59 -10.379 -7.857 -0.017 1.00 0.00 H new ATOM 0 HB THR A 59 -12.344 -8.596 -1.161 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.357 -8.673 -3.385 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.260 -7.511 -3.232 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.574 -6.569 -1.755 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.281 -6.069 -2.871 1.00 0.00 H new ATOM 969 N TYR A 60 -10.718 -4.768 -0.893 1.00 0.00 N ATOM 970 CA TYR A 60 -9.935 -3.567 -1.184 1.00 0.00 C ATOM 971 C TYR A 60 -10.427 -2.400 -0.358 1.00 0.00 C ATOM 972 O TYR A 60 -11.378 -1.693 -0.748 1.00 0.00 O ATOM 973 CB TYR A 60 -10.036 -3.173 -2.685 1.00 0.00 C ATOM 974 CG TYR A 60 -9.344 -4.084 -3.706 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.022 -4.486 -3.493 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.022 -4.527 -4.845 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.386 -5.323 -4.406 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.386 -5.367 -5.755 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.069 -5.763 -5.537 1.00 0.00 C ATOM 980 OH TYR A 60 -7.450 -6.583 -6.438 1.00 0.00 O ATOM 0 H TYR A 60 -11.683 -4.587 -0.617 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.898 -3.796 -0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.092 -3.116 -2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.625 -2.170 -2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.492 -4.146 -2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.042 -4.217 -5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.365 -5.631 -4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.915 -5.712 -6.631 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.070 -6.795 -7.167 1.00 0.00 H new ATOM 990 N LYS A 61 -9.831 -2.170 0.798 1.00 0.00 N ATOM 991 CA LYS A 61 -10.322 -1.165 1.744 1.00 0.00 C ATOM 992 C LYS A 61 -9.249 -0.172 2.134 1.00 0.00 C ATOM 993 O LYS A 61 -8.108 -0.531 2.455 1.00 0.00 O ATOM 994 CB LYS A 61 -10.883 -1.886 3.002 1.00 0.00 C ATOM 995 CG LYS A 61 -10.619 -1.140 4.334 1.00 0.00 C ATOM 996 CD LYS A 61 -11.378 -1.690 5.545 1.00 0.00 C ATOM 997 CE LYS A 61 -10.497 -1.570 6.796 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.282 -0.146 7.109 1.00 0.00 N ATOM 0 H LYS A 61 -8.998 -2.667 1.113 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.113 -0.594 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.958 -2.020 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.443 -2.881 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.551 -1.175 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.884 -0.091 4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.307 -1.138 5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.649 -2.732 5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.973 -2.071 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.541 -2.065 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.159 -0.031 8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.430 0.193 6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.105 0.407 6.795 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.611 1.098 2.143 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.723 2.179 2.564 1.00 0.00 C ATOM 1014 C LEU A 62 -8.677 2.281 4.070 1.00 0.00 C ATOM 1015 O LEU A 62 -9.658 1.958 4.769 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.174 3.528 1.929 1.00 0.00 C ATOM 1017 CG LEU A 62 -8.555 3.921 0.559 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -8.160 2.656 -0.219 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -9.494 4.783 -0.300 1.00 0.00 C ATOM 0 H LEU A 62 -10.537 1.416 1.857 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.716 1.954 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.257 3.499 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.951 4.325 2.639 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.673 4.525 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.727 2.939 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.428 2.089 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.044 2.042 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.005 5.025 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.413 4.232 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.731 5.704 0.232 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.571 2.747 4.619 1.00 0.00 N ATOM 1032 CA PHE A 63 -7.460 3.002 6.055 1.00 0.00 C ATOM 1033 C PHE A 63 -7.396 4.483 6.346 1.00 0.00 C ATOM 1034 O PHE A 63 -7.349 5.328 5.435 1.00 0.00 O ATOM 1035 CB PHE A 63 -6.173 2.325 6.618 1.00 0.00 C ATOM 1036 CG PHE A 63 -6.178 0.790 6.684 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -7.352 0.115 7.036 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -5.012 0.060 6.437 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -7.368 -1.273 7.110 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -5.029 -1.330 6.515 1.00 0.00 C ATOM 1041 CZ PHE A 63 -6.207 -1.996 6.848 1.00 0.00 C ATOM 0 H PHE A 63 -6.725 2.961 4.091 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.346 2.586 6.534 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.327 2.637 6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.997 2.709 7.623 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.250 0.675 7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.097 0.575 6.185 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.280 -1.790 7.370 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.129 -1.893 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.220 -3.075 6.903 1.00 0.00 H new ATOM 1051 N LYS A 64 -7.415 4.840 7.619 1.00 0.00 N ATOM 1052 CA LYS A 64 -7.354 6.248 8.019 1.00 0.00 C ATOM 1053 C LYS A 64 -6.020 6.848 7.646 1.00 0.00 C ATOM 1054 O LYS A 64 -5.943 7.968 7.105 1.00 0.00 O ATOM 1055 CB LYS A 64 -7.636 6.378 9.541 1.00 0.00 C ATOM 1056 CG LYS A 64 -6.432 6.052 10.458 1.00 0.00 C ATOM 1057 CD LYS A 64 -6.684 6.289 11.950 1.00 0.00 C ATOM 1058 CE LYS A 64 -5.786 5.357 12.775 1.00 0.00 C ATOM 1059 NZ LYS A 64 -4.380 5.558 12.382 1.00 0.00 N ATOM 0 H LYS A 64 -7.472 4.182 8.396 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.122 6.806 7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.967 7.396 9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.461 5.715 9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.153 5.009 10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.580 6.657 10.146 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.478 7.329 12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.732 6.105 12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.911 5.561 13.838 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.075 4.319 12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.755 5.175 13.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.197 5.066 11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.194 6.575 12.264 1.00 0.00 H new ATOM 1073 N ASN A 65 -4.940 6.149 7.938 1.00 0.00 N ATOM 1074 CA ASN A 65 -3.617 6.556 7.462 1.00 0.00 C ATOM 1075 C ASN A 65 -3.559 6.496 5.952 1.00 0.00 C ATOM 1076 O ASN A 65 -2.688 7.114 5.314 1.00 0.00 O ATOM 1077 CB ASN A 65 -2.522 5.656 8.103 1.00 0.00 C ATOM 1078 CG ASN A 65 -2.716 4.140 7.997 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -3.713 3.644 7.493 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.758 3.327 8.492 1.00 0.00 N ATOM 0 H ASN A 65 -4.945 5.298 8.500 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.431 7.587 7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.566 5.908 7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.447 5.915 9.159 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.920 3.725 8.916 1.00 0.00 H new ATOM 1086 N GLY A 66 -4.458 5.745 5.344 1.00 0.00 N ATOM 1087 CA GLY A 66 -4.608 5.746 3.893 1.00 0.00 C ATOM 1088 C GLY A 66 -3.928 4.574 3.227 1.00 0.00 C ATOM 1089 O GLY A 66 -3.600 4.639 2.023 1.00 0.00 O ATOM 0 H GLY A 66 -5.101 5.121 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.669 5.733 3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.198 6.673 3.492 1.00 0.00 H new ATOM 1093 N THR A 67 -3.715 3.477 3.928 1.00 0.00 N ATOM 1094 CA THR A 67 -3.200 2.252 3.317 1.00 0.00 C ATOM 1095 C THR A 67 -4.330 1.408 2.777 1.00 0.00 C ATOM 1096 O THR A 67 -5.459 1.432 3.307 1.00 0.00 O ATOM 1097 CB THR A 67 -2.348 1.441 4.352 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.960 1.652 4.129 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.515 -0.094 4.323 1.00 0.00 C ATOM 0 H THR A 67 -3.890 3.403 4.930 1.00 0.00 H new ATOM 0 HA THR A 67 -2.556 2.529 2.483 1.00 0.00 H new ATOM 0 HB THR A 67 -2.718 1.815 5.306 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.730 1.377 3.217 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.876 -0.544 5.083 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.555 -0.351 4.525 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.232 -0.472 3.341 1.00 0.00 H new ATOM 1107 N LEU A 68 -4.080 0.640 1.732 1.00 0.00 N ATOM 1108 CA LEU A 68 -5.107 -0.216 1.138 1.00 0.00 C ATOM 1109 C LEU A 68 -4.851 -1.676 1.429 1.00 0.00 C ATOM 1110 O LEU A 68 -3.930 -2.303 0.885 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.213 0.020 -0.399 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.341 -0.730 -1.162 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -6.983 0.118 -2.271 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.796 -2.036 -1.756 1.00 0.00 C ATOM 0 H LEU A 68 -3.172 0.587 1.271 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.058 0.056 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.346 1.089 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.260 -0.258 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.122 -0.946 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.763 -0.461 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.420 1.017 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.223 0.401 -2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.594 -2.554 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.985 -1.810 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.422 -2.672 -0.954 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.685 -2.257 2.272 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.631 -3.690 2.553 1.00 0.00 C ATOM 1128 C LYS A 69 -6.331 -4.480 1.471 1.00 0.00 C ATOM 1129 O LYS A 69 -7.372 -4.068 0.935 1.00 0.00 O ATOM 1130 CB LYS A 69 -6.258 -3.962 3.948 1.00 0.00 C ATOM 1131 CG LYS A 69 -6.220 -5.452 4.372 1.00 0.00 C ATOM 1132 CD LYS A 69 -7.523 -5.980 4.979 1.00 0.00 C ATOM 1133 CE LYS A 69 -7.902 -5.126 6.197 1.00 0.00 C ATOM 1134 NZ LYS A 69 -9.166 -5.625 6.767 1.00 0.00 N ATOM 0 H LYS A 69 -6.415 -1.758 2.780 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.591 -4.016 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.731 -3.368 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.294 -3.622 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.970 -6.057 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.417 -5.589 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.321 -5.949 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.403 -7.022 5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.111 -5.168 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.009 -4.082 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.426 -5.049 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.918 -5.563 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.047 -6.616 7.060 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.787 -5.636 1.138 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.423 -6.542 0.181 1.00 0.00 C ATOM 1150 C ILE A 70 -6.572 -7.923 0.774 1.00 0.00 C ATOM 1151 O ILE A 70 -5.584 -8.607 1.091 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.659 -6.587 -1.208 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -5.161 -5.207 -1.747 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.504 -7.264 -2.332 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -3.767 -5.209 -2.410 1.00 0.00 C ATOM 0 H ILE A 70 -4.902 -5.977 1.514 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.418 -6.148 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.778 -7.184 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.887 -4.838 -2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.148 -4.498 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.935 -7.269 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.738 -8.289 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.430 -6.707 -2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.523 -4.201 -2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.021 -5.541 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.771 -5.886 -3.264 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.806 -8.361 0.950 1.00 0.00 N ATOM 1168 CA LYS A 71 -8.073 -9.654 1.580 1.00 0.00 C ATOM 1169 C LYS A 71 -7.926 -10.791 0.591 1.00 0.00 C ATOM 1170 O LYS A 71 -8.443 -10.745 -0.533 1.00 0.00 O ATOM 1171 CB LYS A 71 -9.497 -9.640 2.199 1.00 0.00 C ATOM 1172 CG LYS A 71 -9.671 -10.638 3.371 1.00 0.00 C ATOM 1173 CD LYS A 71 -10.700 -11.746 3.126 1.00 0.00 C ATOM 1174 CE LYS A 71 -11.553 -11.932 4.389 1.00 0.00 C ATOM 1175 NZ LYS A 71 -11.936 -10.612 4.920 1.00 0.00 N ATOM 0 H LYS A 71 -8.641 -7.847 0.669 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.339 -9.817 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.721 -8.634 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.225 -9.874 1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.706 -11.099 3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.962 -10.082 4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.335 -11.488 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.195 -12.678 2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.444 -12.515 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.994 -12.490 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.870 -10.678 5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.232 -10.302 5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.977 -9.923 4.142 1.00 0.00 H new ATOM 1189 N HIS A 72 -7.255 -11.842 1.028 1.00 0.00 N ATOM 1190 CA HIS A 72 -6.899 -12.961 0.160 1.00 0.00 C ATOM 1191 C HIS A 72 -6.004 -12.516 -0.972 1.00 0.00 C ATOM 1192 O HIS A 72 -6.319 -11.632 -1.780 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.223 -13.523 -0.387 1.00 0.00 C ATOM 1194 CG HIS A 72 -8.092 -14.949 -0.834 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -7.104 -15.843 -0.425 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -8.970 -15.539 -1.733 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -7.471 -16.929 -1.130 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -8.567 -16.835 -1.930 1.00 0.00 N ATOM 0 H HIS A 72 -6.940 -11.948 1.992 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.343 -13.717 0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.991 -13.455 0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.557 -12.911 -1.225 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.821 -15.061 -2.196 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.911 -17.850 -1.062 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -8.984 -17.549 -2.527 1.00 0.00 H new ATOM 1207 N LEU A 73 -4.821 -13.122 -1.046 1.00 0.00 N ATOM 1208 CA LEU A 73 -3.840 -12.767 -2.070 1.00 0.00 C ATOM 1209 C LEU A 73 -3.134 -13.970 -2.659 1.00 0.00 C ATOM 1210 O LEU A 73 -2.056 -14.387 -2.214 1.00 0.00 O ATOM 1211 CB LEU A 73 -2.796 -11.765 -1.501 1.00 0.00 C ATOM 1212 CG LEU A 73 -1.656 -11.226 -2.405 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -0.488 -12.207 -2.613 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -2.217 -10.798 -3.768 1.00 0.00 C ATOM 0 H LEU A 73 -4.518 -13.860 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.398 -12.297 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.347 -10.902 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.327 -12.241 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.242 -10.371 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.262 -11.748 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.040 -12.449 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.858 -13.119 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.407 -10.422 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.683 -11.655 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.960 -10.013 -3.626 1.00 0.00 H new ATOM 1226 N LYS A 74 -3.754 -14.567 -3.660 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.114 -15.587 -4.486 1.00 0.00 C ATOM 1228 C LYS A 74 -2.801 -15.018 -5.855 1.00 0.00 C ATOM 1229 O LYS A 74 -2.913 -13.813 -6.120 1.00 0.00 O ATOM 1230 CB LYS A 74 -3.994 -16.864 -4.649 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.519 -16.622 -4.512 1.00 0.00 C ATOM 1232 CD LYS A 74 -6.356 -17.892 -4.337 1.00 0.00 C ATOM 1233 CE LYS A 74 -7.590 -17.812 -5.245 1.00 0.00 C ATOM 1234 NZ LYS A 74 -8.355 -19.068 -5.150 1.00 0.00 N ATOM 0 H LYS A 74 -4.717 -14.362 -3.928 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.197 -15.881 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.796 -17.303 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.688 -17.597 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.694 -15.968 -3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.870 -16.091 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.762 -18.771 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.662 -18.000 -3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.216 -16.970 -4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.284 -17.637 -6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.191 -19.013 -5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.756 -19.863 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.659 -19.216 -4.166 1.00 0.00 H new ATOM 1248 N THR A 75 -2.376 -15.905 -6.742 1.00 0.00 N ATOM 1249 CA THR A 75 -2.222 -15.555 -8.151 1.00 0.00 C ATOM 1250 C THR A 75 -3.437 -14.820 -8.680 1.00 0.00 C ATOM 1251 O THR A 75 -3.369 -14.049 -9.648 1.00 0.00 O ATOM 1252 CB THR A 75 -1.948 -16.838 -9.005 1.00 0.00 C ATOM 1253 OG1 THR A 75 -0.772 -17.496 -8.555 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.715 -16.620 -10.516 1.00 0.00 C ATOM 0 H THR A 75 -2.132 -16.869 -6.515 1.00 0.00 H new ATOM 0 HA THR A 75 -1.367 -14.884 -8.233 1.00 0.00 H new ATOM 0 HB THR A 75 -2.868 -17.408 -8.872 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.617 -18.297 -9.099 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.536 -17.581 -10.999 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.595 -16.151 -10.956 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.849 -15.974 -10.661 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.569 -15.063 -8.046 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.825 -14.426 -8.435 1.00 0.00 C ATOM 1264 C ASP A 76 -5.903 -13.003 -7.936 1.00 0.00 C ATOM 1265 O ASP A 76 -6.232 -12.063 -8.682 1.00 0.00 O ATOM 1266 CB ASP A 76 -7.027 -15.274 -7.940 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.736 -16.147 -8.986 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -8.465 -15.688 -9.854 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -7.483 -17.480 -8.824 1.00 0.00 O ATOM 0 H ASP A 76 -4.650 -15.700 -7.254 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.865 -14.379 -9.523 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.677 -15.923 -7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.764 -14.598 -7.506 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.613 -12.805 -6.663 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.724 -11.484 -6.049 1.00 0.00 C ATOM 1276 C ASP A 77 -4.451 -10.686 -6.211 1.00 0.00 C ATOM 1277 O ASP A 77 -4.271 -9.638 -5.549 1.00 0.00 O ATOM 1278 CB ASP A 77 -6.130 -11.615 -4.557 1.00 0.00 C ATOM 1279 CG ASP A 77 -7.618 -11.412 -4.232 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.379 -12.510 -4.518 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -8.063 -10.367 -3.780 1.00 0.00 O ATOM 0 H ASP A 77 -5.298 -13.540 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.509 -10.934 -6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.837 -12.605 -4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.553 -10.891 -3.981 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.547 -11.110 -7.072 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.345 -10.328 -7.372 1.00 0.00 C ATOM 1288 C GLN A 78 -2.550 -9.437 -8.573 1.00 0.00 C ATOM 1289 O GLN A 78 -2.481 -9.864 -9.734 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.169 -11.302 -7.599 1.00 0.00 C ATOM 1291 CG GLN A 78 0.071 -10.726 -8.361 1.00 0.00 C ATOM 1292 CD GLN A 78 0.207 -10.980 -9.867 1.00 0.00 C ATOM 1293 OE1 GLN A 78 0.499 -10.078 -10.635 1.00 0.00 O ATOM 1294 NE2 GLN A 78 0.006 -12.180 -10.348 1.00 0.00 N ATOM 0 H GLN A 78 -3.614 -11.991 -7.581 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.123 -9.673 -6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.835 -11.667 -6.628 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.541 -12.164 -8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 78 0.078 -9.647 -8.208 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.965 -11.122 -7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.239 -12.946 -9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.094 -12.349 -11.350 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.787 -8.164 -8.304 1.00 0.00 N ATOM 1304 CA ASP A 79 -2.981 -7.164 -9.348 1.00 0.00 C ATOM 1305 C ASP A 79 -2.009 -6.017 -9.193 1.00 0.00 C ATOM 1306 O ASP A 79 -1.231 -5.934 -8.232 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.453 -6.671 -9.351 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.303 -7.038 -10.575 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -4.852 -7.090 -11.710 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -6.606 -7.305 -10.255 1.00 0.00 O ATOM 0 H ASP A 79 -2.851 -7.792 -7.357 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.777 -7.626 -10.314 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.946 -7.068 -8.464 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.448 -5.585 -9.254 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.026 -5.119 -10.160 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.264 -3.876 -10.069 1.00 0.00 C ATOM 1317 C ILE A 80 -2.158 -2.758 -9.574 1.00 0.00 C ATOM 1318 O ILE A 80 -3.383 -2.778 -9.777 1.00 0.00 O ATOM 1319 CB ILE A 80 -0.538 -3.545 -11.436 1.00 0.00 C ATOM 1320 CG1 ILE A 80 0.414 -4.671 -11.955 1.00 0.00 C ATOM 1321 CG2 ILE A 80 0.275 -2.214 -11.382 1.00 0.00 C ATOM 1322 CD1 ILE A 80 -0.039 -5.422 -13.224 1.00 0.00 C ATOM 0 H ILE A 80 -2.560 -5.223 -11.023 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.465 -3.994 -9.337 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.368 -3.450 -12.136 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.391 -4.229 -12.150 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.548 -5.400 -11.156 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.751 -2.039 -12.347 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.397 -1.387 -11.153 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.039 -2.286 -10.608 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.703 -6.177 -13.484 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.998 -5.905 -13.038 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.142 -4.716 -14.048 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.579 -1.786 -8.897 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.334 -0.745 -8.205 1.00 0.00 C ATOM 1336 C TYR A 81 -1.666 0.602 -8.339 1.00 0.00 C ATOM 1337 O TYR A 81 -0.503 0.732 -8.747 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.447 -1.085 -6.687 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.072 -2.444 -6.356 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.253 -3.571 -6.248 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.446 -2.563 -6.141 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -2.802 -4.804 -5.908 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -4.991 -3.795 -5.787 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.169 -4.911 -5.665 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.706 -6.116 -5.311 1.00 0.00 O ATOM 0 H TYR A 81 -0.567 -1.690 -8.807 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.322 -0.702 -8.663 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.449 -1.048 -6.250 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.036 -0.307 -6.202 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.192 -3.485 -6.429 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.086 -1.700 -6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.169 -5.676 -5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.052 -3.884 -5.607 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.649 -6.145 -5.576 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.419 1.639 -8.016 1.00 0.00 N ATOM 1356 CA LYS A 82 -1.885 2.996 -7.959 1.00 0.00 C ATOM 1357 C LYS A 82 -2.653 3.830 -6.963 1.00 0.00 C ATOM 1358 O LYS A 82 -3.895 3.810 -6.916 1.00 0.00 O ATOM 1359 CB LYS A 82 -1.937 3.631 -9.376 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.523 5.123 -9.401 1.00 0.00 C ATOM 1361 CD LYS A 82 -1.857 5.861 -10.700 1.00 0.00 C ATOM 1362 CE LYS A 82 -3.309 6.354 -10.645 1.00 0.00 C ATOM 1363 NZ LYS A 82 -3.793 6.609 -12.013 1.00 0.00 N ATOM 0 H LYS A 82 -3.411 1.570 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.848 2.960 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.281 3.069 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.949 3.536 -9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.013 5.635 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.449 5.190 -9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.180 6.704 -10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.718 5.198 -11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.939 5.610 -10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.373 7.265 -10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.327 7.501 -12.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.982 6.677 -12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.411 5.829 -12.314 1.00 0.00 H new ATOM 1377 N VAL A 83 -1.940 4.561 -6.127 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.564 5.296 -5.030 1.00 0.00 C ATOM 1379 C VAL A 83 -2.551 6.784 -5.300 1.00 0.00 C ATOM 1380 O VAL A 83 -1.510 7.454 -5.323 1.00 0.00 O ATOM 1381 CB VAL A 83 -1.831 4.953 -3.672 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.283 5.085 -3.667 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.315 5.796 -2.467 1.00 0.00 C ATOM 0 H VAL A 83 -0.927 4.665 -6.182 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.607 4.990 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.104 3.902 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.101 4.823 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.142 4.413 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.005 6.112 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.765 5.502 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.141 6.853 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.380 5.627 -2.309 1.00 0.00 H new ATOM 1393 N SER A 84 -3.738 7.336 -5.488 1.00 0.00 N ATOM 1394 CA SER A 84 -3.945 8.768 -5.678 1.00 0.00 C ATOM 1395 C SER A 84 -4.769 9.332 -4.544 1.00 0.00 C ATOM 1396 O SER A 84 -5.958 9.020 -4.386 1.00 0.00 O ATOM 1397 CB SER A 84 -4.588 9.057 -7.059 1.00 0.00 C ATOM 1398 OG SER A 84 -5.545 8.066 -7.448 1.00 0.00 O ATOM 0 H SER A 84 -4.602 6.795 -5.514 1.00 0.00 H new ATOM 0 HA SER A 84 -2.976 9.267 -5.666 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.074 10.032 -7.031 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.804 9.113 -7.814 1.00 0.00 H new ATOM 0 HG SER A 84 -5.919 8.299 -8.323 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.144 10.149 -3.717 1.00 0.00 N ATOM 1405 CA ILE A 85 -4.798 10.646 -2.503 1.00 0.00 C ATOM 1406 C ILE A 85 -4.908 12.153 -2.561 1.00 0.00 C ATOM 1407 O ILE A 85 -3.887 12.863 -2.703 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.073 10.101 -1.206 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.383 8.702 -1.384 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.021 10.038 0.033 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -1.864 8.662 -1.121 1.00 0.00 C ATOM 0 H ILE A 85 -3.191 10.485 -3.855 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.817 10.262 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.288 10.837 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.867 7.992 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.565 8.355 -2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.471 9.657 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.396 11.037 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.859 9.376 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.495 7.648 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.358 9.340 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.664 8.970 -0.095 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.102 12.697 -2.450 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.364 14.103 -2.749 1.00 0.00 C ATOM 1425 C TYR A 86 -6.757 14.875 -1.514 1.00 0.00 C ATOM 1426 O TYR A 86 -6.829 14.341 -0.398 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.519 14.215 -3.795 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.399 13.318 -5.035 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -7.125 11.953 -4.914 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -7.579 13.876 -6.303 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -7.040 11.155 -6.052 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -7.495 13.076 -7.439 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.225 11.716 -7.312 1.00 0.00 C ATOM 1434 OH TYR A 86 -7.137 10.931 -8.427 1.00 0.00 O ATOM 0 H TYR A 86 -6.928 12.179 -2.149 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.442 14.528 -3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.459 13.983 -3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.582 15.251 -4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.979 11.517 -3.937 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -7.784 14.932 -6.402 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.830 10.100 -5.957 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.639 13.510 -8.418 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.293 11.478 -9.225 1.00 0.00 H new ATOM 1444 N ASP A 87 -7.013 16.159 -1.693 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.349 17.055 -0.590 1.00 0.00 C ATOM 1446 C ASP A 87 -8.845 17.238 -0.482 1.00 0.00 C ATOM 1447 O ASP A 87 -9.644 16.539 -1.128 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.599 18.405 -0.753 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.492 18.971 -2.177 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -7.402 19.576 -2.724 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -5.269 18.747 -2.745 1.00 0.00 O ATOM 0 H ASP A 87 -6.995 16.614 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.020 16.607 0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.097 19.147 -0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.590 18.283 -0.360 1.00 0.00 H new ATOM 1456 N THR A 88 -9.266 18.163 0.362 1.00 0.00 N ATOM 1457 CA THR A 88 -10.686 18.465 0.526 1.00 0.00 C ATOM 1458 C THR A 88 -11.336 18.872 -0.777 1.00 0.00 C ATOM 1459 O THR A 88 -12.566 18.711 -0.949 1.00 0.00 O ATOM 1460 CB THR A 88 -10.886 19.581 1.608 1.00 0.00 C ATOM 1461 OG1 THR A 88 -10.912 20.866 1.001 1.00 0.00 O ATOM 1462 CG2 THR A 88 -9.791 19.687 2.691 1.00 0.00 C ATOM 0 H THR A 88 -8.646 18.722 0.948 1.00 0.00 H new ATOM 0 HA THR A 88 -11.175 17.550 0.861 1.00 0.00 H new ATOM 0 HB THR A 88 -11.821 19.283 2.083 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.039 21.551 1.690 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.039 20.493 3.381 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.729 18.747 3.239 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.831 19.896 2.219 1.00 0.00 H new ATOM 1470 N LYS A 89 -10.579 19.382 -1.729 1.00 0.00 N ATOM 1471 CA LYS A 89 -11.152 19.934 -2.959 1.00 0.00 C ATOM 1472 C LYS A 89 -10.804 19.103 -4.173 1.00 0.00 C ATOM 1473 O LYS A 89 -10.709 19.621 -5.303 1.00 0.00 O ATOM 1474 CB LYS A 89 -10.660 21.398 -3.136 1.00 0.00 C ATOM 1475 CG LYS A 89 -10.907 22.284 -1.889 1.00 0.00 C ATOM 1476 CD LYS A 89 -10.493 23.749 -2.047 1.00 0.00 C ATOM 1477 CE LYS A 89 -9.017 23.901 -1.657 1.00 0.00 C ATOM 1478 NZ LYS A 89 -8.168 23.366 -2.736 1.00 0.00 N ATOM 0 H LYS A 89 -9.561 19.429 -1.682 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.238 19.916 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.594 21.391 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.165 21.842 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.967 22.246 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.365 21.857 -1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.645 24.073 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.115 24.385 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.782 24.951 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.819 23.370 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.368 24.010 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.808 22.430 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.728 23.280 -3.608 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.626 17.808 -3.996 1.00 0.00 N ATOM 1493 CA GLY A 90 -10.431 16.887 -5.111 1.00 0.00 C ATOM 1494 C GLY A 90 -9.122 17.097 -5.831 1.00 0.00 C ATOM 1495 O GLY A 90 -8.953 16.658 -6.989 1.00 0.00 O ATOM 0 H GLY A 90 -10.612 17.361 -3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.474 15.863 -4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.251 17.005 -5.819 1.00 0.00 H new ATOM 1499 N LYS A 91 -8.173 17.773 -5.213 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.895 18.073 -5.856 1.00 0.00 C ATOM 1501 C LYS A 91 -5.878 16.988 -5.597 1.00 0.00 C ATOM 1502 O LYS A 91 -5.542 16.672 -4.443 1.00 0.00 O ATOM 1503 CB LYS A 91 -6.369 19.446 -5.347 1.00 0.00 C ATOM 1504 CG LYS A 91 -6.415 20.556 -6.427 1.00 0.00 C ATOM 1505 CD LYS A 91 -5.391 21.681 -6.248 1.00 0.00 C ATOM 1506 CE LYS A 91 -4.054 21.253 -6.868 1.00 0.00 C ATOM 1507 NZ LYS A 91 -3.102 20.919 -5.794 1.00 0.00 N ATOM 0 H LYS A 91 -8.258 18.129 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.053 18.121 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.962 19.759 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.343 19.328 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.260 20.097 -7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.414 20.993 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.750 22.594 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.259 21.903 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.202 20.392 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.654 22.056 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.450 20.179 -6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.560 21.768 -5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.623 20.574 -4.963 1.00 0.00 H new ATOM 1521 N ASN A 92 -5.340 16.410 -6.655 1.00 0.00 N ATOM 1522 CA ASN A 92 -4.244 15.452 -6.528 1.00 0.00 C ATOM 1523 C ASN A 92 -3.099 16.050 -5.745 1.00 0.00 C ATOM 1524 O ASN A 92 -2.287 16.830 -6.271 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.768 15.016 -7.945 1.00 0.00 C ATOM 1526 CG ASN A 92 -4.298 13.693 -8.504 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -5.349 13.620 -9.124 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -3.588 12.610 -8.336 1.00 0.00 N ATOM 0 H ASN A 92 -5.640 16.584 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.600 14.577 -5.985 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.037 15.806 -8.646 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.680 14.960 -7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.913 11.722 -8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.708 12.652 -7.821 1.00 0.00 H new ATOM 1535 N VAL A 93 -3.018 15.717 -4.467 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.956 16.245 -3.610 1.00 0.00 C ATOM 1537 C VAL A 93 -0.653 15.514 -3.869 1.00 0.00 C ATOM 1538 O VAL A 93 0.414 16.094 -4.105 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.355 16.138 -2.085 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -2.223 17.442 -1.249 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -3.800 15.642 -1.831 1.00 0.00 C ATOM 0 H VAL A 93 -3.669 15.087 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.818 17.299 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.614 15.409 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.524 17.246 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.187 17.782 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.865 18.213 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.987 15.599 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.507 16.329 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.924 14.648 -2.261 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.755 14.191 -3.844 1.00 0.00 N ATOM 1552 CA LEU A 94 0.368 13.316 -4.160 1.00 0.00 C ATOM 1553 C LEU A 94 -0.114 11.995 -4.714 1.00 0.00 C ATOM 1554 O LEU A 94 -1.173 11.470 -4.338 1.00 0.00 O ATOM 1555 CB LEU A 94 1.263 13.103 -2.905 1.00 0.00 C ATOM 1556 CG LEU A 94 2.135 11.821 -2.837 1.00 0.00 C ATOM 1557 CD1 LEU A 94 3.603 12.194 -2.585 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.659 10.835 -1.757 1.00 0.00 C ATOM 0 H LEU A 94 -1.614 13.696 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 94 0.971 13.798 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.927 13.963 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.615 13.112 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 94 2.036 11.320 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.206 11.287 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.962 12.828 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.685 12.732 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.306 9.957 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.699 11.318 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.634 10.530 -1.969 1.00 0.00 H new ATOM 1570 N GLU A 95 0.653 11.446 -5.639 1.00 0.00 N ATOM 1571 CA GLU A 95 0.309 10.186 -6.291 1.00 0.00 C ATOM 1572 C GLU A 95 1.472 9.222 -6.254 1.00 0.00 C ATOM 1573 O GLU A 95 2.646 9.614 -6.192 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.124 10.489 -7.753 1.00 0.00 C ATOM 1575 CG GLU A 95 0.957 10.324 -8.872 1.00 0.00 C ATOM 1576 CD GLU A 95 1.861 11.517 -9.192 1.00 0.00 C ATOM 1577 OE1 GLU A 95 2.841 11.810 -8.520 1.00 0.00 O ATOM 1578 OE2 GLU A 95 1.473 12.219 -10.293 1.00 0.00 O ATOM 0 H GLU A 95 1.530 11.856 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.515 9.710 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.964 9.839 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.493 11.514 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.598 9.487 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.443 10.041 -9.791 1.00 0.00 H new ATOM 1585 N LYS A 96 1.161 7.940 -6.295 1.00 0.00 N ATOM 1586 CA LYS A 96 2.177 6.894 -6.370 1.00 0.00 C ATOM 1587 C LYS A 96 1.682 5.719 -7.181 1.00 0.00 C ATOM 1588 O LYS A 96 0.479 5.577 -7.455 1.00 0.00 O ATOM 1589 CB LYS A 96 2.570 6.452 -4.933 1.00 0.00 C ATOM 1590 CG LYS A 96 3.515 7.445 -4.212 1.00 0.00 C ATOM 1591 CD LYS A 96 4.927 7.534 -4.798 1.00 0.00 C ATOM 1592 CE LYS A 96 5.916 6.863 -3.835 1.00 0.00 C ATOM 1593 NZ LYS A 96 7.048 6.312 -4.600 1.00 0.00 N ATOM 0 H LYS A 96 0.203 7.590 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 96 3.059 7.290 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.664 6.330 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.052 5.476 -4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.064 8.437 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.590 7.156 -3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.961 7.046 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.204 8.577 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.275 7.586 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.417 6.069 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.719 5.857 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.697 5.609 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.528 7.080 -5.111 1.00 0.00 H new ATOM 1607 N ILE A 97 2.597 4.867 -7.601 1.00 0.00 N ATOM 1608 CA ILE A 97 2.259 3.706 -8.423 1.00 0.00 C ATOM 1609 C ILE A 97 2.789 2.435 -7.804 1.00 0.00 C ATOM 1610 O ILE A 97 3.927 2.373 -7.313 1.00 0.00 O ATOM 1611 CB ILE A 97 2.756 3.894 -9.914 1.00 0.00 C ATOM 1612 CG1 ILE A 97 3.074 5.372 -10.311 1.00 0.00 C ATOM 1613 CG2 ILE A 97 1.758 3.314 -10.963 1.00 0.00 C ATOM 1614 CD1 ILE A 97 4.061 5.558 -11.482 1.00 0.00 C ATOM 0 H ILE A 97 3.591 4.953 -7.388 1.00 0.00 H new ATOM 0 HA ILE A 97 1.173 3.620 -8.460 1.00 0.00 H new ATOM 0 HB ILE A 97 3.688 3.329 -9.933 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.138 5.868 -10.568 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.477 5.884 -9.437 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.152 3.472 -11.967 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.627 2.246 -10.789 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.796 3.818 -10.868 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.207 6.622 -11.669 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.017 5.100 -11.228 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.658 5.084 -12.377 1.00 0.00 H new ATOM 1626 N PHE A 98 1.986 1.389 -7.840 1.00 0.00 N ATOM 1627 CA PHE A 98 2.304 0.146 -7.142 1.00 0.00 C ATOM 1628 C PHE A 98 2.069 -1.062 -8.016 1.00 0.00 C ATOM 1629 O PHE A 98 1.540 -0.975 -9.133 1.00 0.00 O ATOM 1630 CB PHE A 98 1.413 0.030 -5.863 1.00 0.00 C ATOM 1631 CG PHE A 98 1.698 1.056 -4.755 1.00 0.00 C ATOM 1632 CD1 PHE A 98 2.870 1.816 -4.807 1.00 0.00 C ATOM 1633 CD2 PHE A 98 0.773 1.289 -3.736 1.00 0.00 C ATOM 1634 CE1 PHE A 98 3.135 2.770 -3.831 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.031 2.255 -2.766 1.00 0.00 C ATOM 1636 CZ PHE A 98 2.218 2.983 -2.804 1.00 0.00 C ATOM 0 H PHE A 98 1.101 1.370 -8.347 1.00 0.00 H new ATOM 0 HA PHE A 98 3.360 0.172 -6.875 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.369 0.125 -6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.536 -0.970 -5.447 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.574 1.661 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.144 0.720 -3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.049 3.344 -3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.310 2.440 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.428 3.713 -2.037 1.00 0.00 H new ATOM 1646 N ASP A 99 2.482 -2.222 -7.529 1.00 0.00 N ATOM 1647 CA ASP A 99 2.212 -3.478 -8.228 1.00 0.00 C ATOM 1648 C ASP A 99 2.286 -4.664 -7.296 1.00 0.00 C ATOM 1649 O ASP A 99 3.367 -5.046 -6.816 1.00 0.00 O ATOM 1650 CB ASP A 99 3.176 -3.640 -9.433 1.00 0.00 C ATOM 1651 CG ASP A 99 4.619 -3.155 -9.232 1.00 0.00 C ATOM 1652 OD1 ASP A 99 5.152 -3.085 -8.134 1.00 0.00 O ATOM 1653 OD2 ASP A 99 5.242 -2.839 -10.407 1.00 0.00 O ATOM 0 H ASP A 99 3.003 -2.324 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 99 1.191 -3.441 -8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.206 -4.695 -9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.752 -3.104 -10.282 1.00 0.00 H new ATOM 1658 N LEU A 100 1.154 -5.292 -7.039 1.00 0.00 N ATOM 1659 CA LEU A 100 1.126 -6.529 -6.258 1.00 0.00 C ATOM 1660 C LEU A 100 1.660 -7.689 -7.064 1.00 0.00 C ATOM 1661 O LEU A 100 1.398 -7.825 -8.270 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.315 -6.818 -5.752 1.00 0.00 C ATOM 1663 CG LEU A 100 -0.499 -7.426 -4.336 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -1.934 -7.949 -4.170 1.00 0.00 C ATOM 1665 CD2 LEU A 100 0.501 -8.555 -4.038 1.00 0.00 C ATOM 0 H LEU A 100 0.239 -4.972 -7.356 1.00 0.00 H new ATOM 0 HA LEU A 100 1.774 -6.402 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.871 -5.881 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.787 -7.493 -6.466 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.306 -6.626 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.053 -8.374 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.638 -7.127 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.130 -8.717 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.325 -8.942 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.371 -9.357 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.518 -8.167 -4.104 1.00 0.00 H new ATOM 1677 N LYS A 101 2.407 -8.563 -6.413 1.00 0.00 N ATOM 1678 CA LYS A 101 3.033 -9.698 -7.083 1.00 0.00 C ATOM 1679 C LYS A 101 2.756 -10.995 -6.350 1.00 0.00 C ATOM 1680 O LYS A 101 2.048 -11.063 -5.337 1.00 0.00 O ATOM 1681 CB LYS A 101 4.572 -9.483 -7.191 1.00 0.00 C ATOM 1682 CG LYS A 101 5.003 -8.663 -8.432 1.00 0.00 C ATOM 1683 CD LYS A 101 6.512 -8.416 -8.541 1.00 0.00 C ATOM 1684 CE LYS A 101 6.832 -7.805 -9.912 1.00 0.00 C ATOM 1685 NZ LYS A 101 5.750 -6.883 -10.302 1.00 0.00 N ATOM 0 H LYS A 101 2.598 -8.511 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 101 2.603 -9.767 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.923 -8.976 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.064 -10.455 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.668 -9.183 -9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.491 -7.701 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.840 -7.746 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.055 -9.352 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.782 -7.272 -9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.940 -8.593 -10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.071 -6.284 -11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.918 -7.431 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.496 -6.283 -9.491 1.00 0.00 H new ATOM 1699 N ILE A 102 3.349 -12.057 -6.863 1.00 0.00 N ATOM 1700 CA ILE A 102 3.375 -13.357 -6.201 1.00 0.00 C ATOM 1701 C ILE A 102 4.714 -14.027 -6.436 1.00 0.00 C ATOM 1702 O ILE A 102 5.285 -14.002 -7.534 1.00 0.00 O ATOM 1703 CB ILE A 102 2.179 -14.302 -6.622 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.771 -13.624 -6.584 1.00 0.00 C ATOM 1705 CG2 ILE A 102 2.109 -15.602 -5.760 1.00 0.00 C ATOM 1706 CD1 ILE A 102 0.109 -13.528 -5.193 1.00 0.00 C ATOM 0 H ILE A 102 3.833 -12.046 -7.761 1.00 0.00 H new ATOM 0 HA ILE A 102 3.242 -13.176 -5.134 1.00 0.00 H new ATOM 0 HB ILE A 102 2.412 -14.546 -7.658 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.862 -12.618 -6.992 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.104 -14.177 -7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.270 -16.214 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.036 -16.164 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.972 -15.337 -4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.862 -13.041 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.024 -14.529 -4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.745 -12.945 -4.527 1.00 0.00 H new ATOM 1718 N GLN A 103 5.202 -14.671 -5.391 1.00 0.00 N ATOM 1719 CA GLN A 103 6.556 -15.216 -5.385 1.00 0.00 C ATOM 1720 C GLN A 103 6.562 -16.671 -5.786 1.00 0.00 C ATOM 1721 O GLN A 103 5.632 -17.437 -5.488 1.00 0.00 O ATOM 1722 CB GLN A 103 7.161 -15.019 -3.976 1.00 0.00 C ATOM 1723 CG GLN A 103 8.218 -16.079 -3.525 1.00 0.00 C ATOM 1724 CD GLN A 103 7.758 -17.343 -2.789 1.00 0.00 C ATOM 1725 OE1 GLN A 103 7.785 -18.435 -3.335 1.00 0.00 O ATOM 1726 NE2 GLN A 103 7.353 -17.267 -1.547 1.00 0.00 N ATOM 0 H GLN A 103 4.681 -14.832 -4.529 1.00 0.00 H new ATOM 0 HA GLN A 103 7.164 -14.687 -6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.626 -14.034 -3.937 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.347 -15.016 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.759 -16.399 -4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.936 -15.570 -2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.324 -16.364 -1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.067 -18.111 -1.051 1.00 0.00 H new ATOM 1735 N GLU A 104 7.606 -17.081 -6.481 1.00 0.00 N ATOM 1736 CA GLU A 104 7.686 -18.428 -7.050 1.00 0.00 C ATOM 1737 C GLU A 104 9.118 -18.761 -7.421 1.00 0.00 C ATOM 1738 O GLU A 104 9.471 -19.173 -8.532 1.00 0.00 O ATOM 1739 CB GLU A 104 6.754 -18.493 -8.288 1.00 0.00 C ATOM 1740 CG GLU A 104 5.919 -19.792 -8.527 1.00 0.00 C ATOM 1741 CD GLU A 104 5.576 -20.178 -9.969 1.00 0.00 C ATOM 1742 OE1 GLU A 104 6.213 -19.776 -10.934 1.00 0.00 O ATOM 1743 OE2 GLU A 104 4.501 -21.007 -10.074 1.00 0.00 O ATOM 0 H GLU A 104 8.422 -16.499 -6.671 1.00 0.00 H new ATOM 0 HA GLU A 104 7.362 -19.166 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.056 -17.658 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.367 -18.326 -9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.463 -20.624 -8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.983 -19.692 -7.978 1.00 0.00 H new ATOM 1750 N ARG A 105 9.978 -18.590 -6.419 1.00 0.00 N ATOM 1751 CA ARG A 105 11.407 -18.842 -6.556 1.00 0.00 C ATOM 1752 C ARG A 105 11.721 -20.305 -6.351 1.00 0.00 C ATOM 1753 O ARG A 105 10.817 -21.197 -6.375 1.00 0.00 O ATOM 1754 CB ARG A 105 12.176 -17.951 -5.541 1.00 0.00 C ATOM 1755 CG ARG A 105 11.403 -16.694 -5.063 1.00 0.00 C ATOM 1756 CD ARG A 105 12.325 -15.636 -4.442 1.00 0.00 C ATOM 1757 NE ARG A 105 12.510 -15.963 -3.006 1.00 0.00 N ATOM 1758 CZ ARG A 105 12.628 -15.080 -2.023 1.00 0.00 C ATOM 1759 NH1 ARG A 105 12.655 -13.791 -2.194 1.00 0.00 N ATOM 1760 NH2 ARG A 105 12.721 -15.535 -0.824 1.00 0.00 N ATOM 1761 OXT ARG A 105 12.943 -20.590 -6.156 1.00 0.00 O ATOM 0 H ARG A 105 9.702 -18.273 -5.490 1.00 0.00 H new ATOM 0 HA ARG A 105 11.725 -18.587 -7.567 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.433 -18.555 -4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 105 13.114 -17.632 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.871 -16.256 -5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 105 10.651 -16.990 -4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.287 -15.622 -4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.891 -14.642 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 105 12.550 -16.950 -2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 105 12.583 -13.400 -3.133 1.00 0.00 H new ATOM 0 HH12 ARG A 105 12.748 -13.172 -1.389 1.00 0.00 H new ATOM 0 HH21 ARG A 105 12.703 -16.541 -0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 105 12.813 -14.890 -0.039 1.00 0.00 H new TER 1775 ARG A 105 HETATM 1776 C1 NAG A 106 -1.909 1.888 8.389 1.00 0.00 C HETATM 1777 C2 NAG A 106 -0.523 1.190 8.477 1.00 0.00 C HETATM 1778 C3 NAG A 106 -0.712 -0.354 8.562 1.00 0.00 C HETATM 1779 C4 NAG A 106 -1.699 -0.772 9.700 1.00 0.00 C HETATM 1780 C5 NAG A 106 -3.036 0.020 9.546 1.00 0.00 C HETATM 1781 C6 NAG A 106 -4.043 -0.202 10.689 1.00 0.00 C HETATM 1782 C7 NAG A 106 1.361 2.384 7.374 1.00 0.00 C HETATM 1783 C8 NAG A 106 2.159 2.549 6.081 1.00 0.00 C HETATM 1784 N2 NAG A 106 0.324 1.535 7.304 1.00 0.00 N HETATM 1785 O3 NAG A 106 0.560 -0.957 8.781 1.00 0.00 O HETATM 1786 O4 NAG A 106 -1.985 -2.203 9.675 1.00 0.00 O HETATM 1787 O5 NAG A 106 -2.755 1.448 9.487 1.00 0.00 O HETATM 1788 O6 NAG A 106 -4.782 0.983 10.951 1.00 0.00 O HETATM 1789 O7 NAG A 106 1.690 2.996 8.393 1.00 0.00 O HETATM 0 HO6 NAG A 106 -4.308 1.754 10.576 1.00 0.00 H new HETATM 0 HO3 NAG A 106 0.455 -1.930 8.838 1.00 0.00 H new HETATM 0 HN2 NAG A 106 0.107 1.106 6.404 1.00 0.00 H new HETATM 0 H83 NAG A 106 2.569 1.585 5.781 1.00 0.00 H new HETATM 0 H82 NAG A 106 1.504 2.925 5.295 1.00 0.00 H new HETATM 0 H81 NAG A 106 2.973 3.255 6.244 1.00 0.00 H new HETATM 0 H62 NAG A 106 -4.725 -1.010 10.426 1.00 0.00 H new HETATM 0 H61 NAG A 106 -3.514 -0.512 11.590 1.00 0.00 H new HETATM 0 H5 NAG A 106 -3.488 -0.357 8.629 1.00 0.00 H new HETATM 0 H4 NAG A 106 -1.224 -0.539 10.653 1.00 0.00 H new HETATM 0 H3 NAG A 106 -1.147 -0.695 7.623 1.00 0.00 H new HETATM 0 H2 NAG A 106 -0.018 1.543 9.376 1.00 0.00 H new HETATM 1803 C1 NAG A 107 -1.768 -2.956 10.902 1.00 0.00 C HETATM 1804 C2 NAG A 107 -2.770 -4.138 11.020 1.00 0.00 C HETATM 1805 C3 NAG A 107 -2.369 -5.024 12.241 1.00 0.00 C HETATM 1806 C4 NAG A 107 -0.887 -5.484 12.177 1.00 0.00 C HETATM 1807 C5 NAG A 107 0.050 -4.254 11.984 1.00 0.00 C HETATM 1808 C6 NAG A 107 1.525 -4.612 11.716 1.00 0.00 C HETATM 1809 C7 NAG A 107 -5.229 -4.295 10.684 1.00 0.00 C HETATM 1810 C8 NAG A 107 -6.587 -3.651 10.957 1.00 0.00 C HETATM 1811 N2 NAG A 107 -4.163 -3.636 11.166 1.00 0.00 N HETATM 1812 O3 NAG A 107 -3.194 -6.179 12.280 1.00 0.00 O HETATM 1813 O4 NAG A 107 -0.533 -6.190 13.406 1.00 0.00 O HETATM 1814 O5 NAG A 107 -0.411 -3.478 10.845 1.00 0.00 O HETATM 1815 O6 NAG A 107 2.397 -3.729 12.408 1.00 0.00 O HETATM 1816 O7 NAG A 107 -5.164 -5.355 10.058 1.00 0.00 O HETATM 0 HO6 NAG A 107 3.327 -3.977 12.224 1.00 0.00 H new HETATM 0 HO3 NAG A 107 -3.053 -6.653 13.126 1.00 0.00 H new HETATM 0 HN2 NAG A 107 -4.315 -2.753 11.653 1.00 0.00 H new HETATM 0 H83 NAG A 107 -6.741 -3.569 12.033 1.00 0.00 H new HETATM 0 H82 NAG A 107 -6.615 -2.658 10.509 1.00 0.00 H new HETATM 0 H81 NAG A 107 -7.375 -4.267 10.524 1.00 0.00 H new HETATM 0 H62 NAG A 107 1.717 -5.638 12.030 1.00 0.00 H new HETATM 0 H61 NAG A 107 1.726 -4.563 10.646 1.00 0.00 H new HETATM 0 H5 NAG A 107 0.007 -3.704 12.924 1.00 0.00 H new HETATM 0 H4 NAG A 107 -0.763 -6.157 11.329 1.00 0.00 H new HETATM 0 H3 NAG A 107 -2.500 -4.415 13.135 1.00 0.00 H new HETATM 0 H2 NAG A 107 -2.731 -4.738 10.111 1.00 0.00 H new HETATM 1830 C1 BMA A 108 -0.499 -7.641 13.327 1.00 0.00 C HETATM 1831 C2 BMA A 108 0.964 -8.157 13.365 1.00 0.00 C HETATM 1832 C3 BMA A 108 0.959 -9.713 13.367 1.00 0.00 C HETATM 1833 C4 BMA A 108 0.089 -10.285 14.519 1.00 0.00 C HETATM 1834 C5 BMA A 108 -1.343 -9.667 14.480 1.00 0.00 C HETATM 1835 C6 BMA A 108 -2.208 -10.060 15.694 1.00 0.00 C HETATM 1836 O2 BMA A 108 1.635 -7.657 14.518 1.00 0.00 O HETATM 1837 O3 BMA A 108 2.315 -10.244 13.466 1.00 0.00 O HETATM 1838 O4 BMA A 108 0.012 -11.701 14.393 1.00 0.00 O HETATM 1839 O5 BMA A 108 -1.259 -8.209 14.434 1.00 0.00 O HETATM 1840 O6 BMA A 108 -3.511 -9.446 15.574 1.00 0.00 O HETATM 0 HO4 BMA A 108 0.827 -12.036 13.965 1.00 0.00 H new HETATM 0 HO2 BMA A 108 1.197 -6.834 14.820 1.00 0.00 H new HETATM 0 H62 BMA A 108 -2.308 -11.144 15.747 1.00 0.00 H new HETATM 0 H61 BMA A 108 -1.726 -9.739 16.617 1.00 0.00 H new HETATM 0 H5 BMA A 108 -1.818 -10.065 13.584 1.00 0.00 H new HETATM 0 H4 BMA A 108 0.548 -10.028 15.474 1.00 0.00 H new HETATM 0 H3 BMA A 108 0.523 -10.027 12.419 1.00 0.00 H new HETATM 0 H2 BMA A 108 1.497 -7.802 12.483 1.00 0.00 H new HETATM 1850 C1 MAN A 109 3.101 -10.233 12.231 1.00 0.00 C HETATM 1851 C2 MAN A 109 4.322 -11.183 12.347 1.00 0.00 C HETATM 1852 C3 MAN A 109 5.406 -10.583 13.285 1.00 0.00 C HETATM 1853 C4 MAN A 109 5.772 -9.120 12.924 1.00 0.00 C HETATM 1854 C5 MAN A 109 4.488 -8.244 12.820 1.00 0.00 C HETATM 1855 C6 MAN A 109 4.740 -6.815 12.302 1.00 0.00 C HETATM 1856 O2 MAN A 109 4.881 -11.383 11.017 1.00 0.00 O HETATM 1857 O3 MAN A 109 6.576 -11.394 13.246 1.00 0.00 O HETATM 1858 O4 MAN A 109 6.650 -8.603 13.920 1.00 0.00 O HETATM 1859 O5 MAN A 109 3.535 -8.876 11.911 1.00 0.00 O HETATM 1860 O6 MAN A 109 6.123 -6.485 12.340 1.00 0.00 O HETATM 0 HO6 MAN A 109 6.251 -5.573 12.004 1.00 0.00 H new HETATM 0 HO4 MAN A 109 6.798 -7.647 13.762 1.00 0.00 H new HETATM 0 HO3 MAN A 109 6.637 -11.839 12.375 1.00 0.00 H new HETATM 0 H62 MAN A 109 4.371 -6.727 11.280 1.00 0.00 H new HETATM 0 H61 MAN A 109 4.178 -6.103 12.906 1.00 0.00 H new HETATM 0 H5 MAN A 109 4.105 -8.167 13.838 1.00 0.00 H new HETATM 0 H4 MAN A 109 6.270 -9.100 11.954 1.00 0.00 H new HETATM 0 H3 MAN A 109 4.987 -10.569 14.291 1.00 0.00 H new HETATM 0 H2 MAN A 109 3.997 -12.133 12.771 1.00 0.00 H new HETATM 1871 C1 MAN A 110 4.538 -12.614 10.324 1.00 0.00 C HETATM 1872 C2 MAN A 110 5.815 -13.280 9.751 1.00 0.00 C HETATM 1873 C3 MAN A 110 6.361 -12.496 8.530 1.00 0.00 C HETATM 1874 C4 MAN A 110 5.270 -12.230 7.461 1.00 0.00 C HETATM 1875 C5 MAN A 110 4.013 -11.572 8.108 1.00 0.00 C HETATM 1876 C6 MAN A 110 2.815 -11.451 7.146 1.00 0.00 C HETATM 1877 O2 MAN A 110 5.501 -14.617 9.370 1.00 0.00 O HETATM 1878 O3 MAN A 110 7.447 -13.209 7.948 1.00 0.00 O HETATM 1879 O4 MAN A 110 5.811 -11.389 6.447 1.00 0.00 O HETATM 1880 O5 MAN A 110 3.570 -12.358 9.258 1.00 0.00 O HETATM 1881 O6 MAN A 110 1.578 -11.580 7.835 1.00 0.00 O HETATM 0 HO6 MAN A 110 1.740 -11.933 8.735 1.00 0.00 H new HETATM 0 HO4 MAN A 110 5.128 -11.217 5.766 1.00 0.00 H new HETATM 0 HO3 MAN A 110 7.511 -12.987 6.996 1.00 0.00 H new HETATM 0 HO2 MAN A 110 6.017 -14.860 8.573 1.00 0.00 H new HETATM 0 H62 MAN A 110 2.851 -10.487 6.638 1.00 0.00 H new HETATM 0 H61 MAN A 110 2.886 -12.220 6.377 1.00 0.00 H new HETATM 0 H5 MAN A 110 4.325 -10.568 8.395 1.00 0.00 H new HETATM 0 H4 MAN A 110 4.958 -13.176 7.019 1.00 0.00 H new HETATM 0 H3 MAN A 110 6.701 -11.526 8.891 1.00 0.00 H new HETATM 0 H2 MAN A 110 6.590 -13.277 10.518 1.00 0.00 H new HETATM 1893 C1 MAN A 111 -4.374 -9.495 16.738 1.00 0.00 C HETATM 1894 C2 MAN A 111 -5.576 -8.532 16.541 1.00 0.00 C HETATM 1895 C3 MAN A 111 -5.129 -7.046 16.631 1.00 0.00 C HETATM 1896 C4 MAN A 111 -4.295 -6.756 17.911 1.00 0.00 C HETATM 1897 C5 MAN A 111 -3.125 -7.776 18.032 1.00 0.00 C HETATM 1898 C6 MAN A 111 -2.277 -7.634 19.306 1.00 0.00 C HETATM 1899 O2 MAN A 111 -6.557 -8.807 17.537 1.00 0.00 O HETATM 1900 O3 MAN A 111 -6.300 -6.185 16.611 1.00 0.00 O HETATM 1901 O4 MAN A 111 -3.792 -5.425 17.850 1.00 0.00 O HETATM 1902 O5 MAN A 111 -3.643 -9.137 17.954 1.00 0.00 O HETATM 1903 O6 MAN A 111 -2.759 -8.512 20.342 1.00 0.00 O HETATM 0 HO4 MAN A 111 -3.702 -5.067 18.758 1.00 0.00 H new HETATM 0 HO2 MAN A 111 -7.072 -7.994 17.722 1.00 0.00 H new HETATM 0 H62 MAN A 111 -1.235 -7.865 19.083 1.00 0.00 H new HETATM 0 H61 MAN A 111 -2.307 -6.602 19.655 1.00 0.00 H new HETATM 0 H5 MAN A 111 -2.461 -7.554 17.197 1.00 0.00 H new HETATM 0 H4 MAN A 111 -4.930 -6.860 18.791 1.00 0.00 H new HETATM 0 H3 MAN A 111 -4.491 -6.843 15.771 1.00 0.00 H new HETATM 0 H2 MAN A 111 -5.995 -8.692 15.548 1.00 0.00 H new HETATM 1913 C1 MAN A 112 -6.958 -5.977 15.334 1.00 0.00 C HETATM 1914 C2 MAN A 112 -7.316 -4.481 15.156 1.00 0.00 C HETATM 1915 C3 MAN A 112 -8.492 -4.074 16.082 1.00 0.00 C HETATM 1916 C4 MAN A 112 -9.709 -5.029 15.962 1.00 0.00 C HETATM 1917 C5 MAN A 112 -9.264 -6.513 16.128 1.00 0.00 C HETATM 1918 C6 MAN A 112 -10.382 -7.533 15.841 1.00 0.00 C HETATM 1919 O2 MAN A 112 -7.662 -4.252 13.792 1.00 0.00 O HETATM 1920 O3 MAN A 112 -8.896 -2.740 15.791 1.00 0.00 O HETATM 1921 O4 MAN A 112 -10.668 -4.683 16.957 1.00 0.00 O HETATM 1922 O5 MAN A 112 -8.158 -6.806 15.218 1.00 0.00 O HETATM 1923 O6 MAN A 112 -11.293 -7.041 14.866 1.00 0.00 O HETATM 0 HO6 MAN A 112 -11.990 -7.710 14.703 1.00 0.00 H new HETATM 0 HO4 MAN A 112 -11.458 -5.256 16.864 1.00 0.00 H new HETATM 0 HO3 MAN A 112 -9.640 -2.488 16.377 1.00 0.00 H new HETATM 0 HO2 MAN A 112 -8.382 -3.589 13.744 1.00 0.00 H new HETATM 0 H62 MAN A 112 -9.943 -8.468 15.493 1.00 0.00 H new HETATM 0 H61 MAN A 112 -10.919 -7.757 16.763 1.00 0.00 H new HETATM 0 H5 MAN A 112 -8.973 -6.616 17.173 1.00 0.00 H new HETATM 0 H4 MAN A 112 -10.154 -4.924 14.973 1.00 0.00 H new HETATM 0 H3 MAN A 112 -8.130 -4.143 17.108 1.00 0.00 H new HETATM 0 H2 MAN A 112 -6.454 -3.873 15.430 1.00 0.00 H new HETATM 1935 C1 MAN A 113 -3.879 -8.014 21.121 1.00 0.00 C HETATM 1936 C2 MAN A 113 -3.520 -8.063 22.630 1.00 0.00 C HETATM 1937 C3 MAN A 113 -3.474 -9.537 23.127 1.00 0.00 C HETATM 1938 C4 MAN A 113 -4.734 -10.354 22.738 1.00 0.00 C HETATM 1939 C5 MAN A 113 -5.032 -10.217 21.215 1.00 0.00 C HETATM 1940 C6 MAN A 113 -6.363 -10.853 20.772 1.00 0.00 C HETATM 1941 O2 MAN A 113 -4.492 -7.298 23.390 1.00 0.00 O HETATM 1942 O3 MAN A 113 -3.297 -9.566 24.539 1.00 0.00 O HETATM 1943 O4 MAN A 113 -4.520 -11.720 23.082 1.00 0.00 O HETATM 1944 O5 MAN A 113 -5.076 -8.803 20.848 1.00 0.00 O HETATM 1945 O6 MAN A 113 -6.547 -12.135 21.362 1.00 0.00 O HETATM 0 HO6 MAN A 113 -7.401 -12.513 21.064 1.00 0.00 H new HETATM 0 HO4 MAN A 113 -5.166 -12.282 22.606 1.00 0.00 H new HETATM 0 HO3 MAN A 113 -3.625 -8.728 24.927 1.00 0.00 H new HETATM 0 H62 MAN A 113 -7.190 -10.200 21.050 1.00 0.00 H new HETATM 0 H61 MAN A 113 -6.381 -10.945 19.686 1.00 0.00 H new HETATM 0 H5 MAN A 113 -4.226 -10.752 20.712 1.00 0.00 H new HETATM 0 H4 MAN A 113 -5.597 -9.969 23.281 1.00 0.00 H new HETATM 0 H3 MAN A 113 -2.627 -10.009 22.629 1.00 0.00 H new HETATM 0 H2 MAN A 113 -2.534 -7.623 22.777 1.00 0.00 H new HETATM 1956 C1 MAN A 114 -5.756 -6.841 22.849 1.00 0.00 C HETATM 1957 C2 MAN A 114 -6.283 -5.638 23.678 1.00 0.00 C HETATM 1958 C3 MAN A 114 -6.803 -6.101 25.063 1.00 0.00 C HETATM 1959 C4 MAN A 114 -7.828 -7.260 24.956 1.00 0.00 C HETATM 1960 C5 MAN A 114 -7.249 -8.424 24.097 1.00 0.00 C HETATM 1961 C6 MAN A 114 -8.270 -9.533 23.779 1.00 0.00 C HETATM 1962 O2 MAN A 114 -7.330 -5.002 22.950 1.00 0.00 O HETATM 1963 O3 MAN A 114 -7.386 -4.999 25.751 1.00 0.00 O HETATM 1964 O4 MAN A 114 -8.148 -7.719 26.266 1.00 0.00 O HETATM 1965 O5 MAN A 114 -6.757 -7.909 22.820 1.00 0.00 O HETATM 1966 O6 MAN A 114 -8.252 -10.556 24.767 1.00 0.00 O HETATM 0 HO6 MAN A 114 -8.912 -11.244 24.538 1.00 0.00 H new HETATM 0 HO4 MAN A 114 -8.797 -8.451 26.207 1.00 0.00 H new HETATM 0 HO3 MAN A 114 -7.715 -5.296 26.625 1.00 0.00 H new HETATM 0 HO2 MAN A 114 -7.954 -4.580 23.576 1.00 0.00 H new HETATM 0 H62 MAN A 114 -9.269 -9.102 23.718 1.00 0.00 H new HETATM 0 H61 MAN A 114 -8.048 -9.964 22.803 1.00 0.00 H new HETATM 0 H5 MAN A 114 -6.452 -8.857 24.701 1.00 0.00 H new HETATM 0 H4 MAN A 114 -8.733 -6.900 24.466 1.00 0.00 H new HETATM 0 H3 MAN A 114 -5.947 -6.480 25.621 1.00 0.00 H new HETATM 0 H2 MAN A 114 -5.466 -4.937 23.847 1.00 0.00 H new