USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1021 hydrogens (0 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 Set 1.1: A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 56:sc= 1.31 USER MOD Set 2.1: A 60 ASN : amide:sc= 0.869 K(o=0.72,f=-11!) USER MOD Set 2.2: A 81 LYS NZ :NH3+ -116:sc= -0.151 (180deg=-3.04!) USER MOD Set 3.1: A 33 GLN : amide:sc= -1.55 K(o=-1.5,f=-2.6) USER MOD Set 3.2: A 37 GLN :FLIP amide:sc= 0.00281 F(o=-3.3,f=-1.5) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 32:sc= 0.0239 USER MOD Single : A 12 LYS NZ :NH3+ -118:sc= -0.951 (180deg=-2.89!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= -0.499 (180deg=-1.38!) USER MOD Single : A 18 THR OG1 : rot 1:sc= 0.837 USER MOD Single : A 21 THR OG1 : rot 110:sc= -0.206 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 63:sc= 0.504 USER MOD Single : A 31 THR OG1 : rot -128:sc= 0.549 USER MOD Single : A 32 THR OG1 : rot -140:sc= -0.0965 USER MOD Single : A 40 THR OG1 : rot -57:sc= -0.249 USER MOD Single : A 41 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.16) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 142:sc= 0.287 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -9.12! C(o=-9.1!,f=-13!) USER MOD Single : A 56 MET CE :methyl 140:sc= -0.0165 (180deg=-0.565) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 4:sc= 0.579 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -9.06! C(o=-11!,f=-9.1!) USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 0.0112 (180deg=0.00811) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.79) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -3.47! USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00407 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.393 X(o=0.39,f=0) USER MOD Single : A 102 THR OG1 : rot 86:sc= -0.312 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.656 USER MOD Single : A 106 MET CE :methyl 154:sc= -0.334 (180deg=-2.03!) USER MOD Single : A 119 THR OG1 : rot 80:sc= 0.954 USER MOD Single : A 121 GLN : amide:sc= -0.069 K(o=-0.069,f=-0.65) USER MOD Single : A 124 GLN : amide:sc= -3.72! C(o=-3.7!,f=-3.6!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.156) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot -100:sc= -0.999 USER MOD Single : A 137 TYR OH : rot 60:sc= -0.0924 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 19.940 -0.190 5.759 1.00 0.00 N ATOM 67 CA ILE A 8 18.849 -1.115 6.040 1.00 0.00 C ATOM 68 C ILE A 8 18.325 -1.752 4.757 1.00 0.00 C ATOM 69 O ILE A 8 18.164 -1.095 3.729 1.00 0.00 O ATOM 70 CB ILE A 8 17.685 -0.410 6.761 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.843 -0.540 8.278 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.353 -0.990 6.310 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.540 -0.404 9.035 1.00 0.00 C ATOM 0 HA ILE A 8 19.253 -1.891 6.691 1.00 0.00 H new ATOM 0 HB ILE A 8 17.704 0.649 6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.288 -1.508 8.507 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.539 0.222 8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.540 -0.481 6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.241 -0.851 5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.322 -2.054 6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.728 -0.507 10.104 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.104 0.575 8.836 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.848 -1.182 8.712 1.00 0.00 H new ATOM 85 N PRO A 9 18.051 -3.064 4.818 1.00 0.00 N ATOM 86 CA PRO A 9 17.539 -3.819 3.671 1.00 0.00 C ATOM 87 C PRO A 9 16.046 -3.602 3.454 1.00 0.00 C ATOM 88 O PRO A 9 15.302 -3.334 4.398 1.00 0.00 O ATOM 89 CB PRO A 9 17.818 -5.276 4.052 1.00 0.00 C ATOM 90 CG PRO A 9 17.813 -5.285 5.542 1.00 0.00 C ATOM 91 CD PRO A 9 18.219 -3.910 6.011 1.00 0.00 C ATOM 0 HA PRO A 9 18.009 -3.511 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.056 -5.943 3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.777 -5.612 3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.823 -5.541 5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.503 -6.038 5.922 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.592 -3.568 6.835 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.249 -3.898 6.368 1.00 0.00 H new ATOM 99 N THR A 10 15.611 -3.720 2.203 1.00 0.00 N ATOM 100 CA THR A 10 14.206 -3.535 1.861 1.00 0.00 C ATOM 101 C THR A 10 13.780 -4.489 0.751 1.00 0.00 C ATOM 102 O THR A 10 14.591 -5.262 0.239 1.00 0.00 O ATOM 103 CB THR A 10 13.921 -2.088 1.418 1.00 0.00 C ATOM 104 OG1 THR A 10 14.714 -1.762 0.271 1.00 0.00 O ATOM 105 CG2 THR A 10 14.219 -1.109 2.542 1.00 0.00 C ATOM 0 H THR A 10 16.212 -3.943 1.410 1.00 0.00 H new ATOM 0 HA THR A 10 13.631 -3.750 2.761 1.00 0.00 H new ATOM 0 HB THR A 10 12.864 -2.011 1.162 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.526 -0.841 -0.006 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.010 -0.094 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.592 -1.342 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.269 -1.189 2.825 1.00 0.00 H new ATOM 113 N CYS A 11 12.506 -4.428 0.382 1.00 0.00 N ATOM 114 CA CYS A 11 11.972 -5.287 -0.670 1.00 0.00 C ATOM 115 C CYS A 11 10.748 -4.653 -1.321 1.00 0.00 C ATOM 116 O CYS A 11 10.350 -3.541 -0.971 1.00 0.00 O ATOM 117 CB CYS A 11 11.610 -6.660 -0.101 1.00 0.00 C ATOM 118 SG CYS A 11 12.954 -7.867 -0.172 1.00 0.00 S ATOM 0 H CYS A 11 11.823 -3.793 0.795 1.00 0.00 H new ATOM 0 HA CYS A 11 12.742 -5.409 -1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.298 -6.540 0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.753 -7.054 -0.648 1.00 0.00 H new ATOM 0 HG CYS A 11 14.094 -7.254 -0.056 1.00 0.00 H new ATOM 124 N LYS A 12 10.153 -5.366 -2.271 1.00 0.00 N ATOM 125 CA LYS A 12 8.974 -4.875 -2.973 1.00 0.00 C ATOM 126 C LYS A 12 7.717 -5.596 -2.496 1.00 0.00 C ATOM 127 O LYS A 12 7.755 -6.785 -2.179 1.00 0.00 O ATOM 128 CB LYS A 12 9.139 -5.060 -4.483 1.00 0.00 C ATOM 129 CG LYS A 12 7.899 -4.694 -5.280 1.00 0.00 C ATOM 130 CD LYS A 12 8.205 -4.573 -6.764 1.00 0.00 C ATOM 131 CE LYS A 12 9.005 -3.315 -7.066 1.00 0.00 C ATOM 132 NZ LYS A 12 10.472 -3.561 -6.995 1.00 0.00 N ATOM 0 H LYS A 12 10.469 -6.288 -2.573 1.00 0.00 H new ATOM 0 HA LYS A 12 8.868 -3.813 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.974 -4.450 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.398 -6.099 -4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.130 -5.451 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.495 -3.751 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.763 -5.449 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.273 -4.557 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.746 -2.949 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.733 -2.533 -6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.887 -2.972 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.646 -4.564 -6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.909 -3.319 -7.907 1.00 0.00 H new ATOM 146 N ILE A 13 6.605 -4.870 -2.450 1.00 0.00 N ATOM 147 CA ILE A 13 5.337 -5.442 -2.014 1.00 0.00 C ATOM 148 C ILE A 13 4.256 -5.251 -3.072 1.00 0.00 C ATOM 149 O ILE A 13 3.357 -4.424 -2.916 1.00 0.00 O ATOM 150 CB ILE A 13 4.861 -4.814 -0.691 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.892 -5.056 0.414 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.507 -5.381 -0.293 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.113 -6.520 0.723 1.00 0.00 C ATOM 0 H ILE A 13 6.556 -3.885 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 13 5.508 -6.507 -1.860 1.00 0.00 H new ATOM 0 HB ILE A 13 4.755 -3.739 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.841 -4.608 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.567 -4.546 1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.184 -4.928 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.777 -5.162 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.588 -6.460 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.856 -6.617 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.175 -6.969 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.468 -7.031 -0.172 1.00 0.00 H new ATOM 165 N THR A 14 4.347 -6.024 -4.150 1.00 0.00 N ATOM 166 CA THR A 14 3.377 -5.942 -5.234 1.00 0.00 C ATOM 167 C THR A 14 2.154 -6.804 -4.944 1.00 0.00 C ATOM 168 O THR A 14 2.241 -8.033 -4.912 1.00 0.00 O ATOM 169 CB THR A 14 3.994 -6.381 -6.575 1.00 0.00 C ATOM 170 OG1 THR A 14 5.358 -5.950 -6.651 1.00 0.00 O ATOM 171 CG2 THR A 14 3.210 -5.806 -7.746 1.00 0.00 C ATOM 0 H THR A 14 5.084 -6.714 -4.295 1.00 0.00 H new ATOM 0 HA THR A 14 3.073 -4.898 -5.307 1.00 0.00 H new ATOM 0 HB THR A 14 3.953 -7.469 -6.630 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.744 -6.234 -7.506 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.665 -6.130 -8.682 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.179 -6.158 -7.702 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.224 -4.717 -7.693 1.00 0.00 H new ATOM 179 N LEU A 15 1.014 -6.155 -4.734 1.00 0.00 N ATOM 180 CA LEU A 15 -0.229 -6.864 -4.448 1.00 0.00 C ATOM 181 C LEU A 15 -1.286 -6.557 -5.503 1.00 0.00 C ATOM 182 O LEU A 15 -1.530 -5.397 -5.835 1.00 0.00 O ATOM 183 CB LEU A 15 -0.749 -6.480 -3.061 1.00 0.00 C ATOM 184 CG LEU A 15 0.273 -6.521 -1.925 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.140 -5.584 -0.801 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.436 -7.942 -1.405 1.00 0.00 C ATOM 0 H LEU A 15 0.924 -5.139 -4.756 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.022 -7.934 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.161 -5.472 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.572 -7.147 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 15 1.234 -6.186 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.600 -5.627 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.204 -4.565 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.112 -5.888 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.167 -7.952 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.522 -8.305 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.779 -8.588 -2.213 1.00 0.00 H new ATOM 198 N LYS A 16 -1.913 -7.605 -6.027 1.00 0.00 N ATOM 199 CA LYS A 16 -2.947 -7.450 -7.043 1.00 0.00 C ATOM 200 C LYS A 16 -4.269 -8.045 -6.568 1.00 0.00 C ATOM 201 O LYS A 16 -4.457 -9.261 -6.594 1.00 0.00 O ATOM 202 CB LYS A 16 -2.513 -8.119 -8.349 1.00 0.00 C ATOM 203 CG LYS A 16 -1.478 -7.324 -9.125 1.00 0.00 C ATOM 204 CD LYS A 16 -0.068 -7.629 -8.648 1.00 0.00 C ATOM 205 CE LYS A 16 0.532 -8.808 -9.399 1.00 0.00 C ATOM 206 NZ LYS A 16 0.045 -10.111 -8.867 1.00 0.00 N ATOM 0 H LYS A 16 -1.723 -8.572 -5.764 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.091 -6.384 -7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.108 -9.106 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.390 -8.270 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.562 -7.555 -10.187 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.678 -6.258 -9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.562 -6.750 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.083 -7.846 -7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.280 -8.731 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.619 -8.770 -9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.765 -10.844 -9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.134 -10.024 -7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.836 -10.377 -9.352 1.00 0.00 H new ATOM 220 N GLU A 17 -5.182 -7.180 -6.138 1.00 0.00 N ATOM 221 CA GLU A 17 -6.486 -7.622 -5.659 1.00 0.00 C ATOM 222 C GLU A 17 -7.610 -6.926 -6.421 1.00 0.00 C ATOM 223 O GLU A 17 -7.559 -5.719 -6.662 1.00 0.00 O ATOM 224 CB GLU A 17 -6.625 -7.346 -4.160 1.00 0.00 C ATOM 225 CG GLU A 17 -7.766 -8.105 -3.504 1.00 0.00 C ATOM 226 CD GLU A 17 -7.549 -9.606 -3.513 1.00 0.00 C ATOM 227 OE1 GLU A 17 -7.827 -10.239 -4.553 1.00 0.00 O ATOM 228 OE2 GLU A 17 -7.102 -10.148 -2.480 1.00 0.00 O ATOM 0 H GLU A 17 -5.043 -6.170 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.563 -8.695 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.691 -7.609 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.776 -6.277 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.880 -7.764 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.697 -7.873 -4.022 1.00 0.00 H new ATOM 235 N THR A 18 -8.626 -7.696 -6.799 1.00 0.00 N ATOM 236 CA THR A 18 -9.762 -7.155 -7.535 1.00 0.00 C ATOM 237 C THR A 18 -10.873 -6.717 -6.588 1.00 0.00 C ATOM 238 O THR A 18 -11.037 -7.280 -5.505 1.00 0.00 O ATOM 239 CB THR A 18 -10.328 -8.186 -8.530 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.274 -8.712 -9.344 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.392 -7.555 -9.416 1.00 0.00 C ATOM 0 H THR A 18 -8.685 -8.696 -6.607 1.00 0.00 H new ATOM 0 HA THR A 18 -9.397 -6.289 -8.087 1.00 0.00 H new ATOM 0 HB THR A 18 -10.784 -8.995 -7.960 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.421 -8.311 -9.075 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.777 -8.302 -10.110 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.207 -7.182 -8.796 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.955 -6.729 -9.977 1.00 0.00 H new ATOM 249 N PHE A 19 -11.634 -5.710 -7.002 1.00 0.00 N ATOM 250 CA PHE A 19 -12.731 -5.196 -6.190 1.00 0.00 C ATOM 251 C PHE A 19 -14.047 -5.240 -6.961 1.00 0.00 C ATOM 252 O PHE A 19 -14.082 -4.985 -8.165 1.00 0.00 O ATOM 253 CB PHE A 19 -12.435 -3.762 -5.745 1.00 0.00 C ATOM 254 CG PHE A 19 -11.312 -3.662 -4.752 1.00 0.00 C ATOM 255 CD1 PHE A 19 -9.993 -3.735 -5.170 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.576 -3.493 -3.403 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.958 -3.644 -4.258 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.544 -3.401 -2.487 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.234 -3.475 -2.916 1.00 0.00 C ATOM 0 H PHE A 19 -11.511 -5.233 -7.895 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.826 -5.831 -5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.189 -3.162 -6.621 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.336 -3.333 -5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.771 -3.864 -6.219 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.599 -3.432 -3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.934 -3.705 -4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.763 -3.271 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.426 -3.401 -2.203 1.00 0.00 H new ATOM 269 N LEU A 20 -15.126 -5.565 -6.259 1.00 0.00 N ATOM 270 CA LEU A 20 -16.446 -5.644 -6.876 1.00 0.00 C ATOM 271 C LEU A 20 -17.063 -4.257 -7.019 1.00 0.00 C ATOM 272 O LEU A 20 -18.265 -4.076 -6.818 1.00 0.00 O ATOM 273 CB LEU A 20 -17.366 -6.542 -6.047 1.00 0.00 C ATOM 274 CG LEU A 20 -17.079 -8.042 -6.115 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.384 -8.582 -7.504 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.633 -8.326 -5.736 1.00 0.00 C ATOM 0 H LEU A 20 -15.114 -5.778 -5.262 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.330 -6.074 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.305 -6.228 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.393 -6.374 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.727 -8.549 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.174 -9.651 -7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.435 -8.413 -7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.762 -8.070 -8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.447 -9.399 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.967 -7.807 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.448 -7.976 -4.720 1.00 0.00 H new ATOM 288 N THR A 21 -16.234 -3.278 -7.369 1.00 0.00 N ATOM 289 CA THR A 21 -16.698 -1.907 -7.541 1.00 0.00 C ATOM 290 C THR A 21 -15.928 -1.200 -8.650 1.00 0.00 C ATOM 291 O THR A 21 -14.879 -1.672 -9.088 1.00 0.00 O ATOM 292 CB THR A 21 -16.556 -1.099 -6.237 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.345 0.094 -6.312 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.101 -0.737 -5.981 1.00 0.00 C ATOM 0 H THR A 21 -15.237 -3.410 -7.539 1.00 0.00 H new ATOM 0 HA THR A 21 -17.752 -1.962 -7.813 1.00 0.00 H new ATOM 0 HB THR A 21 -16.910 -1.716 -5.412 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.108 0.020 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 21 -15.025 -0.167 -5.055 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.509 -1.648 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.724 -0.136 -6.809 1.00 0.00 H new ATOM 302 N SER A 22 -16.455 -0.066 -9.099 1.00 0.00 N ATOM 303 CA SER A 22 -15.817 0.705 -10.161 1.00 0.00 C ATOM 304 C SER A 22 -14.657 1.530 -9.611 1.00 0.00 C ATOM 305 O SER A 22 -14.631 1.907 -8.439 1.00 0.00 O ATOM 306 CB SER A 22 -16.837 1.624 -10.835 1.00 0.00 C ATOM 307 OG SER A 22 -17.898 0.878 -11.405 1.00 0.00 O ATOM 0 H SER A 22 -17.321 0.340 -8.745 1.00 0.00 H new ATOM 0 HA SER A 22 -15.425 0.006 -10.899 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.235 2.328 -10.104 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.345 2.212 -11.610 1.00 0.00 H new ATOM 0 HG SER A 22 -18.537 1.489 -11.828 1.00 0.00 H new ATOM 313 N PRO A 23 -13.674 1.817 -10.477 1.00 0.00 N ATOM 314 CA PRO A 23 -12.493 2.600 -10.102 1.00 0.00 C ATOM 315 C PRO A 23 -12.858 3.874 -9.348 1.00 0.00 C ATOM 316 O PRO A 23 -12.459 4.062 -8.199 1.00 0.00 O ATOM 317 CB PRO A 23 -11.852 2.942 -11.450 1.00 0.00 C ATOM 318 CG PRO A 23 -12.295 1.854 -12.367 1.00 0.00 C ATOM 319 CD PRO A 23 -13.640 1.400 -11.889 1.00 0.00 C ATOM 0 HA PRO A 23 -11.836 2.050 -9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.179 3.919 -11.807 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.765 2.978 -11.374 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.352 2.214 -13.394 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.583 1.028 -12.358 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.444 1.862 -12.461 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.756 0.321 -11.990 1.00 0.00 H new ATOM 327 N GLU A 24 -13.619 4.747 -10.002 1.00 0.00 N ATOM 328 CA GLU A 24 -14.036 6.003 -9.391 1.00 0.00 C ATOM 329 C GLU A 24 -14.432 5.794 -7.932 1.00 0.00 C ATOM 330 O GLU A 24 -14.142 6.628 -7.075 1.00 0.00 O ATOM 331 CB GLU A 24 -15.208 6.608 -10.167 1.00 0.00 C ATOM 332 CG GLU A 24 -16.557 6.020 -9.789 1.00 0.00 C ATOM 333 CD GLU A 24 -17.606 6.228 -10.863 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.637 5.432 -11.825 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.398 7.186 -10.742 1.00 0.00 O ATOM 0 H GLU A 24 -13.958 4.607 -10.954 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.192 6.692 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.229 7.684 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.042 6.459 -11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.443 4.953 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.899 6.474 -8.859 1.00 0.00 H new ATOM 342 N GLU A 25 -15.095 4.675 -7.659 1.00 0.00 N ATOM 343 CA GLU A 25 -15.532 4.358 -6.305 1.00 0.00 C ATOM 344 C GLU A 25 -14.335 4.198 -5.371 1.00 0.00 C ATOM 345 O GLU A 25 -14.106 5.026 -4.489 1.00 0.00 O ATOM 346 CB GLU A 25 -16.370 3.077 -6.302 1.00 0.00 C ATOM 347 CG GLU A 25 -17.403 3.028 -5.189 1.00 0.00 C ATOM 348 CD GLU A 25 -18.201 4.313 -5.077 1.00 0.00 C ATOM 349 OE1 GLU A 25 -18.996 4.600 -5.995 1.00 0.00 O ATOM 350 OE2 GLU A 25 -18.030 5.031 -4.069 1.00 0.00 O ATOM 0 H GLU A 25 -15.341 3.973 -8.357 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.144 5.185 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.878 2.983 -7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.705 2.218 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.084 2.196 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.902 2.832 -4.241 1.00 0.00 H new ATOM 357 N LEU A 26 -13.576 3.126 -5.572 1.00 0.00 N ATOM 358 CA LEU A 26 -12.402 2.856 -4.749 1.00 0.00 C ATOM 359 C LEU A 26 -11.445 4.044 -4.756 1.00 0.00 C ATOM 360 O LEU A 26 -10.648 4.218 -3.834 1.00 0.00 O ATOM 361 CB LEU A 26 -11.681 1.603 -5.249 1.00 0.00 C ATOM 362 CG LEU A 26 -10.734 0.931 -4.255 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.517 0.290 -3.120 1.00 0.00 C ATOM 364 CD2 LEU A 26 -9.868 -0.103 -4.959 1.00 0.00 C ATOM 0 H LEU A 26 -13.752 2.430 -6.297 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.738 2.691 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.432 0.874 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.112 1.867 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.081 1.695 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.826 -0.183 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.092 1.054 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.195 -0.461 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.200 -0.571 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.504 -0.864 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.278 0.384 -5.735 1.00 0.00 H new ATOM 376 N TYR A 27 -11.532 4.859 -5.801 1.00 0.00 N ATOM 377 CA TYR A 27 -10.674 6.031 -5.930 1.00 0.00 C ATOM 378 C TYR A 27 -10.897 6.999 -4.771 1.00 0.00 C ATOM 379 O TYR A 27 -10.080 7.886 -4.523 1.00 0.00 O ATOM 380 CB TYR A 27 -10.939 6.740 -7.259 1.00 0.00 C ATOM 381 CG TYR A 27 -9.962 7.856 -7.555 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.600 7.689 -7.336 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.401 9.076 -8.053 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.704 8.705 -7.605 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.512 10.097 -8.326 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.164 9.907 -8.100 1.00 0.00 C ATOM 387 OH TYR A 27 -7.275 10.923 -8.370 1.00 0.00 O ATOM 0 H TYR A 27 -12.188 4.730 -6.571 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.637 5.695 -5.906 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.898 6.009 -8.066 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.950 7.147 -7.249 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.236 6.749 -6.949 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.455 9.229 -8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.649 8.559 -7.429 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.870 11.039 -8.714 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.654 10.636 -9.071 1.00 0.00 H new ATOM 397 N ARG A 28 -12.008 6.820 -4.065 1.00 0.00 N ATOM 398 CA ARG A 28 -12.340 7.676 -2.932 1.00 0.00 C ATOM 399 C ARG A 28 -11.888 7.042 -1.620 1.00 0.00 C ATOM 400 O ARG A 28 -11.162 7.657 -0.839 1.00 0.00 O ATOM 401 CB ARG A 28 -13.846 7.942 -2.891 1.00 0.00 C ATOM 402 CG ARG A 28 -14.486 8.036 -4.266 1.00 0.00 C ATOM 403 CD ARG A 28 -15.935 7.574 -4.239 1.00 0.00 C ATOM 404 NE ARG A 28 -16.855 8.674 -3.965 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.332 9.484 -4.903 1.00 0.00 C ATOM 406 NH1 ARG A 28 -16.979 9.318 -6.170 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.166 10.463 -4.575 1.00 0.00 N ATOM 0 H ARG A 28 -12.694 6.090 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.814 8.622 -3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.332 7.145 -2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.028 8.871 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.438 9.065 -4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.922 7.428 -4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.188 7.119 -5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.055 6.803 -3.478 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.147 8.829 -3.000 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.339 8.566 -6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.347 9.942 -6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.441 10.594 -3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.532 11.085 -5.296 1.00 0.00 H new ATOM 421 N VAL A 29 -12.322 5.808 -1.385 1.00 0.00 N ATOM 422 CA VAL A 29 -11.962 5.090 -0.168 1.00 0.00 C ATOM 423 C VAL A 29 -10.482 5.260 0.153 1.00 0.00 C ATOM 424 O VAL A 29 -10.063 5.106 1.300 1.00 0.00 O ATOM 425 CB VAL A 29 -12.280 3.587 -0.288 1.00 0.00 C ATOM 426 CG1 VAL A 29 -12.120 2.898 1.058 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.684 3.383 -0.837 1.00 0.00 C ATOM 0 H VAL A 29 -12.923 5.285 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.557 5.517 0.639 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.572 3.138 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.349 1.837 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.094 3.015 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.802 3.347 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.893 2.316 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.408 3.846 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.759 3.841 -1.823 1.00 0.00 H new ATOM 437 N PHE A 30 -9.694 5.581 -0.868 1.00 0.00 N ATOM 438 CA PHE A 30 -8.258 5.772 -0.695 1.00 0.00 C ATOM 439 C PHE A 30 -7.908 7.257 -0.664 1.00 0.00 C ATOM 440 O PHE A 30 -6.883 7.654 -0.109 1.00 0.00 O ATOM 441 CB PHE A 30 -7.490 5.078 -1.822 1.00 0.00 C ATOM 442 CG PHE A 30 -7.349 3.596 -1.626 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.328 2.727 -2.079 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.236 3.071 -0.989 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.201 1.363 -1.901 1.00 0.00 C ATOM 446 CE2 PHE A 30 -6.103 1.707 -0.809 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.087 0.852 -1.264 1.00 0.00 C ATOM 0 H PHE A 30 -10.025 5.714 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.969 5.328 0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.000 5.265 -2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.498 5.522 -1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.201 3.121 -2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.464 3.735 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.972 0.697 -2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.230 1.310 -0.313 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.986 -0.214 -1.122 1.00 0.00 H new ATOM 457 N THR A 31 -8.767 8.074 -1.266 1.00 0.00 N ATOM 458 CA THR A 31 -8.548 9.515 -1.310 1.00 0.00 C ATOM 459 C THR A 31 -9.585 10.254 -0.472 1.00 0.00 C ATOM 460 O THR A 31 -9.821 11.447 -0.667 1.00 0.00 O ATOM 461 CB THR A 31 -8.598 10.047 -2.754 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.937 9.975 -3.257 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.669 9.249 -3.657 1.00 0.00 C ATOM 0 H THR A 31 -9.620 7.763 -1.730 1.00 0.00 H new ATOM 0 HA THR A 31 -7.555 9.697 -0.898 1.00 0.00 H new ATOM 0 HB THR A 31 -8.268 11.086 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.938 9.510 -4.120 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.721 9.643 -4.672 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.646 9.329 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.973 8.202 -3.658 1.00 0.00 H new ATOM 471 N THR A 32 -10.203 9.539 0.463 1.00 0.00 N ATOM 472 CA THR A 32 -11.216 10.127 1.330 1.00 0.00 C ATOM 473 C THR A 32 -11.031 9.677 2.775 1.00 0.00 C ATOM 474 O THR A 32 -11.349 8.541 3.126 1.00 0.00 O ATOM 475 CB THR A 32 -12.637 9.755 0.867 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.768 9.980 -0.541 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.681 10.571 1.615 1.00 0.00 C ATOM 0 H THR A 32 -10.019 8.551 0.639 1.00 0.00 H new ATOM 0 HA THR A 32 -11.094 11.208 1.270 1.00 0.00 H new ATOM 0 HB THR A 32 -12.801 8.699 1.083 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.650 10.364 -0.730 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.677 10.291 1.271 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.598 10.376 2.684 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.517 11.632 1.426 1.00 0.00 H new ATOM 485 N GLN A 33 -10.516 10.575 3.608 1.00 0.00 N ATOM 486 CA GLN A 33 -10.289 10.269 5.016 1.00 0.00 C ATOM 487 C GLN A 33 -11.461 9.486 5.598 1.00 0.00 C ATOM 488 O GLN A 33 -11.315 8.327 5.984 1.00 0.00 O ATOM 489 CB GLN A 33 -10.075 11.557 5.812 1.00 0.00 C ATOM 490 CG GLN A 33 -9.975 11.336 7.312 1.00 0.00 C ATOM 491 CD GLN A 33 -9.684 12.615 8.073 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.466 13.669 7.476 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.680 12.528 9.398 1.00 0.00 N ATOM 0 H GLN A 33 -10.248 11.520 3.333 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.392 9.653 5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.164 12.042 5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.899 12.241 5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.909 10.906 7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.189 10.609 7.517 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.866 11.633 9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.491 13.356 9.963 1.00 0.00 H new ATOM 502 N GLU A 34 -12.624 10.128 5.659 1.00 0.00 N ATOM 503 CA GLU A 34 -13.820 9.492 6.196 1.00 0.00 C ATOM 504 C GLU A 34 -13.904 8.032 5.757 1.00 0.00 C ATOM 505 O GLU A 34 -13.870 7.121 6.585 1.00 0.00 O ATOM 506 CB GLU A 34 -15.073 10.244 5.742 1.00 0.00 C ATOM 507 CG GLU A 34 -16.369 9.615 6.224 1.00 0.00 C ATOM 508 CD GLU A 34 -16.819 10.161 7.565 1.00 0.00 C ATOM 509 OE1 GLU A 34 -16.355 11.257 7.945 1.00 0.00 O ATOM 510 OE2 GLU A 34 -17.634 9.492 8.235 1.00 0.00 O ATOM 0 H GLU A 34 -12.762 11.088 5.343 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.759 9.524 7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.021 11.271 6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.084 10.290 4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.150 9.789 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.238 8.536 6.301 1.00 0.00 H new ATOM 517 N LEU A 35 -14.013 7.819 4.451 1.00 0.00 N ATOM 518 CA LEU A 35 -14.101 6.470 3.901 1.00 0.00 C ATOM 519 C LEU A 35 -13.041 5.561 4.514 1.00 0.00 C ATOM 520 O LEU A 35 -13.270 4.368 4.712 1.00 0.00 O ATOM 521 CB LEU A 35 -13.941 6.507 2.380 1.00 0.00 C ATOM 522 CG LEU A 35 -14.938 7.383 1.621 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.785 7.189 0.121 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.362 7.072 2.058 1.00 0.00 C ATOM 0 H LEU A 35 -14.043 8.562 3.753 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.084 6.067 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.934 6.854 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.022 5.488 2.001 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.727 8.426 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.503 7.820 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.774 7.463 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.969 6.145 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.058 7.705 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.585 6.025 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.465 7.263 3.126 1.00 0.00 H new ATOM 536 N VAL A 36 -11.879 6.134 4.813 1.00 0.00 N ATOM 537 CA VAL A 36 -10.784 5.377 5.407 1.00 0.00 C ATOM 538 C VAL A 36 -11.100 4.990 6.847 1.00 0.00 C ATOM 539 O VAL A 36 -10.924 3.838 7.243 1.00 0.00 O ATOM 540 CB VAL A 36 -9.468 6.178 5.379 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.291 5.284 5.740 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.264 6.819 4.015 1.00 0.00 C ATOM 0 H VAL A 36 -11.672 7.120 4.653 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.664 4.473 4.810 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.530 6.973 6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.370 5.867 5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.436 4.878 6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.222 4.466 5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.330 7.381 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.222 6.043 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.093 7.493 3.802 1.00 0.00 H new ATOM 552 N GLN A 37 -11.569 5.960 7.626 1.00 0.00 N ATOM 553 CA GLN A 37 -11.910 5.720 9.023 1.00 0.00 C ATOM 554 C GLN A 37 -13.081 4.750 9.138 1.00 0.00 C ATOM 555 O GLN A 37 -13.478 4.370 10.239 1.00 0.00 O ATOM 556 CB GLN A 37 -12.253 7.038 9.719 1.00 0.00 C ATOM 557 CG GLN A 37 -11.061 7.697 10.395 1.00 0.00 C ATOM 558 CD GLN A 37 -11.397 9.059 10.970 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.547 10.050 10.099 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.520 9.220 12.185 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.721 6.919 7.313 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.044 5.274 9.512 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.672 7.728 8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.027 6.855 10.464 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.697 7.050 11.193 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.250 7.801 9.674 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.396 8.431 12.819 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.746 10.143 12.557 1.00 0.00 H new ATOM 569 N ALA A 38 -13.630 4.354 7.995 1.00 0.00 N ATOM 570 CA ALA A 38 -14.754 3.427 7.968 1.00 0.00 C ATOM 571 C ALA A 38 -14.273 1.981 7.918 1.00 0.00 C ATOM 572 O ALA A 38 -14.711 1.143 8.706 1.00 0.00 O ATOM 573 CB ALA A 38 -15.656 3.726 6.780 1.00 0.00 C ATOM 0 H ALA A 38 -13.314 4.661 7.075 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.325 3.561 8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.491 3.026 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.037 4.744 6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.087 3.622 5.856 1.00 0.00 H new ATOM 579 N PHE A 39 -13.369 1.695 6.987 1.00 0.00 N ATOM 580 CA PHE A 39 -12.829 0.349 6.834 1.00 0.00 C ATOM 581 C PHE A 39 -11.650 0.125 7.776 1.00 0.00 C ATOM 582 O PHE A 39 -11.142 -0.990 7.901 1.00 0.00 O ATOM 583 CB PHE A 39 -12.391 0.114 5.387 1.00 0.00 C ATOM 584 CG PHE A 39 -11.090 0.778 5.038 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.892 0.283 5.526 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.066 1.898 4.223 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.693 0.893 5.207 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.870 2.512 3.900 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.682 2.008 4.393 1.00 0.00 C ATOM 0 H PHE A 39 -12.995 2.377 6.327 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.615 -0.362 7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.300 -0.958 5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.168 0.481 4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.894 -0.589 6.163 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.992 2.296 3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.766 0.498 5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.865 3.384 3.263 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.746 2.485 4.142 1.00 0.00 H new ATOM 599 N THR A 40 -11.217 1.194 8.438 1.00 0.00 N ATOM 600 CA THR A 40 -10.098 1.117 9.367 1.00 0.00 C ATOM 601 C THR A 40 -10.575 1.206 10.812 1.00 0.00 C ATOM 602 O THR A 40 -9.858 0.827 11.738 1.00 0.00 O ATOM 603 CB THR A 40 -9.073 2.237 9.107 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.688 3.516 9.293 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.511 2.139 7.696 1.00 0.00 C ATOM 0 H THR A 40 -11.626 2.124 8.347 1.00 0.00 H new ATOM 0 HA THR A 40 -9.619 0.151 9.204 1.00 0.00 H new ATOM 0 HB THR A 40 -8.254 2.122 9.816 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.468 3.593 8.704 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.789 2.940 7.535 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.018 1.175 7.567 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.322 2.231 6.974 1.00 0.00 H new ATOM 613 N HIS A 41 -11.791 1.709 10.998 1.00 0.00 N ATOM 614 CA HIS A 41 -12.366 1.847 12.332 1.00 0.00 C ATOM 615 C HIS A 41 -11.325 2.366 13.321 1.00 0.00 C ATOM 616 O HIS A 41 -11.282 1.936 14.473 1.00 0.00 O ATOM 617 CB HIS A 41 -12.919 0.506 12.813 1.00 0.00 C ATOM 618 CG HIS A 41 -13.689 -0.235 11.764 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.058 -0.142 11.628 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.273 -1.085 10.796 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.451 -0.904 10.622 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.387 -1.486 10.100 1.00 0.00 N ATOM 0 H HIS A 41 -12.397 2.028 10.242 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.181 2.569 12.277 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.092 -0.117 13.154 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.565 0.677 13.674 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.255 -1.391 10.606 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.469 -1.029 10.284 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.392 -2.129 9.308 1.00 0.00 H new ATOM 631 N ALA A 42 -10.489 3.291 12.861 1.00 0.00 N ATOM 632 CA ALA A 42 -9.450 3.868 13.705 1.00 0.00 C ATOM 633 C ALA A 42 -9.131 5.298 13.282 1.00 0.00 C ATOM 634 O ALA A 42 -9.284 5.676 12.121 1.00 0.00 O ATOM 635 CB ALA A 42 -8.195 3.010 13.659 1.00 0.00 C ATOM 0 H ALA A 42 -10.511 3.657 11.909 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.822 3.894 14.729 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.428 3.453 14.294 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.427 2.007 14.016 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.830 2.954 12.634 1.00 0.00 H new ATOM 641 N PRO A 43 -8.678 6.114 14.246 1.00 0.00 N ATOM 642 CA PRO A 43 -8.328 7.515 13.997 1.00 0.00 C ATOM 643 C PRO A 43 -7.441 7.682 12.768 1.00 0.00 C ATOM 644 O PRO A 43 -6.216 7.611 12.862 1.00 0.00 O ATOM 645 CB PRO A 43 -7.571 7.922 15.263 1.00 0.00 C ATOM 646 CG PRO A 43 -8.090 7.014 16.324 1.00 0.00 C ATOM 647 CD PRO A 43 -8.472 5.730 15.653 1.00 0.00 C ATOM 0 HA PRO A 43 -9.208 8.125 13.796 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.495 7.806 15.135 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.752 8.967 15.513 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.332 6.840 17.087 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.950 7.458 16.825 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.688 4.979 15.752 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.377 5.306 16.088 1.00 0.00 H new ATOM 655 N ALA A 44 -8.067 7.904 11.617 1.00 0.00 N ATOM 656 CA ALA A 44 -7.333 8.083 10.370 1.00 0.00 C ATOM 657 C ALA A 44 -7.500 9.501 9.834 1.00 0.00 C ATOM 658 O ALA A 44 -8.586 10.078 9.901 1.00 0.00 O ATOM 659 CB ALA A 44 -7.795 7.068 9.336 1.00 0.00 C ATOM 0 H ALA A 44 -9.081 7.964 11.522 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.274 7.922 10.573 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.239 7.213 8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.618 6.060 9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.860 7.202 9.145 1.00 0.00 H new ATOM 665 N THR A 45 -6.417 10.059 9.303 1.00 0.00 N ATOM 666 CA THR A 45 -6.443 11.410 8.757 1.00 0.00 C ATOM 667 C THR A 45 -5.888 11.440 7.337 1.00 0.00 C ATOM 668 O THR A 45 -4.674 11.453 7.134 1.00 0.00 O ATOM 669 CB THR A 45 -5.633 12.385 9.632 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.216 12.470 10.938 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.588 13.769 9.001 1.00 0.00 C ATOM 0 H THR A 45 -5.510 9.596 9.239 1.00 0.00 H new ATOM 0 HA THR A 45 -7.486 11.725 8.744 1.00 0.00 H new ATOM 0 HB THR A 45 -4.614 12.006 9.712 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.695 13.090 11.489 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.011 14.440 9.637 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.119 13.706 8.019 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.602 14.153 8.894 1.00 0.00 H new ATOM 679 N LEU A 46 -6.785 11.452 6.357 1.00 0.00 N ATOM 680 CA LEU A 46 -6.385 11.481 4.954 1.00 0.00 C ATOM 681 C LEU A 46 -6.636 12.857 4.346 1.00 0.00 C ATOM 682 O LEU A 46 -7.636 13.507 4.648 1.00 0.00 O ATOM 683 CB LEU A 46 -7.147 10.415 4.164 1.00 0.00 C ATOM 684 CG LEU A 46 -6.492 9.949 2.864 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.753 8.468 2.636 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.999 10.769 1.687 1.00 0.00 C ATOM 0 H LEU A 46 -7.794 11.442 6.508 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.317 11.269 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.289 9.547 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.138 10.804 3.929 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.416 10.099 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.279 8.154 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.340 7.894 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.827 8.293 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.522 10.423 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.079 10.652 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.760 11.820 1.846 1.00 0.00 H new ATOM 698 N GLU A 47 -5.721 13.294 3.485 1.00 0.00 N ATOM 699 CA GLU A 47 -5.844 14.592 2.833 1.00 0.00 C ATOM 700 C GLU A 47 -5.564 14.478 1.337 1.00 0.00 C ATOM 701 O GLU A 47 -4.412 14.509 0.907 1.00 0.00 O ATOM 702 CB GLU A 47 -4.883 15.600 3.468 1.00 0.00 C ATOM 703 CG GLU A 47 -5.195 15.903 4.924 1.00 0.00 C ATOM 704 CD GLU A 47 -6.425 16.775 5.088 1.00 0.00 C ATOM 705 OE1 GLU A 47 -7.490 16.405 4.553 1.00 0.00 O ATOM 706 OE2 GLU A 47 -6.321 17.827 5.753 1.00 0.00 O ATOM 0 H GLU A 47 -4.887 12.768 3.223 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.867 14.942 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.866 15.215 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.914 16.528 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.344 14.967 5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.338 16.400 5.379 1.00 0.00 H new ATOM 713 N ALA A 48 -6.627 14.347 0.551 1.00 0.00 N ATOM 714 CA ALA A 48 -6.497 14.230 -0.896 1.00 0.00 C ATOM 715 C ALA A 48 -5.845 15.474 -1.491 1.00 0.00 C ATOM 716 O ALA A 48 -6.514 16.476 -1.743 1.00 0.00 O ATOM 717 CB ALA A 48 -7.859 13.990 -1.531 1.00 0.00 C ATOM 0 H ALA A 48 -7.588 14.319 0.892 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.853 13.377 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.747 13.905 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.287 13.068 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.520 14.825 -1.300 1.00 0.00 H new ATOM 723 N ASP A 49 -4.538 15.402 -1.712 1.00 0.00 N ATOM 724 CA ASP A 49 -3.795 16.523 -2.278 1.00 0.00 C ATOM 725 C ASP A 49 -2.344 16.135 -2.542 1.00 0.00 C ATOM 726 O ASP A 49 -1.762 15.333 -1.811 1.00 0.00 O ATOM 727 CB ASP A 49 -3.852 17.727 -1.337 1.00 0.00 C ATOM 728 CG ASP A 49 -3.777 19.046 -2.079 1.00 0.00 C ATOM 729 OD1 ASP A 49 -4.251 19.106 -3.233 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.246 20.020 -1.506 1.00 0.00 O ATOM 0 H ASP A 49 -3.970 14.580 -1.508 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.258 16.792 -3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.776 17.690 -0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.029 17.667 -0.625 1.00 0.00 H new ATOM 735 N ARG A 50 -1.764 16.710 -3.591 1.00 0.00 N ATOM 736 CA ARG A 50 -0.382 16.423 -3.953 1.00 0.00 C ATOM 737 C ARG A 50 0.568 16.811 -2.823 1.00 0.00 C ATOM 738 O ARG A 50 0.959 17.970 -2.698 1.00 0.00 O ATOM 739 CB ARG A 50 -0.001 17.170 -5.232 1.00 0.00 C ATOM 740 CG ARG A 50 -0.481 16.487 -6.502 1.00 0.00 C ATOM 741 CD ARG A 50 0.227 17.034 -7.731 1.00 0.00 C ATOM 742 NE ARG A 50 -0.302 18.335 -8.134 1.00 0.00 N ATOM 743 CZ ARG A 50 -1.398 18.486 -8.869 1.00 0.00 C ATOM 744 NH1 ARG A 50 -2.077 17.424 -9.280 1.00 0.00 N ATOM 745 NH2 ARG A 50 -1.816 19.703 -9.195 1.00 0.00 N ATOM 0 H ARG A 50 -2.231 17.378 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.294 15.351 -4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.416 18.177 -5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.083 17.274 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.306 15.414 -6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.557 16.628 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.293 17.124 -7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.120 16.328 -8.555 1.00 0.00 H new ATOM 0 HE ARG A 50 0.197 19.173 -7.835 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.758 16.487 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.918 17.544 -9.844 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.296 20.522 -8.881 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.658 19.819 -9.759 1.00 0.00 H new ATOM 759 N GLY A 51 0.933 15.831 -2.001 1.00 0.00 N ATOM 760 CA GLY A 51 1.832 16.091 -0.892 1.00 0.00 C ATOM 761 C GLY A 51 1.139 15.990 0.453 1.00 0.00 C ATOM 762 O GLY A 51 1.776 16.111 1.498 1.00 0.00 O ATOM 0 H GLY A 51 0.622 14.863 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.659 15.382 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.261 17.087 -1.002 1.00 0.00 H new ATOM 766 N GLY A 52 -0.172 15.770 0.426 1.00 0.00 N ATOM 767 CA GLY A 52 -0.931 15.659 1.658 1.00 0.00 C ATOM 768 C GLY A 52 -0.434 14.535 2.545 1.00 0.00 C ATOM 769 O GLY A 52 0.488 13.805 2.180 1.00 0.00 O ATOM 0 H GLY A 52 -0.722 15.667 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.873 16.601 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.982 15.493 1.420 1.00 0.00 H new ATOM 773 N LYS A 53 -1.046 14.393 3.716 1.00 0.00 N ATOM 774 CA LYS A 53 -0.662 13.350 4.660 1.00 0.00 C ATOM 775 C LYS A 53 -1.840 12.431 4.964 1.00 0.00 C ATOM 776 O LYS A 53 -2.942 12.894 5.256 1.00 0.00 O ATOM 777 CB LYS A 53 -0.140 13.974 5.956 1.00 0.00 C ATOM 778 CG LYS A 53 1.358 14.225 5.951 1.00 0.00 C ATOM 779 CD LYS A 53 1.764 15.151 4.817 1.00 0.00 C ATOM 780 CE LYS A 53 3.086 15.845 5.110 1.00 0.00 C ATOM 781 NZ LYS A 53 3.841 16.147 3.863 1.00 0.00 N ATOM 0 H LYS A 53 -1.811 14.988 4.034 1.00 0.00 H new ATOM 0 HA LYS A 53 0.131 12.756 4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.657 14.918 6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.387 13.318 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.658 14.662 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.887 13.277 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.849 14.580 3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.986 15.899 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.898 16.771 5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.693 15.212 5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.309 17.071 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.557 15.410 3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.184 16.171 3.057 1.00 0.00 H new ATOM 795 N PHE A 54 -1.599 11.125 4.894 1.00 0.00 N ATOM 796 CA PHE A 54 -2.641 10.141 5.162 1.00 0.00 C ATOM 797 C PHE A 54 -2.245 9.234 6.324 1.00 0.00 C ATOM 798 O PHE A 54 -1.241 8.524 6.259 1.00 0.00 O ATOM 799 CB PHE A 54 -2.910 9.299 3.913 1.00 0.00 C ATOM 800 CG PHE A 54 -1.883 8.228 3.678 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.975 7.008 4.327 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.826 8.443 2.809 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.032 6.020 4.113 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.119 7.459 2.590 1.00 0.00 C ATOM 805 CZ PHE A 54 0.017 6.247 3.244 1.00 0.00 C ATOM 0 H PHE A 54 -0.692 10.725 4.654 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.551 10.676 5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.893 8.836 4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.945 9.955 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.793 6.826 5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.740 9.390 2.297 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.116 5.072 4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.937 7.638 1.908 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.756 5.478 3.076 1.00 0.00 H new ATOM 815 N HIS A 55 -3.042 9.264 7.388 1.00 0.00 N ATOM 816 CA HIS A 55 -2.777 8.445 8.565 1.00 0.00 C ATOM 817 C HIS A 55 -3.931 7.483 8.830 1.00 0.00 C ATOM 818 O HIS A 55 -5.099 7.859 8.734 1.00 0.00 O ATOM 819 CB HIS A 55 -2.546 9.333 9.789 1.00 0.00 C ATOM 820 CG HIS A 55 -1.488 8.815 10.714 1.00 0.00 C ATOM 821 ND1 HIS A 55 -1.002 7.526 10.655 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.822 9.421 11.724 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.083 7.361 11.590 1.00 0.00 C ATOM 824 NE2 HIS A 55 0.045 8.497 12.252 1.00 0.00 N ATOM 0 H HIS A 55 -3.876 9.847 7.459 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.877 7.860 8.374 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.267 10.332 9.455 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.482 9.430 10.339 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.305 6.811 9.993 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.949 10.442 12.053 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.469 6.453 11.780 1.00 0.00 H new ATOM 833 N MET A 56 -3.596 6.241 9.163 1.00 0.00 N ATOM 834 CA MET A 56 -4.605 5.226 9.442 1.00 0.00 C ATOM 835 C MET A 56 -4.112 4.246 10.501 1.00 0.00 C ATOM 836 O MET A 56 -2.976 4.339 10.967 1.00 0.00 O ATOM 837 CB MET A 56 -4.968 4.471 8.161 1.00 0.00 C ATOM 838 CG MET A 56 -3.845 4.439 7.137 1.00 0.00 C ATOM 839 SD MET A 56 -3.798 2.894 6.207 1.00 0.00 S ATOM 840 CE MET A 56 -5.412 2.916 5.431 1.00 0.00 C ATOM 0 H MET A 56 -2.634 5.913 9.246 1.00 0.00 H new ATOM 0 HA MET A 56 -5.494 5.729 9.823 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.244 3.448 8.417 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.846 4.935 7.711 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.966 5.272 6.445 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.891 4.582 7.645 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.328 2.552 4.407 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.093 2.274 5.990 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.798 3.935 5.423 1.00 0.00 H new ATOM 850 N VAL A 57 -4.973 3.306 10.878 1.00 0.00 N ATOM 851 CA VAL A 57 -4.625 2.308 11.882 1.00 0.00 C ATOM 852 C VAL A 57 -4.373 2.957 13.238 1.00 0.00 C ATOM 853 O VAL A 57 -3.481 2.545 13.979 1.00 0.00 O ATOM 854 CB VAL A 57 -3.375 1.508 11.469 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.152 0.338 12.414 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.502 1.027 10.031 1.00 0.00 C ATOM 0 H VAL A 57 -5.917 3.215 10.503 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.474 1.628 11.959 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.507 2.165 11.533 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.265 -0.215 12.106 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.013 0.711 13.429 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.019 -0.322 12.386 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.610 0.464 9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.379 0.387 9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.608 1.886 9.368 1.00 0.00 H new ATOM 866 N ASP A 58 -5.167 3.974 13.557 1.00 0.00 N ATOM 867 CA ASP A 58 -5.032 4.680 14.826 1.00 0.00 C ATOM 868 C ASP A 58 -3.700 5.421 14.896 1.00 0.00 C ATOM 869 O ASP A 58 -3.033 5.423 15.930 1.00 0.00 O ATOM 870 CB ASP A 58 -5.147 3.700 15.994 1.00 0.00 C ATOM 871 CG ASP A 58 -5.715 4.349 17.241 1.00 0.00 C ATOM 872 OD1 ASP A 58 -5.378 5.523 17.505 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.497 3.685 17.952 1.00 0.00 O ATOM 0 H ASP A 58 -5.910 4.328 12.955 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.838 5.411 14.895 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.782 2.864 15.702 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.163 3.289 16.218 1.00 0.00 H new ATOM 878 N GLY A 59 -3.319 6.050 13.788 1.00 0.00 N ATOM 879 CA GLY A 59 -2.068 6.784 13.745 1.00 0.00 C ATOM 880 C GLY A 59 -0.858 5.871 13.762 1.00 0.00 C ATOM 881 O GLY A 59 0.200 6.241 14.268 1.00 0.00 O ATOM 0 H GLY A 59 -3.854 6.064 12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.042 7.399 12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.019 7.462 14.597 1.00 0.00 H new ATOM 885 N ASN A 60 -1.015 4.674 13.207 1.00 0.00 N ATOM 886 CA ASN A 60 0.073 3.704 13.162 1.00 0.00 C ATOM 887 C ASN A 60 0.712 3.668 11.777 1.00 0.00 C ATOM 888 O ASN A 60 1.870 3.277 11.626 1.00 0.00 O ATOM 889 CB ASN A 60 -0.441 2.312 13.535 1.00 0.00 C ATOM 890 CG ASN A 60 -0.408 2.065 15.031 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.449 1.336 15.532 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.342 2.673 15.752 1.00 0.00 N ATOM 0 H ASN A 60 -1.885 4.352 12.782 1.00 0.00 H new ATOM 0 HA ASN A 60 0.830 4.010 13.884 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.462 2.196 13.173 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.163 1.558 13.032 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.369 2.545 16.764 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.032 3.268 15.294 1.00 0.00 H new ATOM 899 N VAL A 61 -0.050 4.078 10.769 1.00 0.00 N ATOM 900 CA VAL A 61 0.442 4.095 9.396 1.00 0.00 C ATOM 901 C VAL A 61 0.228 5.460 8.752 1.00 0.00 C ATOM 902 O VAL A 61 -0.906 5.899 8.566 1.00 0.00 O ATOM 903 CB VAL A 61 -0.252 3.020 8.538 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.197 3.122 7.088 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.027 1.632 9.095 1.00 0.00 C ATOM 0 H VAL A 61 -1.011 4.403 10.877 1.00 0.00 H new ATOM 0 HA VAL A 61 1.510 3.881 9.440 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.328 3.191 8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.304 2.355 6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.059 4.106 6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.276 2.978 7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.471 0.885 8.477 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.101 1.448 9.092 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.349 1.567 10.116 1.00 0.00 H new ATOM 915 N SER A 62 1.327 6.127 8.414 1.00 0.00 N ATOM 916 CA SER A 62 1.261 7.445 7.793 1.00 0.00 C ATOM 917 C SER A 62 1.949 7.439 6.431 1.00 0.00 C ATOM 918 O SER A 62 2.517 6.431 6.014 1.00 0.00 O ATOM 919 CB SER A 62 1.908 8.492 8.700 1.00 0.00 C ATOM 920 OG SER A 62 3.297 8.250 8.849 1.00 0.00 O ATOM 0 H SER A 62 2.274 5.776 8.560 1.00 0.00 H new ATOM 0 HA SER A 62 0.211 7.699 7.649 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.752 9.486 8.282 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.426 8.478 9.678 1.00 0.00 H new ATOM 0 HG SER A 62 3.688 8.934 9.432 1.00 0.00 H new ATOM 926 N GLY A 63 1.894 8.575 5.743 1.00 0.00 N ATOM 927 CA GLY A 63 2.515 8.681 4.435 1.00 0.00 C ATOM 928 C GLY A 63 2.319 10.048 3.809 1.00 0.00 C ATOM 929 O GLY A 63 1.885 10.986 4.476 1.00 0.00 O ATOM 0 H GLY A 63 1.431 9.424 6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.582 8.476 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.098 7.920 3.776 1.00 0.00 H new ATOM 933 N GLU A 64 2.642 10.160 2.525 1.00 0.00 N ATOM 934 CA GLU A 64 2.501 11.423 1.810 1.00 0.00 C ATOM 935 C GLU A 64 2.169 11.183 0.340 1.00 0.00 C ATOM 936 O GLU A 64 2.722 10.283 -0.294 1.00 0.00 O ATOM 937 CB GLU A 64 3.785 12.247 1.926 1.00 0.00 C ATOM 938 CG GLU A 64 4.776 11.991 0.803 1.00 0.00 C ATOM 939 CD GLU A 64 5.958 12.941 0.840 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.335 13.375 1.949 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.505 13.250 -0.239 1.00 0.00 O ATOM 0 H GLU A 64 3.003 9.392 1.959 1.00 0.00 H new ATOM 0 HA GLU A 64 1.680 11.977 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.527 13.306 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.264 12.025 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.137 10.965 0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.266 12.088 -0.156 1.00 0.00 H new ATOM 948 N PHE A 65 1.262 11.993 -0.196 1.00 0.00 N ATOM 949 CA PHE A 65 0.855 11.868 -1.591 1.00 0.00 C ATOM 950 C PHE A 65 1.869 12.534 -2.515 1.00 0.00 C ATOM 951 O PHE A 65 2.211 13.705 -2.342 1.00 0.00 O ATOM 952 CB PHE A 65 -0.527 12.491 -1.798 1.00 0.00 C ATOM 953 CG PHE A 65 -1.655 11.622 -1.318 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.494 10.806 -0.210 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.874 11.621 -1.975 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.529 10.005 0.235 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.914 10.824 -1.534 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.740 10.013 -0.429 1.00 0.00 C ATOM 0 H PHE A 65 0.795 12.743 0.314 1.00 0.00 H new ATOM 0 HA PHE A 65 0.809 10.807 -1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.568 13.447 -1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.667 12.701 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.549 10.796 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.014 12.250 -2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.391 9.374 1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.861 10.835 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.550 9.386 -0.085 1.00 0.00 H new ATOM 968 N THR A 66 2.349 11.780 -3.499 1.00 0.00 N ATOM 969 CA THR A 66 3.326 12.295 -4.451 1.00 0.00 C ATOM 970 C THR A 66 2.688 12.543 -5.813 1.00 0.00 C ATOM 971 O THR A 66 3.027 13.505 -6.502 1.00 0.00 O ATOM 972 CB THR A 66 4.511 11.326 -4.620 1.00 0.00 C ATOM 973 OG1 THR A 66 4.029 10.009 -4.911 1.00 0.00 O ATOM 974 CG2 THR A 66 5.366 11.292 -3.362 1.00 0.00 C ATOM 0 H THR A 66 2.077 10.810 -3.658 1.00 0.00 H new ATOM 0 HA THR A 66 3.693 13.239 -4.048 1.00 0.00 H new ATOM 0 HB THR A 66 5.125 11.679 -5.448 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.053 10.029 -4.996 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.197 10.601 -3.505 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.755 12.290 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.760 10.961 -2.519 1.00 0.00 H new ATOM 982 N ASP A 67 1.764 11.669 -6.196 1.00 0.00 N ATOM 983 CA ASP A 67 1.077 11.794 -7.476 1.00 0.00 C ATOM 984 C ASP A 67 -0.397 11.423 -7.341 1.00 0.00 C ATOM 985 O ASP A 67 -0.754 10.524 -6.579 1.00 0.00 O ATOM 986 CB ASP A 67 1.745 10.905 -8.527 1.00 0.00 C ATOM 987 CG ASP A 67 1.618 11.469 -9.928 1.00 0.00 C ATOM 988 OD1 ASP A 67 1.387 12.690 -10.058 1.00 0.00 O ATOM 989 OD2 ASP A 67 1.751 10.690 -10.895 1.00 0.00 O ATOM 0 H ASP A 67 1.473 10.866 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 67 1.144 12.834 -7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.800 10.786 -8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.297 9.912 -8.496 1.00 0.00 H new ATOM 994 N LEU A 68 -1.248 12.122 -8.084 1.00 0.00 N ATOM 995 CA LEU A 68 -2.684 11.868 -8.047 1.00 0.00 C ATOM 996 C LEU A 68 -3.305 12.052 -9.427 1.00 0.00 C ATOM 997 O LEU A 68 -3.456 13.176 -9.907 1.00 0.00 O ATOM 998 CB LEU A 68 -3.361 12.801 -7.041 1.00 0.00 C ATOM 999 CG LEU A 68 -2.983 12.594 -5.574 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.548 13.714 -4.714 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.478 11.241 -5.082 1.00 0.00 C ATOM 0 H LEU A 68 -0.968 12.869 -8.720 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.838 10.835 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.126 13.830 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.440 12.685 -7.137 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.896 12.614 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.269 13.550 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.146 14.670 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.634 13.726 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.200 11.110 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.563 11.194 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.026 10.449 -5.679 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.667 10.941 -10.061 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.276 10.980 -11.385 1.00 0.00 C ATOM 1015 C VAL A 69 -5.756 10.621 -11.320 1.00 0.00 C ATOM 1016 O VAL A 69 -6.169 9.711 -10.602 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.568 10.017 -12.357 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.073 10.224 -13.777 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.060 10.202 -12.286 1.00 0.00 C ATOM 0 H VAL A 69 -3.549 10.003 -9.679 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.168 12.000 -11.753 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.800 8.994 -12.061 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.561 9.535 -14.449 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.146 10.036 -13.813 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.874 11.249 -14.088 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.576 9.514 -12.979 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.806 11.227 -12.556 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.716 9.998 -11.272 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.577 11.354 -12.088 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.025 11.131 -12.136 1.00 0.00 C ATOM 1031 C PRO A 70 -8.379 9.659 -12.320 1.00 0.00 C ATOM 1032 O PRO A 70 -8.126 9.077 -13.374 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.468 11.943 -13.355 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.442 13.014 -13.491 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.154 12.455 -12.970 1.00 0.00 C ATOM 0 HA PRO A 70 -8.514 11.427 -11.208 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.512 11.322 -14.249 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.463 12.364 -13.210 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.337 13.318 -14.533 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.733 13.901 -12.928 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.518 12.097 -13.779 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.584 13.207 -12.425 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.967 9.063 -11.286 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.355 7.659 -11.335 1.00 0.00 C ATOM 1045 C GLU A 71 -8.421 6.867 -12.245 1.00 0.00 C ATOM 1046 O GLU A 71 -8.868 6.119 -13.115 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.798 7.522 -11.824 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.779 8.415 -11.083 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.166 8.394 -11.697 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.430 7.508 -12.537 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.987 9.263 -11.336 1.00 0.00 O ATOM 0 H GLU A 71 -9.184 9.531 -10.406 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.281 7.253 -10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.836 7.758 -12.887 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.112 6.484 -11.717 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.841 8.095 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.403 9.438 -11.080 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.119 7.037 -12.039 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.120 6.339 -12.840 1.00 0.00 C ATOM 1060 C LYS A 72 -5.124 5.605 -11.947 1.00 0.00 C ATOM 1061 O LYS A 72 -4.989 4.384 -12.025 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.379 7.328 -13.743 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.111 7.636 -15.037 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.145 7.799 -16.199 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.901 6.477 -16.911 1.00 0.00 C ATOM 1066 NZ LYS A 72 -6.022 6.125 -17.826 1.00 0.00 N ATOM 0 H LYS A 72 -6.731 7.652 -11.324 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.635 5.605 -13.460 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.219 8.257 -13.196 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.395 6.924 -13.980 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.815 6.834 -15.258 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.695 8.549 -14.917 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.544 8.526 -16.906 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.198 8.197 -15.833 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.973 6.537 -17.480 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.772 5.685 -16.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.818 5.218 -18.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.903 6.043 -17.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.129 6.868 -18.546 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.429 6.358 -11.099 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.447 5.777 -10.190 1.00 0.00 C ATOM 1082 C HIS A 73 -3.120 6.743 -9.056 1.00 0.00 C ATOM 1083 O HIS A 73 -3.401 7.939 -9.145 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.171 5.413 -10.949 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.084 6.434 -10.818 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.142 7.784 -10.743 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.254 6.105 -10.751 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.149 8.241 -10.632 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 0.971 7.208 -10.639 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.528 7.370 -11.023 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.876 4.872 -9.761 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.803 4.454 -10.585 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.411 5.283 -12.004 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.653 5.102 -10.785 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.443 9.277 -10.552 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.988 7.254 -10.570 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.525 6.217 -7.990 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.160 7.033 -6.839 1.00 0.00 C ATOM 1100 C ILE A 74 -0.807 6.613 -6.275 1.00 0.00 C ATOM 1101 O ILE A 74 -0.597 5.447 -5.940 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.219 6.942 -5.725 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.590 7.361 -6.259 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.818 7.808 -4.540 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.737 6.974 -5.351 1.00 0.00 C ATOM 0 H ILE A 74 -2.286 5.230 -7.900 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.101 8.064 -7.189 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.282 5.907 -5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.600 8.441 -6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.744 6.907 -7.238 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.577 7.733 -3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.860 7.467 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.729 8.846 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.678 7.303 -5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.753 5.891 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.607 7.449 -4.379 1.00 0.00 H new ATOM 1117 N VAL A 75 0.108 7.572 -6.170 1.00 0.00 N ATOM 1118 CA VAL A 75 1.441 7.302 -5.643 1.00 0.00 C ATOM 1119 C VAL A 75 1.683 8.064 -4.345 1.00 0.00 C ATOM 1120 O VAL A 75 1.588 9.291 -4.307 1.00 0.00 O ATOM 1121 CB VAL A 75 2.534 7.682 -6.660 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.850 7.006 -6.307 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.098 7.317 -8.071 1.00 0.00 C ATOM 0 H VAL A 75 -0.049 8.542 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 75 1.493 6.231 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 75 2.686 8.761 -6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.610 7.286 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.167 7.323 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.718 5.924 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.882 7.592 -8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.917 6.244 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.182 7.853 -8.319 1.00 0.00 H new ATOM 1133 N MET A 76 1.996 7.329 -3.283 1.00 0.00 N ATOM 1134 CA MET A 76 2.254 7.936 -1.983 1.00 0.00 C ATOM 1135 C MET A 76 3.229 7.089 -1.171 1.00 0.00 C ATOM 1136 O MET A 76 3.589 5.982 -1.572 1.00 0.00 O ATOM 1137 CB MET A 76 0.945 8.110 -1.209 1.00 0.00 C ATOM 1138 CG MET A 76 0.399 6.812 -0.638 1.00 0.00 C ATOM 1139 SD MET A 76 -1.341 6.932 -0.180 1.00 0.00 S ATOM 1140 CE MET A 76 -1.975 5.399 -0.855 1.00 0.00 C ATOM 0 H MET A 76 2.077 6.312 -3.297 1.00 0.00 H new ATOM 0 HA MET A 76 2.703 8.915 -2.150 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.105 8.816 -0.395 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.198 8.549 -1.870 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.523 6.016 -1.372 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.983 6.531 0.239 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.043 5.326 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.808 5.379 -1.932 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.460 4.557 -0.392 1.00 0.00 H new ATOM 1150 N LYS A 77 3.652 7.616 -0.027 1.00 0.00 N ATOM 1151 CA LYS A 77 4.585 6.909 0.842 1.00 0.00 C ATOM 1152 C LYS A 77 3.838 6.079 1.881 1.00 0.00 C ATOM 1153 O LYS A 77 2.725 6.423 2.281 1.00 0.00 O ATOM 1154 CB LYS A 77 5.516 7.902 1.541 1.00 0.00 C ATOM 1155 CG LYS A 77 6.652 8.394 0.661 1.00 0.00 C ATOM 1156 CD LYS A 77 7.729 9.089 1.477 1.00 0.00 C ATOM 1157 CE LYS A 77 7.464 10.582 1.593 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.657 11.320 2.093 1.00 0.00 N ATOM 0 H LYS A 77 3.363 8.531 0.320 1.00 0.00 H new ATOM 0 HA LYS A 77 5.180 6.236 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.932 8.758 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.934 7.431 2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.088 7.552 0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.261 9.082 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.774 8.648 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.701 8.926 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.175 10.976 0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.624 10.750 2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.406 12.316 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.979 10.895 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.420 11.265 1.388 1.00 0.00 H new ATOM 1172 N TRP A 78 4.456 4.987 2.315 1.00 0.00 N ATOM 1173 CA TRP A 78 3.849 4.109 3.309 1.00 0.00 C ATOM 1174 C TRP A 78 4.875 3.673 4.350 1.00 0.00 C ATOM 1175 O TRP A 78 6.013 3.346 4.014 1.00 0.00 O ATOM 1176 CB TRP A 78 3.240 2.881 2.631 1.00 0.00 C ATOM 1177 CG TRP A 78 2.164 2.226 3.443 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.815 2.385 3.297 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.346 1.311 4.529 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.148 1.624 4.226 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.065 0.955 4.993 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.467 0.756 5.153 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.876 0.071 6.052 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.278 -0.121 6.204 1.00 0.00 C ATOM 1185 CH2 TRP A 78 1.991 -0.457 6.645 1.00 0.00 C ATOM 0 H TRP A 78 5.377 4.688 1.994 1.00 0.00 H new ATOM 0 HA TRP A 78 3.060 4.665 3.815 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.828 3.175 1.665 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.029 2.155 2.434 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.342 3.016 2.559 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.865 1.566 4.328 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.463 1.008 4.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.115 -0.189 6.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.137 -0.555 6.694 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.877 -1.146 7.469 1.00 0.00 H new ATOM 1196 N ARG A 79 4.465 3.672 5.614 1.00 0.00 N ATOM 1197 CA ARG A 79 5.350 3.278 6.704 1.00 0.00 C ATOM 1198 C ARG A 79 4.561 3.056 7.991 1.00 0.00 C ATOM 1199 O ARG A 79 3.396 3.440 8.092 1.00 0.00 O ATOM 1200 CB ARG A 79 6.424 4.344 6.928 1.00 0.00 C ATOM 1201 CG ARG A 79 5.889 5.627 7.544 1.00 0.00 C ATOM 1202 CD ARG A 79 6.941 6.312 8.403 1.00 0.00 C ATOM 1203 NE ARG A 79 7.127 5.637 9.684 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.603 6.237 10.769 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.938 7.519 10.728 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.743 5.555 11.898 1.00 0.00 N ATOM 0 H ARG A 79 3.526 3.940 5.909 1.00 0.00 H new ATOM 0 HA ARG A 79 5.832 2.340 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.200 3.936 7.576 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.896 4.578 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.565 6.304 6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.012 5.403 8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.889 6.336 7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.648 7.347 8.578 1.00 0.00 H new ATOM 0 HE ARG A 79 6.878 4.650 9.749 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.830 8.047 9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.303 7.978 11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.485 4.569 11.933 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.109 6.017 12.731 1.00 0.00 H new ATOM 1220 N PHE A 80 5.205 2.433 8.973 1.00 0.00 N ATOM 1221 CA PHE A 80 4.563 2.159 10.254 1.00 0.00 C ATOM 1222 C PHE A 80 5.024 3.151 11.317 1.00 0.00 C ATOM 1223 O PHE A 80 5.998 3.880 11.123 1.00 0.00 O ATOM 1224 CB PHE A 80 4.871 0.730 10.706 1.00 0.00 C ATOM 1225 CG PHE A 80 3.812 -0.263 10.319 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.471 0.027 10.507 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.159 -1.486 9.768 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.494 -0.884 10.152 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.187 -2.401 9.411 1.00 0.00 C ATOM 1230 CZ PHE A 80 1.853 -2.100 9.604 1.00 0.00 C ATOM 0 H PHE A 80 6.170 2.109 8.906 1.00 0.00 H new ATOM 0 HA PHE A 80 3.486 2.268 10.124 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.823 0.419 10.277 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.990 0.718 11.789 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.185 0.976 10.936 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.201 -1.727 9.616 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.452 -0.645 10.303 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.470 -3.351 8.981 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.092 -2.814 9.327 1.00 0.00 H new ATOM 1240 N LYS A 81 4.317 3.175 12.442 1.00 0.00 N ATOM 1241 CA LYS A 81 4.652 4.077 13.537 1.00 0.00 C ATOM 1242 C LYS A 81 5.849 3.554 14.326 1.00 0.00 C ATOM 1243 O LYS A 81 6.365 4.234 15.213 1.00 0.00 O ATOM 1244 CB LYS A 81 3.451 4.249 14.469 1.00 0.00 C ATOM 1245 CG LYS A 81 3.782 4.974 15.762 1.00 0.00 C ATOM 1246 CD LYS A 81 4.166 4.001 16.864 1.00 0.00 C ATOM 1247 CE LYS A 81 2.947 3.285 17.426 1.00 0.00 C ATOM 1248 NZ LYS A 81 2.651 2.028 16.685 1.00 0.00 N ATOM 0 H LYS A 81 3.508 2.580 12.619 1.00 0.00 H new ATOM 0 HA LYS A 81 4.915 5.045 13.110 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.670 4.799 13.944 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.043 3.267 14.707 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.602 5.672 15.590 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.922 5.564 16.080 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.872 3.268 16.474 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.675 4.539 17.664 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.114 3.055 18.478 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.083 3.947 17.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.727 2.111 16.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.389 1.864 15.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.631 1.229 17.351 1.00 0.00 H new ATOM 1262 N SER A 82 6.287 2.344 13.994 1.00 0.00 N ATOM 1263 CA SER A 82 7.422 1.730 14.673 1.00 0.00 C ATOM 1264 C SER A 82 8.643 1.686 13.759 1.00 0.00 C ATOM 1265 O SER A 82 9.776 1.555 14.224 1.00 0.00 O ATOM 1266 CB SER A 82 7.064 0.315 15.132 1.00 0.00 C ATOM 1267 OG SER A 82 8.197 -0.351 15.663 1.00 0.00 O ATOM 0 H SER A 82 5.873 1.770 13.259 1.00 0.00 H new ATOM 0 HA SER A 82 7.664 2.337 15.545 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.279 0.362 15.887 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.665 -0.253 14.292 1.00 0.00 H new ATOM 0 HG SER A 82 7.942 -1.252 15.951 1.00 0.00 H new ATOM 1273 N TRP A 83 8.404 1.797 12.458 1.00 0.00 N ATOM 1274 CA TRP A 83 9.484 1.771 11.477 1.00 0.00 C ATOM 1275 C TRP A 83 10.586 2.754 11.854 1.00 0.00 C ATOM 1276 O TRP A 83 10.370 3.708 12.603 1.00 0.00 O ATOM 1277 CB TRP A 83 8.944 2.100 10.085 1.00 0.00 C ATOM 1278 CG TRP A 83 8.428 0.901 9.349 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.122 -0.319 9.881 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.159 0.806 7.945 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.680 -1.166 8.894 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.693 -0.499 7.697 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.266 1.698 6.875 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.335 -0.932 6.423 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.911 1.267 5.611 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.450 -0.038 5.394 1.00 0.00 C ATOM 0 H TRP A 83 7.472 1.906 12.057 1.00 0.00 H new ATOM 0 HA TRP A 83 9.908 0.767 11.467 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.143 2.833 10.178 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.735 2.566 9.497 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.214 -0.580 10.925 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.389 -2.134 9.030 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.620 2.706 7.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.979 -1.938 6.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.990 1.948 4.776 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.180 -0.344 4.394 1.00 0.00 H new ATOM 1333 N HIS A 87 12.004 6.609 7.292 1.00 0.00 N ATOM 1334 CA HIS A 87 11.998 5.426 6.438 1.00 0.00 C ATOM 1335 C HIS A 87 10.596 5.149 5.903 1.00 0.00 C ATOM 1336 O HIS A 87 9.754 4.588 6.604 1.00 0.00 O ATOM 1337 CB HIS A 87 12.512 4.211 7.210 1.00 0.00 C ATOM 1338 CG HIS A 87 12.922 3.071 6.330 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.239 2.755 6.072 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.180 2.168 5.647 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.289 1.709 5.267 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.053 1.333 4.995 1.00 0.00 N ATOM 0 HA HIS A 87 12.659 5.615 5.592 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.363 4.512 7.820 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.735 3.870 7.894 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.102 2.114 5.620 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.188 1.241 4.895 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.790 0.549 4.398 1.00 0.00 H new ATOM 1351 N PHE A 88 10.354 5.546 4.658 1.00 0.00 N ATOM 1352 CA PHE A 88 9.053 5.341 4.031 1.00 0.00 C ATOM 1353 C PHE A 88 9.181 4.462 2.790 1.00 0.00 C ATOM 1354 O PHE A 88 10.283 4.217 2.300 1.00 0.00 O ATOM 1355 CB PHE A 88 8.428 6.686 3.655 1.00 0.00 C ATOM 1356 CG PHE A 88 7.993 7.497 4.842 1.00 0.00 C ATOM 1357 CD1 PHE A 88 8.929 8.029 5.715 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.649 7.727 5.086 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.532 8.776 6.808 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.246 8.474 6.177 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.189 8.998 7.039 1.00 0.00 C ATOM 0 H PHE A 88 11.041 6.011 4.064 1.00 0.00 H new ATOM 0 HA PHE A 88 8.406 4.835 4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.148 7.263 3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.567 6.510 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.981 7.858 5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.907 7.318 4.416 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.271 9.185 7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.195 8.648 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.876 9.581 7.893 1.00 0.00 H new ATOM 1371 N ALA A 89 8.045 3.991 2.287 1.00 0.00 N ATOM 1372 CA ALA A 89 8.028 3.141 1.103 1.00 0.00 C ATOM 1373 C ALA A 89 7.175 3.755 -0.002 1.00 0.00 C ATOM 1374 O ALA A 89 6.076 4.251 0.251 1.00 0.00 O ATOM 1375 CB ALA A 89 7.517 1.752 1.457 1.00 0.00 C ATOM 0 H ALA A 89 7.124 4.184 2.681 1.00 0.00 H new ATOM 0 HA ALA A 89 9.050 3.057 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.510 1.128 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.170 1.304 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.505 1.827 1.855 1.00 0.00 H new ATOM 1381 N THR A 90 7.687 3.719 -1.228 1.00 0.00 N ATOM 1382 CA THR A 90 6.973 4.273 -2.371 1.00 0.00 C ATOM 1383 C THR A 90 5.908 3.306 -2.876 1.00 0.00 C ATOM 1384 O THR A 90 6.226 2.241 -3.406 1.00 0.00 O ATOM 1385 CB THR A 90 7.935 4.608 -3.526 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.050 5.359 -3.033 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.223 5.402 -4.611 1.00 0.00 C ATOM 0 H THR A 90 8.594 3.312 -1.455 1.00 0.00 H new ATOM 0 HA THR A 90 6.494 5.191 -2.029 1.00 0.00 H new ATOM 0 HB THR A 90 8.290 3.672 -3.957 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.658 5.566 -3.773 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.923 5.627 -5.416 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.393 4.816 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.843 6.333 -4.190 1.00 0.00 H new ATOM 1395 N ILE A 91 4.645 3.684 -2.710 1.00 0.00 N ATOM 1396 CA ILE A 91 3.534 2.850 -3.151 1.00 0.00 C ATOM 1397 C ILE A 91 2.755 3.523 -4.276 1.00 0.00 C ATOM 1398 O ILE A 91 2.343 4.677 -4.158 1.00 0.00 O ATOM 1399 CB ILE A 91 2.571 2.536 -1.991 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.146 1.426 -1.108 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.206 2.137 -2.530 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.484 1.775 -0.494 1.00 0.00 C ATOM 0 H ILE A 91 4.366 4.562 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 91 3.964 1.918 -3.517 1.00 0.00 H new ATOM 0 HB ILE A 91 2.453 3.433 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.437 1.203 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.254 0.519 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.536 1.918 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.795 2.955 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.307 1.251 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.831 0.943 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.208 1.970 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.378 2.664 0.128 1.00 0.00 H new ATOM 1414 N THR A 92 2.555 2.792 -5.369 1.00 0.00 N ATOM 1415 CA THR A 92 1.825 3.317 -6.516 1.00 0.00 C ATOM 1416 C THR A 92 0.654 2.412 -6.883 1.00 0.00 C ATOM 1417 O THR A 92 0.834 1.381 -7.534 1.00 0.00 O ATOM 1418 CB THR A 92 2.743 3.474 -7.743 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.803 4.390 -7.448 1.00 0.00 O ATOM 1420 CG2 THR A 92 1.957 3.970 -8.947 1.00 0.00 C ATOM 0 H THR A 92 2.889 1.835 -5.483 1.00 0.00 H new ATOM 0 HA THR A 92 1.446 4.298 -6.228 1.00 0.00 H new ATOM 0 HB THR A 92 3.164 2.497 -7.982 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.383 4.483 -8.233 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.626 4.073 -9.801 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.170 3.255 -9.187 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.511 4.937 -8.717 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.544 2.803 -6.464 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.746 2.027 -6.751 1.00 0.00 C ATOM 1430 C LEU A 93 -2.301 2.371 -8.129 1.00 0.00 C ATOM 1431 O LEU A 93 -2.084 3.469 -8.642 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.809 2.283 -5.681 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.572 1.616 -4.326 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.472 2.229 -3.264 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.804 0.115 -4.422 1.00 0.00 C ATOM 0 H LEU A 93 -0.710 3.653 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.477 0.971 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.887 3.359 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.772 1.946 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.535 1.786 -4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.289 1.741 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.257 3.294 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.515 2.091 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.631 -0.343 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.831 -0.075 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.117 -0.313 -5.152 1.00 0.00 H new ATOM 1447 N THR A 94 -3.022 1.425 -8.724 1.00 0.00 N ATOM 1448 CA THR A 94 -3.610 1.629 -10.042 1.00 0.00 C ATOM 1449 C THR A 94 -5.000 1.009 -10.125 1.00 0.00 C ATOM 1450 O THR A 94 -5.196 -0.151 -9.762 1.00 0.00 O ATOM 1451 CB THR A 94 -2.725 1.028 -11.150 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.344 1.126 -10.783 1.00 0.00 O ATOM 1453 CG2 THR A 94 -2.955 1.742 -12.473 1.00 0.00 C ATOM 0 H THR A 94 -3.212 0.511 -8.314 1.00 0.00 H new ATOM 0 HA THR A 94 -3.686 2.706 -10.192 1.00 0.00 H new ATOM 0 HB THR A 94 -2.994 -0.021 -11.270 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.789 0.740 -11.492 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.319 1.300 -13.240 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.000 1.640 -12.765 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.711 2.799 -12.363 1.00 0.00 H new ATOM 1461 N PHE A 95 -5.962 1.789 -10.606 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.336 1.316 -10.737 1.00 0.00 C ATOM 1463 C PHE A 95 -7.653 0.960 -12.186 1.00 0.00 C ATOM 1464 O PHE A 95 -7.521 1.793 -13.084 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.314 2.381 -10.236 1.00 0.00 C ATOM 1466 CG PHE A 95 -8.011 2.867 -8.847 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.898 3.656 -8.603 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.839 2.536 -7.787 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.617 4.104 -7.326 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.563 2.982 -6.508 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.451 3.768 -6.278 1.00 0.00 C ATOM 0 H PHE A 95 -5.816 2.751 -10.912 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.444 0.418 -10.129 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.298 3.229 -10.921 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.325 1.974 -10.257 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.243 3.924 -9.419 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.710 1.922 -7.962 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.746 4.717 -7.148 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.216 2.716 -5.690 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.234 4.119 -5.280 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.069 -0.282 -12.407 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.405 -0.749 -13.746 1.00 0.00 C ATOM 1483 C ILE A 96 -9.893 -1.064 -13.861 1.00 0.00 C ATOM 1484 O ILE A 96 -10.554 -1.359 -12.866 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.595 -2.002 -14.125 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.098 -1.743 -13.944 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.897 -2.415 -15.558 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.265 -3.005 -13.919 1.00 0.00 C ATOM 0 H ILE A 96 -8.182 -0.984 -11.675 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.153 0.058 -14.434 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.886 -2.818 -13.463 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.748 -1.102 -14.753 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.942 -1.196 -13.014 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.317 -3.302 -15.811 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.960 -2.636 -15.657 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.631 -1.603 -16.234 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.215 -2.745 -13.788 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.588 -3.638 -13.093 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.391 -3.543 -14.859 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.412 -1.002 -15.082 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.821 -1.284 -15.329 1.00 0.00 C ATOM 1502 C ASP A 97 -11.998 -2.667 -15.949 1.00 0.00 C ATOM 1503 O ASP A 97 -11.291 -3.033 -16.888 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.424 -0.219 -16.247 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.668 -0.708 -16.962 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.718 -0.842 -16.301 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -13.590 -0.957 -18.184 1.00 0.00 O ATOM 0 H ASP A 97 -9.878 -0.759 -15.916 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.343 -1.265 -14.372 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.670 0.666 -15.660 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.680 0.084 -16.984 1.00 0.00 H new ATOM 1512 N LYS A 98 -12.946 -3.431 -15.418 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.218 -4.773 -15.918 1.00 0.00 C ATOM 1514 C LYS A 98 -14.698 -4.944 -16.243 1.00 0.00 C ATOM 1515 O LYS A 98 -15.178 -6.062 -16.428 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.786 -5.820 -14.889 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.371 -5.621 -14.375 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.358 -6.370 -15.226 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.092 -6.680 -14.442 1.00 0.00 C ATOM 1520 NZ LYS A 98 -8.206 -7.628 -15.171 1.00 0.00 N ATOM 0 H LYS A 98 -13.540 -3.143 -14.640 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.645 -4.915 -16.834 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.477 -5.795 -14.046 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.865 -6.811 -15.336 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.130 -4.558 -14.372 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.306 -5.965 -13.343 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.800 -7.299 -15.587 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.107 -5.774 -16.104 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.550 -5.755 -14.246 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.359 -7.104 -13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.354 -7.814 -14.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.714 -8.521 -15.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.930 -7.213 -16.084 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.417 -3.828 -16.310 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.844 -3.855 -16.613 1.00 0.00 C ATOM 1536 C ASN A 99 -17.641 -4.396 -15.430 1.00 0.00 C ATOM 1537 O ASN A 99 -18.473 -5.289 -15.585 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.106 -4.711 -17.854 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.300 -4.222 -18.652 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.145 -3.580 -19.690 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.499 -4.525 -18.168 1.00 0.00 N ATOM 0 H ASN A 99 -15.035 -2.894 -16.159 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.169 -2.833 -16.809 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.221 -4.705 -18.490 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.274 -5.744 -17.551 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.339 -4.223 -18.661 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.580 -5.060 -17.303 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.381 -3.847 -14.248 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.083 -4.286 -13.056 1.00 0.00 C ATOM 1550 C GLY A 100 -17.174 -4.369 -11.845 1.00 0.00 C ATOM 1551 O GLY A 100 -17.614 -4.160 -10.716 1.00 0.00 O ATOM 0 H GLY A 100 -16.697 -3.106 -14.094 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.901 -3.597 -12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.528 -5.264 -13.240 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.902 -4.677 -12.082 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.930 -4.789 -11.001 1.00 0.00 C ATOM 1557 C GLU A 101 -13.710 -3.914 -11.273 1.00 0.00 C ATOM 1558 O GLU A 101 -13.532 -3.403 -12.379 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.497 -6.246 -10.824 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.654 -7.231 -10.842 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.235 -8.630 -10.432 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.590 -8.768 -9.371 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.552 -9.585 -11.170 1.00 0.00 O ATOM 0 H GLU A 101 -15.522 -4.853 -13.012 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.405 -4.444 -10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.796 -6.507 -11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.961 -6.345 -9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.437 -6.879 -10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.084 -7.263 -11.843 1.00 0.00 H new ATOM 1570 N THR A 102 -12.872 -3.745 -10.255 1.00 0.00 N ATOM 1571 CA THR A 102 -11.669 -2.931 -10.382 1.00 0.00 C ATOM 1572 C THR A 102 -10.443 -3.678 -9.871 1.00 0.00 C ATOM 1573 O THR A 102 -10.405 -4.112 -8.721 1.00 0.00 O ATOM 1574 CB THR A 102 -11.806 -1.603 -9.612 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.847 -0.807 -10.189 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.497 -0.828 -9.634 1.00 0.00 C ATOM 0 H THR A 102 -13.004 -4.161 -9.333 1.00 0.00 H new ATOM 0 HA THR A 102 -11.543 -2.716 -11.443 1.00 0.00 H new ATOM 0 HB THR A 102 -12.057 -1.833 -8.577 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.709 -1.066 -9.802 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.618 0.106 -9.084 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.713 -1.425 -9.168 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.221 -0.609 -10.666 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.442 -3.823 -10.734 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.214 -4.519 -10.368 1.00 0.00 C ATOM 1586 C GLU A 103 -7.177 -3.541 -9.822 1.00 0.00 C ATOM 1587 O GLU A 103 -6.545 -2.802 -10.578 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.643 -5.262 -11.578 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.453 -6.145 -11.243 1.00 0.00 C ATOM 1590 CD GLU A 103 -6.862 -7.553 -10.855 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -7.307 -8.307 -11.745 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -6.738 -7.900 -9.662 1.00 0.00 O ATOM 0 H GLU A 103 -9.457 -3.468 -11.690 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.454 -5.241 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.427 -5.876 -12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.344 -4.535 -12.333 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.784 -6.189 -12.103 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.891 -5.695 -10.425 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.009 -3.542 -8.504 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.050 -2.655 -7.855 1.00 0.00 C ATOM 1601 C LEU A 104 -4.655 -3.272 -7.851 1.00 0.00 C ATOM 1602 O LEU A 104 -4.408 -4.270 -7.172 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.492 -2.356 -6.421 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.690 -1.284 -5.682 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -6.093 0.104 -6.154 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -5.884 -1.415 -4.178 1.00 0.00 C ATOM 0 H LEU A 104 -7.524 -4.147 -7.864 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.014 -1.723 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.538 -2.050 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.441 -3.281 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.633 -1.429 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.512 0.854 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.902 0.194 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.154 0.260 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.306 -0.644 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.940 -1.297 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.545 -2.398 -3.852 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.746 -2.671 -8.610 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.374 -3.160 -8.693 1.00 0.00 C ATOM 1620 C CYS A 105 -1.442 -2.314 -7.831 1.00 0.00 C ATOM 1621 O CYS A 105 -0.943 -1.279 -8.272 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.894 -3.151 -10.145 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.526 -4.285 -10.477 1.00 0.00 S ATOM 0 H CYS A 105 -3.934 -1.844 -9.177 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.356 -4.184 -8.319 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.731 -3.408 -10.795 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.585 -2.139 -10.408 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.192 -4.207 -11.731 1.00 0.00 H new ATOM 1629 N MET A 106 -1.215 -2.761 -6.600 1.00 0.00 N ATOM 1630 CA MET A 106 -0.343 -2.044 -5.677 1.00 0.00 C ATOM 1631 C MET A 106 1.121 -2.381 -5.939 1.00 0.00 C ATOM 1632 O MET A 106 1.471 -3.541 -6.154 1.00 0.00 O ATOM 1633 CB MET A 106 -0.706 -2.386 -4.230 1.00 0.00 C ATOM 1634 CG MET A 106 -0.047 -1.476 -3.207 1.00 0.00 C ATOM 1635 SD MET A 106 1.730 -1.752 -3.075 1.00 0.00 S ATOM 1636 CE MET A 106 1.883 -2.144 -1.334 1.00 0.00 C ATOM 0 H MET A 106 -1.622 -3.615 -6.219 1.00 0.00 H new ATOM 0 HA MET A 106 -0.486 -0.975 -5.838 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.788 -2.328 -4.112 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.418 -3.417 -4.026 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.230 -0.437 -3.480 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.509 -1.636 -2.233 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.765 -2.765 -1.177 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.982 -1.222 -0.761 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.996 -2.684 -1.003 1.00 0.00 H new ATOM 1646 N GLU A 107 1.972 -1.360 -5.919 1.00 0.00 N ATOM 1647 CA GLU A 107 3.398 -1.549 -6.156 1.00 0.00 C ATOM 1648 C GLU A 107 4.227 -0.773 -5.137 1.00 0.00 C ATOM 1649 O GLU A 107 4.459 0.425 -5.293 1.00 0.00 O ATOM 1650 CB GLU A 107 3.766 -1.105 -7.574 1.00 0.00 C ATOM 1651 CG GLU A 107 5.068 -1.702 -8.080 1.00 0.00 C ATOM 1652 CD GLU A 107 5.767 -0.808 -9.086 1.00 0.00 C ATOM 1653 OE1 GLU A 107 5.837 0.415 -8.846 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.244 -1.333 -10.114 1.00 0.00 O ATOM 0 H GLU A 107 1.698 -0.394 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 107 3.620 -2.610 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.960 -1.383 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.841 -0.018 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.733 -1.882 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.866 -2.670 -8.538 1.00 0.00 H new ATOM 1661 N GLY A 108 4.670 -1.465 -4.092 1.00 0.00 N ATOM 1662 CA GLY A 108 5.467 -0.825 -3.062 1.00 0.00 C ATOM 1663 C GLY A 108 6.939 -1.170 -3.170 1.00 0.00 C ATOM 1664 O GLY A 108 7.305 -2.343 -3.247 1.00 0.00 O ATOM 0 H GLY A 108 4.491 -2.458 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.344 0.256 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.097 -1.126 -2.082 1.00 0.00 H new ATOM 1668 N ARG A 109 7.786 -0.146 -3.178 1.00 0.00 N ATOM 1669 CA ARG A 109 9.227 -0.346 -3.281 1.00 0.00 C ATOM 1670 C ARG A 109 9.963 0.430 -2.193 1.00 0.00 C ATOM 1671 O ARG A 109 9.988 1.660 -2.203 1.00 0.00 O ATOM 1672 CB ARG A 109 9.726 0.089 -4.660 1.00 0.00 C ATOM 1673 CG ARG A 109 9.280 1.487 -5.056 1.00 0.00 C ATOM 1674 CD ARG A 109 9.090 1.605 -6.560 1.00 0.00 C ATOM 1675 NE ARG A 109 9.366 2.956 -7.042 1.00 0.00 N ATOM 1676 CZ ARG A 109 9.007 3.395 -8.244 1.00 0.00 C ATOM 1677 NH1 ARG A 109 8.362 2.594 -9.081 1.00 0.00 N ATOM 1678 NH2 ARG A 109 9.294 4.638 -8.610 1.00 0.00 N ATOM 0 H ARG A 109 7.499 0.831 -3.114 1.00 0.00 H new ATOM 0 HA ARG A 109 9.432 -1.408 -3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.815 0.047 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.371 -0.622 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.346 1.729 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.020 2.214 -4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.748 0.898 -7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.068 1.329 -6.819 1.00 0.00 H new ATOM 0 HE ARG A 109 9.861 3.597 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.140 1.638 -8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.088 2.934 -10.003 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.790 5.257 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 109 9.018 4.975 -9.533 1.00 0.00 H new ATOM 1692 N GLY A 110 10.561 -0.298 -1.255 1.00 0.00 N ATOM 1693 CA GLY A 110 11.288 0.339 -0.173 1.00 0.00 C ATOM 1694 C GLY A 110 10.905 -0.211 1.187 1.00 0.00 C ATOM 1695 O GLY A 110 11.357 0.291 2.217 1.00 0.00 O ATOM 0 H GLY A 110 10.555 -1.318 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.358 0.202 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.098 1.412 -0.194 1.00 0.00 H new ATOM 1699 N ILE A 111 10.068 -1.243 1.191 1.00 0.00 N ATOM 1700 CA ILE A 111 9.624 -1.861 2.434 1.00 0.00 C ATOM 1701 C ILE A 111 10.760 -2.626 3.104 1.00 0.00 C ATOM 1702 O ILE A 111 11.393 -3.496 2.506 1.00 0.00 O ATOM 1703 CB ILE A 111 8.444 -2.821 2.195 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.153 -2.031 1.969 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.289 -3.773 3.372 1.00 0.00 C ATOM 1706 CD1 ILE A 111 6.914 -1.666 0.521 1.00 0.00 C ATOM 0 H ILE A 111 9.684 -1.669 0.347 1.00 0.00 H new ATOM 0 HA ILE A 111 9.298 -1.053 3.089 1.00 0.00 H new ATOM 0 HB ILE A 111 8.649 -3.410 1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.309 -2.618 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.186 -1.119 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.451 -4.445 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.202 -4.356 3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.103 -3.201 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 111 5.982 -1.108 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.739 -1.052 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.849 -2.575 -0.077 1.00 0.00 H new ATOM 1718 N PRO A 112 11.024 -2.297 4.378 1.00 0.00 N ATOM 1719 CA PRO A 112 12.083 -2.944 5.159 1.00 0.00 C ATOM 1720 C PRO A 112 12.035 -4.464 5.054 1.00 0.00 C ATOM 1721 O PRO A 112 10.985 -5.076 5.247 1.00 0.00 O ATOM 1722 CB PRO A 112 11.788 -2.497 6.593 1.00 0.00 C ATOM 1723 CG PRO A 112 11.062 -1.205 6.446 1.00 0.00 C ATOM 1724 CD PRO A 112 10.308 -1.270 5.154 1.00 0.00 C ATOM 0 HA PRO A 112 13.077 -2.667 4.807 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.182 -3.234 7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.707 -2.372 7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.381 -1.048 7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.761 -0.368 6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.265 -1.544 5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.310 -0.308 4.641 1.00 0.00 H new ATOM 1732 N ALA A 113 13.178 -5.068 4.747 1.00 0.00 N ATOM 1733 CA ALA A 113 13.267 -6.517 4.619 1.00 0.00 C ATOM 1734 C ALA A 113 12.792 -7.211 5.891 1.00 0.00 C ATOM 1735 O ALA A 113 12.079 -8.214 5.851 1.00 0.00 O ATOM 1736 CB ALA A 113 14.694 -6.931 4.290 1.00 0.00 C ATOM 0 H ALA A 113 14.056 -4.576 4.582 1.00 0.00 H new ATOM 0 HA ALA A 113 12.614 -6.826 3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.746 -8.016 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.999 -6.471 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.361 -6.603 5.087 1.00 0.00 H new ATOM 1742 N PRO A 114 13.195 -6.666 7.048 1.00 0.00 N ATOM 1743 CA PRO A 114 12.822 -7.217 8.355 1.00 0.00 C ATOM 1744 C PRO A 114 11.358 -6.962 8.695 1.00 0.00 C ATOM 1745 O PRO A 114 10.826 -7.527 9.650 1.00 0.00 O ATOM 1746 CB PRO A 114 13.735 -6.469 9.329 1.00 0.00 C ATOM 1747 CG PRO A 114 14.065 -5.192 8.635 1.00 0.00 C ATOM 1748 CD PRO A 114 14.045 -5.470 7.171 1.00 0.00 C ATOM 0 HA PRO A 114 12.937 -8.300 8.388 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.234 -6.285 10.279 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.635 -7.044 9.549 1.00 0.00 H new ATOM 0 HG2 PRO A 114 13.342 -4.417 8.890 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.045 -4.828 8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.635 -4.630 6.611 1.00 0.00 H new ATOM 0 HD3 PRO A 114 15.048 -5.652 6.785 1.00 0.00 H new ATOM 1756 N GLU A 115 10.712 -6.108 7.906 1.00 0.00 N ATOM 1757 CA GLU A 115 9.308 -5.779 8.126 1.00 0.00 C ATOM 1758 C GLU A 115 8.450 -6.251 6.956 1.00 0.00 C ATOM 1759 O GLU A 115 7.221 -6.231 7.027 1.00 0.00 O ATOM 1760 CB GLU A 115 9.139 -4.271 8.321 1.00 0.00 C ATOM 1761 CG GLU A 115 10.116 -3.674 9.320 1.00 0.00 C ATOM 1762 CD GLU A 115 9.628 -3.787 10.752 1.00 0.00 C ATOM 1763 OE1 GLU A 115 9.190 -4.888 11.144 1.00 0.00 O ATOM 1764 OE2 GLU A 115 9.685 -2.773 11.479 1.00 0.00 O ATOM 0 H GLU A 115 11.138 -5.632 7.110 1.00 0.00 H new ATOM 0 HA GLU A 115 8.977 -6.294 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.265 -3.772 7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.121 -4.068 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.078 -4.178 9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.281 -2.624 9.078 1.00 0.00 H new ATOM 1771 N GLU A 116 9.106 -6.674 5.880 1.00 0.00 N ATOM 1772 CA GLU A 116 8.403 -7.149 4.694 1.00 0.00 C ATOM 1773 C GLU A 116 7.163 -7.950 5.081 1.00 0.00 C ATOM 1774 O GLU A 116 6.055 -7.651 4.636 1.00 0.00 O ATOM 1775 CB GLU A 116 9.331 -8.009 3.834 1.00 0.00 C ATOM 1776 CG GLU A 116 8.682 -8.514 2.556 1.00 0.00 C ATOM 1777 CD GLU A 116 9.629 -9.340 1.708 1.00 0.00 C ATOM 1778 OE1 GLU A 116 10.835 -9.016 1.679 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.166 -10.310 1.072 1.00 0.00 O ATOM 0 H GLU A 116 10.123 -6.697 5.805 1.00 0.00 H new ATOM 0 HA GLU A 116 8.088 -6.279 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.216 -7.428 3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.670 -8.862 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 116 7.809 -9.115 2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.326 -7.664 1.974 1.00 0.00 H new ATOM 1786 N GLU A 117 7.359 -8.969 5.912 1.00 0.00 N ATOM 1787 CA GLU A 117 6.257 -9.813 6.358 1.00 0.00 C ATOM 1788 C GLU A 117 5.213 -8.993 7.111 1.00 0.00 C ATOM 1789 O GLU A 117 4.108 -8.771 6.616 1.00 0.00 O ATOM 1790 CB GLU A 117 6.778 -10.940 7.253 1.00 0.00 C ATOM 1791 CG GLU A 117 5.678 -11.714 7.959 1.00 0.00 C ATOM 1792 CD GLU A 117 6.129 -13.091 8.406 1.00 0.00 C ATOM 1793 OE1 GLU A 117 6.713 -13.195 9.506 1.00 0.00 O ATOM 1794 OE2 GLU A 117 5.900 -14.064 7.658 1.00 0.00 O ATOM 0 H GLU A 117 8.270 -9.230 6.290 1.00 0.00 H new ATOM 0 HA GLU A 117 5.786 -10.247 5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.366 -11.630 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.451 -10.518 8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.339 -11.147 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.823 -11.815 7.290 1.00 0.00 H new ATOM 1801 N ARG A 118 5.572 -8.546 8.310 1.00 0.00 N ATOM 1802 CA ARG A 118 4.667 -7.752 9.132 1.00 0.00 C ATOM 1803 C ARG A 118 3.838 -6.805 8.269 1.00 0.00 C ATOM 1804 O ARG A 118 2.615 -6.742 8.395 1.00 0.00 O ATOM 1805 CB ARG A 118 5.455 -6.954 10.172 1.00 0.00 C ATOM 1806 CG ARG A 118 4.589 -6.041 11.024 1.00 0.00 C ATOM 1807 CD ARG A 118 5.393 -4.883 11.593 1.00 0.00 C ATOM 1808 NE ARG A 118 4.541 -3.895 12.250 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.981 -3.033 13.159 1.00 0.00 C ATOM 1810 NH1 ARG A 118 6.257 -3.036 13.517 1.00 0.00 N ATOM 1811 NH2 ARG A 118 4.143 -2.164 13.712 1.00 0.00 N ATOM 0 H ARG A 118 6.483 -8.720 8.734 1.00 0.00 H new ATOM 0 HA ARG A 118 3.990 -8.435 9.645 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.987 -7.648 10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.209 -6.354 9.662 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.766 -5.654 10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.147 -6.614 11.839 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.122 -5.265 12.307 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.953 -4.402 10.791 1.00 0.00 H new ATOM 0 HE ARG A 118 3.553 -3.866 11.996 1.00 0.00 H new ATOM 0 HH11 ARG A 118 6.904 -3.702 13.094 1.00 0.00 H new ATOM 0 HH12 ARG A 118 6.592 -2.373 14.216 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.160 -2.158 13.439 1.00 0.00 H new ATOM 0 HH22 ARG A 118 4.482 -1.502 14.410 1.00 0.00 H new ATOM 1825 N THR A 119 4.513 -6.068 7.392 1.00 0.00 N ATOM 1826 CA THR A 119 3.841 -5.123 6.510 1.00 0.00 C ATOM 1827 C THR A 119 2.785 -5.821 5.659 1.00 0.00 C ATOM 1828 O THR A 119 1.586 -5.626 5.859 1.00 0.00 O ATOM 1829 CB THR A 119 4.843 -4.410 5.582 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.947 -3.911 6.344 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.172 -3.264 4.840 1.00 0.00 C ATOM 0 H THR A 119 5.525 -6.108 7.274 1.00 0.00 H new ATOM 0 HA THR A 119 3.359 -4.383 7.148 1.00 0.00 H new ATOM 0 HB THR A 119 5.205 -5.133 4.851 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.571 -4.643 6.534 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.899 -2.776 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.351 -3.652 4.238 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.785 -2.542 5.559 1.00 0.00 H new ATOM 1839 N ARG A 120 3.239 -6.633 4.710 1.00 0.00 N ATOM 1840 CA ARG A 120 2.333 -7.359 3.829 1.00 0.00 C ATOM 1841 C ARG A 120 1.342 -8.194 4.635 1.00 0.00 C ATOM 1842 O ARG A 120 0.340 -8.670 4.103 1.00 0.00 O ATOM 1843 CB ARG A 120 3.124 -8.263 2.881 1.00 0.00 C ATOM 1844 CG ARG A 120 2.445 -8.481 1.539 1.00 0.00 C ATOM 1845 CD ARG A 120 3.203 -9.488 0.688 1.00 0.00 C ATOM 1846 NE ARG A 120 2.319 -10.210 -0.223 1.00 0.00 N ATOM 1847 CZ ARG A 120 2.660 -11.337 -0.838 1.00 0.00 C ATOM 1848 NH1 ARG A 120 3.859 -11.868 -0.640 1.00 0.00 N ATOM 1849 NH2 ARG A 120 1.800 -11.936 -1.652 1.00 0.00 N ATOM 0 H ARG A 120 4.229 -6.804 4.532 1.00 0.00 H new ATOM 0 HA ARG A 120 1.775 -6.629 3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.109 -7.827 2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 120 3.281 -9.229 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.426 -8.832 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.376 -7.532 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.972 -8.971 0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.714 -10.199 1.337 1.00 0.00 H new ATOM 0 HE ARG A 120 1.389 -9.828 -0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.522 -11.411 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 120 4.118 -12.733 -1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.877 -11.531 -1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 120 2.062 -12.801 -2.124 1.00 0.00 H new ATOM 1863 N GLN A 121 1.631 -8.366 5.921 1.00 0.00 N ATOM 1864 CA GLN A 121 0.765 -9.144 6.800 1.00 0.00 C ATOM 1865 C GLN A 121 -0.399 -8.299 7.306 1.00 0.00 C ATOM 1866 O GLN A 121 -1.523 -8.783 7.430 1.00 0.00 O ATOM 1867 CB GLN A 121 1.565 -9.692 7.983 1.00 0.00 C ATOM 1868 CG GLN A 121 2.435 -10.887 7.628 1.00 0.00 C ATOM 1869 CD GLN A 121 1.627 -12.147 7.390 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.661 -12.423 8.102 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.019 -12.920 6.384 1.00 0.00 N ATOM 0 H GLN A 121 2.457 -7.978 6.377 1.00 0.00 H new ATOM 0 HA GLN A 121 0.361 -9.978 6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.197 -8.899 8.382 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.875 -9.979 8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 121 3.014 -10.657 6.734 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.148 -11.064 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.825 -12.653 5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.514 -13.781 6.176 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.121 -7.031 7.597 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.155 -6.139 8.086 1.00 0.00 C ATOM 1882 C GLY A 122 -1.468 -5.023 7.109 1.00 0.00 C ATOM 1883 O GLY A 122 -1.997 -3.981 7.495 1.00 0.00 O ATOM 0 H GLY A 122 0.802 -6.607 7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.062 -6.711 8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.839 -5.708 9.036 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.141 -5.242 5.840 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.390 -4.245 4.805 1.00 0.00 C ATOM 1889 C TRP A 123 -2.781 -4.418 4.206 1.00 0.00 C ATOM 1890 O TRP A 123 -3.651 -3.566 4.381 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.331 -4.347 3.705 1.00 0.00 C ATOM 1892 CG TRP A 123 -0.017 -3.032 3.059 1.00 0.00 C ATOM 1893 CD1 TRP A 123 0.921 -2.124 3.462 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.643 -2.476 1.898 1.00 0.00 C ATOM 1895 NE1 TRP A 123 0.916 -1.038 2.620 1.00 0.00 N ATOM 1896 CE2 TRP A 123 -0.034 -1.230 1.652 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.657 -2.911 1.040 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.408 -0.416 0.586 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -2.027 -2.102 -0.018 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.403 -0.867 -0.238 1.00 0.00 C ATOM 0 H TRP A 123 -0.703 -6.100 5.504 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.333 -3.258 5.264 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.583 -4.763 4.128 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.676 -5.045 2.942 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.571 -2.242 4.317 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.522 -0.221 2.702 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.143 -3.862 1.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.070 0.537 0.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.810 -2.427 -0.686 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.714 -0.259 -1.075 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.983 -5.526 3.499 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.270 -5.808 2.874 1.00 0.00 C ATOM 1913 C GLN A 124 -5.342 -6.066 3.928 1.00 0.00 C ATOM 1914 O GLN A 124 -6.515 -5.755 3.722 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.153 -7.016 1.942 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.270 -6.766 0.730 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.433 -7.974 0.360 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.753 -8.701 -0.582 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.353 -8.196 1.100 1.00 0.00 N ATOM 0 H GLN A 124 -2.273 -6.242 3.345 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.562 -4.935 2.291 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.754 -7.861 2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.149 -7.301 1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.895 -6.488 -0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.612 -5.921 0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.125 -7.568 1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.751 -8.994 0.897 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.931 -6.635 5.056 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.856 -6.936 6.142 1.00 0.00 C ATOM 1930 C ARG A 125 -6.740 -5.732 6.452 1.00 0.00 C ATOM 1931 O ARG A 125 -7.844 -5.878 6.978 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.087 -7.353 7.396 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.834 -8.850 7.486 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.767 -9.317 8.932 1.00 0.00 C ATOM 1935 NE ARG A 125 -6.091 -9.610 9.474 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.296 -10.381 10.537 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -5.269 -10.932 11.168 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -7.531 -10.600 10.970 1.00 0.00 N ATOM 0 H ARG A 125 -3.963 -6.897 5.242 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.493 -7.761 5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.131 -6.830 7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.644 -7.034 8.277 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.627 -9.386 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.900 -9.093 6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -4.143 -10.209 8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -4.288 -8.549 9.539 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.903 -9.201 9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.318 -10.765 10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.429 -11.523 11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.323 -10.177 10.487 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -7.688 -11.192 11.786 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.248 -4.543 6.121 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.992 -3.313 6.367 1.00 0.00 C ATOM 1954 C TYR A 126 -7.263 -2.571 5.062 1.00 0.00 C ATOM 1955 O TYR A 126 -8.304 -1.933 4.902 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.220 -2.409 7.330 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.407 -3.169 8.354 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.932 -4.280 9.001 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.113 -2.776 8.672 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.193 -4.977 9.938 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.366 -3.468 9.606 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.911 -4.567 10.237 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.171 -5.259 11.168 1.00 0.00 O ATOM 0 H TYR A 126 -5.338 -4.405 5.682 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.948 -3.580 6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.554 -1.765 6.756 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.925 -1.758 7.848 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.935 -4.605 8.768 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.684 -1.915 8.181 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.617 -5.838 10.433 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.361 -3.150 9.841 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.289 -4.841 11.261 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.319 -2.659 4.132 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.454 -1.995 2.841 1.00 0.00 C ATOM 1975 C TYR A 127 -7.603 -2.596 2.037 1.00 0.00 C ATOM 1976 O TYR A 127 -8.614 -1.938 1.789 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.151 -2.105 2.048 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.312 -0.848 2.085 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.984 -0.242 3.292 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.846 -0.265 0.912 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.219 0.907 3.329 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -3.079 0.883 0.941 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.769 1.466 2.152 1.00 0.00 C ATOM 1984 OH TYR A 127 -2.005 2.610 2.185 1.00 0.00 O ATOM 0 H TYR A 127 -5.452 -3.184 4.248 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.673 -0.943 3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.565 -2.935 2.442 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.386 -2.345 1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.333 -0.677 4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.088 -0.718 -0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.974 1.366 4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.724 1.322 0.020 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.214 2.459 2.744 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.440 -3.851 1.631 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.463 -4.542 0.855 1.00 0.00 C ATOM 1996 C PHE A 128 -9.394 -5.337 1.766 1.00 0.00 C ATOM 1997 O PHE A 128 -10.570 -5.006 1.909 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.812 -5.476 -0.168 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.599 -4.888 -0.830 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.404 -3.517 -0.856 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.654 -5.707 -1.427 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.288 -2.972 -1.464 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.537 -5.168 -2.037 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.354 -3.799 -2.056 1.00 0.00 C ATOM 0 H PHE A 128 -6.609 -4.410 1.826 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.053 -3.792 0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.531 -6.405 0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.545 -5.732 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.132 -2.866 -0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.792 -6.778 -1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.147 -1.901 -1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.808 -5.817 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.482 -3.376 -2.533 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.857 -6.388 2.379 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.640 -7.231 3.275 1.00 0.00 C ATOM 2016 C GLU A 129 -10.696 -6.410 4.010 1.00 0.00 C ATOM 2017 O GLU A 129 -11.803 -6.884 4.259 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.725 -7.926 4.286 1.00 0.00 C ATOM 2019 CG GLU A 129 -8.000 -9.135 3.718 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.868 -10.377 3.692 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -10.046 -10.269 3.289 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -8.372 -11.457 4.074 1.00 0.00 O ATOM 0 H GLU A 129 -7.884 -6.675 2.271 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.145 -7.986 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -7.989 -7.209 4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.318 -8.239 5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.664 -8.910 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -7.108 -9.332 4.313 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.343 -5.175 4.355 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.271 -4.308 5.058 1.00 0.00 C ATOM 2031 C GLY A 130 -12.366 -3.777 4.155 1.00 0.00 C ATOM 2032 O GLY A 130 -13.526 -4.172 4.277 1.00 0.00 O ATOM 0 H GLY A 130 -9.432 -4.760 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.721 -4.857 5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.724 -3.471 5.491 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.999 -2.878 3.248 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.960 -2.292 2.321 1.00 0.00 C ATOM 2038 C ILE A 131 -13.854 -3.363 1.706 1.00 0.00 C ATOM 2039 O ILE A 131 -15.071 -3.200 1.624 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.254 -1.518 1.193 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.369 -0.414 1.777 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.277 -0.930 0.232 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.393 0.170 0.780 1.00 0.00 C ATOM 0 H ILE A 131 -11.043 -2.539 3.135 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.572 -1.599 2.898 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.621 -2.211 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -12.004 0.384 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.813 -0.815 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.762 -0.386 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.869 -1.734 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.934 -0.249 0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.799 0.946 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.733 -0.616 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.942 0.602 -0.057 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.241 -4.461 1.275 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.980 -5.562 0.669 1.00 0.00 C ATOM 2057 C LYS A 132 -15.196 -5.931 1.513 1.00 0.00 C ATOM 2058 O LYS A 132 -16.226 -6.347 0.984 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.072 -6.783 0.503 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.025 -6.618 -0.584 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.194 -7.879 -0.754 1.00 0.00 C ATOM 2062 CE LYS A 132 -11.771 -8.787 -1.829 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.808 -9.847 -2.236 1.00 0.00 N ATOM 0 H LYS A 132 -12.234 -4.612 1.334 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.326 -5.238 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.572 -6.985 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.686 -7.654 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.514 -6.373 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.372 -5.781 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.171 -7.609 -1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.150 -8.417 0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -12.686 -9.250 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -12.044 -8.191 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -11.331 -10.675 -2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -10.190 -9.484 -2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -10.229 -10.123 -1.417 1.00 0.00 H new ATOM 2077 N GLN A 133 -15.069 -5.773 2.826 1.00 0.00 N ATOM 2078 CA GLN A 133 -16.159 -6.089 3.742 1.00 0.00 C ATOM 2079 C GLN A 133 -16.931 -4.831 4.124 1.00 0.00 C ATOM 2080 O GLN A 133 -18.149 -4.761 3.957 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.615 -6.770 5.000 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.941 -8.105 4.726 1.00 0.00 C ATOM 2083 CD GLN A 133 -15.050 -9.064 5.895 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.422 -8.867 6.935 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.852 -10.110 5.729 1.00 0.00 N ATOM 0 H GLN A 133 -14.223 -5.428 3.280 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.841 -6.771 3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.900 -6.104 5.483 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.434 -6.923 5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -15.391 -8.561 3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.889 -7.936 4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -16.353 -10.234 4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.966 -10.789 6.481 1.00 0.00 H new ATOM 2094 N THR A 134 -16.215 -3.836 4.640 1.00 0.00 N ATOM 2095 CA THR A 134 -16.832 -2.581 5.047 1.00 0.00 C ATOM 2096 C THR A 134 -17.695 -2.005 3.930 1.00 0.00 C ATOM 2097 O THR A 134 -18.874 -1.713 4.131 1.00 0.00 O ATOM 2098 CB THR A 134 -15.773 -1.539 5.452 1.00 0.00 C ATOM 2099 OG1 THR A 134 -15.033 -2.006 6.585 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.424 -0.204 5.781 1.00 0.00 C ATOM 0 H THR A 134 -15.206 -3.876 4.786 1.00 0.00 H new ATOM 0 HA THR A 134 -17.460 -2.803 5.910 1.00 0.00 H new ATOM 0 HB THR A 134 -15.096 -1.397 4.610 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.377 -1.581 7.398 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.656 0.515 6.064 1.00 0.00 H new ATOM 0 HG22 THR A 134 -16.961 0.164 4.907 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.122 -0.334 6.608 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.100 -1.843 2.753 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.815 -1.301 1.603 1.00 0.00 C ATOM 2110 C PHE A 135 -18.490 -2.415 0.808 1.00 0.00 C ATOM 2111 O PHE A 135 -19.449 -2.176 0.076 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.856 -0.523 0.700 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.354 0.752 1.315 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.581 0.725 2.464 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.656 1.978 0.744 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.119 1.897 3.033 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.197 3.153 1.307 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.426 3.113 2.453 1.00 0.00 C ATOM 0 H PHE A 135 -16.125 -2.079 2.570 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.585 -0.624 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.005 -1.158 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.361 -0.290 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.336 -0.223 2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.258 2.015 -0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.519 1.862 3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.440 4.102 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.064 4.030 2.894 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.981 -3.634 0.958 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.545 -4.766 0.248 1.00 0.00 C ATOM 2130 C GLY A 136 -18.030 -4.875 -1.173 1.00 0.00 C ATOM 2131 O GLY A 136 -18.806 -5.073 -2.109 1.00 0.00 O ATOM 0 H GLY A 136 -17.188 -3.857 1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.309 -5.683 0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.631 -4.676 0.231 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.719 -4.743 -1.337 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.101 -4.823 -2.656 1.00 0.00 C ATOM 2137 C TYR A 137 -15.316 -6.122 -2.811 1.00 0.00 C ATOM 2138 O TYR A 137 -14.447 -6.236 -3.675 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.179 -3.625 -2.883 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.880 -2.290 -2.771 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.261 -2.197 -2.895 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.163 -1.123 -2.543 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.907 -0.980 -2.794 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.800 0.098 -2.439 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.172 0.165 -2.566 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.810 1.380 -2.464 1.00 0.00 O ATOM 0 H TYR A 137 -16.063 -4.580 -0.573 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.894 -4.808 -3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.366 -3.661 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.728 -3.707 -3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.839 -3.092 -3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.088 -1.171 -2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.981 -0.925 -2.893 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.227 0.996 -2.259 1.00 0.00 H new ATOM 0 HH TYR A 137 -18.447 1.354 -1.720 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.628 -7.100 -1.966 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.943 -8.378 -2.025 1.00 0.00 C ATOM 2158 C GLY A 138 -15.752 -9.436 -2.749 1.00 0.00 C ATOM 2159 O GLY A 138 -16.959 -9.284 -2.936 1.00 0.00 O ATOM 0 H GLY A 138 -16.343 -7.030 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -13.985 -8.250 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.728 -8.719 -1.012 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.087 -10.511 -3.158 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.752 -11.599 -3.864 1.00 0.00 C ATOM 2165 C ALA A 139 -15.620 -12.912 -3.100 1.00 0.00 C ATOM 2166 O ALA A 139 -16.601 -13.630 -2.906 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.182 -11.744 -5.267 1.00 0.00 C ATOM 0 H ALA A 139 -14.087 -10.652 -3.012 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.812 -11.356 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.688 -12.560 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.334 -10.817 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.115 -11.959 -5.206 1.00 0.00 H new