USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 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 54 CYS SG : rot 110:sc= -3.18 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 156:sc= -1.4 (180deg=-3.02!) USER MOD Set 2.1: A 42 THR OG1 : rot 135:sc= 1.22 USER MOD Set 2.2: A 44 THR OG1 : rot -44:sc= 2.63 USER MOD Set 3.1: A 25 TYR OH : rot 97:sc= 0.205 USER MOD Set 3.2: A 35 GLN : amide:sc= -0.407 K(o=-1.3,f=-0.14) USER MOD Set 3.3: A 39 ASN : amide:sc= -1.98 K(o=-1.3,f=0.26) USER MOD Set 3.4: A 48 GLN : amide:sc= 0.564 K(o=-1.3,f=-0.14) USER MOD Set 3.5: A 72 THR OG1 : rot -111:sc= 0.329 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.185 (180deg=-0.0274) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -166:sc= 1.28 USER MOD Single : A 5 SER OG : rot -167:sc= 1.48 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 1.04 (180deg=0.785) USER MOD Single : A 20 TYR OH : rot 130:sc= -0.0116 USER MOD Single : A 26 LYS NZ :NH3+ -136:sc= 0.285 (180deg=-2.54!) USER MOD Single : A 27 THR OG1 : rot -140:sc= -0.0357 USER MOD Single : A 32 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.94) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= 1.85 (180deg=1.28) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.63 K(o=-0.63,f=-8.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= 1.3 (180deg=1.24) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -140:sc= -0.922 (180deg=-2.57) USER MOD Single : A 74 CYS SG : rot -104:sc= 0.855 USER MOD Single : A 75 GLN : amide:sc= 0.791 K(o=0.79,f=-0.17) USER MOD Single : A 82 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.19) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.403 -1.209 -11.389 1.00 0.00 N ATOM 2 CA MET A 1 5.470 -2.074 -10.624 1.00 0.00 C ATOM 3 C MET A 1 5.788 -1.940 -9.140 1.00 0.00 C ATOM 4 O MET A 1 6.847 -1.411 -8.831 1.00 0.00 O ATOM 5 CB MET A 1 5.595 -3.550 -11.041 1.00 0.00 C ATOM 6 CG MET A 1 5.151 -3.818 -12.482 1.00 0.00 C ATOM 7 SD MET A 1 5.325 -5.561 -12.931 1.00 0.00 S ATOM 8 CE MET A 1 4.680 -5.539 -14.625 1.00 0.00 C ATOM 0 H1 MET A 1 5.866 -0.462 -11.873 1.00 0.00 H new ATOM 0 H2 MET A 1 7.088 -0.776 -10.737 1.00 0.00 H new ATOM 0 H3 MET A 1 6.910 -1.783 -12.093 1.00 0.00 H new ATOM 0 HA MET A 1 4.449 -1.753 -10.833 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.632 -3.866 -10.924 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.997 -4.162 -10.365 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.111 -3.514 -12.603 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.743 -3.207 -13.163 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.720 -6.545 -15.043 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.647 -5.191 -14.617 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.284 -4.868 -15.236 1.00 0.00 H new ATOM 20 N SER A 2 4.930 -2.441 -8.249 1.00 0.00 N ATOM 21 CA SER A 2 5.224 -2.567 -6.814 1.00 0.00 C ATOM 22 C SER A 2 4.767 -3.951 -6.337 1.00 0.00 C ATOM 23 O SER A 2 3.561 -4.194 -6.328 1.00 0.00 O ATOM 24 CB SER A 2 4.527 -1.471 -6.001 1.00 0.00 C ATOM 25 OG SER A 2 5.052 -1.461 -4.691 1.00 0.00 O ATOM 0 H SER A 2 4.000 -2.775 -8.503 1.00 0.00 H new ATOM 0 HA SER A 2 6.297 -2.453 -6.663 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.677 -0.500 -6.473 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.452 -1.650 -5.974 1.00 0.00 H new ATOM 0 HG SER A 2 4.611 -0.760 -4.167 1.00 0.00 H new ATOM 31 N PRO A 3 5.685 -4.891 -6.049 1.00 0.00 N ATOM 32 CA PRO A 3 5.346 -6.174 -5.443 1.00 0.00 C ATOM 33 C PRO A 3 5.175 -6.047 -3.918 1.00 0.00 C ATOM 34 O PRO A 3 5.513 -5.030 -3.319 1.00 0.00 O ATOM 35 CB PRO A 3 6.534 -7.076 -5.795 1.00 0.00 C ATOM 36 CG PRO A 3 7.719 -6.112 -5.744 1.00 0.00 C ATOM 37 CD PRO A 3 7.126 -4.794 -6.248 1.00 0.00 C ATOM 0 HA PRO A 3 4.398 -6.569 -5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.646 -7.893 -5.082 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.421 -7.527 -6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 3 8.114 -6.014 -4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.540 -6.451 -6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.538 -3.947 -5.699 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.364 -4.638 -7.300 1.00 0.00 H new ATOM 45 N THR A 4 4.702 -7.122 -3.290 1.00 0.00 N ATOM 46 CA THR A 4 4.676 -7.312 -1.830 1.00 0.00 C ATOM 47 C THR A 4 4.698 -8.817 -1.519 1.00 0.00 C ATOM 48 O THR A 4 4.449 -9.639 -2.410 1.00 0.00 O ATOM 49 CB THR A 4 3.478 -6.590 -1.182 1.00 0.00 C ATOM 50 OG1 THR A 4 3.572 -6.703 0.219 1.00 0.00 O ATOM 51 CG2 THR A 4 2.117 -7.116 -1.641 1.00 0.00 C ATOM 0 H THR A 4 4.311 -7.916 -3.797 1.00 0.00 H new ATOM 0 HA THR A 4 5.564 -6.857 -1.391 1.00 0.00 H new ATOM 0 HB THR A 4 3.532 -5.549 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.717 -6.450 0.626 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.324 -6.559 -1.142 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.024 -6.992 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.032 -8.173 -1.389 1.00 0.00 H new ATOM 59 N SER A 5 5.034 -9.183 -0.279 1.00 0.00 N ATOM 60 CA SER A 5 4.898 -10.562 0.215 1.00 0.00 C ATOM 61 C SER A 5 3.466 -10.803 0.720 1.00 0.00 C ATOM 62 O SER A 5 2.516 -10.131 0.321 1.00 0.00 O ATOM 63 CB SER A 5 5.967 -10.885 1.275 1.00 0.00 C ATOM 64 OG SER A 5 6.011 -12.289 1.481 1.00 0.00 O ATOM 0 H SER A 5 5.408 -8.534 0.413 1.00 0.00 H new ATOM 0 HA SER A 5 5.073 -11.253 -0.610 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.942 -10.523 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.735 -10.375 2.210 1.00 0.00 H new ATOM 0 HG SER A 5 6.535 -12.485 2.286 1.00 0.00 H new ATOM 70 N ILE A 6 3.261 -11.819 1.551 1.00 0.00 N ATOM 71 CA ILE A 6 1.959 -12.149 2.154 1.00 0.00 C ATOM 72 C ILE A 6 1.559 -11.126 3.206 1.00 0.00 C ATOM 73 O ILE A 6 0.380 -10.844 3.363 1.00 0.00 O ATOM 74 CB ILE A 6 1.949 -13.579 2.737 1.00 0.00 C ATOM 75 CG1 ILE A 6 2.444 -13.722 4.195 1.00 0.00 C ATOM 76 CG2 ILE A 6 2.795 -14.483 1.838 1.00 0.00 C ATOM 77 CD1 ILE A 6 1.323 -13.558 5.228 1.00 0.00 C ATOM 0 H ILE A 6 4.007 -12.454 1.835 1.00 0.00 H new ATOM 0 HA ILE A 6 1.216 -12.114 1.357 1.00 0.00 H new ATOM 0 HB ILE A 6 0.899 -13.869 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.906 -14.701 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.217 -12.977 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.796 -15.497 2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.375 -14.491 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.817 -14.106 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.734 -13.669 6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.876 -12.569 5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.561 -14.319 5.062 1.00 0.00 H new ATOM 89 N LEU A 7 2.557 -10.583 3.911 1.00 0.00 N ATOM 90 CA LEU A 7 2.471 -9.709 5.098 1.00 0.00 C ATOM 91 C LEU A 7 1.679 -8.396 4.923 1.00 0.00 C ATOM 92 O LEU A 7 1.583 -7.601 5.853 1.00 0.00 O ATOM 93 CB LEU A 7 3.899 -9.510 5.645 1.00 0.00 C ATOM 94 CG LEU A 7 4.885 -8.788 4.700 1.00 0.00 C ATOM 95 CD1 LEU A 7 4.804 -7.266 4.800 1.00 0.00 C ATOM 96 CD2 LEU A 7 6.319 -9.200 5.043 1.00 0.00 C ATOM 0 H LEU A 7 3.528 -10.754 3.649 1.00 0.00 H new ATOM 0 HA LEU A 7 1.852 -10.218 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.836 -8.945 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.312 -10.488 5.893 1.00 0.00 H new ATOM 0 HG LEU A 7 4.609 -9.080 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.521 -6.818 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.798 -6.937 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.036 -6.955 5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.014 -8.690 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.539 -8.926 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.426 -10.278 4.923 1.00 0.00 H new ATOM 108 N ASP A 8 1.111 -8.208 3.735 1.00 0.00 N ATOM 109 CA ASP A 8 0.113 -7.191 3.381 1.00 0.00 C ATOM 110 C ASP A 8 -1.255 -7.513 4.029 1.00 0.00 C ATOM 111 O ASP A 8 -2.122 -6.649 4.146 1.00 0.00 O ATOM 112 CB ASP A 8 -0.024 -7.172 1.842 1.00 0.00 C ATOM 113 CG ASP A 8 0.279 -5.807 1.215 1.00 0.00 C ATOM 114 OD1 ASP A 8 1.479 -5.442 1.195 1.00 0.00 O ATOM 115 OD2 ASP A 8 -0.657 -5.198 0.652 1.00 0.00 O ATOM 0 H ASP A 8 1.348 -8.799 2.938 1.00 0.00 H new ATOM 0 HA ASP A 8 0.434 -6.217 3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.650 -7.915 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.037 -7.469 1.572 1.00 0.00 H new ATOM 120 N ILE A 9 -1.458 -8.765 4.469 1.00 0.00 N ATOM 121 CA ILE A 9 -2.681 -9.257 5.104 1.00 0.00 C ATOM 122 C ILE A 9 -2.410 -9.797 6.513 1.00 0.00 C ATOM 123 O ILE A 9 -1.276 -10.006 6.943 1.00 0.00 O ATOM 124 CB ILE A 9 -3.393 -10.310 4.226 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.712 -11.699 4.222 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.598 -9.792 2.790 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.700 -12.804 3.846 1.00 0.00 C ATOM 0 H ILE A 9 -0.743 -9.488 4.387 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.354 -8.406 5.206 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.367 -10.462 4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.881 -11.696 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.293 -11.903 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.101 -10.555 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.208 -8.889 2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.630 -9.565 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.189 -13.767 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.517 -12.822 4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.099 -12.612 2.850 1.00 0.00 H new ATOM 139 N ARG A 10 -3.482 -10.122 7.244 1.00 0.00 N ATOM 140 CA ARG A 10 -3.371 -10.864 8.504 1.00 0.00 C ATOM 141 C ARG A 10 -2.882 -12.301 8.315 1.00 0.00 C ATOM 142 O ARG A 10 -3.307 -13.012 7.409 1.00 0.00 O ATOM 143 CB ARG A 10 -4.710 -10.865 9.265 1.00 0.00 C ATOM 144 CG ARG A 10 -5.934 -11.472 8.541 1.00 0.00 C ATOM 145 CD ARG A 10 -6.028 -13.017 8.580 1.00 0.00 C ATOM 146 NE ARG A 10 -7.427 -13.504 8.595 1.00 0.00 N ATOM 147 CZ ARG A 10 -8.269 -13.456 9.612 1.00 0.00 C ATOM 148 NH1 ARG A 10 -7.879 -13.088 10.803 1.00 0.00 N ATOM 149 NH2 ARG A 10 -9.526 -13.760 9.437 1.00 0.00 N ATOM 0 H ARG A 10 -4.438 -9.882 6.983 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.617 -10.341 9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.567 -11.408 10.199 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.950 -9.835 9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.840 -11.058 8.985 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.914 -11.152 7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.513 -13.430 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.509 -13.386 9.465 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.776 -13.919 7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.905 -12.830 10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.548 -13.059 11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.860 -14.035 8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.174 -13.722 10.224 1.00 0.00 H new ATOM 163 N GLN A 11 -2.060 -12.747 9.253 1.00 0.00 N ATOM 164 CA GLN A 11 -1.780 -14.156 9.467 1.00 0.00 C ATOM 165 C GLN A 11 -2.840 -14.699 10.445 1.00 0.00 C ATOM 166 O GLN A 11 -3.597 -13.956 11.076 1.00 0.00 O ATOM 167 CB GLN A 11 -0.343 -14.363 9.973 1.00 0.00 C ATOM 168 CG GLN A 11 -0.061 -13.735 11.349 1.00 0.00 C ATOM 169 CD GLN A 11 1.359 -14.013 11.837 1.00 0.00 C ATOM 170 OE1 GLN A 11 1.913 -15.080 11.654 1.00 0.00 O ATOM 171 NE2 GLN A 11 2.006 -13.072 12.486 1.00 0.00 N ATOM 0 H GLN A 11 -1.562 -12.130 9.895 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.842 -14.710 8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.139 -15.432 10.026 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.351 -13.942 9.245 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.218 -12.658 11.293 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.774 -14.124 12.076 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.562 -12.169 12.651 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.953 -13.244 12.824 1.00 0.00 H new ATOM 180 N GLY A 12 -2.886 -16.014 10.575 1.00 0.00 N ATOM 181 CA GLY A 12 -3.743 -16.733 11.521 1.00 0.00 C ATOM 182 C GLY A 12 -4.169 -18.124 11.049 1.00 0.00 C ATOM 183 O GLY A 12 -5.367 -18.377 10.957 1.00 0.00 O ATOM 0 H GLY A 12 -2.311 -16.638 10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.216 -16.829 12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.636 -16.137 11.711 1.00 0.00 H new ATOM 187 N PRO A 13 -3.221 -19.036 10.777 1.00 0.00 N ATOM 188 CA PRO A 13 -3.482 -20.371 10.224 1.00 0.00 C ATOM 189 C PRO A 13 -4.308 -21.318 11.115 1.00 0.00 C ATOM 190 O PRO A 13 -4.679 -22.395 10.661 1.00 0.00 O ATOM 191 CB PRO A 13 -2.088 -20.963 9.982 1.00 0.00 C ATOM 192 CG PRO A 13 -1.207 -20.243 10.996 1.00 0.00 C ATOM 193 CD PRO A 13 -1.802 -18.851 11.041 1.00 0.00 C ATOM 0 HA PRO A 13 -4.099 -20.268 9.331 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.079 -22.042 10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.750 -20.786 8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.238 -20.727 11.972 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.163 -20.225 10.682 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.639 -18.384 12.012 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.344 -18.202 10.295 1.00 0.00 H new ATOM 201 N LYS A 14 -4.577 -20.950 12.378 1.00 0.00 N ATOM 202 CA LYS A 14 -5.153 -21.834 13.418 1.00 0.00 C ATOM 203 C LYS A 14 -6.504 -22.480 13.099 1.00 0.00 C ATOM 204 O LYS A 14 -6.877 -23.459 13.731 1.00 0.00 O ATOM 205 CB LYS A 14 -5.241 -21.093 14.763 1.00 0.00 C ATOM 206 CG LYS A 14 -6.330 -20.003 14.851 1.00 0.00 C ATOM 207 CD LYS A 14 -6.413 -19.422 16.272 1.00 0.00 C ATOM 208 CE LYS A 14 -7.602 -18.464 16.453 1.00 0.00 C ATOM 209 NZ LYS A 14 -8.879 -19.173 16.727 1.00 0.00 N ATOM 0 H LYS A 14 -4.397 -20.005 12.718 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.453 -22.668 13.464 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.420 -21.825 15.550 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.274 -20.634 14.969 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.110 -19.206 14.140 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.295 -20.424 14.569 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.497 -20.238 16.989 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.487 -18.893 16.498 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.389 -17.779 17.274 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.714 -17.858 15.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.565 -18.507 17.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.258 -19.561 15.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.708 -19.949 17.399 1.00 0.00 H new ATOM 223 N GLU A 15 -7.247 -21.892 12.173 1.00 0.00 N ATOM 224 CA GLU A 15 -8.575 -22.377 11.785 1.00 0.00 C ATOM 225 C GLU A 15 -8.909 -22.227 10.293 1.00 0.00 C ATOM 226 O GLU A 15 -9.245 -23.247 9.690 1.00 0.00 O ATOM 227 CB GLU A 15 -9.658 -21.687 12.623 1.00 0.00 C ATOM 228 CG GLU A 15 -9.776 -22.213 14.051 1.00 0.00 C ATOM 229 CD GLU A 15 -10.950 -21.493 14.694 1.00 0.00 C ATOM 230 OE1 GLU A 15 -12.092 -21.946 14.456 1.00 0.00 O ATOM 231 OE2 GLU A 15 -10.682 -20.444 15.323 1.00 0.00 O ATOM 0 H GLU A 15 -6.949 -21.060 11.663 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.553 -23.449 11.980 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.448 -20.618 12.658 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.619 -21.807 12.123 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.937 -23.291 14.053 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.858 -22.027 14.608 1.00 0.00 H new ATOM 238 N PRO A 16 -8.811 -21.037 9.661 1.00 0.00 N ATOM 239 CA PRO A 16 -9.146 -20.843 8.245 1.00 0.00 C ATOM 240 C PRO A 16 -8.009 -21.339 7.336 1.00 0.00 C ATOM 241 O PRO A 16 -7.581 -20.605 6.453 1.00 0.00 O ATOM 242 CB PRO A 16 -9.388 -19.327 8.117 1.00 0.00 C ATOM 243 CG PRO A 16 -8.384 -18.748 9.106 1.00 0.00 C ATOM 244 CD PRO A 16 -8.460 -19.749 10.253 1.00 0.00 C ATOM 0 HA PRO A 16 -10.020 -21.414 7.932 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.209 -18.972 7.102 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.412 -19.057 8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.382 -18.688 8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.657 -17.742 9.423 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.506 -19.811 10.777 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.207 -19.443 10.985 1.00 0.00 H new ATOM 252 N PHE A 17 -7.463 -22.544 7.562 1.00 0.00 N ATOM 253 CA PHE A 17 -6.203 -22.955 6.936 1.00 0.00 C ATOM 254 C PHE A 17 -6.151 -22.737 5.422 1.00 0.00 C ATOM 255 O PHE A 17 -5.347 -21.921 4.987 1.00 0.00 O ATOM 256 CB PHE A 17 -5.764 -24.374 7.359 1.00 0.00 C ATOM 257 CG PHE A 17 -4.253 -24.634 7.368 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.371 -23.669 7.903 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.715 -25.868 6.930 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.000 -23.934 8.029 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.332 -26.127 7.051 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.480 -25.163 7.619 1.00 0.00 C ATOM 0 H PHE A 17 -7.876 -23.248 8.173 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.455 -22.270 7.334 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.153 -24.571 8.358 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.233 -25.093 6.687 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.759 -22.712 8.220 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.366 -26.615 6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.343 -23.184 8.445 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.928 -27.067 6.707 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.427 -25.373 7.738 1.00 0.00 H new ATOM 272 N ARG A 18 -7.012 -23.360 4.596 1.00 0.00 N ATOM 273 CA ARG A 18 -6.931 -23.257 3.136 1.00 0.00 C ATOM 274 C ARG A 18 -7.443 -21.917 2.604 1.00 0.00 C ATOM 275 O ARG A 18 -6.863 -21.346 1.685 1.00 0.00 O ATOM 276 CB ARG A 18 -7.631 -24.491 2.567 1.00 0.00 C ATOM 277 CG ARG A 18 -9.145 -24.497 2.812 1.00 0.00 C ATOM 278 CD ARG A 18 -9.768 -23.776 1.636 1.00 0.00 C ATOM 279 NE ARG A 18 -11.180 -23.462 1.838 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.082 -23.361 0.891 1.00 0.00 C ATOM 281 NH1 ARG A 18 -11.934 -23.926 -0.279 1.00 0.00 N ATOM 282 NH2 ARG A 18 -13.140 -22.642 1.107 1.00 0.00 N ATOM 0 H ARG A 18 -7.779 -23.946 4.925 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.895 -23.255 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.443 -24.544 1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.194 -25.385 3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.523 -25.517 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.389 -23.996 3.749 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.219 -22.852 1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.663 -24.392 0.743 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.491 -23.308 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.094 -24.468 -0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.658 -23.824 -0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.260 -22.167 2.002 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.852 -22.552 0.382 1.00 0.00 H new ATOM 296 N ASP A 19 -8.468 -21.388 3.272 1.00 0.00 N ATOM 297 CA ASP A 19 -9.040 -20.038 3.127 1.00 0.00 C ATOM 298 C ASP A 19 -8.012 -18.918 3.393 1.00 0.00 C ATOM 299 O ASP A 19 -8.288 -17.731 3.206 1.00 0.00 O ATOM 300 CB ASP A 19 -10.251 -19.908 4.071 1.00 0.00 C ATOM 301 CG ASP A 19 -11.208 -21.094 3.931 1.00 0.00 C ATOM 302 OD1 ASP A 19 -10.899 -22.166 4.496 1.00 0.00 O ATOM 303 OD2 ASP A 19 -12.151 -21.033 3.111 1.00 0.00 O ATOM 0 H ASP A 19 -8.961 -21.928 3.983 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.355 -19.913 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.903 -19.841 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.784 -18.983 3.854 1.00 0.00 H new ATOM 308 N TYR A 20 -6.797 -19.332 3.764 1.00 0.00 N ATOM 309 CA TYR A 20 -5.611 -18.533 4.044 1.00 0.00 C ATOM 310 C TYR A 20 -4.363 -19.019 3.276 1.00 0.00 C ATOM 311 O TYR A 20 -3.630 -18.165 2.789 1.00 0.00 O ATOM 312 CB TYR A 20 -5.379 -18.519 5.560 1.00 0.00 C ATOM 313 CG TYR A 20 -4.071 -17.906 6.006 1.00 0.00 C ATOM 314 CD1 TYR A 20 -3.794 -16.552 5.745 1.00 0.00 C ATOM 315 CD2 TYR A 20 -3.120 -18.707 6.667 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.559 -16.001 6.127 1.00 0.00 C ATOM 317 CE2 TYR A 20 -1.892 -18.154 7.066 1.00 0.00 C ATOM 318 CZ TYR A 20 -1.599 -16.805 6.778 1.00 0.00 C ATOM 319 OH TYR A 20 -0.405 -16.270 7.141 1.00 0.00 O ATOM 0 H TYR A 20 -6.606 -20.327 3.886 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.784 -17.517 3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.197 -17.974 6.031 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.425 -19.544 5.928 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.531 -15.936 5.251 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.335 -19.746 6.867 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.345 -14.962 5.922 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.172 -18.762 7.593 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.224 -16.482 8.081 1.00 0.00 H new ATOM 329 N VAL A 21 -4.112 -20.325 3.076 1.00 0.00 N ATOM 330 CA VAL A 21 -2.943 -20.833 2.324 1.00 0.00 C ATOM 331 C VAL A 21 -2.863 -20.308 0.902 1.00 0.00 C ATOM 332 O VAL A 21 -1.772 -19.994 0.422 1.00 0.00 O ATOM 333 CB VAL A 21 -2.858 -22.374 2.277 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.038 -23.096 3.604 1.00 0.00 C ATOM 335 CG2 VAL A 21 -3.782 -23.011 1.243 1.00 0.00 C ATOM 0 H VAL A 21 -4.717 -21.065 3.433 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.096 -20.450 2.894 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.820 -22.515 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.958 -24.172 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.265 -22.773 4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.020 -22.861 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.666 -24.094 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.816 -22.751 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.525 -22.643 0.250 1.00 0.00 H new ATOM 345 N ASP A 22 -4.020 -20.180 0.252 1.00 0.00 N ATOM 346 CA ASP A 22 -4.118 -19.592 -1.068 1.00 0.00 C ATOM 347 C ASP A 22 -3.685 -18.138 -1.018 1.00 0.00 C ATOM 348 O ASP A 22 -2.884 -17.671 -1.820 1.00 0.00 O ATOM 349 CB ASP A 22 -5.580 -19.681 -1.498 1.00 0.00 C ATOM 350 CG ASP A 22 -5.902 -20.897 -2.360 1.00 0.00 C ATOM 351 OD1 ASP A 22 -5.304 -21.969 -2.107 1.00 0.00 O ATOM 352 OD2 ASP A 22 -6.773 -20.715 -3.237 1.00 0.00 O ATOM 0 H ASP A 22 -4.915 -20.485 0.635 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.474 -20.117 -1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.209 -19.703 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.841 -18.778 -2.050 1.00 0.00 H new ATOM 357 N ARG A 23 -4.221 -17.430 -0.025 1.00 0.00 N ATOM 358 CA ARG A 23 -4.043 -15.992 0.183 1.00 0.00 C ATOM 359 C ARG A 23 -2.601 -15.657 0.555 1.00 0.00 C ATOM 360 O ARG A 23 -2.122 -14.594 0.176 1.00 0.00 O ATOM 361 CB ARG A 23 -5.088 -15.461 1.188 1.00 0.00 C ATOM 362 CG ARG A 23 -6.445 -16.142 1.095 1.00 0.00 C ATOM 363 CD ARG A 23 -6.973 -16.165 -0.335 1.00 0.00 C ATOM 364 NE ARG A 23 -8.405 -15.978 -0.255 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.300 -16.221 -1.194 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.966 -16.775 -2.331 1.00 0.00 N ATOM 367 NH2 ARG A 23 -10.547 -15.894 -1.002 1.00 0.00 N ATOM 0 H ARG A 23 -4.815 -17.858 0.685 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.226 -15.469 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.700 -15.586 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.219 -14.391 1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.365 -17.163 1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.157 -15.622 1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.513 -15.376 -0.930 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.733 -17.111 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.764 -15.617 0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.994 -17.030 -2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.677 -16.952 -3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.829 -15.451 -0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.241 -16.081 -1.726 1.00 0.00 H new ATOM 381 N PHE A 24 -1.918 -16.593 1.209 1.00 0.00 N ATOM 382 CA PHE A 24 -0.493 -16.602 1.434 1.00 0.00 C ATOM 383 C PHE A 24 0.294 -16.818 0.119 1.00 0.00 C ATOM 384 O PHE A 24 1.032 -15.933 -0.328 1.00 0.00 O ATOM 385 CB PHE A 24 -0.247 -17.709 2.473 1.00 0.00 C ATOM 386 CG PHE A 24 1.214 -17.830 2.804 1.00 0.00 C ATOM 387 CD1 PHE A 24 2.092 -18.420 1.881 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.720 -17.245 3.972 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.467 -18.262 2.018 1.00 0.00 C ATOM 390 CE2 PHE A 24 3.106 -17.185 4.162 1.00 0.00 C ATOM 391 CZ PHE A 24 3.978 -17.614 3.140 1.00 0.00 C ATOM 0 H PHE A 24 -2.379 -17.407 1.615 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.134 -15.642 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.811 -17.492 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.615 -18.660 2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.697 -19.000 1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.049 -16.845 4.717 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.135 -18.640 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.507 -16.810 5.092 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.040 -17.440 3.227 1.00 0.00 H new ATOM 401 N TYR A 25 0.151 -17.981 -0.539 1.00 0.00 N ATOM 402 CA TYR A 25 1.009 -18.309 -1.693 1.00 0.00 C ATOM 403 C TYR A 25 0.724 -17.356 -2.879 1.00 0.00 C ATOM 404 O TYR A 25 1.627 -17.115 -3.676 1.00 0.00 O ATOM 405 CB TYR A 25 0.950 -19.810 -2.064 1.00 0.00 C ATOM 406 CG TYR A 25 1.956 -20.765 -1.391 1.00 0.00 C ATOM 407 CD1 TYR A 25 1.689 -21.327 -0.122 1.00 0.00 C ATOM 408 CD2 TYR A 25 3.104 -21.218 -2.090 1.00 0.00 C ATOM 409 CE1 TYR A 25 2.517 -22.328 0.415 1.00 0.00 C ATOM 410 CE2 TYR A 25 3.907 -22.269 -1.574 1.00 0.00 C ATOM 411 CZ TYR A 25 3.614 -22.819 -0.314 1.00 0.00 C ATOM 412 OH TYR A 25 4.382 -23.811 0.209 1.00 0.00 O ATOM 0 H TYR A 25 -0.535 -18.697 -0.299 1.00 0.00 H new ATOM 0 HA TYR A 25 2.046 -18.139 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.054 -20.170 -1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.083 -19.892 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.836 -20.982 0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.371 -20.756 -3.029 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.308 -22.724 1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.741 -22.645 -2.148 1.00 0.00 H new ATOM 0 HH TYR A 25 4.093 -24.674 -0.154 1.00 0.00 H new ATOM 422 N LYS A 26 -0.443 -16.693 -2.925 1.00 0.00 N ATOM 423 CA LYS A 26 -0.844 -15.570 -3.810 1.00 0.00 C ATOM 424 C LYS A 26 0.176 -14.414 -3.922 1.00 0.00 C ATOM 425 O LYS A 26 0.070 -13.586 -4.837 1.00 0.00 O ATOM 426 CB LYS A 26 -2.258 -15.129 -3.347 1.00 0.00 C ATOM 427 CG LYS A 26 -2.774 -13.738 -3.746 1.00 0.00 C ATOM 428 CD LYS A 26 -2.254 -12.636 -2.796 1.00 0.00 C ATOM 429 CE LYS A 26 -2.313 -11.224 -3.394 1.00 0.00 C ATOM 430 NZ LYS A 26 -1.576 -11.139 -4.681 1.00 0.00 N ATOM 0 H LYS A 26 -1.201 -16.946 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.868 -15.917 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.971 -15.864 -3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.281 -15.189 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.463 -13.514 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.864 -13.739 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.839 -12.656 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.223 -12.862 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.353 -10.939 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.891 -10.511 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.004 -10.270 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.952 -11.966 -4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.254 -11.122 -5.469 1.00 0.00 H new ATOM 444 N THR A 27 1.157 -14.317 -3.025 1.00 0.00 N ATOM 445 CA THR A 27 2.308 -13.392 -3.132 1.00 0.00 C ATOM 446 C THR A 27 3.660 -14.039 -2.870 1.00 0.00 C ATOM 447 O THR A 27 4.610 -13.721 -3.579 1.00 0.00 O ATOM 448 CB THR A 27 2.180 -12.165 -2.215 1.00 0.00 C ATOM 449 OG1 THR A 27 1.315 -12.384 -1.135 1.00 0.00 O ATOM 450 CG2 THR A 27 1.553 -11.015 -2.978 1.00 0.00 C ATOM 0 H THR A 27 1.183 -14.888 -2.181 1.00 0.00 H new ATOM 0 HA THR A 27 2.273 -13.080 -4.176 1.00 0.00 H new ATOM 0 HB THR A 27 3.191 -11.956 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.777 -11.580 -0.978 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.465 -10.149 -2.323 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.180 -10.761 -3.833 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.563 -11.307 -3.328 1.00 0.00 H new ATOM 458 N LEU A 28 3.779 -14.977 -1.924 1.00 0.00 N ATOM 459 CA LEU A 28 5.102 -15.561 -1.624 1.00 0.00 C ATOM 460 C LEU A 28 5.757 -16.372 -2.763 1.00 0.00 C ATOM 461 O LEU A 28 6.979 -16.420 -2.885 1.00 0.00 O ATOM 462 CB LEU A 28 5.001 -16.380 -0.347 1.00 0.00 C ATOM 463 CG LEU A 28 6.325 -16.550 0.435 1.00 0.00 C ATOM 464 CD1 LEU A 28 7.003 -17.838 0.036 1.00 0.00 C ATOM 465 CD2 LEU A 28 7.347 -15.424 0.290 1.00 0.00 C ATOM 0 H LEU A 28 3.007 -15.342 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 28 5.781 -14.718 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.268 -15.911 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.617 -17.369 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 28 6.008 -16.542 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.934 -17.947 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.346 -18.679 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.219 -17.820 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.231 -15.657 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.630 -15.322 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.910 -14.489 0.641 1.00 0.00 H new ATOM 477 N ARG A 29 4.928 -16.967 -3.624 1.00 0.00 N ATOM 478 CA ARG A 29 5.209 -17.596 -4.949 1.00 0.00 C ATOM 479 C ARG A 29 6.445 -17.185 -5.793 1.00 0.00 C ATOM 480 O ARG A 29 6.711 -17.837 -6.796 1.00 0.00 O ATOM 481 CB ARG A 29 3.994 -17.307 -5.843 1.00 0.00 C ATOM 482 CG ARG A 29 3.761 -15.779 -5.928 1.00 0.00 C ATOM 483 CD ARG A 29 3.883 -15.191 -7.335 1.00 0.00 C ATOM 484 NE ARG A 29 2.926 -15.808 -8.265 1.00 0.00 N ATOM 485 CZ ARG A 29 3.108 -16.001 -9.557 1.00 0.00 C ATOM 486 NH1 ARG A 29 4.126 -15.503 -10.206 1.00 0.00 N ATOM 487 NH2 ARG A 29 2.260 -16.731 -10.221 1.00 0.00 N ATOM 0 H ARG A 29 3.935 -17.036 -3.402 1.00 0.00 H new ATOM 0 HA ARG A 29 5.425 -18.627 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.158 -17.716 -6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.108 -17.798 -5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.767 -15.555 -5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.478 -15.279 -5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.712 -14.115 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.898 -15.339 -7.705 1.00 0.00 H new ATOM 0 HE ARG A 29 2.036 -16.116 -7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.819 -14.940 -9.713 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.228 -15.677 -11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.462 -17.149 -9.742 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.393 -16.885 -11.220 1.00 0.00 H new ATOM 501 N ALA A 30 7.100 -16.058 -5.517 1.00 0.00 N ATOM 502 CA ALA A 30 8.351 -15.659 -6.155 1.00 0.00 C ATOM 503 C ALA A 30 9.519 -16.549 -5.698 1.00 0.00 C ATOM 504 O ALA A 30 10.200 -17.116 -6.543 1.00 0.00 O ATOM 505 CB ALA A 30 8.609 -14.184 -5.825 1.00 0.00 C ATOM 0 H ALA A 30 6.767 -15.383 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 30 8.270 -15.784 -7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.540 -13.864 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.786 -13.577 -6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.684 -14.061 -4.745 1.00 0.00 H new ATOM 511 N GLU A 31 9.679 -16.730 -4.382 1.00 0.00 N ATOM 512 CA GLU A 31 10.674 -17.652 -3.812 1.00 0.00 C ATOM 513 C GLU A 31 10.088 -19.065 -3.744 1.00 0.00 C ATOM 514 O GLU A 31 10.717 -20.044 -4.142 1.00 0.00 O ATOM 515 CB GLU A 31 11.064 -17.190 -2.396 1.00 0.00 C ATOM 516 CG GLU A 31 11.914 -15.912 -2.389 1.00 0.00 C ATOM 517 CD GLU A 31 13.302 -16.157 -2.996 1.00 0.00 C ATOM 518 OE1 GLU A 31 14.126 -16.797 -2.304 1.00 0.00 O ATOM 519 OE2 GLU A 31 13.517 -15.722 -4.150 1.00 0.00 O ATOM 0 H GLU A 31 9.123 -16.242 -3.680 1.00 0.00 H new ATOM 0 HA GLU A 31 11.560 -17.656 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.158 -17.019 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.616 -17.988 -1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.403 -15.130 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.021 -15.551 -1.366 1.00 0.00 H new ATOM 526 N GLN A 32 8.817 -19.184 -3.332 1.00 0.00 N ATOM 527 CA GLN A 32 8.068 -20.450 -3.371 1.00 0.00 C ATOM 528 C GLN A 32 7.472 -20.688 -4.765 1.00 0.00 C ATOM 529 O GLN A 32 6.261 -20.826 -4.941 1.00 0.00 O ATOM 530 CB GLN A 32 7.020 -20.520 -2.251 1.00 0.00 C ATOM 531 CG GLN A 32 7.643 -20.852 -0.885 1.00 0.00 C ATOM 532 CD GLN A 32 8.237 -22.256 -0.756 1.00 0.00 C ATOM 533 OE1 GLN A 32 9.223 -22.464 -0.073 1.00 0.00 O ATOM 534 NE2 GLN A 32 7.673 -23.284 -1.358 1.00 0.00 N ATOM 0 H GLN A 32 8.277 -18.402 -2.961 1.00 0.00 H new ATOM 0 HA GLN A 32 8.764 -21.267 -3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.497 -19.566 -2.186 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.275 -21.276 -2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.427 -20.124 -0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.880 -20.727 -0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.845 -23.144 -1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.064 -24.219 -1.244 1.00 0.00 H new ATOM 543 N ALA A 33 8.349 -20.710 -5.762 1.00 0.00 N ATOM 544 CA ALA A 33 8.030 -20.912 -7.181 1.00 0.00 C ATOM 545 C ALA A 33 7.318 -22.248 -7.502 1.00 0.00 C ATOM 546 O ALA A 33 6.847 -22.451 -8.622 1.00 0.00 O ATOM 547 CB ALA A 33 9.333 -20.759 -7.972 1.00 0.00 C ATOM 0 H ALA A 33 9.348 -20.582 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 33 7.298 -20.159 -7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.133 -20.903 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.741 -19.761 -7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.053 -21.504 -7.634 1.00 0.00 H new ATOM 553 N SER A 34 7.248 -23.160 -6.528 1.00 0.00 N ATOM 554 CA SER A 34 6.569 -24.459 -6.588 1.00 0.00 C ATOM 555 C SER A 34 6.158 -24.932 -5.180 1.00 0.00 C ATOM 556 O SER A 34 6.450 -24.275 -4.177 1.00 0.00 O ATOM 557 CB SER A 34 7.486 -25.485 -7.268 1.00 0.00 C ATOM 558 OG SER A 34 8.570 -25.842 -6.430 1.00 0.00 O ATOM 0 H SER A 34 7.690 -23.002 -5.622 1.00 0.00 H new ATOM 0 HA SER A 34 5.657 -24.356 -7.176 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.912 -26.376 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.867 -25.073 -8.202 1.00 0.00 H new ATOM 0 HG SER A 34 9.136 -26.498 -6.889 1.00 0.00 H new ATOM 564 N GLN A 35 5.482 -26.084 -5.068 1.00 0.00 N ATOM 565 CA GLN A 35 5.099 -26.688 -3.775 1.00 0.00 C ATOM 566 C GLN A 35 6.250 -27.488 -3.119 1.00 0.00 C ATOM 567 O GLN A 35 6.057 -28.587 -2.596 1.00 0.00 O ATOM 568 CB GLN A 35 3.784 -27.484 -3.936 1.00 0.00 C ATOM 569 CG GLN A 35 3.134 -27.950 -2.615 1.00 0.00 C ATOM 570 CD GLN A 35 3.365 -26.994 -1.446 1.00 0.00 C ATOM 571 OE1 GLN A 35 2.831 -25.893 -1.400 1.00 0.00 O ATOM 572 NE2 GLN A 35 4.201 -27.367 -0.500 1.00 0.00 N ATOM 0 H GLN A 35 5.181 -26.630 -5.875 1.00 0.00 H new ATOM 0 HA GLN A 35 4.904 -25.887 -3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.067 -26.866 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.981 -28.360 -4.555 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.062 -28.068 -2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.528 -28.932 -2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.643 -28.285 -0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.407 -26.738 0.276 1.00 0.00 H new ATOM 581 N GLU A 36 7.465 -26.942 -3.172 1.00 0.00 N ATOM 582 CA GLU A 36 8.656 -27.497 -2.533 1.00 0.00 C ATOM 583 C GLU A 36 8.463 -27.709 -1.017 1.00 0.00 C ATOM 584 O GLU A 36 8.135 -26.783 -0.282 1.00 0.00 O ATOM 585 CB GLU A 36 9.850 -26.566 -2.809 1.00 0.00 C ATOM 586 CG GLU A 36 11.108 -27.153 -2.164 1.00 0.00 C ATOM 587 CD GLU A 36 12.346 -26.267 -2.269 1.00 0.00 C ATOM 588 OE1 GLU A 36 12.279 -25.134 -1.753 1.00 0.00 O ATOM 589 OE2 GLU A 36 13.428 -26.762 -2.648 1.00 0.00 O ATOM 0 H GLU A 36 7.652 -26.075 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 36 8.847 -28.482 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.997 -26.453 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.651 -25.572 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.904 -27.347 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.325 -28.115 -2.629 1.00 0.00 H new ATOM 596 N VAL A 37 8.770 -28.918 -0.535 1.00 0.00 N ATOM 597 CA VAL A 37 8.645 -29.359 0.871 1.00 0.00 C ATOM 598 C VAL A 37 9.454 -28.550 1.895 1.00 0.00 C ATOM 599 O VAL A 37 9.108 -28.534 3.072 1.00 0.00 O ATOM 600 CB VAL A 37 9.017 -30.856 0.949 1.00 0.00 C ATOM 601 CG1 VAL A 37 9.251 -31.387 2.366 1.00 0.00 C ATOM 602 CG2 VAL A 37 7.910 -31.680 0.283 1.00 0.00 C ATOM 0 H VAL A 37 9.131 -29.657 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 37 7.607 -29.184 1.155 1.00 0.00 H new ATOM 0 HB VAL A 37 9.971 -30.956 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.507 -32.446 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.069 -30.836 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.344 -31.258 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.164 -32.739 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.967 -31.508 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.811 -31.380 -0.760 1.00 0.00 H new ATOM 612 N LYS A 38 10.513 -27.846 1.478 1.00 0.00 N ATOM 613 CA LYS A 38 11.318 -26.978 2.361 1.00 0.00 C ATOM 614 C LYS A 38 10.542 -25.780 2.932 1.00 0.00 C ATOM 615 O LYS A 38 11.076 -25.075 3.786 1.00 0.00 O ATOM 616 CB LYS A 38 12.534 -26.436 1.591 1.00 0.00 C ATOM 617 CG LYS A 38 13.604 -27.480 1.246 1.00 0.00 C ATOM 618 CD LYS A 38 15.008 -26.872 1.037 1.00 0.00 C ATOM 619 CE LYS A 38 15.295 -26.196 -0.317 1.00 0.00 C ATOM 620 NZ LYS A 38 14.610 -24.895 -0.520 1.00 0.00 N ATOM 0 H LYS A 38 10.842 -27.859 0.513 1.00 0.00 H new ATOM 0 HA LYS A 38 11.617 -27.606 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.184 -25.978 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.997 -25.646 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.651 -28.219 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.307 -28.009 0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.176 -26.136 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.743 -27.665 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.370 -26.043 -0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.999 -26.875 -1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.033 -24.403 -1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.599 -25.060 -0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.717 -24.310 0.333 1.00 0.00 H new ATOM 634 N ASN A 39 9.313 -25.549 2.457 1.00 0.00 N ATOM 635 CA ASN A 39 8.494 -24.353 2.643 1.00 0.00 C ATOM 636 C ASN A 39 8.537 -23.625 4.002 1.00 0.00 C ATOM 637 O ASN A 39 8.565 -22.396 3.991 1.00 0.00 O ATOM 638 CB ASN A 39 7.110 -24.559 2.004 1.00 0.00 C ATOM 639 CG ASN A 39 6.080 -25.423 2.686 1.00 0.00 C ATOM 640 OD1 ASN A 39 6.142 -26.637 2.819 1.00 0.00 O ATOM 641 ND2 ASN A 39 4.992 -24.766 2.976 1.00 0.00 N ATOM 0 H ASN A 39 8.832 -26.248 1.891 1.00 0.00 H new ATOM 0 HA ASN A 39 9.004 -23.566 2.088 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.666 -23.573 1.870 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.272 -24.974 1.009 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.172 -25.265 3.321 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.961 -23.753 2.858 1.00 0.00 H new ATOM 648 N ALA A 40 8.707 -24.321 5.131 1.00 0.00 N ATOM 649 CA ALA A 40 8.972 -23.721 6.449 1.00 0.00 C ATOM 650 C ALA A 40 10.108 -22.664 6.508 1.00 0.00 C ATOM 651 O ALA A 40 10.135 -21.835 7.414 1.00 0.00 O ATOM 652 CB ALA A 40 9.252 -24.867 7.431 1.00 0.00 C ATOM 0 H ALA A 40 8.664 -25.340 5.158 1.00 0.00 H new ATOM 0 HA ALA A 40 8.083 -23.148 6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.453 -24.457 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.384 -25.524 7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.118 -25.434 7.090 1.00 0.00 H new ATOM 658 N MET A 41 11.036 -22.650 5.541 1.00 0.00 N ATOM 659 CA MET A 41 12.168 -21.705 5.471 1.00 0.00 C ATOM 660 C MET A 41 11.813 -20.231 5.138 1.00 0.00 C ATOM 661 O MET A 41 12.701 -19.465 4.768 1.00 0.00 O ATOM 662 CB MET A 41 13.248 -22.263 4.521 1.00 0.00 C ATOM 663 CG MET A 41 12.865 -22.298 3.033 1.00 0.00 C ATOM 664 SD MET A 41 14.241 -22.769 1.938 1.00 0.00 S ATOM 665 CE MET A 41 14.981 -21.127 1.703 1.00 0.00 C ATOM 0 H MET A 41 11.023 -23.311 4.764 1.00 0.00 H new ATOM 0 HA MET A 41 12.552 -21.637 6.489 1.00 0.00 H new ATOM 0 HB2 MET A 41 14.151 -21.662 4.632 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.498 -23.275 4.838 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.044 -23.001 2.894 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.497 -21.316 2.738 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.851 -21.210 1.051 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.249 -20.460 1.248 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.288 -20.725 2.668 1.00 0.00 H new ATOM 675 N THR A 42 10.541 -19.833 5.219 1.00 0.00 N ATOM 676 CA THR A 42 9.987 -18.497 4.886 1.00 0.00 C ATOM 677 C THR A 42 8.796 -18.192 5.809 1.00 0.00 C ATOM 678 O THR A 42 8.479 -18.990 6.686 1.00 0.00 O ATOM 679 CB THR A 42 9.504 -18.445 3.417 1.00 0.00 C ATOM 680 OG1 THR A 42 8.736 -19.583 3.107 1.00 0.00 O ATOM 681 CG2 THR A 42 10.644 -18.389 2.404 1.00 0.00 C ATOM 0 H THR A 42 9.813 -20.471 5.540 1.00 0.00 H new ATOM 0 HA THR A 42 10.776 -17.758 5.024 1.00 0.00 H new ATOM 0 HB THR A 42 8.919 -17.528 3.343 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.931 -19.311 2.619 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.233 -18.354 1.395 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.245 -17.497 2.582 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.269 -19.275 2.511 1.00 0.00 H new ATOM 689 N GLU A 43 8.074 -17.084 5.605 1.00 0.00 N ATOM 690 CA GLU A 43 6.782 -16.822 6.256 1.00 0.00 C ATOM 691 C GLU A 43 5.727 -17.933 6.043 1.00 0.00 C ATOM 692 O GLU A 43 4.688 -17.901 6.689 1.00 0.00 O ATOM 693 CB GLU A 43 6.219 -15.442 5.836 1.00 0.00 C ATOM 694 CG GLU A 43 6.258 -15.102 4.334 1.00 0.00 C ATOM 695 CD GLU A 43 7.487 -14.282 3.923 1.00 0.00 C ATOM 696 OE1 GLU A 43 8.580 -14.879 3.979 1.00 0.00 O ATOM 697 OE2 GLU A 43 7.324 -13.100 3.535 1.00 0.00 O ATOM 0 H GLU A 43 8.371 -16.336 4.978 1.00 0.00 H new ATOM 0 HA GLU A 43 6.992 -16.815 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.183 -15.382 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.773 -14.672 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.241 -16.028 3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.357 -14.547 4.072 1.00 0.00 H new ATOM 704 N THR A 44 5.956 -18.877 5.123 1.00 0.00 N ATOM 705 CA THR A 44 5.134 -20.026 4.692 1.00 0.00 C ATOM 706 C THR A 44 4.791 -21.071 5.748 1.00 0.00 C ATOM 707 O THR A 44 5.025 -22.271 5.606 1.00 0.00 O ATOM 708 CB THR A 44 5.719 -20.671 3.433 1.00 0.00 C ATOM 709 OG1 THR A 44 6.189 -19.715 2.519 1.00 0.00 O ATOM 710 CG2 THR A 44 4.664 -21.417 2.645 1.00 0.00 C ATOM 0 H THR A 44 6.828 -18.855 4.595 1.00 0.00 H new ATOM 0 HA THR A 44 4.164 -19.579 4.472 1.00 0.00 H new ATOM 0 HB THR A 44 6.512 -21.320 3.805 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.535 -18.989 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.118 -21.861 1.759 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.235 -22.204 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.879 -20.725 2.342 1.00 0.00 H new ATOM 718 N LEU A 45 4.117 -20.602 6.787 1.00 0.00 N ATOM 719 CA LEU A 45 3.447 -21.384 7.817 1.00 0.00 C ATOM 720 C LEU A 45 2.205 -22.176 7.316 1.00 0.00 C ATOM 721 O LEU A 45 1.203 -22.202 8.025 1.00 0.00 O ATOM 722 CB LEU A 45 3.216 -20.496 9.066 1.00 0.00 C ATOM 723 CG LEU A 45 2.928 -18.986 8.980 1.00 0.00 C ATOM 724 CD1 LEU A 45 1.891 -18.515 7.957 1.00 0.00 C ATOM 725 CD2 LEU A 45 2.487 -18.470 10.344 1.00 0.00 C ATOM 0 H LEU A 45 4.016 -19.599 6.944 1.00 0.00 H new ATOM 0 HA LEU A 45 4.107 -22.197 8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.382 -20.939 9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.101 -20.607 9.692 1.00 0.00 H new ATOM 0 HG LEU A 45 3.878 -18.578 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.794 -17.431 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.212 -18.802 6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.928 -18.977 8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.284 -17.401 10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.583 -18.993 10.656 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.278 -18.646 11.073 1.00 0.00 H new ATOM 737 N LEU A 46 2.217 -22.765 6.103 1.00 0.00 N ATOM 738 CA LEU A 46 1.088 -23.500 5.469 1.00 0.00 C ATOM 739 C LEU A 46 1.384 -24.085 4.056 1.00 0.00 C ATOM 740 O LEU A 46 2.493 -23.928 3.572 1.00 0.00 O ATOM 741 CB LEU A 46 -0.168 -22.615 5.424 1.00 0.00 C ATOM 742 CG LEU A 46 -0.118 -21.266 4.686 1.00 0.00 C ATOM 743 CD1 LEU A 46 0.519 -20.171 5.516 1.00 0.00 C ATOM 744 CD2 LEU A 46 0.586 -21.299 3.333 1.00 0.00 C ATOM 0 H LEU A 46 3.045 -22.744 5.508 1.00 0.00 H new ATOM 0 HA LEU A 46 0.924 -24.368 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.967 -23.204 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.462 -22.413 6.454 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.172 -21.048 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.528 -19.242 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.054 -20.029 6.433 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.542 -20.453 5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.570 -20.303 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.619 -21.620 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.072 -21.998 2.673 1.00 0.00 H new ATOM 756 N VAL A 47 0.420 -24.709 3.346 1.00 0.00 N ATOM 757 CA VAL A 47 0.581 -25.300 1.987 1.00 0.00 C ATOM 758 C VAL A 47 -0.631 -25.061 1.077 1.00 0.00 C ATOM 759 O VAL A 47 -1.756 -25.354 1.474 1.00 0.00 O ATOM 760 CB VAL A 47 0.825 -26.823 2.090 1.00 0.00 C ATOM 761 CG1 VAL A 47 0.601 -27.630 0.801 1.00 0.00 C ATOM 762 CG2 VAL A 47 2.266 -27.046 2.548 1.00 0.00 C ATOM 0 H VAL A 47 -0.526 -24.823 3.710 1.00 0.00 H new ATOM 0 HA VAL A 47 1.439 -24.798 1.540 1.00 0.00 H new ATOM 0 HB VAL A 47 0.080 -27.189 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.801 -28.684 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.431 -27.511 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.274 -27.268 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.461 -28.115 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.950 -26.605 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.416 -26.576 3.520 1.00 0.00 H new ATOM 772 N GLN A 48 -0.359 -24.612 -0.159 1.00 0.00 N ATOM 773 CA GLN A 48 -1.282 -24.441 -1.310 1.00 0.00 C ATOM 774 C GLN A 48 -2.435 -25.458 -1.328 1.00 0.00 C ATOM 775 O GLN A 48 -2.180 -26.636 -1.565 1.00 0.00 O ATOM 776 CB GLN A 48 -0.504 -24.600 -2.628 1.00 0.00 C ATOM 777 CG GLN A 48 0.449 -23.441 -2.891 1.00 0.00 C ATOM 778 CD GLN A 48 1.372 -23.723 -4.063 1.00 0.00 C ATOM 779 OE1 GLN A 48 1.103 -23.427 -5.213 1.00 0.00 O ATOM 780 NE2 GLN A 48 2.526 -24.289 -3.809 1.00 0.00 N ATOM 0 H GLN A 48 0.590 -24.334 -0.407 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.709 -23.444 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.062 -25.531 -2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.210 -24.679 -3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.126 -22.536 -3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.044 -23.250 -1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.769 -24.544 -2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.181 -24.474 -4.568 1.00 0.00 H new ATOM 789 N ASN A 49 -3.675 -25.018 -1.083 1.00 0.00 N ATOM 790 CA ASN A 49 -4.900 -25.786 -0.804 1.00 0.00 C ATOM 791 C ASN A 49 -4.814 -26.903 0.278 1.00 0.00 C ATOM 792 O ASN A 49 -5.808 -27.185 0.955 1.00 0.00 O ATOM 793 CB ASN A 49 -5.414 -26.306 -2.150 1.00 0.00 C ATOM 794 CG ASN A 49 -6.617 -27.216 -2.025 1.00 0.00 C ATOM 795 OD1 ASN A 49 -7.728 -26.790 -1.750 1.00 0.00 O ATOM 796 ND2 ASN A 49 -6.416 -28.497 -2.207 1.00 0.00 N ATOM 0 H ASN A 49 -3.867 -24.016 -1.074 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.604 -25.103 -0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.674 -25.458 -2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.611 -26.845 -2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.193 -29.153 -2.120 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.483 -28.839 -2.436 1.00 0.00 H new ATOM 803 N ALA A 50 -3.638 -27.479 0.534 1.00 0.00 N ATOM 804 CA ALA A 50 -3.397 -28.702 1.297 1.00 0.00 C ATOM 805 C ALA A 50 -4.384 -29.837 0.910 1.00 0.00 C ATOM 806 O ALA A 50 -4.644 -30.041 -0.274 1.00 0.00 O ATOM 807 CB ALA A 50 -3.277 -28.333 2.782 1.00 0.00 C ATOM 0 H ALA A 50 -2.768 -27.073 0.188 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.442 -29.160 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.097 -29.235 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.447 -27.640 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.202 -27.862 3.116 1.00 0.00 H new ATOM 813 N ASN A 51 -4.894 -30.611 1.875 1.00 0.00 N ATOM 814 CA ASN A 51 -5.725 -31.795 1.642 1.00 0.00 C ATOM 815 C ASN A 51 -6.850 -31.851 2.703 1.00 0.00 C ATOM 816 O ASN A 51 -6.739 -31.134 3.714 1.00 0.00 O ATOM 817 CB ASN A 51 -4.816 -33.051 1.563 1.00 0.00 C ATOM 818 CG ASN A 51 -4.677 -33.880 2.826 1.00 0.00 C ATOM 819 OD1 ASN A 51 -4.867 -33.426 3.940 1.00 0.00 O ATOM 820 ND2 ASN A 51 -4.404 -35.145 2.673 1.00 0.00 N ATOM 0 H ASN A 51 -4.735 -30.425 2.865 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.240 -31.750 0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.199 -33.698 0.774 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.820 -32.730 1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.349 -35.757 3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.245 -35.523 1.739 1.00 0.00 H new ATOM 827 N PRO A 52 -7.927 -32.636 2.514 1.00 0.00 N ATOM 828 CA PRO A 52 -9.089 -32.581 3.401 1.00 0.00 C ATOM 829 C PRO A 52 -8.774 -33.084 4.813 1.00 0.00 C ATOM 830 O PRO A 52 -9.281 -32.536 5.788 1.00 0.00 O ATOM 831 CB PRO A 52 -10.165 -33.430 2.720 1.00 0.00 C ATOM 832 CG PRO A 52 -9.367 -34.417 1.869 1.00 0.00 C ATOM 833 CD PRO A 52 -8.133 -33.616 1.457 1.00 0.00 C ATOM 0 HA PRO A 52 -9.421 -31.553 3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.789 -33.945 3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.828 -32.819 2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.096 -35.308 2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.937 -34.751 1.002 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.263 -34.264 1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.287 -33.127 0.495 1.00 0.00 H new ATOM 841 N ASP A 53 -7.894 -34.075 4.941 1.00 0.00 N ATOM 842 CA ASP A 53 -7.630 -34.710 6.234 1.00 0.00 C ATOM 843 C ASP A 53 -6.849 -33.731 7.141 1.00 0.00 C ATOM 844 O ASP A 53 -7.266 -33.424 8.257 1.00 0.00 O ATOM 845 CB ASP A 53 -6.934 -36.064 6.000 1.00 0.00 C ATOM 846 CG ASP A 53 -7.391 -36.742 4.693 1.00 0.00 C ATOM 847 OD1 ASP A 53 -8.476 -37.365 4.645 1.00 0.00 O ATOM 848 OD2 ASP A 53 -6.683 -36.511 3.685 1.00 0.00 O ATOM 0 H ASP A 53 -7.351 -34.457 4.166 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.554 -34.933 6.767 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.855 -35.914 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.141 -36.726 6.841 1.00 0.00 H new ATOM 853 N CYS A 54 -5.805 -33.088 6.599 1.00 0.00 N ATOM 854 CA CYS A 54 -5.087 -31.957 7.208 1.00 0.00 C ATOM 855 C CYS A 54 -6.039 -30.833 7.654 1.00 0.00 C ATOM 856 O CYS A 54 -5.838 -30.209 8.687 1.00 0.00 O ATOM 857 CB CYS A 54 -4.066 -31.458 6.163 1.00 0.00 C ATOM 858 SG CYS A 54 -3.492 -29.752 6.379 1.00 0.00 S ATOM 0 H CYS A 54 -5.422 -33.350 5.691 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.581 -32.281 8.118 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.200 -32.119 6.184 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.513 -31.549 5.173 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.248 -29.757 6.758 1.00 0.00 H new ATOM 864 N LYS A 55 -7.076 -30.527 6.870 1.00 0.00 N ATOM 865 CA LYS A 55 -8.038 -29.446 7.183 1.00 0.00 C ATOM 866 C LYS A 55 -8.761 -29.745 8.499 1.00 0.00 C ATOM 867 O LYS A 55 -8.704 -28.917 9.403 1.00 0.00 O ATOM 868 CB LYS A 55 -9.074 -29.289 6.055 1.00 0.00 C ATOM 869 CG LYS A 55 -8.988 -28.036 5.159 1.00 0.00 C ATOM 870 CD LYS A 55 -8.084 -28.137 3.913 1.00 0.00 C ATOM 871 CE LYS A 55 -6.640 -27.711 4.151 1.00 0.00 C ATOM 872 NZ LYS A 55 -5.938 -28.747 4.919 1.00 0.00 N ATOM 0 H LYS A 55 -7.280 -31.017 5.999 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.478 -28.516 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.001 -30.165 5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.065 -29.308 6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.996 -27.784 4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.635 -27.205 5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.093 -29.166 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.507 -27.520 3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.137 -27.548 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.614 -26.764 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.916 -28.678 4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.123 -28.612 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.277 -29.686 4.627 1.00 0.00 H new ATOM 886 N THR A 56 -9.356 -30.933 8.612 1.00 0.00 N ATOM 887 CA THR A 56 -10.019 -31.438 9.829 1.00 0.00 C ATOM 888 C THR A 56 -9.075 -31.476 11.034 1.00 0.00 C ATOM 889 O THR A 56 -9.515 -31.345 12.171 1.00 0.00 O ATOM 890 CB THR A 56 -10.561 -32.853 9.564 1.00 0.00 C ATOM 891 OG1 THR A 56 -11.311 -32.853 8.371 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.493 -33.371 10.659 1.00 0.00 C ATOM 0 H THR A 56 -9.395 -31.596 7.838 1.00 0.00 H new ATOM 0 HA THR A 56 -10.832 -30.752 10.069 1.00 0.00 H new ATOM 0 HB THR A 56 -9.684 -33.498 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.655 -33.755 8.201 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.834 -34.374 10.402 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.958 -33.402 11.608 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.353 -32.707 10.749 1.00 0.00 H new ATOM 900 N ILE A 57 -7.774 -31.619 10.768 1.00 0.00 N ATOM 901 CA ILE A 57 -6.723 -31.742 11.795 1.00 0.00 C ATOM 902 C ILE A 57 -6.316 -30.380 12.356 1.00 0.00 C ATOM 903 O ILE A 57 -6.629 -30.096 13.511 1.00 0.00 O ATOM 904 CB ILE A 57 -5.520 -32.532 11.240 1.00 0.00 C ATOM 905 CG1 ILE A 57 -5.915 -34.017 11.104 1.00 0.00 C ATOM 906 CG2 ILE A 57 -4.252 -32.423 12.105 1.00 0.00 C ATOM 907 CD1 ILE A 57 -4.984 -34.750 10.141 1.00 0.00 C ATOM 0 H ILE A 57 -7.409 -31.654 9.816 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.129 -32.306 12.635 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.274 -32.092 10.274 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.881 -34.496 12.082 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.943 -34.092 10.748 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.450 -33.005 11.650 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.948 -31.379 12.175 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.458 -32.808 13.103 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.287 -35.794 10.066 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.039 -34.284 9.157 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.961 -34.695 10.512 1.00 0.00 H new ATOM 919 N LEU A 58 -5.646 -29.507 11.581 1.00 0.00 N ATOM 920 CA LEU A 58 -5.132 -28.249 12.144 1.00 0.00 C ATOM 921 C LEU A 58 -6.246 -27.349 12.665 1.00 0.00 C ATOM 922 O LEU A 58 -5.993 -26.542 13.555 1.00 0.00 O ATOM 923 CB LEU A 58 -4.282 -27.453 11.150 1.00 0.00 C ATOM 924 CG LEU A 58 -3.010 -28.195 10.733 1.00 0.00 C ATOM 925 CD1 LEU A 58 -3.265 -29.114 9.552 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.907 -27.200 10.361 1.00 0.00 C ATOM 0 H LEU A 58 -5.452 -29.645 10.589 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.499 -28.557 12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.877 -27.234 10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.010 -26.496 11.596 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.693 -28.797 11.585 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.341 -29.625 9.282 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.022 -29.851 9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.616 -28.527 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.010 -27.745 10.067 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.243 -26.578 9.531 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.683 -26.568 11.220 1.00 0.00 H new ATOM 938 N LYS A 59 -7.474 -27.567 12.178 1.00 0.00 N ATOM 939 CA LYS A 59 -8.699 -26.983 12.761 1.00 0.00 C ATOM 940 C LYS A 59 -8.797 -27.075 14.296 1.00 0.00 C ATOM 941 O LYS A 59 -9.475 -26.243 14.894 1.00 0.00 O ATOM 942 CB LYS A 59 -9.942 -27.618 12.134 1.00 0.00 C ATOM 943 CG LYS A 59 -10.491 -26.810 10.945 1.00 0.00 C ATOM 944 CD LYS A 59 -11.696 -25.919 11.312 1.00 0.00 C ATOM 945 CE LYS A 59 -11.359 -24.863 12.376 1.00 0.00 C ATOM 946 NZ LYS A 59 -12.529 -24.019 12.741 1.00 0.00 N ATOM 0 H LYS A 59 -7.652 -28.156 11.364 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.642 -25.920 12.527 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.700 -28.627 11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.719 -27.711 12.893 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.695 -26.184 10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.786 -27.498 10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.058 -25.419 10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.508 -26.548 11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.983 -25.361 13.270 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.557 -24.224 12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.208 -23.203 13.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.998 -23.682 11.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.201 -24.581 13.302 1.00 0.00 H new ATOM 960 N ALA A 60 -8.142 -28.072 14.893 1.00 0.00 N ATOM 961 CA ALA A 60 -7.945 -28.250 16.335 1.00 0.00 C ATOM 962 C ALA A 60 -6.477 -28.575 16.733 1.00 0.00 C ATOM 963 O ALA A 60 -6.209 -28.882 17.894 1.00 0.00 O ATOM 964 CB ALA A 60 -8.930 -29.325 16.814 1.00 0.00 C ATOM 0 H ALA A 60 -7.709 -28.821 14.353 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.147 -27.302 16.835 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.807 -29.480 17.886 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.950 -29.001 16.609 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.733 -30.259 16.288 1.00 0.00 H new ATOM 970 N LEU A 61 -5.516 -28.479 15.798 1.00 0.00 N ATOM 971 CA LEU A 61 -4.096 -28.832 15.977 1.00 0.00 C ATOM 972 C LEU A 61 -3.143 -27.689 15.579 1.00 0.00 C ATOM 973 O LEU A 61 -2.052 -27.897 15.053 1.00 0.00 O ATOM 974 CB LEU A 61 -3.792 -30.168 15.265 1.00 0.00 C ATOM 975 CG LEU A 61 -2.990 -31.137 16.159 1.00 0.00 C ATOM 976 CD1 LEU A 61 -2.951 -32.536 15.554 1.00 0.00 C ATOM 977 CD2 LEU A 61 -1.545 -30.687 16.381 1.00 0.00 C ATOM 0 H LEU A 61 -5.715 -28.139 14.857 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.909 -28.979 17.041 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.728 -30.641 14.969 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.231 -29.971 14.351 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.510 -31.142 17.117 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.380 -33.198 16.205 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.967 -32.917 15.451 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.478 -32.495 14.573 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.033 -31.409 17.017 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.033 -30.621 15.421 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.538 -29.709 16.863 1.00 0.00 H new ATOM 989 N GLY A 62 -3.547 -26.454 15.879 1.00 0.00 N ATOM 990 CA GLY A 62 -2.734 -25.242 15.734 1.00 0.00 C ATOM 991 C GLY A 62 -2.304 -24.604 17.062 1.00 0.00 C ATOM 992 O GLY A 62 -2.574 -23.415 17.233 1.00 0.00 O ATOM 0 H GLY A 62 -4.481 -26.262 16.242 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.842 -25.484 15.156 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.298 -24.508 15.158 1.00 0.00 H new ATOM 996 N PRO A 63 -1.634 -25.314 17.999 1.00 0.00 N ATOM 997 CA PRO A 63 -1.110 -24.748 19.249 1.00 0.00 C ATOM 998 C PRO A 63 0.171 -23.917 19.007 1.00 0.00 C ATOM 999 O PRO A 63 1.180 -24.097 19.682 1.00 0.00 O ATOM 1000 CB PRO A 63 -0.878 -25.971 20.148 1.00 0.00 C ATOM 1001 CG PRO A 63 -0.378 -27.009 19.149 1.00 0.00 C ATOM 1002 CD PRO A 63 -1.240 -26.719 17.922 1.00 0.00 C ATOM 0 HA PRO A 63 -1.795 -24.039 19.713 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.145 -25.770 20.929 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.794 -26.291 20.645 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.685 -26.891 18.937 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.519 -28.026 19.514 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.684 -26.914 17.005 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.118 -27.365 17.906 1.00 0.00 H new ATOM 1010 N ALA A 64 0.167 -23.078 17.964 1.00 0.00 N ATOM 1011 CA ALA A 64 1.249 -22.185 17.515 1.00 0.00 C ATOM 1012 C ALA A 64 2.608 -22.817 17.114 1.00 0.00 C ATOM 1013 O ALA A 64 3.401 -22.120 16.491 1.00 0.00 O ATOM 1014 CB ALA A 64 1.405 -21.039 18.527 1.00 0.00 C ATOM 0 H ALA A 64 -0.654 -22.998 17.364 1.00 0.00 H new ATOM 0 HA ALA A 64 0.915 -21.816 16.545 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.204 -20.373 18.202 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.471 -20.481 18.591 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.650 -21.449 19.506 1.00 0.00 H new ATOM 1020 N ALA A 65 2.856 -24.108 17.374 1.00 0.00 N ATOM 1021 CA ALA A 65 4.126 -24.782 17.058 1.00 0.00 C ATOM 1022 C ALA A 65 3.947 -26.017 16.163 1.00 0.00 C ATOM 1023 O ALA A 65 4.480 -26.029 15.061 1.00 0.00 O ATOM 1024 CB ALA A 65 4.832 -25.116 18.378 1.00 0.00 C ATOM 0 H ALA A 65 2.172 -24.723 17.815 1.00 0.00 H new ATOM 0 HA ALA A 65 4.747 -24.107 16.469 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.777 -25.617 18.169 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.023 -24.196 18.931 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.198 -25.772 18.974 1.00 0.00 H new ATOM 1030 N THR A 66 3.122 -27.007 16.536 1.00 0.00 N ATOM 1031 CA THR A 66 2.945 -28.252 15.746 1.00 0.00 C ATOM 1032 C THR A 66 2.530 -28.029 14.283 1.00 0.00 C ATOM 1033 O THR A 66 2.731 -28.890 13.435 1.00 0.00 O ATOM 1034 CB THR A 66 1.926 -29.205 16.397 1.00 0.00 C ATOM 1035 OG1 THR A 66 1.916 -29.078 17.804 1.00 0.00 O ATOM 1036 CG2 THR A 66 2.229 -30.669 16.087 1.00 0.00 C ATOM 0 H THR A 66 2.559 -26.976 17.386 1.00 0.00 H new ATOM 0 HA THR A 66 3.940 -28.698 15.742 1.00 0.00 H new ATOM 0 HB THR A 66 0.960 -28.922 15.978 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.257 -29.696 18.184 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.484 -31.304 16.567 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.200 -30.826 15.009 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.220 -30.923 16.464 1.00 0.00 H new ATOM 1044 N LEU A 67 1.991 -26.855 13.945 1.00 0.00 N ATOM 1045 CA LEU A 67 1.749 -26.459 12.557 1.00 0.00 C ATOM 1046 C LEU A 67 2.959 -26.705 11.647 1.00 0.00 C ATOM 1047 O LEU A 67 2.784 -27.215 10.554 1.00 0.00 O ATOM 1048 CB LEU A 67 1.358 -24.990 12.537 1.00 0.00 C ATOM 1049 CG LEU A 67 0.724 -24.405 11.247 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.923 -22.899 11.339 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.295 -24.900 9.935 1.00 0.00 C ATOM 0 H LEU A 67 1.710 -26.152 14.628 1.00 0.00 H new ATOM 0 HA LEU A 67 0.943 -27.078 12.162 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.657 -24.823 13.355 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.252 -24.407 12.760 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.316 -24.729 11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.497 -22.421 10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.426 -22.520 12.232 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.988 -22.675 11.394 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.773 -24.421 9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.356 -24.655 9.885 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.168 -25.980 9.868 1.00 0.00 H new ATOM 1063 N GLU A 68 4.166 -26.356 12.071 1.00 0.00 N ATOM 1064 CA GLU A 68 5.406 -26.581 11.302 1.00 0.00 C ATOM 1065 C GLU A 68 5.477 -27.921 10.567 1.00 0.00 C ATOM 1066 O GLU A 68 5.784 -27.953 9.376 1.00 0.00 O ATOM 1067 CB GLU A 68 6.633 -26.485 12.219 1.00 0.00 C ATOM 1068 CG GLU A 68 6.858 -25.072 12.724 1.00 0.00 C ATOM 1069 CD GLU A 68 8.280 -24.861 13.290 1.00 0.00 C ATOM 1070 OE1 GLU A 68 8.832 -25.821 13.881 1.00 0.00 O ATOM 1071 OE2 GLU A 68 8.806 -23.735 13.134 1.00 0.00 O ATOM 0 H GLU A 68 4.325 -25.901 12.970 1.00 0.00 H new ATOM 0 HA GLU A 68 5.399 -25.797 10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.504 -27.157 13.068 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.517 -26.821 11.677 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.687 -24.368 11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.126 -24.847 13.499 1.00 0.00 H new ATOM 1078 N GLU A 69 5.113 -29.007 11.249 1.00 0.00 N ATOM 1079 CA GLU A 69 4.947 -30.300 10.558 1.00 0.00 C ATOM 1080 C GLU A 69 3.663 -30.367 9.719 1.00 0.00 C ATOM 1081 O GLU A 69 3.656 -30.843 8.583 1.00 0.00 O ATOM 1082 CB GLU A 69 5.031 -31.496 11.523 1.00 0.00 C ATOM 1083 CG GLU A 69 3.851 -31.702 12.484 1.00 0.00 C ATOM 1084 CD GLU A 69 3.865 -33.110 13.085 1.00 0.00 C ATOM 1085 OE1 GLU A 69 3.254 -33.996 12.446 1.00 0.00 O ATOM 1086 OE2 GLU A 69 4.449 -33.275 14.180 1.00 0.00 O ATOM 0 H GLU A 69 4.930 -29.027 12.252 1.00 0.00 H new ATOM 0 HA GLU A 69 5.788 -30.370 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.146 -32.403 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.938 -31.388 12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.896 -30.962 13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.913 -31.540 11.952 1.00 0.00 H new ATOM 1093 N MET A 70 2.560 -29.862 10.270 1.00 0.00 N ATOM 1094 CA MET A 70 1.207 -30.011 9.736 1.00 0.00 C ATOM 1095 C MET A 70 1.007 -29.332 8.375 1.00 0.00 C ATOM 1096 O MET A 70 0.238 -29.818 7.539 1.00 0.00 O ATOM 1097 CB MET A 70 0.223 -29.462 10.736 1.00 0.00 C ATOM 1098 CG MET A 70 0.221 -30.100 12.107 1.00 0.00 C ATOM 1099 SD MET A 70 -0.914 -31.501 12.276 1.00 0.00 S ATOM 1100 CE MET A 70 0.251 -32.886 12.125 1.00 0.00 C ATOM 0 H MET A 70 2.585 -29.318 11.132 1.00 0.00 H new ATOM 0 HA MET A 70 1.041 -31.075 9.570 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.419 -28.397 10.857 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.778 -29.556 10.315 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.231 -30.436 12.340 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.042 -29.344 12.846 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.291 -33.828 12.208 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.750 -32.838 11.157 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.995 -32.824 12.920 1.00 0.00 H new ATOM 1110 N MET A 71 1.759 -28.242 8.170 1.00 0.00 N ATOM 1111 CA MET A 71 1.986 -27.474 6.938 1.00 0.00 C ATOM 1112 C MET A 71 1.963 -28.427 5.748 1.00 0.00 C ATOM 1113 O MET A 71 1.029 -28.426 4.949 1.00 0.00 O ATOM 1114 CB MET A 71 3.357 -26.754 7.092 1.00 0.00 C ATOM 1115 CG MET A 71 3.968 -26.010 5.874 1.00 0.00 C ATOM 1116 SD MET A 71 5.702 -25.538 6.107 1.00 0.00 S ATOM 1117 CE MET A 71 5.629 -24.752 7.733 1.00 0.00 C ATOM 0 H MET A 71 2.279 -27.833 8.947 1.00 0.00 H new ATOM 0 HA MET A 71 1.211 -26.727 6.767 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.257 -26.030 7.901 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.083 -27.499 7.418 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.889 -26.647 4.993 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.380 -25.114 5.674 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.268 -23.869 7.739 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.602 -24.459 7.950 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.974 -25.454 8.492 1.00 0.00 H new ATOM 1127 N THR A 72 2.962 -29.299 5.715 1.00 0.00 N ATOM 1128 CA THR A 72 3.278 -30.204 4.621 1.00 0.00 C ATOM 1129 C THR A 72 3.055 -31.663 4.999 1.00 0.00 C ATOM 1130 O THR A 72 3.201 -32.516 4.126 1.00 0.00 O ATOM 1131 CB THR A 72 4.747 -30.053 4.192 1.00 0.00 C ATOM 1132 OG1 THR A 72 5.388 -28.900 4.711 1.00 0.00 O ATOM 1133 CG2 THR A 72 4.917 -30.019 2.677 1.00 0.00 C ATOM 0 H THR A 72 3.610 -29.398 6.497 1.00 0.00 H new ATOM 0 HA THR A 72 2.608 -29.935 3.804 1.00 0.00 H new ATOM 0 HB THR A 72 5.219 -30.941 4.612 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.565 -28.269 3.983 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.974 -29.911 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.538 -30.946 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.361 -29.175 2.267 1.00 0.00 H new ATOM 1141 N ALA A 73 2.675 -31.998 6.242 1.00 0.00 N ATOM 1142 CA ALA A 73 2.281 -33.369 6.573 1.00 0.00 C ATOM 1143 C ALA A 73 1.154 -33.814 5.634 1.00 0.00 C ATOM 1144 O ALA A 73 1.125 -34.951 5.174 1.00 0.00 O ATOM 1145 CB ALA A 73 1.850 -33.464 8.043 1.00 0.00 C ATOM 0 H ALA A 73 2.634 -31.344 7.024 1.00 0.00 H new ATOM 0 HA ALA A 73 3.133 -34.035 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.560 -34.490 8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.680 -33.169 8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.003 -32.800 8.217 1.00 0.00 H new ATOM 1151 N CYS A 74 0.289 -32.860 5.260 1.00 0.00 N ATOM 1152 CA CYS A 74 -0.859 -33.014 4.359 1.00 0.00 C ATOM 1153 C CYS A 74 -0.573 -33.676 2.998 1.00 0.00 C ATOM 1154 O CYS A 74 -1.504 -34.100 2.322 1.00 0.00 O ATOM 1155 CB CYS A 74 -1.495 -31.631 4.185 1.00 0.00 C ATOM 1156 SG CYS A 74 -0.499 -30.539 3.132 1.00 0.00 S ATOM 0 H CYS A 74 0.379 -31.903 5.600 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.539 -33.724 4.830 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.488 -31.743 3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.625 -31.168 5.163 1.00 0.00 H new ATOM 0 HG CYS A 74 0.125 -29.673 3.873 1.00 0.00 H new ATOM 1162 N GLN A 75 0.699 -33.776 2.606 1.00 0.00 N ATOM 1163 CA GLN A 75 1.143 -34.461 1.389 1.00 0.00 C ATOM 1164 C GLN A 75 1.013 -35.996 1.460 1.00 0.00 C ATOM 1165 O GLN A 75 0.860 -36.665 0.443 1.00 0.00 O ATOM 1166 CB GLN A 75 2.592 -34.026 1.132 1.00 0.00 C ATOM 1167 CG GLN A 75 3.650 -34.823 1.912 1.00 0.00 C ATOM 1168 CD GLN A 75 5.040 -34.223 1.762 1.00 0.00 C ATOM 1169 OE1 GLN A 75 5.762 -34.479 0.817 1.00 0.00 O ATOM 1170 NE2 GLN A 75 5.467 -33.414 2.701 1.00 0.00 N ATOM 0 H GLN A 75 1.469 -33.373 3.140 1.00 0.00 H new ATOM 0 HA GLN A 75 0.493 -34.176 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.801 -34.117 0.066 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.691 -32.971 1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.379 -34.850 2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.660 -35.854 1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.867 -33.194 3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.399 -33.004 2.636 1.00 0.00 H new ATOM 1179 N GLY A 76 1.080 -36.549 2.676 1.00 0.00 N ATOM 1180 CA GLY A 76 1.030 -37.986 2.960 1.00 0.00 C ATOM 1181 C GLY A 76 0.425 -38.305 4.329 1.00 0.00 C ATOM 1182 O GLY A 76 0.605 -39.410 4.828 1.00 0.00 O ATOM 0 H GLY A 76 1.174 -35.986 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.446 -38.483 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.039 -38.396 2.911 1.00 0.00 H new ATOM 1186 N VAL A 77 -0.282 -37.343 4.937 1.00 0.00 N ATOM 1187 CA VAL A 77 -0.951 -37.474 6.258 1.00 0.00 C ATOM 1188 C VAL A 77 -1.886 -38.691 6.373 1.00 0.00 C ATOM 1189 O VAL A 77 -2.150 -39.182 7.467 1.00 0.00 O ATOM 1190 CB VAL A 77 -1.687 -36.167 6.623 1.00 0.00 C ATOM 1191 CG1 VAL A 77 -2.926 -35.909 5.758 1.00 0.00 C ATOM 1192 CG2 VAL A 77 -2.075 -36.075 8.100 1.00 0.00 C ATOM 0 H VAL A 77 -0.414 -36.422 4.519 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.156 -37.654 6.982 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.951 -35.390 6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.397 -34.975 6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.631 -35.838 4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.633 -36.730 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.588 -35.131 8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.737 -36.903 8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.177 -36.126 8.716 1.00 0.00 H new ATOM 1202 N GLY A 78 -2.349 -39.216 5.236 1.00 0.00 N ATOM 1203 CA GLY A 78 -3.066 -40.481 5.117 1.00 0.00 C ATOM 1204 C GLY A 78 -2.942 -41.050 3.700 1.00 0.00 C ATOM 1205 O GLY A 78 -2.651 -40.317 2.754 1.00 0.00 O ATOM 0 H GLY A 78 -2.228 -38.749 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.669 -41.197 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.118 -40.332 5.362 1.00 0.00 H new ATOM 1209 N GLY A 79 -3.184 -42.356 3.557 1.00 0.00 N ATOM 1210 CA GLY A 79 -2.988 -43.124 2.318 1.00 0.00 C ATOM 1211 C GLY A 79 -4.267 -43.843 1.866 1.00 0.00 C ATOM 1212 O GLY A 79 -4.370 -45.056 2.045 1.00 0.00 O ATOM 0 H GLY A 79 -3.534 -42.930 4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.653 -42.453 1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.196 -43.858 2.470 1.00 0.00 H new ATOM 1216 N PRO A 80 -5.285 -43.115 1.368 1.00 0.00 N ATOM 1217 CA PRO A 80 -6.572 -43.699 0.998 1.00 0.00 C ATOM 1218 C PRO A 80 -6.487 -44.604 -0.242 1.00 0.00 C ATOM 1219 O PRO A 80 -5.688 -44.377 -1.148 1.00 0.00 O ATOM 1220 CB PRO A 80 -7.492 -42.498 0.745 1.00 0.00 C ATOM 1221 CG PRO A 80 -6.530 -41.407 0.276 1.00 0.00 C ATOM 1222 CD PRO A 80 -5.271 -41.684 1.095 1.00 0.00 C ATOM 0 HA PRO A 80 -6.942 -44.352 1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.245 -42.721 -0.010 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.025 -42.203 1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.337 -41.472 -0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.926 -40.410 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.375 -41.399 0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.272 -41.109 2.021 1.00 0.00 H new ATOM 1230 N GLY A 81 -7.385 -45.590 -0.305 1.00 0.00 N ATOM 1231 CA GLY A 81 -7.614 -46.407 -1.499 1.00 0.00 C ATOM 1232 C GLY A 81 -8.283 -45.632 -2.643 1.00 0.00 C ATOM 1233 O GLY A 81 -8.459 -44.417 -2.576 1.00 0.00 O ATOM 0 H GLY A 81 -7.981 -45.847 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.661 -46.805 -1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.238 -47.260 -1.233 1.00 0.00 H new ATOM 1237 N HIS A 82 -8.690 -46.375 -3.678 1.00 0.00 N ATOM 1238 CA HIS A 82 -9.435 -45.969 -4.888 1.00 0.00 C ATOM 1239 C HIS A 82 -10.715 -45.122 -4.667 1.00 0.00 C ATOM 1240 O HIS A 82 -11.833 -45.538 -4.961 1.00 0.00 O ATOM 1241 CB HIS A 82 -9.695 -47.235 -5.727 1.00 0.00 C ATOM 1242 CG HIS A 82 -10.267 -48.413 -4.966 1.00 0.00 C ATOM 1243 ND1 HIS A 82 -9.993 -49.746 -5.264 1.00 0.00 N ATOM 1244 CD2 HIS A 82 -11.068 -48.367 -3.860 1.00 0.00 C ATOM 1245 CE1 HIS A 82 -10.657 -50.476 -4.357 1.00 0.00 C ATOM 1246 NE2 HIS A 82 -11.309 -49.677 -3.498 1.00 0.00 N ATOM 0 H HIS A 82 -8.489 -47.375 -3.697 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.804 -45.261 -5.425 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.380 -46.980 -6.536 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.757 -47.543 -6.189 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.439 -47.481 -3.367 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.666 -51.555 -4.322 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -11.883 -49.985 -2.713 1.00 0.00 H new ATOM 1254 N LYS A 83 -10.560 -43.905 -4.141 1.00 0.00 N ATOM 1255 CA LYS A 83 -11.587 -42.890 -3.828 1.00 0.00 C ATOM 1256 C LYS A 83 -12.124 -42.218 -5.112 1.00 0.00 C ATOM 1257 O LYS A 83 -12.017 -41.004 -5.301 1.00 0.00 O ATOM 1258 CB LYS A 83 -10.937 -41.956 -2.783 1.00 0.00 C ATOM 1259 CG LYS A 83 -11.887 -41.104 -1.923 1.00 0.00 C ATOM 1260 CD LYS A 83 -11.105 -40.517 -0.727 1.00 0.00 C ATOM 1261 CE LYS A 83 -11.993 -39.703 0.227 1.00 0.00 C ATOM 1262 NZ LYS A 83 -11.249 -39.248 1.438 1.00 0.00 N ATOM 0 H LYS A 83 -9.629 -43.567 -3.898 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.496 -43.307 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.330 -42.566 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.258 -41.283 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.316 -40.300 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.717 -41.713 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.635 -41.329 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.303 -39.880 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.391 -38.836 -0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.846 -40.309 0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.887 -38.703 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.891 -40.075 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.450 -38.648 1.150 1.00 0.00 H new ATOM 1276 N ALA A 84 -12.635 -43.063 -6.011 1.00 0.00 N ATOM 1277 CA ALA A 84 -13.015 -42.817 -7.403 1.00 0.00 C ATOM 1278 C ALA A 84 -13.768 -41.504 -7.687 1.00 0.00 C ATOM 1279 O ALA A 84 -14.410 -40.913 -6.815 1.00 0.00 O ATOM 1280 CB ALA A 84 -13.802 -44.038 -7.897 1.00 0.00 C ATOM 0 H ALA A 84 -12.810 -44.035 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.088 -42.678 -7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.100 -43.884 -8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.175 -44.927 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -14.691 -44.172 -7.281 1.00 0.00 H new ATOM 1286 N ARG A 85 -13.673 -41.055 -8.942 1.00 0.00 N ATOM 1287 CA ARG A 85 -14.200 -39.786 -9.473 1.00 0.00 C ATOM 1288 C ARG A 85 -15.253 -40.059 -10.557 1.00 0.00 C ATOM 1289 O ARG A 85 -15.371 -41.180 -11.039 1.00 0.00 O ATOM 1290 CB ARG A 85 -13.028 -38.940 -10.035 1.00 0.00 C ATOM 1291 CG ARG A 85 -12.605 -37.722 -9.194 1.00 0.00 C ATOM 1292 CD ARG A 85 -11.870 -38.028 -7.874 1.00 0.00 C ATOM 1293 NE ARG A 85 -12.758 -38.521 -6.805 1.00 0.00 N ATOM 1294 CZ ARG A 85 -13.711 -37.868 -6.169 1.00 0.00 C ATOM 1295 NH1 ARG A 85 -13.880 -36.580 -6.284 1.00 0.00 N ATOM 1296 NH2 ARG A 85 -14.537 -38.529 -5.416 1.00 0.00 N ATOM 0 H ARG A 85 -13.197 -41.599 -9.662 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.684 -39.227 -8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.162 -39.591 -10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -13.304 -38.590 -11.030 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.961 -37.090 -9.806 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.497 -37.139 -8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -11.095 -38.771 -8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -11.367 -37.124 -7.530 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.617 -39.491 -6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -13.261 -36.036 -6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -14.631 -36.117 -5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -14.444 -39.540 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -15.279 -38.037 -4.918 1.00 0.00 H new ATOM 1310 N VAL A 86 -15.983 -39.013 -10.932 1.00 0.00 N ATOM 1311 CA VAL A 86 -16.997 -38.982 -11.994 1.00 0.00 C ATOM 1312 C VAL A 86 -16.986 -37.581 -12.621 1.00 0.00 C ATOM 1313 O VAL A 86 -16.416 -36.658 -12.026 1.00 0.00 O ATOM 1314 CB VAL A 86 -18.378 -39.381 -11.422 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -18.933 -38.367 -10.411 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -19.432 -39.642 -12.502 1.00 0.00 C ATOM 0 H VAL A 86 -15.880 -38.106 -10.478 1.00 0.00 H new ATOM 0 HA VAL A 86 -16.774 -39.707 -12.777 1.00 0.00 H new ATOM 0 HB VAL A 86 -18.181 -40.318 -10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -19.903 -38.708 -10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -18.244 -38.276 -9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -19.046 -37.396 -10.894 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -20.376 -39.917 -12.031 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -19.573 -38.740 -13.098 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -19.098 -40.455 -13.147 1.00 0.00 H new ATOM 1326 N LEU A 87 -17.578 -37.447 -13.807 1.00 0.00 N ATOM 1327 CA LEU A 87 -17.726 -36.239 -14.623 1.00 0.00 C ATOM 1328 C LEU A 87 -18.995 -36.343 -15.487 1.00 0.00 C ATOM 1329 O LEU A 87 -19.475 -37.490 -15.643 1.00 0.00 O ATOM 1330 CB LEU A 87 -16.447 -36.003 -15.467 1.00 0.00 C ATOM 1331 CG LEU A 87 -16.240 -36.910 -16.699 1.00 0.00 C ATOM 1332 CD1 LEU A 87 -14.988 -36.440 -17.443 1.00 0.00 C ATOM 1333 CD2 LEU A 87 -16.039 -38.387 -16.353 1.00 0.00 C ATOM 1334 OXT LEU A 87 -19.444 -35.279 -15.958 1.00 0.00 O ATOM 0 H LEU A 87 -18.005 -38.253 -14.264 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.845 -35.369 -13.977 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -16.452 -34.967 -15.807 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.583 -36.120 -14.812 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.147 -36.831 -17.298 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.826 -37.070 -18.317 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.120 -35.406 -17.761 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.124 -36.509 -16.781 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -15.900 -38.960 -17.270 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -15.158 -38.496 -15.720 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.915 -38.759 -15.822 1.00 0.00 H new TER 1346 LEU A 87