USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 962 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 72 HIS : no HD1:sc= -1.57! C(o=-0.6!,f=-8!) USER MOD Set 1.2: B 3 THR OG1 : rot -150:sc= 0.967 USER MOD Set 2.1: A 27 HIS : no HE2:sc= -2.08! C(o=-2.3!,f=-3.9!) USER MOD Set 2.2: B 1 GLN : amide:sc= -0.185 K(o=-2.3,f=-4.2!) USER MOD Set 3.1: A 9 THR OG1 : rot -88:sc= 0.062 USER MOD Set 3.2: A 98 GLN :FLIP amide:sc= -1.19 F(o=-2.9!,f=-1.1) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -80:sc= -0.351 USER MOD Single : A 16 CYS SG : rot 45:sc= 0.13 USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= -0.353! (180deg=-0.397!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 24 TYR OH : rot -148:sc= 1.25 USER MOD Single : A 29 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.56) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.925 K(o=-0.92,f=-4.9!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -83:sc= 1.22 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.432 K(o=0.43,f=-5.9!) USER MOD Single : A 66 ASN : amide:sc= -3.54! C(o=-3.5!,f=-8!) USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= 1.33 (180deg=0.517) USER MOD Single : A 71 THR OG1 : rot -172:sc= -2.38! USER MOD Single : A 73 GLN :FLIP amide:sc= -0.319 F(o=-4!,f=-0.32) USER MOD Single : A 74 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.76) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.444 USER MOD Single : A 100 GLN : amide:sc=-7.84e-05 K(o=-7.8e-05,f=-0.89) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.0969 (180deg=-0.403) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 114 GLN : amide:sc= -0.0957 K(o=-0.096,f=-4!) USER MOD Single : A 119 GLN : amide:sc= 0.263 K(o=0.26,f=-0.41) USER MOD Single : B 1 GLN N :NH3+ 146:sc= 0.0359 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -18.160 -19.209 4.659 1.00 0.00 N ATOM 2 CA GLY A 4 -16.927 -19.275 5.484 1.00 0.00 C ATOM 3 C GLY A 4 -15.838 -18.383 4.934 1.00 0.00 C ATOM 4 O GLY A 4 -15.333 -17.503 5.632 1.00 0.00 O ATOM 0 HA2 GLY A 4 -17.158 -18.979 6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.570 -20.304 5.523 1.00 0.00 H new ATOM 10 N ILE A 5 -15.480 -18.606 3.678 1.00 0.00 N ATOM 11 CA ILE A 5 -14.505 -17.771 2.999 1.00 0.00 C ATOM 12 C ILE A 5 -15.180 -16.980 1.890 1.00 0.00 C ATOM 13 O ILE A 5 -16.369 -17.165 1.622 1.00 0.00 O ATOM 14 CB ILE A 5 -13.329 -18.603 2.421 1.00 0.00 C ATOM 15 CG1 ILE A 5 -13.820 -19.739 1.508 1.00 0.00 C ATOM 16 CG2 ILE A 5 -12.475 -19.162 3.549 1.00 0.00 C ATOM 17 CD1 ILE A 5 -14.103 -19.317 0.078 1.00 0.00 C ATOM 0 H ILE A 5 -15.854 -19.364 3.107 1.00 0.00 H new ATOM 0 HA ILE A 5 -14.089 -17.084 3.736 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.724 -17.933 1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.071 -20.531 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.728 -20.165 1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.654 -19.743 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.072 -18.341 4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -13.086 -19.803 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.444 -20.179 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -14.876 -18.548 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.193 -18.920 -0.371 1.00 0.00 H new ATOM 29 N ASP A 6 -14.423 -16.108 1.254 1.00 0.00 N ATOM 30 CA ASP A 6 -14.940 -15.274 0.187 1.00 0.00 C ATOM 31 C ASP A 6 -13.991 -15.310 -1.007 1.00 0.00 C ATOM 32 O ASP A 6 -12.810 -15.631 -0.858 1.00 0.00 O ATOM 33 CB ASP A 6 -15.108 -13.840 0.685 1.00 0.00 C ATOM 34 CG ASP A 6 -13.814 -13.056 0.671 1.00 0.00 C ATOM 35 OD1 ASP A 6 -12.952 -13.305 1.536 1.00 0.00 O ATOM 36 OD2 ASP A 6 -13.660 -12.195 -0.215 1.00 0.00 O ATOM 0 H ASP A 6 -13.436 -15.958 1.461 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.912 -15.655 -0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.843 -13.329 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -15.505 -13.857 1.700 1.00 0.00 H new ATOM 41 N PRO A 7 -14.493 -14.997 -2.214 1.00 0.00 N ATOM 42 CA PRO A 7 -13.709 -15.065 -3.443 1.00 0.00 C ATOM 43 C PRO A 7 -12.854 -13.828 -3.689 1.00 0.00 C ATOM 44 O PRO A 7 -12.277 -13.674 -4.765 1.00 0.00 O ATOM 45 CB PRO A 7 -14.769 -15.199 -4.549 1.00 0.00 C ATOM 46 CG PRO A 7 -16.102 -15.146 -3.865 1.00 0.00 C ATOM 47 CD PRO A 7 -15.866 -14.579 -2.494 1.00 0.00 C ATOM 0 HA PRO A 7 -12.998 -15.890 -3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.674 -14.394 -5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.648 -16.136 -5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -16.799 -14.524 -4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.543 -16.141 -3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -15.972 -13.494 -2.479 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.569 -14.978 -1.763 1.00 0.00 H new ATOM 55 N PHE A 8 -12.776 -12.971 -2.675 1.00 0.00 N ATOM 56 CA PHE A 8 -12.073 -11.697 -2.754 1.00 0.00 C ATOM 57 C PHE A 8 -12.496 -10.910 -3.988 1.00 0.00 C ATOM 58 O PHE A 8 -11.773 -10.837 -4.982 1.00 0.00 O ATOM 59 CB PHE A 8 -10.562 -11.912 -2.715 1.00 0.00 C ATOM 60 CG PHE A 8 -10.068 -12.403 -1.384 1.00 0.00 C ATOM 61 CD1 PHE A 8 -9.969 -11.536 -0.309 1.00 0.00 C ATOM 62 CD2 PHE A 8 -9.704 -13.727 -1.209 1.00 0.00 C ATOM 63 CE1 PHE A 8 -9.517 -11.980 0.916 1.00 0.00 C ATOM 64 CE2 PHE A 8 -9.250 -14.176 0.016 1.00 0.00 C ATOM 65 CZ PHE A 8 -9.156 -13.302 1.079 1.00 0.00 C ATOM 0 H PHE A 8 -13.204 -13.145 -1.766 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.347 -11.102 -1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.284 -12.630 -3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.062 -10.974 -2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.249 -10.500 -0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.776 -14.415 -2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.446 -11.294 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.969 -15.211 0.141 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.801 -13.652 2.037 1.00 0.00 H new ATOM 75 N THR A 9 -13.677 -10.323 -3.905 1.00 0.00 N ATOM 76 CA THR A 9 -14.261 -9.591 -5.015 1.00 0.00 C ATOM 77 C THR A 9 -14.386 -8.110 -4.670 1.00 0.00 C ATOM 78 O THR A 9 -14.634 -7.759 -3.515 1.00 0.00 O ATOM 79 CB THR A 9 -15.642 -10.185 -5.380 1.00 0.00 C ATOM 80 OG1 THR A 9 -16.314 -9.372 -6.356 1.00 0.00 O ATOM 81 CG2 THR A 9 -16.511 -10.344 -4.138 1.00 0.00 C ATOM 0 H THR A 9 -14.258 -10.340 -3.067 1.00 0.00 H new ATOM 0 HA THR A 9 -13.605 -9.686 -5.880 1.00 0.00 H new ATOM 0 HB THR A 9 -15.473 -11.171 -5.813 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.830 -8.674 -5.901 1.00 0.00 H new ATOM 0 HG21 THR A 9 -17.477 -10.763 -4.421 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.018 -11.012 -3.432 1.00 0.00 H new ATOM 0 HG23 THR A 9 -16.661 -9.370 -3.672 1.00 0.00 H new ATOM 89 N MET A 10 -14.217 -7.252 -5.681 1.00 0.00 N ATOM 90 CA MET A 10 -14.169 -5.801 -5.488 1.00 0.00 C ATOM 91 C MET A 10 -13.045 -5.439 -4.532 1.00 0.00 C ATOM 92 O MET A 10 -13.274 -5.060 -3.385 1.00 0.00 O ATOM 93 CB MET A 10 -15.505 -5.241 -4.986 1.00 0.00 C ATOM 94 CG MET A 10 -16.577 -5.163 -6.058 1.00 0.00 C ATOM 95 SD MET A 10 -18.096 -4.394 -5.469 1.00 0.00 S ATOM 96 CE MET A 10 -19.103 -4.471 -6.947 1.00 0.00 C ATOM 0 H MET A 10 -14.110 -7.543 -6.653 1.00 0.00 H new ATOM 0 HA MET A 10 -13.975 -5.345 -6.459 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.866 -5.865 -4.169 1.00 0.00 H new ATOM 0 HB3 MET A 10 -15.340 -4.244 -4.577 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.194 -4.598 -6.908 1.00 0.00 H new ATOM 0 HG3 MET A 10 -16.799 -6.168 -6.417 1.00 0.00 H new ATOM 0 HE1 MET A 10 -20.080 -4.032 -6.745 1.00 0.00 H new ATOM 0 HE2 MET A 10 -18.615 -3.917 -7.749 1.00 0.00 H new ATOM 0 HE3 MET A 10 -19.228 -5.511 -7.248 1.00 0.00 H new ATOM 106 N LEU A 11 -11.829 -5.565 -5.025 1.00 0.00 N ATOM 107 CA LEU A 11 -10.644 -5.361 -4.209 1.00 0.00 C ATOM 108 C LEU A 11 -10.445 -3.878 -3.913 1.00 0.00 C ATOM 109 O LEU A 11 -10.575 -3.036 -4.806 1.00 0.00 O ATOM 110 CB LEU A 11 -9.402 -5.936 -4.906 1.00 0.00 C ATOM 111 CG LEU A 11 -9.435 -7.447 -5.195 1.00 0.00 C ATOM 112 CD1 LEU A 11 -9.947 -8.217 -3.985 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.272 -7.755 -6.430 1.00 0.00 C ATOM 0 H LEU A 11 -11.633 -5.810 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.786 -5.887 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.261 -5.408 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.530 -5.723 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.414 -7.771 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.962 -9.283 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.290 -8.036 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.956 -7.884 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.276 -8.830 -6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.294 -7.410 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.846 -7.246 -7.294 1.00 0.00 H new ATOM 125 N PRO A 12 -10.149 -3.542 -2.644 1.00 0.00 N ATOM 126 CA PRO A 12 -9.909 -2.160 -2.221 1.00 0.00 C ATOM 127 C PRO A 12 -8.731 -1.537 -2.959 1.00 0.00 C ATOM 128 O PRO A 12 -7.686 -2.168 -3.134 1.00 0.00 O ATOM 129 CB PRO A 12 -9.611 -2.278 -0.721 1.00 0.00 C ATOM 130 CG PRO A 12 -9.245 -3.706 -0.509 1.00 0.00 C ATOM 131 CD PRO A 12 -10.029 -4.485 -1.523 1.00 0.00 C ATOM 0 HA PRO A 12 -10.759 -1.513 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.797 -1.615 -0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.480 -2.001 -0.124 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.174 -3.859 -0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.490 -4.026 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.512 -5.398 -1.818 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.005 -4.781 -1.138 1.00 0.00 H new ATOM 139 N ARG A 13 -8.899 -0.297 -3.379 1.00 0.00 N ATOM 140 CA ARG A 13 -7.909 0.366 -4.208 1.00 0.00 C ATOM 141 C ARG A 13 -7.006 1.266 -3.371 1.00 0.00 C ATOM 142 O ARG A 13 -7.481 2.099 -2.607 1.00 0.00 O ATOM 143 CB ARG A 13 -8.635 1.163 -5.294 1.00 0.00 C ATOM 144 CG ARG A 13 -7.744 2.079 -6.110 1.00 0.00 C ATOM 145 CD ARG A 13 -8.495 2.662 -7.297 1.00 0.00 C ATOM 146 NE ARG A 13 -9.776 3.263 -6.915 1.00 0.00 N ATOM 147 CZ ARG A 13 -10.920 3.048 -7.570 1.00 0.00 C ATOM 148 NH1 ARG A 13 -10.946 2.222 -8.610 1.00 0.00 N ATOM 149 NH2 ARG A 13 -12.039 3.643 -7.181 1.00 0.00 N ATOM 0 H ARG A 13 -9.715 0.274 -3.159 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.266 -0.380 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.130 0.464 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.416 1.761 -4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.373 2.886 -5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.874 1.525 -6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.874 3.416 -7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.671 1.876 -8.032 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.795 3.880 -6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.092 1.751 -8.909 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.820 2.058 -9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.030 4.270 -6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.909 3.474 -7.686 1.00 0.00 H new ATOM 163 N LEU A 14 -5.703 1.085 -3.520 1.00 0.00 N ATOM 164 CA LEU A 14 -4.725 1.907 -2.820 1.00 0.00 C ATOM 165 C LEU A 14 -4.040 2.837 -3.812 1.00 0.00 C ATOM 166 O LEU A 14 -3.339 2.378 -4.717 1.00 0.00 O ATOM 167 CB LEU A 14 -3.690 1.018 -2.119 1.00 0.00 C ATOM 168 CG LEU A 14 -2.623 1.764 -1.316 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.253 2.524 -0.158 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.568 0.795 -0.807 1.00 0.00 C ATOM 0 H LEU A 14 -5.295 0.371 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.233 2.505 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.215 0.337 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.193 0.405 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.141 2.486 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.476 3.047 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.971 3.247 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.764 1.823 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.816 1.342 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.038 0.050 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.092 0.298 -1.652 1.00 0.00 H new ATOM 182 N CYS A 15 -4.247 4.135 -3.656 1.00 0.00 N ATOM 183 CA CYS A 15 -3.721 5.099 -4.607 1.00 0.00 C ATOM 184 C CYS A 15 -2.651 5.974 -3.973 1.00 0.00 C ATOM 185 O CYS A 15 -2.877 6.594 -2.935 1.00 0.00 O ATOM 186 CB CYS A 15 -4.853 5.967 -5.155 1.00 0.00 C ATOM 187 SG CYS A 15 -6.071 5.059 -6.130 1.00 0.00 S ATOM 0 H CYS A 15 -4.773 4.543 -2.883 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.262 4.547 -5.427 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.360 6.453 -4.321 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.425 6.757 -5.772 1.00 0.00 H new ATOM 0 HG CYS A 15 -5.610 4.866 -7.330 1.00 0.00 H new ATOM 193 N CYS A 16 -1.481 6.006 -4.589 1.00 0.00 N ATOM 194 CA CYS A 16 -0.423 6.894 -4.148 1.00 0.00 C ATOM 195 C CYS A 16 -0.554 8.239 -4.854 1.00 0.00 C ATOM 196 O CYS A 16 -0.256 8.369 -6.043 1.00 0.00 O ATOM 197 CB CYS A 16 0.948 6.262 -4.413 1.00 0.00 C ATOM 198 SG CYS A 16 1.109 5.498 -6.047 1.00 0.00 S ATOM 0 H CYS A 16 -1.242 5.428 -5.394 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.513 7.057 -3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.716 7.028 -4.305 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.141 5.507 -3.651 1.00 0.00 H new ATOM 0 HG CYS A 16 0.616 6.294 -6.949 1.00 0.00 H new ATOM 204 N LEU A 17 -1.010 9.231 -4.110 1.00 0.00 N ATOM 205 CA LEU A 17 -1.254 10.553 -4.656 1.00 0.00 C ATOM 206 C LEU A 17 -0.019 11.430 -4.528 1.00 0.00 C ATOM 207 O LEU A 17 0.574 11.528 -3.454 1.00 0.00 O ATOM 208 CB LEU A 17 -2.430 11.214 -3.935 1.00 0.00 C ATOM 209 CG LEU A 17 -3.690 11.406 -4.778 1.00 0.00 C ATOM 210 CD1 LEU A 17 -3.377 12.231 -6.013 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.288 10.062 -5.163 1.00 0.00 C ATOM 0 H LEU A 17 -1.220 9.143 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.494 10.442 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.685 10.612 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.108 12.188 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.427 11.945 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.284 12.360 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.999 13.208 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.624 11.719 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.184 10.221 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.561 9.492 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.549 9.508 -4.261 1.00 0.00 H new ATOM 223 N GLU A 18 0.363 12.053 -5.630 1.00 0.00 N ATOM 224 CA GLU A 18 1.482 12.977 -5.637 1.00 0.00 C ATOM 225 C GLU A 18 0.962 14.408 -5.627 1.00 0.00 C ATOM 226 O GLU A 18 0.030 14.742 -6.357 1.00 0.00 O ATOM 227 CB GLU A 18 2.361 12.728 -6.864 1.00 0.00 C ATOM 228 CG GLU A 18 3.591 13.619 -6.924 1.00 0.00 C ATOM 229 CD GLU A 18 4.568 13.187 -7.995 1.00 0.00 C ATOM 230 OE1 GLU A 18 4.365 13.539 -9.178 1.00 0.00 O ATOM 231 OE2 GLU A 18 5.546 12.489 -7.659 1.00 0.00 O ATOM 0 H GLU A 18 -0.089 11.934 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 18 2.089 12.819 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.678 11.685 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.766 12.883 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.282 14.647 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.091 13.609 -5.955 1.00 0.00 H new ATOM 238 N LYS A 19 1.535 15.231 -4.761 1.00 0.00 N ATOM 239 CA LYS A 19 1.139 16.624 -4.638 1.00 0.00 C ATOM 240 C LYS A 19 1.388 17.390 -5.931 1.00 0.00 C ATOM 241 O LYS A 19 2.484 17.358 -6.492 1.00 0.00 O ATOM 242 CB LYS A 19 1.894 17.293 -3.488 1.00 0.00 C ATOM 243 CG LYS A 19 1.626 18.787 -3.368 1.00 0.00 C ATOM 244 CD LYS A 19 0.504 19.107 -2.389 1.00 0.00 C ATOM 245 CE LYS A 19 -0.820 18.462 -2.767 1.00 0.00 C ATOM 246 NZ LYS A 19 -1.924 18.902 -1.868 1.00 0.00 N ATOM 0 H LYS A 19 2.284 14.953 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 19 0.069 16.645 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.618 16.807 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.964 17.134 -3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.538 19.291 -3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.371 19.186 -4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.793 18.772 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.373 20.188 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.067 18.716 -3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.723 17.377 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.814 18.455 -2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.707 18.623 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.022 19.936 -1.919 1.00 0.00 H new ATOM 260 N GLY A 20 0.362 18.086 -6.384 1.00 0.00 N ATOM 261 CA GLY A 20 0.478 18.901 -7.572 1.00 0.00 C ATOM 262 C GLY A 20 0.600 20.366 -7.219 1.00 0.00 C ATOM 263 O GLY A 20 0.650 20.704 -6.032 1.00 0.00 O ATOM 0 H GLY A 20 -0.559 18.101 -5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.350 18.589 -8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.394 18.749 -8.208 1.00 0.00 H new ATOM 267 N PRO A 21 0.625 21.259 -8.222 1.00 0.00 N ATOM 268 CA PRO A 21 0.810 22.702 -8.014 1.00 0.00 C ATOM 269 C PRO A 21 -0.137 23.287 -6.964 1.00 0.00 C ATOM 270 O PRO A 21 0.294 23.989 -6.049 1.00 0.00 O ATOM 271 CB PRO A 21 0.519 23.314 -9.395 1.00 0.00 C ATOM 272 CG PRO A 21 -0.061 22.212 -10.218 1.00 0.00 C ATOM 273 CD PRO A 21 0.477 20.934 -9.646 1.00 0.00 C ATOM 0 HA PRO A 21 1.809 22.918 -7.636 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.178 24.148 -9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.430 23.703 -9.850 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.150 22.228 -10.178 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.221 22.319 -11.265 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.207 20.100 -9.803 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.428 20.656 -10.099 1.00 0.00 H new ATOM 281 N ASN A 22 -1.423 22.990 -7.086 1.00 0.00 N ATOM 282 CA ASN A 22 -2.414 23.526 -6.157 1.00 0.00 C ATOM 283 C ASN A 22 -3.107 22.407 -5.391 1.00 0.00 C ATOM 284 O ASN A 22 -4.154 22.616 -4.777 1.00 0.00 O ATOM 285 CB ASN A 22 -3.452 24.380 -6.898 1.00 0.00 C ATOM 286 CG ASN A 22 -4.167 23.618 -7.995 1.00 0.00 C ATOM 287 OD1 ASN A 22 -5.182 22.959 -7.761 1.00 0.00 O ATOM 288 ND2 ASN A 22 -3.656 23.725 -9.211 1.00 0.00 N ATOM 0 H ASN A 22 -1.805 22.385 -7.813 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.889 24.159 -5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.186 24.752 -6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.958 25.250 -7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.104 23.252 -9.996 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.814 24.280 -9.363 1.00 0.00 H new ATOM 295 N GLY A 23 -2.516 21.221 -5.413 1.00 0.00 N ATOM 296 CA GLY A 23 -3.103 20.104 -4.710 1.00 0.00 C ATOM 297 C GLY A 23 -3.049 18.816 -5.500 1.00 0.00 C ATOM 298 O GLY A 23 -2.419 18.751 -6.553 1.00 0.00 O ATOM 0 H GLY A 23 -1.645 21.015 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.583 19.965 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.141 20.336 -4.473 1.00 0.00 H new ATOM 302 N TYR A 24 -3.704 17.792 -4.978 1.00 0.00 N ATOM 303 CA TYR A 24 -3.752 16.490 -5.617 1.00 0.00 C ATOM 304 C TYR A 24 -4.782 16.504 -6.733 1.00 0.00 C ATOM 305 O TYR A 24 -4.662 15.769 -7.711 1.00 0.00 O ATOM 306 CB TYR A 24 -4.092 15.400 -4.596 1.00 0.00 C ATOM 307 CG TYR A 24 -3.130 15.330 -3.433 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.821 14.916 -3.617 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.535 15.676 -2.151 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.937 14.856 -2.559 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.656 15.619 -1.087 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.360 15.205 -1.295 1.00 0.00 C ATOM 313 OH TYR A 24 -0.483 15.151 -0.235 1.00 0.00 O ATOM 0 H TYR A 24 -4.218 17.842 -4.098 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.771 16.270 -6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.097 15.575 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.107 14.434 -5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.487 14.636 -4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.553 15.995 -1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.082 14.537 -2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.984 15.898 -0.097 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.972 14.924 0.583 1.00 0.00 H new ATOM 323 N GLY A 25 -5.807 17.333 -6.570 1.00 0.00 N ATOM 324 CA GLY A 25 -6.734 17.570 -7.654 1.00 0.00 C ATOM 325 C GLY A 25 -8.160 17.150 -7.363 1.00 0.00 C ATOM 326 O GLY A 25 -8.983 17.083 -8.278 1.00 0.00 O ATOM 0 H GLY A 25 -6.010 17.842 -5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.724 18.632 -7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.384 17.036 -8.538 1.00 0.00 H new ATOM 330 N PHE A 26 -8.484 16.881 -6.108 1.00 0.00 N ATOM 331 CA PHE A 26 -9.852 16.534 -5.758 1.00 0.00 C ATOM 332 C PHE A 26 -10.253 17.250 -4.488 1.00 0.00 C ATOM 333 O PHE A 26 -9.406 17.608 -3.681 1.00 0.00 O ATOM 334 CB PHE A 26 -10.026 15.016 -5.592 1.00 0.00 C ATOM 335 CG PHE A 26 -9.104 14.387 -4.578 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.798 14.076 -4.913 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.546 14.100 -3.297 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.949 13.490 -3.994 1.00 0.00 C ATOM 339 CE2 PHE A 26 -8.701 13.514 -2.371 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.401 13.210 -2.720 1.00 0.00 C ATOM 0 H PHE A 26 -7.830 16.896 -5.326 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.501 16.852 -6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -11.057 14.811 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.864 14.537 -6.558 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.437 14.294 -5.907 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.562 14.336 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.933 13.251 -4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.059 13.295 -1.376 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.739 12.754 -1.999 1.00 0.00 H new ATOM 350 N HIS A 27 -11.539 17.474 -4.313 1.00 0.00 N ATOM 351 CA HIS A 27 -12.014 18.102 -3.098 1.00 0.00 C ATOM 352 C HIS A 27 -12.870 17.132 -2.306 1.00 0.00 C ATOM 353 O HIS A 27 -13.741 16.452 -2.858 1.00 0.00 O ATOM 354 CB HIS A 27 -12.762 19.420 -3.371 1.00 0.00 C ATOM 355 CG HIS A 27 -13.913 19.326 -4.328 1.00 0.00 C ATOM 356 ND1 HIS A 27 -15.223 19.202 -3.921 1.00 0.00 N ATOM 357 CD2 HIS A 27 -13.947 19.397 -5.680 1.00 0.00 C ATOM 358 CE1 HIS A 27 -16.010 19.203 -4.982 1.00 0.00 C ATOM 359 NE2 HIS A 27 -15.261 19.321 -6.061 1.00 0.00 N ATOM 0 H HIS A 27 -12.266 17.234 -4.987 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.141 18.365 -2.500 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -13.132 19.810 -2.423 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -12.049 20.148 -3.758 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -15.536 19.122 -2.953 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.095 19.495 -6.337 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -17.087 19.121 -4.968 1.00 0.00 H new ATOM 368 N LEU A 28 -12.605 17.077 -1.016 1.00 0.00 N ATOM 369 CA LEU A 28 -13.286 16.169 -0.118 1.00 0.00 C ATOM 370 C LEU A 28 -14.395 16.940 0.568 1.00 0.00 C ATOM 371 O LEU A 28 -14.148 17.985 1.160 1.00 0.00 O ATOM 372 CB LEU A 28 -12.278 15.623 0.914 1.00 0.00 C ATOM 373 CG LEU A 28 -12.662 14.335 1.666 1.00 0.00 C ATOM 374 CD1 LEU A 28 -13.861 14.548 2.578 1.00 0.00 C ATOM 375 CD2 LEU A 28 -12.930 13.204 0.686 1.00 0.00 C ATOM 0 H LEU A 28 -11.907 17.665 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.710 15.323 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.333 15.444 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.096 16.403 1.653 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.817 14.060 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.099 13.615 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.626 15.316 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.718 14.865 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.200 12.302 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.749 13.483 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.034 13.014 0.095 1.00 0.00 H new ATOM 387 N HIS A 29 -15.612 16.443 0.476 1.00 0.00 N ATOM 388 CA HIS A 29 -16.735 17.117 1.084 1.00 0.00 C ATOM 389 C HIS A 29 -17.183 16.338 2.305 1.00 0.00 C ATOM 390 O HIS A 29 -17.367 15.121 2.242 1.00 0.00 O ATOM 391 CB HIS A 29 -17.873 17.266 0.071 1.00 0.00 C ATOM 392 CG HIS A 29 -19.123 17.866 0.638 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.422 19.209 0.566 1.00 0.00 N ATOM 394 CD2 HIS A 29 -20.155 17.288 1.286 1.00 0.00 C ATOM 395 CE1 HIS A 29 -20.586 19.428 1.146 1.00 0.00 C ATOM 396 NE2 HIS A 29 -21.051 18.279 1.591 1.00 0.00 N ATOM 0 H HIS A 29 -15.845 15.578 -0.012 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.439 18.118 1.398 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.529 17.886 -0.757 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -18.109 16.285 -0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -20.256 16.239 1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.075 20.386 1.240 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -21.935 18.148 2.083 1.00 0.00 H new ATOM 405 N GLY A 30 -17.339 17.037 3.413 1.00 0.00 N ATOM 406 CA GLY A 30 -17.695 16.382 4.647 1.00 0.00 C ATOM 407 C GLY A 30 -19.018 16.864 5.184 1.00 0.00 C ATOM 408 O GLY A 30 -19.381 18.028 5.016 1.00 0.00 O ATOM 0 H GLY A 30 -17.225 18.048 3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.741 15.305 4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.917 16.560 5.389 1.00 0.00 H new ATOM 412 N GLU A 31 -19.740 15.961 5.813 1.00 0.00 N ATOM 413 CA GLU A 31 -21.011 16.287 6.426 1.00 0.00 C ATOM 414 C GLU A 31 -20.945 16.015 7.927 1.00 0.00 C ATOM 415 O GLU A 31 -20.078 15.270 8.390 1.00 0.00 O ATOM 416 CB GLU A 31 -22.143 15.512 5.742 1.00 0.00 C ATOM 417 CG GLU A 31 -21.791 14.076 5.388 1.00 0.00 C ATOM 418 CD GLU A 31 -22.568 13.579 4.183 1.00 0.00 C ATOM 419 OE1 GLU A 31 -23.810 13.486 4.267 1.00 0.00 O ATOM 420 OE2 GLU A 31 -21.941 13.306 3.134 1.00 0.00 O ATOM 0 H GLU A 31 -19.464 14.984 5.914 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.224 17.348 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -23.014 15.510 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.430 16.039 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.723 14.005 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -21.997 13.431 6.243 1.00 0.00 H new ATOM 427 N LYS A 32 -21.847 16.643 8.674 1.00 0.00 N ATOM 428 CA LYS A 32 -21.782 16.648 10.132 1.00 0.00 C ATOM 429 C LYS A 32 -21.961 15.253 10.717 1.00 0.00 C ATOM 430 O LYS A 32 -22.929 14.551 10.415 1.00 0.00 O ATOM 431 CB LYS A 32 -22.839 17.593 10.709 1.00 0.00 C ATOM 432 CG LYS A 32 -22.776 17.726 12.223 1.00 0.00 C ATOM 433 CD LYS A 32 -23.904 18.590 12.756 1.00 0.00 C ATOM 434 CE LYS A 32 -25.262 17.979 12.453 1.00 0.00 C ATOM 435 NZ LYS A 32 -26.379 18.853 12.893 1.00 0.00 N ATOM 0 H LYS A 32 -22.638 17.159 8.290 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.788 17.000 10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.716 18.579 10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -23.828 17.235 10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.828 16.737 12.678 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.818 18.159 12.511 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -23.791 18.714 13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.844 19.584 12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -25.346 17.796 11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.342 17.012 12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -27.286 18.397 12.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -26.315 19.007 13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -26.319 19.767 12.401 1.00 0.00 H new ATOM 449 N GLY A 33 -21.021 14.880 11.568 1.00 0.00 N ATOM 450 CA GLY A 33 -21.044 13.587 12.215 1.00 0.00 C ATOM 451 C GLY A 33 -19.649 13.177 12.619 1.00 0.00 C ATOM 452 O GLY A 33 -18.909 13.980 13.188 1.00 0.00 O ATOM 0 H GLY A 33 -20.226 15.464 11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.688 13.624 13.094 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -21.468 12.843 11.540 1.00 0.00 H new ATOM 456 N LYS A 34 -19.283 11.945 12.329 1.00 0.00 N ATOM 457 CA LYS A 34 -17.912 11.497 12.520 1.00 0.00 C ATOM 458 C LYS A 34 -17.317 11.112 11.180 1.00 0.00 C ATOM 459 O LYS A 34 -16.488 11.823 10.618 1.00 0.00 O ATOM 460 CB LYS A 34 -17.840 10.303 13.478 1.00 0.00 C ATOM 461 CG LYS A 34 -18.185 10.634 14.920 1.00 0.00 C ATOM 462 CD LYS A 34 -17.914 9.450 15.831 1.00 0.00 C ATOM 463 CE LYS A 34 -18.078 9.822 17.296 1.00 0.00 C ATOM 464 NZ LYS A 34 -17.718 8.695 18.198 1.00 0.00 N ATOM 0 H LYS A 34 -19.914 11.233 11.960 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.344 12.316 12.961 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -18.519 9.527 13.124 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.834 9.886 13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.600 11.492 15.250 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -19.235 10.918 14.990 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.595 8.636 15.583 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.902 9.082 15.659 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.451 10.684 17.524 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -19.110 10.120 17.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.843 8.989 19.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.333 7.880 17.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.726 8.427 18.039 1.00 0.00 H new ATOM 478 N LEU A 35 -17.787 9.995 10.660 1.00 0.00 N ATOM 479 CA LEU A 35 -17.306 9.475 9.397 1.00 0.00 C ATOM 480 C LEU A 35 -18.211 9.907 8.253 1.00 0.00 C ATOM 481 O LEU A 35 -19.434 9.929 8.386 1.00 0.00 O ATOM 482 CB LEU A 35 -17.179 7.950 9.461 1.00 0.00 C ATOM 483 CG LEU A 35 -18.111 7.236 10.449 1.00 0.00 C ATOM 484 CD1 LEU A 35 -19.526 7.135 9.903 1.00 0.00 C ATOM 485 CD2 LEU A 35 -17.566 5.858 10.789 1.00 0.00 C ATOM 0 H LEU A 35 -18.510 9.425 11.100 1.00 0.00 H new ATOM 0 HA LEU A 35 -16.316 9.889 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.363 7.548 8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.150 7.702 9.720 1.00 0.00 H new ATOM 0 HG LEU A 35 -18.152 7.830 11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -20.160 6.624 10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -19.918 8.136 9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.516 6.573 8.969 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -18.238 5.364 11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.489 5.262 9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.579 5.958 11.241 1.00 0.00 H new ATOM 497 N GLY A 36 -17.594 10.268 7.139 1.00 0.00 N ATOM 498 CA GLY A 36 -18.341 10.757 6.000 1.00 0.00 C ATOM 499 C GLY A 36 -17.443 11.452 5.002 1.00 0.00 C ATOM 500 O GLY A 36 -17.692 12.594 4.610 1.00 0.00 O ATOM 0 H GLY A 36 -16.584 10.231 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -18.851 9.925 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.112 11.448 6.340 1.00 0.00 H new ATOM 504 N GLN A 37 -16.385 10.768 4.601 1.00 0.00 N ATOM 505 CA GLN A 37 -15.432 11.319 3.654 1.00 0.00 C ATOM 506 C GLN A 37 -15.736 10.797 2.258 1.00 0.00 C ATOM 507 O GLN A 37 -15.646 9.593 2.009 1.00 0.00 O ATOM 508 CB GLN A 37 -13.998 10.931 4.041 1.00 0.00 C ATOM 509 CG GLN A 37 -13.520 11.472 5.386 1.00 0.00 C ATOM 510 CD GLN A 37 -14.193 10.824 6.586 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.656 9.685 6.519 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.234 11.540 7.697 1.00 0.00 N ATOM 0 H GLN A 37 -16.164 9.824 4.919 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.519 12.405 3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.925 9.844 4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.320 11.284 3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.443 11.325 5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.699 12.547 5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.839 12.480 7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.660 11.152 8.538 1.00 0.00 H new ATOM 521 N TYR A 38 -16.089 11.698 1.352 1.00 0.00 N ATOM 522 CA TYR A 38 -16.460 11.305 0.001 1.00 0.00 C ATOM 523 C TYR A 38 -15.824 12.215 -1.033 1.00 0.00 C ATOM 524 O TYR A 38 -15.849 13.444 -0.897 1.00 0.00 O ATOM 525 CB TYR A 38 -17.983 11.343 -0.163 1.00 0.00 C ATOM 526 CG TYR A 38 -18.705 10.362 0.726 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.727 9.012 0.413 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.344 10.779 1.886 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.373 8.105 1.226 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.990 9.877 2.707 1.00 0.00 C ATOM 531 CZ TYR A 38 -20.001 8.540 2.374 1.00 0.00 C ATOM 532 OH TYR A 38 -20.640 7.631 3.189 1.00 0.00 O ATOM 0 H TYR A 38 -16.126 12.702 1.527 1.00 0.00 H new ATOM 0 HA TYR A 38 -16.097 10.290 -0.158 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.340 12.350 0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -18.235 11.133 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -18.231 8.665 -0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.335 11.826 2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.387 7.057 0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.484 10.217 3.605 1.00 0.00 H new ATOM 0 HH TYR A 38 -21.031 8.098 3.957 1.00 0.00 H new ATOM 542 N ILE A 39 -15.248 11.605 -2.057 1.00 0.00 N ATOM 543 CA ILE A 39 -14.766 12.348 -3.206 1.00 0.00 C ATOM 544 C ILE A 39 -15.960 12.694 -4.076 1.00 0.00 C ATOM 545 O ILE A 39 -16.644 11.806 -4.572 1.00 0.00 O ATOM 546 CB ILE A 39 -13.762 11.538 -4.049 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.711 10.859 -3.164 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.093 12.446 -5.068 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.864 11.816 -2.360 1.00 0.00 C ATOM 0 H ILE A 39 -15.104 10.597 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.252 13.239 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.309 10.754 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.215 10.176 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.058 10.255 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.384 11.868 -5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.850 12.876 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.565 13.247 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.147 11.253 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.329 12.484 -3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.504 12.403 -1.701 1.00 0.00 H new ATOM 561 N ARG A 40 -16.238 13.970 -4.250 1.00 0.00 N ATOM 562 CA ARG A 40 -17.441 14.350 -4.978 1.00 0.00 C ATOM 563 C ARG A 40 -17.120 14.851 -6.378 1.00 0.00 C ATOM 564 O ARG A 40 -17.995 14.879 -7.245 1.00 0.00 O ATOM 565 CB ARG A 40 -18.264 15.368 -4.184 1.00 0.00 C ATOM 566 CG ARG A 40 -18.857 14.768 -2.914 1.00 0.00 C ATOM 567 CD ARG A 40 -19.950 15.640 -2.320 1.00 0.00 C ATOM 568 NE ARG A 40 -20.582 15.005 -1.158 1.00 0.00 N ATOM 569 CZ ARG A 40 -21.889 14.751 -1.064 1.00 0.00 C ATOM 570 NH1 ARG A 40 -22.706 15.049 -2.068 1.00 0.00 N ATOM 571 NH2 ARG A 40 -22.374 14.188 0.038 1.00 0.00 N ATOM 0 H ARG A 40 -15.669 14.745 -3.910 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.051 13.455 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.633 16.217 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.068 15.751 -4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -19.263 13.781 -3.136 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.066 14.628 -2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.528 16.601 -2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -20.706 15.843 -3.079 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.986 14.741 -0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -22.336 15.475 -2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.704 14.852 -1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.748 13.952 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.372 13.992 0.114 1.00 0.00 H new ATOM 585 N LEU A 41 -15.866 15.225 -6.604 1.00 0.00 N ATOM 586 CA LEU A 41 -15.426 15.659 -7.925 1.00 0.00 C ATOM 587 C LEU A 41 -13.903 15.616 -8.008 1.00 0.00 C ATOM 588 O LEU A 41 -13.208 16.035 -7.076 1.00 0.00 O ATOM 589 CB LEU A 41 -15.956 17.071 -8.225 1.00 0.00 C ATOM 590 CG LEU A 41 -15.971 17.496 -9.703 1.00 0.00 C ATOM 591 CD1 LEU A 41 -14.577 17.843 -10.203 1.00 0.00 C ATOM 592 CD2 LEU A 41 -16.591 16.408 -10.569 1.00 0.00 C ATOM 0 H LEU A 41 -15.137 15.237 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.829 14.980 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.972 17.144 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.352 17.788 -7.669 1.00 0.00 H new ATOM 0 HG LEU A 41 -16.583 18.395 -9.778 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.629 18.138 -11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.174 18.666 -9.614 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.928 16.973 -10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.592 16.729 -11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.010 15.491 -10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -17.615 16.225 -10.245 1.00 0.00 H new ATOM 604 N VAL A 42 -13.402 15.092 -9.120 1.00 0.00 N ATOM 605 CA VAL A 42 -11.967 14.998 -9.371 1.00 0.00 C ATOM 606 C VAL A 42 -11.612 15.792 -10.623 1.00 0.00 C ATOM 607 O VAL A 42 -12.345 15.757 -11.611 1.00 0.00 O ATOM 608 CB VAL A 42 -11.524 13.527 -9.563 1.00 0.00 C ATOM 609 CG1 VAL A 42 -10.024 13.431 -9.808 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.914 12.687 -8.360 1.00 0.00 C ATOM 0 H VAL A 42 -13.979 14.720 -9.874 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.447 15.407 -8.505 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.038 13.139 -10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.743 12.386 -9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.765 13.992 -10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.489 13.846 -8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.593 11.657 -8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.433 13.085 -7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.996 12.715 -8.232 1.00 0.00 H new ATOM 620 N GLU A 43 -10.505 16.516 -10.572 1.00 0.00 N ATOM 621 CA GLU A 43 -10.045 17.296 -11.702 1.00 0.00 C ATOM 622 C GLU A 43 -9.475 16.372 -12.778 1.00 0.00 C ATOM 623 O GLU A 43 -8.689 15.474 -12.479 1.00 0.00 O ATOM 624 CB GLU A 43 -8.973 18.277 -11.236 1.00 0.00 C ATOM 625 CG GLU A 43 -8.653 19.352 -12.248 1.00 0.00 C ATOM 626 CD GLU A 43 -7.539 20.263 -11.790 1.00 0.00 C ATOM 627 OE1 GLU A 43 -7.803 21.175 -10.976 1.00 0.00 O ATOM 628 OE2 GLU A 43 -6.394 20.072 -12.239 1.00 0.00 O ATOM 0 H GLU A 43 -9.905 16.577 -9.749 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.884 17.850 -12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.302 18.748 -10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.062 17.724 -11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.372 18.886 -13.192 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.548 19.945 -12.439 1.00 0.00 H new ATOM 635 N PRO A 44 -9.866 16.583 -14.046 1.00 0.00 N ATOM 636 CA PRO A 44 -9.411 15.753 -15.172 1.00 0.00 C ATOM 637 C PRO A 44 -7.905 15.853 -15.395 1.00 0.00 C ATOM 638 O PRO A 44 -7.295 14.981 -16.014 1.00 0.00 O ATOM 639 CB PRO A 44 -10.170 16.326 -16.374 1.00 0.00 C ATOM 640 CG PRO A 44 -10.540 17.710 -15.966 1.00 0.00 C ATOM 641 CD PRO A 44 -10.787 17.645 -14.488 1.00 0.00 C ATOM 0 HA PRO A 44 -9.604 14.694 -14.998 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.548 16.330 -17.269 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.054 15.731 -16.603 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.741 18.414 -16.199 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.429 18.050 -16.497 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.571 18.596 -14.000 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.825 17.399 -14.262 1.00 0.00 H new ATOM 649 N GLY A 45 -7.314 16.925 -14.888 1.00 0.00 N ATOM 650 CA GLY A 45 -5.886 17.130 -15.026 1.00 0.00 C ATOM 651 C GLY A 45 -5.156 17.014 -13.702 1.00 0.00 C ATOM 652 O GLY A 45 -4.266 17.811 -13.406 1.00 0.00 O ATOM 0 H GLY A 45 -7.802 17.662 -14.379 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.482 16.398 -15.726 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.703 18.116 -15.454 1.00 0.00 H new ATOM 656 N SER A 46 -5.533 16.027 -12.905 1.00 0.00 N ATOM 657 CA SER A 46 -4.916 15.827 -11.608 1.00 0.00 C ATOM 658 C SER A 46 -4.355 14.416 -11.502 1.00 0.00 C ATOM 659 O SER A 46 -4.861 13.489 -12.136 1.00 0.00 O ATOM 660 CB SER A 46 -5.948 16.061 -10.505 1.00 0.00 C ATOM 661 OG SER A 46 -6.975 15.082 -10.539 1.00 0.00 O ATOM 0 H SER A 46 -6.263 15.353 -13.135 1.00 0.00 H new ATOM 0 HA SER A 46 -4.098 16.538 -11.493 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.455 16.039 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.385 17.053 -10.619 1.00 0.00 H new ATOM 0 HG SER A 46 -7.647 15.336 -11.206 1.00 0.00 H new ATOM 667 N PRO A 47 -3.288 14.235 -10.701 1.00 0.00 N ATOM 668 CA PRO A 47 -2.710 12.915 -10.436 1.00 0.00 C ATOM 669 C PRO A 47 -3.687 11.986 -9.718 1.00 0.00 C ATOM 670 O PRO A 47 -3.450 10.784 -9.623 1.00 0.00 O ATOM 671 CB PRO A 47 -1.497 13.211 -9.544 1.00 0.00 C ATOM 672 CG PRO A 47 -1.757 14.559 -8.967 1.00 0.00 C ATOM 673 CD PRO A 47 -2.549 15.306 -10.003 1.00 0.00 C ATOM 0 HA PRO A 47 -2.451 12.399 -11.361 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.392 12.461 -8.760 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.572 13.201 -10.121 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.311 14.483 -8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.823 15.074 -8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.224 16.031 -9.548 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.901 15.858 -10.684 1.00 0.00 H new ATOM 681 N ALA A 48 -4.774 12.554 -9.199 1.00 0.00 N ATOM 682 CA ALA A 48 -5.775 11.782 -8.475 1.00 0.00 C ATOM 683 C ALA A 48 -6.424 10.727 -9.365 1.00 0.00 C ATOM 684 O ALA A 48 -6.445 9.544 -9.019 1.00 0.00 O ATOM 685 CB ALA A 48 -6.833 12.708 -7.899 1.00 0.00 C ATOM 0 H ALA A 48 -4.982 13.550 -9.268 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.270 11.262 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.576 12.121 -7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.364 13.415 -7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.319 13.253 -8.708 1.00 0.00 H new ATOM 691 N GLU A 49 -6.927 11.146 -10.521 1.00 0.00 N ATOM 692 CA GLU A 49 -7.568 10.219 -11.447 1.00 0.00 C ATOM 693 C GLU A 49 -6.522 9.299 -12.070 1.00 0.00 C ATOM 694 O GLU A 49 -6.810 8.156 -12.424 1.00 0.00 O ATOM 695 CB GLU A 49 -8.384 10.972 -12.512 1.00 0.00 C ATOM 696 CG GLU A 49 -7.578 11.897 -13.414 1.00 0.00 C ATOM 697 CD GLU A 49 -7.266 11.274 -14.759 1.00 0.00 C ATOM 698 OE1 GLU A 49 -8.196 11.130 -15.585 1.00 0.00 O ATOM 699 OE2 GLU A 49 -6.098 10.921 -15.000 1.00 0.00 O ATOM 0 H GLU A 49 -6.904 12.115 -10.838 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.274 9.599 -10.894 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.899 10.241 -13.136 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.152 11.560 -12.009 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.132 12.823 -13.567 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.646 12.162 -12.916 1.00 0.00 H new ATOM 706 N LYS A 50 -5.300 9.809 -12.177 1.00 0.00 N ATOM 707 CA LYS A 50 -4.171 9.027 -12.660 1.00 0.00 C ATOM 708 C LYS A 50 -3.841 7.897 -11.688 1.00 0.00 C ATOM 709 O LYS A 50 -3.456 6.798 -12.098 1.00 0.00 O ATOM 710 CB LYS A 50 -2.951 9.932 -12.849 1.00 0.00 C ATOM 711 CG LYS A 50 -3.150 11.006 -13.906 1.00 0.00 C ATOM 712 CD LYS A 50 -1.962 11.952 -13.997 1.00 0.00 C ATOM 713 CE LYS A 50 -0.675 11.210 -14.311 1.00 0.00 C ATOM 714 NZ LYS A 50 0.450 12.144 -14.573 1.00 0.00 N ATOM 0 H LYS A 50 -5.066 10.771 -11.932 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.441 8.586 -13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.712 10.409 -11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.093 9.319 -13.123 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.311 10.534 -14.875 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.050 11.577 -13.676 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.149 12.698 -14.769 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.852 12.489 -13.055 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.419 10.557 -13.476 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.827 10.571 -15.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.311 11.600 -14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.216 12.750 -15.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.612 12.737 -13.734 1.00 0.00 H new ATOM 728 N ALA A 51 -3.989 8.177 -10.397 1.00 0.00 N ATOM 729 CA ALA A 51 -3.774 7.175 -9.361 1.00 0.00 C ATOM 730 C ALA A 51 -4.884 6.127 -9.380 1.00 0.00 C ATOM 731 O ALA A 51 -4.688 4.989 -8.953 1.00 0.00 O ATOM 732 CB ALA A 51 -3.693 7.841 -7.994 1.00 0.00 C ATOM 0 H ALA A 51 -4.258 9.095 -10.043 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.829 6.670 -9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.532 7.082 -7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.864 8.549 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.624 8.369 -7.791 1.00 0.00 H new ATOM 738 N GLY A 52 -6.049 6.518 -9.882 1.00 0.00 N ATOM 739 CA GLY A 52 -7.173 5.603 -9.965 1.00 0.00 C ATOM 740 C GLY A 52 -8.354 6.091 -9.158 1.00 0.00 C ATOM 741 O GLY A 52 -9.456 5.552 -9.263 1.00 0.00 O ATOM 0 H GLY A 52 -6.236 7.457 -10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.469 5.484 -11.007 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.869 4.620 -9.606 1.00 0.00 H new ATOM 745 N LEU A 53 -8.109 7.118 -8.353 1.00 0.00 N ATOM 746 CA LEU A 53 -9.133 7.715 -7.506 1.00 0.00 C ATOM 747 C LEU A 53 -10.240 8.315 -8.357 1.00 0.00 C ATOM 748 O LEU A 53 -9.994 9.103 -9.273 1.00 0.00 O ATOM 749 CB LEU A 53 -8.485 8.767 -6.593 1.00 0.00 C ATOM 750 CG LEU A 53 -9.380 9.376 -5.509 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.539 9.760 -4.307 1.00 0.00 C ATOM 752 CD2 LEU A 53 -10.111 10.601 -6.035 1.00 0.00 C ATOM 0 H LEU A 53 -7.194 7.560 -8.269 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.587 6.948 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.622 8.312 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.108 9.576 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.120 8.632 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.179 10.193 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.045 8.873 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.788 10.491 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.740 11.016 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.385 11.350 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.733 10.317 -6.884 1.00 0.00 H new ATOM 764 N LEU A 54 -11.453 7.918 -8.041 1.00 0.00 N ATOM 765 CA LEU A 54 -12.626 8.296 -8.794 1.00 0.00 C ATOM 766 C LEU A 54 -13.523 9.197 -7.947 1.00 0.00 C ATOM 767 O LEU A 54 -13.532 9.102 -6.717 1.00 0.00 O ATOM 768 CB LEU A 54 -13.347 7.008 -9.219 1.00 0.00 C ATOM 769 CG LEU A 54 -14.859 6.980 -9.027 1.00 0.00 C ATOM 770 CD1 LEU A 54 -15.570 7.692 -10.170 1.00 0.00 C ATOM 771 CD2 LEU A 54 -15.349 5.547 -8.900 1.00 0.00 C ATOM 0 H LEU A 54 -11.654 7.315 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.354 8.864 -9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.134 6.829 -10.273 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.917 6.176 -8.661 1.00 0.00 H new ATOM 0 HG LEU A 54 -15.095 7.511 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -16.647 7.657 -10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.243 8.731 -10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.329 7.199 -11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.430 5.543 -8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.095 4.994 -9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.873 5.075 -8.041 1.00 0.00 H new ATOM 783 N ALA A 55 -14.239 10.101 -8.612 1.00 0.00 N ATOM 784 CA ALA A 55 -15.194 10.976 -7.946 1.00 0.00 C ATOM 785 C ALA A 55 -16.352 10.166 -7.370 1.00 0.00 C ATOM 786 O ALA A 55 -17.409 10.033 -7.988 1.00 0.00 O ATOM 787 CB ALA A 55 -15.711 12.035 -8.911 1.00 0.00 C ATOM 0 H ALA A 55 -14.173 10.245 -9.620 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.684 11.479 -7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.423 12.680 -8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.876 12.634 -9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.204 11.550 -9.754 1.00 0.00 H new ATOM 793 N GLY A 56 -16.133 9.632 -6.182 1.00 0.00 N ATOM 794 CA GLY A 56 -17.112 8.786 -5.536 1.00 0.00 C ATOM 795 C GLY A 56 -16.481 7.875 -4.502 1.00 0.00 C ATOM 796 O GLY A 56 -17.181 7.247 -3.709 1.00 0.00 O ATOM 0 H GLY A 56 -15.278 9.773 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.869 9.407 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.622 8.183 -6.287 1.00 0.00 H new ATOM 800 N ASP A 57 -15.152 7.809 -4.511 1.00 0.00 N ATOM 801 CA ASP A 57 -14.412 6.955 -3.591 1.00 0.00 C ATOM 802 C ASP A 57 -14.554 7.407 -2.145 1.00 0.00 C ATOM 803 O ASP A 57 -14.574 8.606 -1.841 1.00 0.00 O ATOM 804 CB ASP A 57 -12.926 6.927 -3.952 1.00 0.00 C ATOM 805 CG ASP A 57 -12.581 5.868 -4.980 1.00 0.00 C ATOM 806 OD1 ASP A 57 -12.731 4.666 -4.682 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.142 6.230 -6.089 1.00 0.00 O ATOM 0 H ASP A 57 -14.563 8.342 -5.151 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.840 5.957 -3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.633 7.905 -4.335 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.342 6.751 -3.048 1.00 0.00 H new ATOM 812 N ARG A 58 -14.671 6.429 -1.264 1.00 0.00 N ATOM 813 CA ARG A 58 -14.611 6.657 0.168 1.00 0.00 C ATOM 814 C ARG A 58 -13.195 6.404 0.664 1.00 0.00 C ATOM 815 O ARG A 58 -12.614 5.359 0.370 1.00 0.00 O ATOM 816 CB ARG A 58 -15.567 5.714 0.892 1.00 0.00 C ATOM 817 CG ARG A 58 -17.032 5.983 0.617 1.00 0.00 C ATOM 818 CD ARG A 58 -17.905 4.866 1.164 1.00 0.00 C ATOM 819 NE ARG A 58 -17.430 4.386 2.462 1.00 0.00 N ATOM 820 CZ ARG A 58 -17.933 3.322 3.082 1.00 0.00 C ATOM 821 NH1 ARG A 58 -19.053 2.763 2.640 1.00 0.00 N ATOM 822 NH2 ARG A 58 -17.348 2.845 4.177 1.00 0.00 N ATOM 0 H ARG A 58 -14.811 5.452 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.899 7.688 0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.337 4.689 0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.391 5.789 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.322 6.931 1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.192 6.081 -0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.931 5.222 1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.921 4.038 0.455 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.672 4.895 2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.528 3.149 1.824 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.438 1.947 3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.510 3.295 4.545 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.737 2.029 4.649 1.00 0.00 H new ATOM 836 N LEU A 59 -12.639 7.344 1.410 1.00 0.00 N ATOM 837 CA LEU A 59 -11.301 7.168 1.954 1.00 0.00 C ATOM 838 C LEU A 59 -11.358 6.317 3.215 1.00 0.00 C ATOM 839 O LEU A 59 -12.032 6.667 4.183 1.00 0.00 O ATOM 840 CB LEU A 59 -10.646 8.518 2.252 1.00 0.00 C ATOM 841 CG LEU A 59 -9.199 8.433 2.750 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.322 7.721 1.733 1.00 0.00 C ATOM 843 CD2 LEU A 59 -8.649 9.817 3.032 1.00 0.00 C ATOM 0 H LEU A 59 -13.087 8.228 1.651 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.693 6.657 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.669 9.125 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.243 9.039 3.000 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.194 7.859 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.299 7.671 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.699 6.711 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.339 8.269 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.621 9.735 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.673 10.411 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.257 10.301 3.796 1.00 0.00 H new ATOM 855 N VAL A 60 -10.658 5.194 3.184 1.00 0.00 N ATOM 856 CA VAL A 60 -10.676 4.241 4.281 1.00 0.00 C ATOM 857 C VAL A 60 -9.545 4.522 5.267 1.00 0.00 C ATOM 858 O VAL A 60 -9.776 4.715 6.464 1.00 0.00 O ATOM 859 CB VAL A 60 -10.541 2.801 3.737 1.00 0.00 C ATOM 860 CG1 VAL A 60 -10.613 1.784 4.857 1.00 0.00 C ATOM 861 CG2 VAL A 60 -11.610 2.515 2.689 1.00 0.00 C ATOM 0 H VAL A 60 -10.064 4.919 2.402 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.627 4.345 4.803 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.562 2.716 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.515 0.780 4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.805 1.965 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.571 1.874 5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.495 1.496 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.598 2.630 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.503 3.215 1.860 1.00 0.00 H new ATOM 871 N GLU A 61 -8.320 4.565 4.761 1.00 0.00 N ATOM 872 CA GLU A 61 -7.159 4.802 5.605 1.00 0.00 C ATOM 873 C GLU A 61 -5.988 5.349 4.807 1.00 0.00 C ATOM 874 O GLU A 61 -5.921 5.194 3.586 1.00 0.00 O ATOM 875 CB GLU A 61 -6.767 3.535 6.367 1.00 0.00 C ATOM 876 CG GLU A 61 -7.044 2.231 5.641 1.00 0.00 C ATOM 877 CD GLU A 61 -7.130 1.067 6.607 1.00 0.00 C ATOM 878 OE1 GLU A 61 -8.207 0.877 7.220 1.00 0.00 O ATOM 879 OE2 GLU A 61 -6.124 0.356 6.782 1.00 0.00 O ATOM 0 H GLU A 61 -8.106 4.439 3.772 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.435 5.562 6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.703 3.584 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.300 3.523 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.978 2.314 5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.255 2.044 4.913 1.00 0.00 H new ATOM 886 N VAL A 62 -5.078 6.003 5.516 1.00 0.00 N ATOM 887 CA VAL A 62 -3.953 6.683 4.900 1.00 0.00 C ATOM 888 C VAL A 62 -2.647 5.979 5.245 1.00 0.00 C ATOM 889 O VAL A 62 -2.282 5.876 6.417 1.00 0.00 O ATOM 890 CB VAL A 62 -3.882 8.161 5.350 1.00 0.00 C ATOM 891 CG1 VAL A 62 -2.645 8.847 4.792 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.138 8.911 4.928 1.00 0.00 C ATOM 0 H VAL A 62 -5.101 6.076 6.533 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.100 6.654 3.820 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.815 8.175 6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.623 9.885 5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.752 8.332 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.672 8.816 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.069 9.949 5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.235 8.877 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.011 8.445 5.385 1.00 0.00 H new ATOM 902 N ASN A 63 -1.971 5.494 4.207 1.00 0.00 N ATOM 903 CA ASN A 63 -0.683 4.810 4.317 1.00 0.00 C ATOM 904 C ASN A 63 -0.807 3.492 5.076 1.00 0.00 C ATOM 905 O ASN A 63 -0.753 2.420 4.470 1.00 0.00 O ATOM 906 CB ASN A 63 0.378 5.726 4.943 1.00 0.00 C ATOM 907 CG ASN A 63 0.908 6.761 3.959 1.00 0.00 C ATOM 908 OD1 ASN A 63 1.052 6.487 2.766 1.00 0.00 O ATOM 909 ND2 ASN A 63 1.176 7.966 4.438 1.00 0.00 N ATOM 0 H ASN A 63 -2.308 5.566 3.247 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.353 4.566 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.050 6.236 5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.207 5.120 5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.512 8.700 3.814 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.046 8.161 5.431 1.00 0.00 H new ATOM 916 N GLY A 64 -0.990 3.562 6.385 1.00 0.00 N ATOM 917 CA GLY A 64 -1.087 2.352 7.176 1.00 0.00 C ATOM 918 C GLY A 64 -2.008 2.490 8.373 1.00 0.00 C ATOM 919 O GLY A 64 -2.174 1.541 9.139 1.00 0.00 O ATOM 0 H GLY A 64 -1.073 4.431 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.445 1.540 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.092 2.072 7.522 1.00 0.00 H new ATOM 923 N GLU A 65 -2.627 3.651 8.533 1.00 0.00 N ATOM 924 CA GLU A 65 -3.467 3.900 9.694 1.00 0.00 C ATOM 925 C GLU A 65 -4.865 4.308 9.253 1.00 0.00 C ATOM 926 O GLU A 65 -5.024 5.085 8.307 1.00 0.00 O ATOM 927 CB GLU A 65 -2.827 4.976 10.572 1.00 0.00 C ATOM 928 CG GLU A 65 -2.665 6.317 9.877 1.00 0.00 C ATOM 929 CD GLU A 65 -1.664 7.215 10.573 1.00 0.00 C ATOM 930 OE1 GLU A 65 -1.850 7.509 11.772 1.00 0.00 O ATOM 931 OE2 GLU A 65 -0.682 7.628 9.920 1.00 0.00 O ATOM 0 H GLU A 65 -2.564 4.430 7.878 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.555 2.986 10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.436 5.112 11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.848 4.628 10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.346 6.153 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.631 6.820 9.835 1.00 0.00 H new ATOM 938 N ASN A 66 -5.872 3.776 9.936 1.00 0.00 N ATOM 939 CA ASN A 66 -7.262 3.988 9.545 1.00 0.00 C ATOM 940 C ASN A 66 -7.732 5.394 9.887 1.00 0.00 C ATOM 941 O ASN A 66 -7.452 5.912 10.969 1.00 0.00 O ATOM 942 CB ASN A 66 -8.176 2.952 10.198 1.00 0.00 C ATOM 943 CG ASN A 66 -9.617 3.128 9.770 1.00 0.00 C ATOM 944 OD1 ASN A 66 -10.401 3.794 10.445 1.00 0.00 O ATOM 945 ND2 ASN A 66 -9.966 2.557 8.627 1.00 0.00 N ATOM 0 H ASN A 66 -5.752 3.194 10.765 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.315 3.869 8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.838 1.950 9.934 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.106 3.037 11.282 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.917 2.661 8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.283 2.013 8.099 1.00 0.00 H new ATOM 952 N VAL A 67 -8.453 6.007 8.957 1.00 0.00 N ATOM 953 CA VAL A 67 -8.896 7.385 9.116 1.00 0.00 C ATOM 954 C VAL A 67 -10.408 7.517 8.943 1.00 0.00 C ATOM 955 O VAL A 67 -10.953 8.614 9.033 1.00 0.00 O ATOM 956 CB VAL A 67 -8.196 8.308 8.097 1.00 0.00 C ATOM 957 CG1 VAL A 67 -6.687 8.144 8.174 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.689 8.038 6.681 1.00 0.00 C ATOM 0 H VAL A 67 -8.744 5.570 8.083 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.630 7.685 10.129 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.447 9.338 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.212 8.803 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.344 8.401 9.176 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.422 7.110 7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.178 8.703 5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.479 7.002 6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.763 8.215 6.630 1.00 0.00 H new ATOM 968 N GLU A 68 -11.083 6.395 8.728 1.00 0.00 N ATOM 969 CA GLU A 68 -12.500 6.415 8.372 1.00 0.00 C ATOM 970 C GLU A 68 -13.396 6.696 9.576 1.00 0.00 C ATOM 971 O GLU A 68 -14.613 6.639 9.459 1.00 0.00 O ATOM 972 CB GLU A 68 -12.917 5.076 7.763 1.00 0.00 C ATOM 973 CG GLU A 68 -12.936 3.954 8.781 1.00 0.00 C ATOM 974 CD GLU A 68 -13.419 2.639 8.224 1.00 0.00 C ATOM 975 OE1 GLU A 68 -12.664 2.002 7.467 1.00 0.00 O ATOM 976 OE2 GLU A 68 -14.534 2.209 8.585 1.00 0.00 O ATOM 0 H GLU A 68 -10.676 5.462 8.793 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.626 7.220 7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.907 5.176 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.231 4.818 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.931 3.822 9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.576 4.242 9.615 1.00 0.00 H new ATOM 983 N LYS A 69 -12.815 6.968 10.736 1.00 0.00 N ATOM 984 CA LYS A 69 -13.619 7.160 11.940 1.00 0.00 C ATOM 985 C LYS A 69 -13.555 8.600 12.444 1.00 0.00 C ATOM 986 O LYS A 69 -14.353 8.997 13.295 1.00 0.00 O ATOM 987 CB LYS A 69 -13.166 6.216 13.059 1.00 0.00 C ATOM 988 CG LYS A 69 -13.062 4.751 12.657 1.00 0.00 C ATOM 989 CD LYS A 69 -14.384 4.203 12.138 1.00 0.00 C ATOM 990 CE LYS A 69 -14.303 2.703 11.900 1.00 0.00 C ATOM 991 NZ LYS A 69 -15.457 2.196 11.112 1.00 0.00 N ATOM 0 H LYS A 69 -11.808 7.060 10.871 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.649 6.933 11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.194 6.548 13.423 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.864 6.301 13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.298 4.640 11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.738 4.162 13.515 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.176 4.418 12.855 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.650 4.707 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.377 2.470 11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.265 2.186 12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.625 1.197 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.305 2.753 11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.249 2.283 10.097 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.618 9.383 11.928 1.00 0.00 N ATOM 1006 CA GLU A 70 -12.407 10.732 12.438 1.00 0.00 C ATOM 1007 C GLU A 70 -13.055 11.782 11.541 1.00 0.00 C ATOM 1008 O GLU A 70 -13.663 11.445 10.526 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.918 11.013 12.648 1.00 0.00 C ATOM 1010 CG GLU A 70 -10.035 10.603 11.483 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.566 10.663 11.838 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -8.117 9.833 12.655 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -7.851 11.538 11.310 1.00 0.00 O ATOM 0 H GLU A 70 -11.998 9.112 11.165 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.897 10.797 13.410 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.784 12.079 12.833 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.584 10.489 13.544 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.292 9.590 11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.230 11.257 10.633 1.00 0.00 H new ATOM 1020 N THR A 71 -12.907 13.049 11.913 1.00 0.00 N ATOM 1021 CA THR A 71 -13.683 14.122 11.303 1.00 0.00 C ATOM 1022 C THR A 71 -13.217 14.453 9.888 1.00 0.00 C ATOM 1023 O THR A 71 -12.199 13.942 9.414 1.00 0.00 O ATOM 1024 CB THR A 71 -13.617 15.412 12.148 1.00 0.00 C ATOM 1025 OG1 THR A 71 -12.301 15.980 12.079 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.963 15.128 13.599 1.00 0.00 C ATOM 0 H THR A 71 -12.256 13.358 12.635 1.00 0.00 H new ATOM 0 HA THR A 71 -14.708 13.753 11.258 1.00 0.00 H new ATOM 0 HB THR A 71 -14.344 16.117 11.743 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.232 16.723 12.714 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.909 16.053 14.174 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.972 14.721 13.659 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.256 14.406 14.007 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.961 15.329 9.229 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.592 15.826 7.914 1.00 0.00 C ATOM 1036 C HIS A 72 -12.236 16.529 7.976 1.00 0.00 C ATOM 1037 O HIS A 72 -11.374 16.316 7.124 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.682 16.782 7.400 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.295 17.593 6.199 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.318 17.100 4.912 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -13.868 18.877 6.097 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -13.923 18.043 4.075 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.645 19.126 4.769 1.00 0.00 N ATOM 0 H HIS A 72 -14.834 15.713 9.590 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.507 14.988 7.222 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.570 16.199 7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.958 17.462 8.206 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.730 19.573 6.911 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.842 17.942 3.003 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.316 20.010 4.380 1.00 0.00 H new ATOM 1052 N GLN A 73 -12.056 17.354 9.000 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.827 18.122 9.165 1.00 0.00 C ATOM 1054 C GLN A 73 -9.634 17.203 9.411 1.00 0.00 C ATOM 1055 O GLN A 73 -8.570 17.381 8.815 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.979 19.101 10.332 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.772 20.007 10.545 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.718 21.187 9.585 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -10.274 21.028 8.395 1.00 0.00 O flip ATOM 1060 NE2 GLN A 73 -9.182 22.243 9.921 1.00 0.00 N flip ATOM 0 H GLN A 73 -12.749 17.509 9.732 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.645 18.677 8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.859 19.721 10.160 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.161 18.535 11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.786 20.382 11.568 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.862 19.418 10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.763 22.330 10.847 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.157 23.031 9.274 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.829 16.211 10.273 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.755 15.299 10.650 1.00 0.00 C ATOM 1071 C GLN A 74 -8.225 14.538 9.440 1.00 0.00 C ATOM 1072 O GLN A 74 -7.014 14.462 9.221 1.00 0.00 O ATOM 1073 CB GLN A 74 -9.245 14.308 11.705 1.00 0.00 C ATOM 1074 CG GLN A 74 -9.647 14.960 13.015 1.00 0.00 C ATOM 1075 CD GLN A 74 -8.520 15.744 13.648 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -7.345 15.407 13.495 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -8.869 16.800 14.358 1.00 0.00 N ATOM 0 H GLN A 74 -10.723 16.018 10.725 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.943 15.897 11.064 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.098 13.759 11.306 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.458 13.579 11.899 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.493 15.625 12.840 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.984 14.191 13.710 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.854 17.044 14.459 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.153 17.373 14.806 1.00 0.00 H new ATOM 1086 N VAL A 75 -9.142 13.999 8.649 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.784 13.195 7.490 1.00 0.00 C ATOM 1088 C VAL A 75 -8.012 14.008 6.450 1.00 0.00 C ATOM 1089 O VAL A 75 -6.989 13.554 5.929 1.00 0.00 O ATOM 1090 CB VAL A 75 -10.038 12.575 6.841 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.678 11.827 5.570 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.732 11.648 7.824 1.00 0.00 C ATOM 0 H VAL A 75 -10.146 14.105 8.791 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.134 12.396 7.847 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.721 13.382 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.580 11.399 5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.221 12.516 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.975 11.028 5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.616 11.216 7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.049 10.850 8.116 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.029 12.212 8.708 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.489 15.217 6.163 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.848 16.065 5.162 1.00 0.00 C ATOM 1104 C VAL A 76 -6.432 16.428 5.588 1.00 0.00 C ATOM 1105 O VAL A 76 -5.507 16.452 4.769 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.650 17.361 4.901 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.900 18.273 3.940 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.032 17.032 4.354 1.00 0.00 C ATOM 0 H VAL A 76 -9.311 15.629 6.606 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.816 15.489 4.237 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.769 17.886 5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.481 19.179 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.933 18.537 4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.747 17.756 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.582 17.956 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.932 16.484 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.573 16.421 5.076 1.00 0.00 H new ATOM 1118 N SER A 77 -6.265 16.686 6.877 1.00 0.00 N ATOM 1119 CA SER A 77 -4.975 17.070 7.418 1.00 0.00 C ATOM 1120 C SER A 77 -3.948 15.964 7.199 1.00 0.00 C ATOM 1121 O SER A 77 -2.777 16.236 6.950 1.00 0.00 O ATOM 1122 CB SER A 77 -5.100 17.382 8.909 1.00 0.00 C ATOM 1123 OG SER A 77 -3.919 17.989 9.408 1.00 0.00 O ATOM 0 H SER A 77 -7.013 16.635 7.569 1.00 0.00 H new ATOM 0 HA SER A 77 -4.636 17.965 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.950 18.044 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.300 16.463 9.460 1.00 0.00 H new ATOM 0 HG SER A 77 -4.027 18.179 10.363 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.400 14.716 7.273 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.512 13.572 7.094 1.00 0.00 C ATOM 1131 C ARG A 78 -3.002 13.480 5.659 1.00 0.00 C ATOM 1132 O ARG A 78 -1.817 13.243 5.432 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.212 12.269 7.461 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.646 12.180 8.910 1.00 0.00 C ATOM 1135 CD ARG A 78 -5.019 10.755 9.246 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.488 10.586 10.616 1.00 0.00 N ATOM 1137 CZ ARG A 78 -4.845 9.862 11.528 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -3.623 9.424 11.279 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.414 9.607 12.696 1.00 0.00 N ATOM 0 H ARG A 78 -5.373 14.471 7.455 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.664 13.724 7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.088 12.149 6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.543 11.437 7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.840 12.518 9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.496 12.839 9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.797 10.420 8.560 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.153 10.113 9.085 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.355 11.048 10.890 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.175 9.641 10.389 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.128 8.869 11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.347 9.966 12.898 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.919 9.052 13.394 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.898 13.668 4.696 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.524 13.589 3.285 1.00 0.00 C ATOM 1155 C ILE A 79 -2.550 14.715 2.940 1.00 0.00 C ATOM 1156 O ILE A 79 -1.607 14.531 2.167 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.763 13.672 2.361 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.813 12.632 2.763 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.357 13.455 0.908 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.158 12.853 2.104 1.00 0.00 C ATOM 0 H ILE A 79 -4.883 13.875 4.863 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.045 12.624 3.122 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.196 14.666 2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.448 11.638 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.939 12.653 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.239 13.516 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.641 14.222 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.900 12.471 0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.855 12.082 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.544 13.833 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.045 12.803 1.021 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.787 15.881 3.528 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.916 17.038 3.341 1.00 0.00 C ATOM 1174 C ARG A 80 -0.586 16.870 4.078 1.00 0.00 C ATOM 1175 O ARG A 80 0.419 17.478 3.708 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.616 18.310 3.814 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.756 18.749 2.910 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.365 20.053 3.389 1.00 0.00 C ATOM 1179 NE ARG A 80 -5.341 20.590 2.441 1.00 0.00 N ATOM 1180 CZ ARG A 80 -5.881 21.804 2.539 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -5.515 22.622 3.518 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -6.771 22.212 1.641 1.00 0.00 N ATOM 0 H ARG A 80 -3.582 16.052 4.144 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.701 17.118 2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.003 18.149 4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.884 19.115 3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.390 18.869 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.522 17.974 2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.848 19.894 4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.573 20.785 3.546 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.625 20.000 1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.818 22.322 4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.931 23.551 3.589 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.042 21.595 0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.183 23.142 1.718 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.590 16.052 5.125 1.00 0.00 N ATOM 1197 CA ALA A 81 0.598 15.837 5.950 1.00 0.00 C ATOM 1198 C ALA A 81 1.677 15.068 5.198 1.00 0.00 C ATOM 1199 O ALA A 81 2.811 14.954 5.666 1.00 0.00 O ATOM 1200 CB ALA A 81 0.228 15.103 7.228 1.00 0.00 C ATOM 0 H ALA A 81 -1.408 15.522 5.426 1.00 0.00 H new ATOM 0 HA ALA A 81 1.003 16.817 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.123 14.950 7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.493 15.695 7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.211 14.137 6.979 1.00 0.00 H new ATOM 1206 N ALA A 82 1.314 14.525 4.048 1.00 0.00 N ATOM 1207 CA ALA A 82 2.261 13.812 3.209 1.00 0.00 C ATOM 1208 C ALA A 82 3.310 14.766 2.655 1.00 0.00 C ATOM 1209 O ALA A 82 2.995 15.876 2.216 1.00 0.00 O ATOM 1210 CB ALA A 82 1.535 13.108 2.082 1.00 0.00 C ATOM 0 H ALA A 82 0.366 14.565 3.673 1.00 0.00 H new ATOM 0 HA ALA A 82 2.768 13.063 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.256 12.577 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.821 12.397 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.005 13.843 1.476 1.00 0.00 H new ATOM 1216 N LEU A 83 4.560 14.326 2.694 1.00 0.00 N ATOM 1217 CA LEU A 83 5.688 15.149 2.265 1.00 0.00 C ATOM 1218 C LEU A 83 5.656 15.411 0.761 1.00 0.00 C ATOM 1219 O LEU A 83 6.210 16.404 0.289 1.00 0.00 O ATOM 1220 CB LEU A 83 7.023 14.502 2.657 1.00 0.00 C ATOM 1221 CG LEU A 83 7.470 13.299 1.820 1.00 0.00 C ATOM 1222 CD1 LEU A 83 8.881 12.906 2.204 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.531 12.120 2.011 1.00 0.00 C ATOM 0 H LEU A 83 4.822 13.396 3.021 1.00 0.00 H new ATOM 0 HA LEU A 83 5.598 16.107 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.801 15.264 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.957 14.188 3.699 1.00 0.00 H new ATOM 0 HG LEU A 83 7.445 13.584 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.196 12.050 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.554 13.743 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.910 12.641 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.873 11.281 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.521 11.829 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.524 12.403 1.704 1.00 0.00 H new ATOM 1235 N ASN A 84 5.013 14.514 0.018 1.00 0.00 N ATOM 1236 CA ASN A 84 4.874 14.659 -1.430 1.00 0.00 C ATOM 1237 C ASN A 84 3.926 13.604 -1.979 1.00 0.00 C ATOM 1238 O ASN A 84 3.016 13.915 -2.745 1.00 0.00 O ATOM 1239 CB ASN A 84 6.235 14.554 -2.134 1.00 0.00 C ATOM 1240 CG ASN A 84 6.121 14.678 -3.645 1.00 0.00 C ATOM 1241 OD1 ASN A 84 6.067 15.785 -4.184 1.00 0.00 O ATOM 1242 ND2 ASN A 84 6.126 13.549 -4.343 1.00 0.00 N ATOM 0 H ASN A 84 4.577 13.673 0.397 1.00 0.00 H new ATOM 0 HA ASN A 84 4.463 15.649 -1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.896 15.335 -1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.696 13.598 -1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.084 13.579 -5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.172 12.651 -3.861 1.00 0.00 H new ATOM 1249 N ALA A 85 4.144 12.358 -1.583 1.00 0.00 N ATOM 1250 CA ALA A 85 3.290 11.264 -2.014 1.00 0.00 C ATOM 1251 C ALA A 85 2.600 10.614 -0.823 1.00 0.00 C ATOM 1252 O ALA A 85 3.226 10.364 0.208 1.00 0.00 O ATOM 1253 CB ALA A 85 4.093 10.234 -2.794 1.00 0.00 C ATOM 0 H ALA A 85 4.906 12.081 -0.964 1.00 0.00 H new ATOM 0 HA ALA A 85 2.522 11.672 -2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.436 9.423 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.533 10.705 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.885 9.835 -2.161 1.00 0.00 H new ATOM 1259 N VAL A 86 1.312 10.354 -0.969 1.00 0.00 N ATOM 1260 CA VAL A 86 0.519 9.741 0.085 1.00 0.00 C ATOM 1261 C VAL A 86 -0.238 8.531 -0.456 1.00 0.00 C ATOM 1262 O VAL A 86 -0.868 8.606 -1.508 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.480 10.757 0.693 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.396 11.342 -0.374 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.290 10.120 1.811 1.00 0.00 C ATOM 0 H VAL A 86 0.787 10.561 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 86 1.201 9.415 0.871 1.00 0.00 H new ATOM 0 HB VAL A 86 0.100 11.576 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.084 12.051 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.797 11.854 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.963 10.540 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.984 10.854 2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.850 9.272 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.618 9.777 2.597 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.158 7.414 0.244 1.00 0.00 N ATOM 1276 CA ARG A 87 -0.897 6.228 -0.152 1.00 0.00 C ATOM 1277 C ARG A 87 -2.250 6.238 0.533 1.00 0.00 C ATOM 1278 O ARG A 87 -2.337 6.062 1.739 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.135 4.962 0.238 1.00 0.00 C ATOM 1280 CG ARG A 87 1.311 4.954 -0.230 1.00 0.00 C ATOM 1281 CD ARG A 87 2.067 3.742 0.285 1.00 0.00 C ATOM 1282 NE ARG A 87 3.495 3.839 -0.003 1.00 0.00 N ATOM 1283 CZ ARG A 87 4.400 2.933 0.367 1.00 0.00 C ATOM 1284 NH1 ARG A 87 4.032 1.841 1.029 1.00 0.00 N ATOM 1285 NH2 ARG A 87 5.681 3.123 0.084 1.00 0.00 N ATOM 0 H ARG A 87 0.408 7.303 1.085 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.024 6.234 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.158 4.854 1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.648 4.096 -0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.340 4.964 -1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.808 5.863 0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.917 3.649 1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.663 2.839 -0.172 1.00 0.00 H new ATOM 0 HE ARG A 87 3.822 4.654 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.050 1.690 1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.732 1.153 1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.974 3.962 -0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.374 2.430 0.367 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.300 6.452 -0.223 1.00 0.00 N ATOM 1300 CA LEU A 88 -4.626 6.503 0.357 1.00 0.00 C ATOM 1301 C LEU A 88 -5.501 5.378 -0.171 1.00 0.00 C ATOM 1302 O LEU A 88 -5.616 5.171 -1.382 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.274 7.884 0.159 1.00 0.00 C ATOM 1304 CG LEU A 88 -4.998 8.599 -1.168 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.950 8.122 -2.245 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -5.111 10.106 -0.991 1.00 0.00 C ATOM 0 H LEU A 88 -3.266 6.593 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.526 6.353 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.353 7.770 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.942 8.533 0.969 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.982 8.359 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.735 8.643 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.825 7.049 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.976 8.330 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.912 10.600 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.116 10.358 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.385 10.441 -0.250 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.069 4.618 0.754 1.00 0.00 N ATOM 1319 CA LEU A 89 -6.913 3.491 0.403 1.00 0.00 C ATOM 1320 C LEU A 89 -8.344 3.962 0.223 1.00 0.00 C ATOM 1321 O LEU A 89 -8.917 4.589 1.117 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.856 2.418 1.487 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.587 1.123 1.140 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.789 0.310 0.132 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.859 0.316 2.392 1.00 0.00 C ATOM 0 H LEU A 89 -5.958 4.765 1.757 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.550 3.061 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.812 2.186 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.281 2.825 2.405 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.544 1.378 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.327 -0.609 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.653 0.893 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.815 0.063 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.380 -0.603 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.915 0.070 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.477 0.900 3.074 1.00 0.00 H new ATOM 1337 N VAL A 90 -8.914 3.653 -0.923 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.243 4.123 -1.266 1.00 0.00 C ATOM 1339 C VAL A 90 -11.100 2.990 -1.814 1.00 0.00 C ATOM 1340 O VAL A 90 -10.585 2.027 -2.391 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.183 5.270 -2.304 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.636 6.543 -1.672 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.341 4.873 -3.512 1.00 0.00 C ATOM 0 H VAL A 90 -8.475 3.074 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.696 4.501 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.200 5.463 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.603 7.335 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.283 6.848 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.630 6.359 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.316 5.697 -4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.326 4.643 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.778 3.995 -3.988 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.407 3.110 -1.620 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.367 2.140 -2.134 1.00 0.00 C ATOM 1355 C VAL A 91 -14.663 2.847 -2.509 1.00 0.00 C ATOM 1356 O VAL A 91 -15.072 3.804 -1.848 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.706 1.017 -1.113 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.473 0.227 -0.705 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.417 1.576 0.111 1.00 0.00 C ATOM 0 H VAL A 91 -12.831 3.880 -1.103 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.899 1.676 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 91 -14.385 0.328 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.756 -0.547 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.030 -0.237 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.747 0.897 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.640 0.765 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.775 2.308 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -15.346 2.056 -0.196 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.296 2.383 -3.572 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.606 2.887 -3.958 1.00 0.00 C ATOM 1371 C ASP A 92 -17.636 2.470 -2.912 1.00 0.00 C ATOM 1372 O ASP A 92 -17.477 1.412 -2.298 1.00 0.00 O ATOM 1373 CB ASP A 92 -16.985 2.338 -5.341 1.00 0.00 C ATOM 1374 CG ASP A 92 -18.379 2.732 -5.786 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -19.342 2.043 -5.400 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -18.513 3.713 -6.545 1.00 0.00 O ATOM 0 H ASP A 92 -14.925 1.657 -4.185 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.582 3.975 -4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -16.263 2.695 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -16.911 1.251 -5.324 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.669 3.292 -2.651 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.732 2.946 -1.701 1.00 0.00 C ATOM 1383 C PRO A 93 -20.224 1.503 -1.852 1.00 0.00 C ATOM 1384 O PRO A 93 -20.439 0.804 -0.856 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.841 3.933 -2.059 1.00 0.00 C ATOM 1386 CG PRO A 93 -20.122 5.136 -2.561 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.869 4.634 -3.230 1.00 0.00 C ATOM 0 HA PRO A 93 -19.392 3.009 -0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.507 3.523 -2.818 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -21.456 4.171 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.741 5.693 -3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.880 5.814 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -18.985 4.588 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.020 5.287 -3.028 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.350 1.050 -3.099 1.00 0.00 N ATOM 1396 CA GLU A 94 -20.851 -0.290 -3.382 1.00 0.00 C ATOM 1397 C GLU A 94 -19.808 -1.339 -3.016 1.00 0.00 C ATOM 1398 O GLU A 94 -20.146 -2.449 -2.600 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.220 -0.426 -4.859 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.276 0.561 -5.322 1.00 0.00 C ATOM 1401 CD GLU A 94 -23.616 0.336 -4.657 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -24.418 -0.455 -5.194 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -23.878 0.960 -3.607 1.00 0.00 O ATOM 0 H GLU A 94 -20.111 1.594 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 94 -21.744 -0.451 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.322 -0.292 -5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -21.578 -1.439 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.936 1.575 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.393 0.481 -6.403 1.00 0.00 H new ATOM 1410 N THR A 95 -18.540 -0.974 -3.157 1.00 0.00 N ATOM 1411 CA THR A 95 -17.449 -1.888 -2.886 1.00 0.00 C ATOM 1412 C THR A 95 -17.420 -2.241 -1.407 1.00 0.00 C ATOM 1413 O THR A 95 -17.429 -3.414 -1.041 1.00 0.00 O ATOM 1414 CB THR A 95 -16.099 -1.271 -3.299 1.00 0.00 C ATOM 1415 OG1 THR A 95 -16.151 -0.874 -4.676 1.00 0.00 O ATOM 1416 CG2 THR A 95 -14.961 -2.257 -3.089 1.00 0.00 C ATOM 0 H THR A 95 -18.246 -0.045 -3.459 1.00 0.00 H new ATOM 0 HA THR A 95 -17.610 -2.793 -3.472 1.00 0.00 H new ATOM 0 HB THR A 95 -15.914 -0.398 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 95 -15.292 -0.480 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.020 -1.796 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.910 -2.535 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.136 -3.148 -3.692 1.00 0.00 H new ATOM 1424 N ASP A 96 -17.435 -1.211 -0.566 1.00 0.00 N ATOM 1425 CA ASP A 96 -17.425 -1.395 0.883 1.00 0.00 C ATOM 1426 C ASP A 96 -18.634 -2.200 1.331 1.00 0.00 C ATOM 1427 O ASP A 96 -18.522 -3.079 2.180 1.00 0.00 O ATOM 1428 CB ASP A 96 -17.408 -0.035 1.593 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.837 -0.115 3.049 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.986 -0.404 3.913 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -19.030 0.149 3.333 1.00 0.00 O ATOM 0 H ASP A 96 -17.454 -0.236 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.523 -1.945 1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.403 0.383 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.068 0.652 1.064 1.00 0.00 H new ATOM 1436 N GLU A 97 -19.777 -1.922 0.718 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.021 -2.591 1.071 1.00 0.00 C ATOM 1438 C GLU A 97 -20.887 -4.097 0.872 1.00 0.00 C ATOM 1439 O GLU A 97 -21.342 -4.891 1.698 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.173 -2.034 0.233 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.538 -2.576 0.622 1.00 0.00 C ATOM 1442 CD GLU A 97 -24.671 -1.819 -0.037 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.059 -0.757 0.490 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.170 -2.273 -1.084 1.00 0.00 O ATOM 0 H GLU A 97 -19.868 -1.234 -0.030 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.237 -2.404 2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.185 -0.948 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -21.989 -2.262 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.600 -3.629 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -23.651 -2.523 1.705 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.253 -4.483 -0.226 1.00 0.00 N ATOM 1452 CA GLN A 98 -19.981 -5.885 -0.492 1.00 0.00 C ATOM 1453 C GLN A 98 -18.892 -6.408 0.446 1.00 0.00 C ATOM 1454 O GLN A 98 -18.979 -7.527 0.952 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.569 -6.073 -1.951 1.00 0.00 C ATOM 1456 CG GLN A 98 -19.308 -7.517 -2.329 1.00 0.00 C ATOM 1457 CD GLN A 98 -19.017 -7.677 -3.802 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -17.758 -7.538 -4.173 1.00 0.00 O flip ATOM 1459 NE2 GLN A 98 -19.921 -7.908 -4.603 1.00 0.00 N flip ATOM 0 H GLN A 98 -19.918 -3.843 -0.946 1.00 0.00 H new ATOM 0 HA GLN A 98 -20.891 -6.458 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.353 -5.674 -2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -18.670 -5.488 -2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -18.465 -7.896 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -20.175 -8.123 -2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -20.881 -8.008 -4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -19.711 -7.999 -5.597 1.00 0.00 H new ATOM 1468 N LEU A 99 -17.878 -5.580 0.689 1.00 0.00 N ATOM 1469 CA LEU A 99 -16.735 -5.974 1.512 1.00 0.00 C ATOM 1470 C LEU A 99 -17.151 -6.269 2.947 1.00 0.00 C ATOM 1471 O LEU A 99 -16.547 -7.111 3.610 1.00 0.00 O ATOM 1472 CB LEU A 99 -15.645 -4.904 1.501 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.021 -4.616 0.135 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -13.588 -4.163 0.304 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.097 -5.831 -0.777 1.00 0.00 C ATOM 0 H LEU A 99 -17.824 -4.628 0.326 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.334 -6.888 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.065 -3.977 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.854 -5.209 2.186 1.00 0.00 H new ATOM 0 HG LEU A 99 -15.591 -3.816 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.153 -3.960 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.562 -3.256 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.015 -4.946 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -14.645 -5.592 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.561 -6.663 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.140 -6.110 -0.925 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.170 -5.563 3.428 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.707 -5.796 4.768 1.00 0.00 C ATOM 1489 C GLN A 100 -19.208 -7.229 4.906 1.00 0.00 C ATOM 1490 O GLN A 100 -19.092 -7.842 5.969 1.00 0.00 O ATOM 1491 CB GLN A 100 -19.851 -4.827 5.067 1.00 0.00 C ATOM 1492 CG GLN A 100 -19.454 -3.366 4.981 1.00 0.00 C ATOM 1493 CD GLN A 100 -20.630 -2.430 5.173 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -21.771 -2.774 4.862 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -20.358 -1.235 5.664 1.00 0.00 N ATOM 0 H GLN A 100 -18.643 -4.823 2.909 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.902 -5.629 5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -20.666 -5.014 4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -20.236 -5.031 6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.698 -3.154 5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.996 -3.174 4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.398 -0.991 5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.107 -0.556 5.799 1.00 0.00 H new ATOM 1504 N LYS A 101 -19.770 -7.750 3.823 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.282 -9.114 3.793 1.00 0.00 C ATOM 1506 C LYS A 101 -19.136 -10.120 3.835 1.00 0.00 C ATOM 1507 O LYS A 101 -19.317 -11.273 4.233 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.122 -9.329 2.532 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.308 -8.384 2.423 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.328 -8.641 3.520 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.531 -7.720 3.403 1.00 0.00 C ATOM 1512 NZ LYS A 101 -25.141 -7.781 2.049 1.00 0.00 N ATOM 0 H LYS A 101 -19.883 -7.243 2.945 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.909 -9.268 4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.486 -9.203 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.484 -10.357 2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -21.960 -7.353 2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.782 -8.504 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -23.659 -9.678 3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.857 -8.501 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -25.275 -7.997 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -24.227 -6.696 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -26.087 -7.350 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -24.543 -7.262 1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -25.220 -8.773 1.748 1.00 0.00 H new ATOM 1526 N LEU A 102 -17.959 -9.674 3.416 1.00 0.00 N ATOM 1527 CA LEU A 102 -16.779 -10.523 3.410 1.00 0.00 C ATOM 1528 C LEU A 102 -16.072 -10.424 4.757 1.00 0.00 C ATOM 1529 O LEU A 102 -16.065 -11.372 5.542 1.00 0.00 O ATOM 1530 CB LEU A 102 -15.829 -10.116 2.278 1.00 0.00 C ATOM 1531 CG LEU A 102 -16.495 -9.885 0.915 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -15.457 -9.498 -0.125 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -17.266 -11.119 0.466 1.00 0.00 C ATOM 0 H LEU A 102 -17.798 -8.726 3.075 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.086 -11.555 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.312 -9.202 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.070 -10.890 2.167 1.00 0.00 H new ATOM 0 HG LEU A 102 -17.205 -9.064 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -15.947 -9.338 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.956 -8.581 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.722 -10.298 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -17.728 -10.927 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -16.583 -11.964 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -18.040 -11.350 1.197 1.00 0.00 H new ATOM 1545 N GLY A 103 -15.496 -9.256 5.024 1.00 0.00 N ATOM 1546 CA GLY A 103 -14.953 -8.956 6.338 1.00 0.00 C ATOM 1547 C GLY A 103 -13.566 -9.522 6.597 1.00 0.00 C ATOM 1548 O GLY A 103 -12.737 -8.861 7.226 1.00 0.00 O ATOM 0 H GLY A 103 -15.395 -8.502 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.918 -7.874 6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.635 -9.343 7.095 1.00 0.00 H new ATOM 1552 N VAL A 104 -13.308 -10.728 6.109 1.00 0.00 N ATOM 1553 CA VAL A 104 -12.097 -11.466 6.460 1.00 0.00 C ATOM 1554 C VAL A 104 -10.824 -10.875 5.823 1.00 0.00 C ATOM 1555 O VAL A 104 -10.341 -11.333 4.789 1.00 0.00 O ATOM 1556 CB VAL A 104 -12.254 -12.971 6.117 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -12.643 -13.173 4.660 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -10.989 -13.746 6.452 1.00 0.00 C ATOM 0 H VAL A 104 -13.925 -11.221 5.464 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.969 -11.366 7.538 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.063 -13.362 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.744 -14.239 4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.592 -12.674 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.872 -12.751 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.129 -14.797 6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.154 -13.344 5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.776 -13.653 7.517 1.00 0.00 H new ATOM 1568 N GLN A 105 -10.312 -9.823 6.465 1.00 0.00 N ATOM 1569 CA GLN A 105 -8.999 -9.245 6.153 1.00 0.00 C ATOM 1570 C GLN A 105 -8.868 -8.786 4.699 1.00 0.00 C ATOM 1571 O GLN A 105 -7.764 -8.682 4.165 1.00 0.00 O ATOM 1572 CB GLN A 105 -7.889 -10.230 6.519 1.00 0.00 C ATOM 1573 CG GLN A 105 -7.787 -10.463 8.016 1.00 0.00 C ATOM 1574 CD GLN A 105 -6.714 -11.459 8.394 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -5.709 -11.607 7.699 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -6.918 -12.145 9.505 1.00 0.00 N ATOM 0 H GLN A 105 -10.799 -9.343 7.222 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.898 -8.345 6.760 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.072 -11.181 6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -6.936 -9.853 6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.583 -9.514 8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.749 -10.816 8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.765 -11.991 10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.228 -12.829 9.816 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.997 -8.489 4.073 1.00 0.00 N ATOM 1586 CA VAL A 106 -10.003 -7.880 2.749 1.00 0.00 C ATOM 1587 C VAL A 106 -9.777 -6.371 2.890 1.00 0.00 C ATOM 1588 O VAL A 106 -9.700 -5.636 1.911 1.00 0.00 O ATOM 1589 CB VAL A 106 -11.337 -8.163 2.009 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -12.499 -7.431 2.671 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -11.233 -7.811 0.530 1.00 0.00 C ATOM 0 H VAL A 106 -10.925 -8.660 4.461 1.00 0.00 H new ATOM 0 HA VAL A 106 -9.200 -8.316 2.155 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.536 -9.232 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -13.421 -7.648 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.597 -7.763 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.311 -6.357 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -12.183 -8.020 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.995 -6.753 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.447 -8.408 0.068 1.00 0.00 H new ATOM 1601 N ARG A 107 -9.647 -5.939 4.139 1.00 0.00 N ATOM 1602 CA ARG A 107 -9.541 -4.527 4.483 1.00 0.00 C ATOM 1603 C ARG A 107 -8.276 -3.879 3.925 1.00 0.00 C ATOM 1604 O ARG A 107 -8.340 -2.817 3.314 1.00 0.00 O ATOM 1605 CB ARG A 107 -9.545 -4.388 6.004 1.00 0.00 C ATOM 1606 CG ARG A 107 -10.903 -4.600 6.642 1.00 0.00 C ATOM 1607 CD ARG A 107 -11.776 -3.374 6.459 1.00 0.00 C ATOM 1608 NE ARG A 107 -11.097 -2.172 6.939 1.00 0.00 N ATOM 1609 CZ ARG A 107 -11.653 -0.972 7.013 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -12.913 -0.781 6.644 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -10.944 0.051 7.447 1.00 0.00 N ATOM 0 H ARG A 107 -9.612 -6.562 4.946 1.00 0.00 H new ATOM 0 HA ARG A 107 -10.393 -4.014 4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.842 -5.106 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -9.183 -3.394 6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.388 -5.468 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -10.783 -4.812 7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -12.029 -3.257 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -12.714 -3.507 6.999 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.126 -2.264 7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -13.467 -1.564 6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -13.327 0.149 6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.972 -0.083 7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.368 0.977 7.506 1.00 0.00 H new ATOM 1625 N GLU A 108 -7.139 -4.529 4.120 1.00 0.00 N ATOM 1626 CA GLU A 108 -5.856 -3.968 3.704 1.00 0.00 C ATOM 1627 C GLU A 108 -4.843 -5.082 3.480 1.00 0.00 C ATOM 1628 O GLU A 108 -3.985 -4.990 2.600 1.00 0.00 O ATOM 1629 CB GLU A 108 -5.360 -2.966 4.766 1.00 0.00 C ATOM 1630 CG GLU A 108 -4.070 -2.229 4.418 1.00 0.00 C ATOM 1631 CD GLU A 108 -2.818 -2.990 4.814 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -2.829 -3.656 5.876 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -1.806 -2.902 4.089 1.00 0.00 O ATOM 0 H GLU A 108 -7.075 -5.445 4.563 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.980 -3.436 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.144 -2.229 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.211 -3.501 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.047 -2.038 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.069 -1.258 4.914 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.969 -6.151 4.261 1.00 0.00 N ATOM 1641 CA GLU A 109 -4.083 -7.306 4.153 1.00 0.00 C ATOM 1642 C GLU A 109 -4.088 -7.861 2.728 1.00 0.00 C ATOM 1643 O GLU A 109 -3.079 -8.366 2.240 1.00 0.00 O ATOM 1644 CB GLU A 109 -4.527 -8.389 5.139 1.00 0.00 C ATOM 1645 CG GLU A 109 -3.543 -9.537 5.288 1.00 0.00 C ATOM 1646 CD GLU A 109 -2.247 -9.111 5.942 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -2.237 -8.913 7.178 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -1.225 -8.998 5.238 1.00 0.00 O ATOM 0 H GLU A 109 -5.684 -6.241 4.983 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.068 -6.991 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -4.686 -7.932 6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -5.488 -8.789 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.001 -10.329 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.329 -9.957 4.305 1.00 0.00 H new ATOM 1655 N LEU A 110 -5.238 -7.739 2.067 1.00 0.00 N ATOM 1656 CA LEU A 110 -5.414 -8.215 0.697 1.00 0.00 C ATOM 1657 C LEU A 110 -4.419 -7.537 -0.253 1.00 0.00 C ATOM 1658 O LEU A 110 -3.913 -8.164 -1.186 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.870 -7.963 0.251 1.00 0.00 C ATOM 1660 CG LEU A 110 -7.304 -8.570 -1.098 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -6.831 -7.718 -2.269 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.793 -9.999 -1.235 1.00 0.00 C ATOM 0 H LEU A 110 -6.072 -7.308 2.466 1.00 0.00 H new ATOM 0 HA LEU A 110 -5.214 -9.286 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.533 -8.349 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.028 -6.886 0.204 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.394 -8.588 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.154 -8.174 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.257 -6.718 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.743 -7.651 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.110 -10.409 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.704 -10.003 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.198 -10.609 -0.428 1.00 0.00 H new ATOM 1674 N LEU A 111 -4.127 -6.265 -0.002 1.00 0.00 N ATOM 1675 CA LEU A 111 -3.212 -5.505 -0.851 1.00 0.00 C ATOM 1676 C LEU A 111 -1.805 -6.085 -0.774 1.00 0.00 C ATOM 1677 O LEU A 111 -1.043 -6.028 -1.737 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.183 -4.023 -0.443 1.00 0.00 C ATOM 1679 CG LEU A 111 -4.375 -3.167 -0.903 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.531 -3.228 -2.414 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -5.660 -3.598 -0.212 1.00 0.00 C ATOM 0 H LEU A 111 -4.510 -5.737 0.782 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.574 -5.577 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.122 -3.968 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.269 -3.577 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.173 -2.134 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.380 -2.615 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.625 -2.852 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -4.700 -4.260 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.485 -2.975 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.869 -4.641 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.548 -3.487 0.867 1.00 0.00 H new ATOM 1693 N ARG A 112 -1.483 -6.669 0.370 1.00 0.00 N ATOM 1694 CA ARG A 112 -0.158 -7.221 0.606 1.00 0.00 C ATOM 1695 C ARG A 112 -0.194 -8.737 0.652 1.00 0.00 C ATOM 1696 O ARG A 112 0.606 -9.374 1.340 1.00 0.00 O ATOM 1697 CB ARG A 112 0.412 -6.669 1.899 1.00 0.00 C ATOM 1698 CG ARG A 112 0.719 -5.188 1.826 1.00 0.00 C ATOM 1699 CD ARG A 112 1.249 -4.688 3.148 1.00 0.00 C ATOM 1700 NE ARG A 112 0.212 -4.676 4.180 1.00 0.00 N ATOM 1701 CZ ARG A 112 0.179 -5.507 5.220 1.00 0.00 C ATOM 1702 NH1 ARG A 112 1.099 -6.456 5.357 1.00 0.00 N ATOM 1703 NH2 ARG A 112 -0.793 -5.405 6.116 1.00 0.00 N ATOM 0 H ARG A 112 -2.126 -6.773 1.155 1.00 0.00 H new ATOM 0 HA ARG A 112 0.485 -6.926 -0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.297 -6.848 2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.324 -7.212 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.452 -5.002 1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.183 -4.637 1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.076 -5.321 3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.648 -3.682 3.022 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.535 -3.986 4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.839 -6.553 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.065 -7.088 6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.513 -4.691 6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.820 -6.040 6.913 1.00 0.00 H new ATOM 1717 N ALA A 113 -1.108 -9.307 -0.102 1.00 0.00 N ATOM 1718 CA ALA A 113 -1.292 -10.742 -0.123 1.00 0.00 C ATOM 1719 C ALA A 113 -1.047 -11.291 -1.517 1.00 0.00 C ATOM 1720 O ALA A 113 -1.166 -10.564 -2.504 1.00 0.00 O ATOM 1721 CB ALA A 113 -2.694 -11.066 0.340 1.00 0.00 C ATOM 0 H ALA A 113 -1.741 -8.793 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 113 -0.573 -11.210 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.841 -12.146 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.838 -10.692 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.416 -10.594 -0.327 1.00 0.00 H new ATOM 1727 N GLN A 114 -0.699 -12.568 -1.596 1.00 0.00 N ATOM 1728 CA GLN A 114 -0.463 -13.211 -2.880 1.00 0.00 C ATOM 1729 C GLN A 114 -1.779 -13.399 -3.624 1.00 0.00 C ATOM 1730 O GLN A 114 -2.850 -13.435 -3.013 1.00 0.00 O ATOM 1731 CB GLN A 114 0.250 -14.559 -2.709 1.00 0.00 C ATOM 1732 CG GLN A 114 -0.608 -15.668 -2.110 1.00 0.00 C ATOM 1733 CD GLN A 114 -0.962 -15.437 -0.653 1.00 0.00 C ATOM 1734 OE1 GLN A 114 -0.219 -14.793 0.088 1.00 0.00 O ATOM 1735 NE2 GLN A 114 -2.092 -15.976 -0.225 1.00 0.00 N ATOM 0 H GLN A 114 -0.574 -13.178 -0.788 1.00 0.00 H new ATOM 0 HA GLN A 114 0.188 -12.562 -3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 114 0.614 -14.887 -3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 114 1.124 -14.413 -2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -1.527 -15.759 -2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -0.078 -16.616 -2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.682 -16.503 -0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.373 -15.864 0.749 1.00 0.00 H new ATOM 1744 N GLU A 115 -1.692 -13.538 -4.932 1.00 0.00 N ATOM 1745 CA GLU A 115 -2.873 -13.558 -5.778 1.00 0.00 C ATOM 1746 C GLU A 115 -2.676 -14.505 -6.955 1.00 0.00 C ATOM 1747 O GLU A 115 -1.659 -15.195 -7.052 1.00 0.00 O ATOM 1748 CB GLU A 115 -3.172 -12.136 -6.287 1.00 0.00 C ATOM 1749 CG GLU A 115 -2.169 -11.597 -7.309 1.00 0.00 C ATOM 1750 CD GLU A 115 -0.752 -11.485 -6.776 1.00 0.00 C ATOM 1751 OE1 GLU A 115 -0.402 -10.429 -6.205 1.00 0.00 O ATOM 1752 OE2 GLU A 115 0.022 -12.452 -6.931 1.00 0.00 O ATOM 0 H GLU A 115 -0.811 -13.639 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.718 -13.915 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -4.166 -12.127 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.200 -11.458 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -2.168 -12.249 -8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.500 -10.614 -7.645 1.00 0.00 H new ATOM 1759 N ALA A 116 -3.664 -14.545 -7.837 1.00 0.00 N ATOM 1760 CA ALA A 116 -3.579 -15.334 -9.051 1.00 0.00 C ATOM 1761 C ALA A 116 -3.541 -14.409 -10.263 1.00 0.00 C ATOM 1762 O ALA A 116 -4.393 -13.529 -10.403 1.00 0.00 O ATOM 1763 CB ALA A 116 -4.750 -16.300 -9.145 1.00 0.00 C ATOM 0 H ALA A 116 -4.540 -14.034 -7.730 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.662 -15.922 -9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.668 -16.883 -10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.738 -16.971 -8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -5.685 -15.739 -9.154 1.00 0.00 H new ATOM 1769 N PRO A 117 -2.544 -14.585 -11.139 1.00 0.00 N ATOM 1770 CA PRO A 117 -2.363 -13.730 -12.315 1.00 0.00 C ATOM 1771 C PRO A 117 -3.436 -13.963 -13.376 1.00 0.00 C ATOM 1772 O PRO A 117 -3.350 -14.898 -14.177 1.00 0.00 O ATOM 1773 CB PRO A 117 -0.983 -14.127 -12.840 1.00 0.00 C ATOM 1774 CG PRO A 117 -0.763 -15.518 -12.349 1.00 0.00 C ATOM 1775 CD PRO A 117 -1.510 -15.634 -11.049 1.00 0.00 C ATOM 0 HA PRO A 117 -2.444 -12.672 -12.065 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -0.948 -14.084 -13.929 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -0.212 -13.452 -12.469 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -1.128 -16.247 -13.073 1.00 0.00 H new ATOM 0 HG3 PRO A 117 0.299 -15.715 -12.205 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -1.953 -16.623 -10.930 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -0.852 -15.474 -10.195 1.00 0.00 H new ATOM 1783 N GLY A 118 -4.451 -13.115 -13.370 1.00 0.00 N ATOM 1784 CA GLY A 118 -5.520 -13.241 -14.336 1.00 0.00 C ATOM 1785 C GLY A 118 -6.850 -13.545 -13.683 1.00 0.00 C ATOM 1786 O GLY A 118 -7.542 -14.484 -14.075 1.00 0.00 O ATOM 0 H GLY A 118 -4.554 -12.341 -12.713 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.601 -12.316 -14.908 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.276 -14.033 -15.044 1.00 0.00 H new ATOM 1790 N GLN A 119 -7.196 -12.766 -12.670 1.00 0.00 N ATOM 1791 CA GLN A 119 -8.482 -12.899 -12.004 1.00 0.00 C ATOM 1792 C GLN A 119 -9.231 -11.576 -12.051 1.00 0.00 C ATOM 1793 O GLN A 119 -10.092 -11.293 -11.218 1.00 0.00 O ATOM 1794 CB GLN A 119 -8.294 -13.366 -10.560 1.00 0.00 C ATOM 1795 CG GLN A 119 -7.904 -14.833 -10.446 1.00 0.00 C ATOM 1796 CD GLN A 119 -8.988 -15.769 -10.957 1.00 0.00 C ATOM 1797 OE1 GLN A 119 -9.846 -16.223 -10.198 1.00 0.00 O ATOM 1798 NE2 GLN A 119 -8.967 -16.054 -12.247 1.00 0.00 N ATOM 0 H GLN A 119 -6.600 -12.031 -12.289 1.00 0.00 H new ATOM 0 HA GLN A 119 -9.073 -13.652 -12.527 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -7.526 -12.755 -10.085 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -9.219 -13.200 -10.009 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -6.986 -15.006 -11.008 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -7.689 -15.068 -9.404 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -8.241 -15.659 -12.845 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -9.677 -16.669 -12.645 1.00 0.00 H new ATOM 1807 N ALA A 120 -8.891 -10.770 -13.045 1.00 0.00 N ATOM 1808 CA ALA A 120 -9.523 -9.477 -13.237 1.00 0.00 C ATOM 1809 C ALA A 120 -10.303 -9.473 -14.542 1.00 0.00 C ATOM 1810 O ALA A 120 -11.479 -9.903 -14.533 1.00 0.00 O ATOM 1811 CB ALA A 120 -8.480 -8.369 -13.226 1.00 0.00 C ATOM 1812 OXT ALA A 120 -9.734 -9.068 -15.579 1.00 0.00 O ATOM 0 H ALA A 120 -8.174 -10.993 -13.736 1.00 0.00 H new ATOM 0 HA ALA A 120 -10.217 -9.295 -12.416 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -8.970 -7.406 -13.371 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -7.958 -8.370 -12.269 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.763 -8.536 -14.030 1.00 0.00 H new TER 1818 ALA A 120 ATOM 1819 N GLN B 1 -17.695 25.391 -2.577 1.00 0.00 N ATOM 1820 CA GLN B 1 -16.465 24.572 -2.632 1.00 0.00 C ATOM 1821 C GLN B 1 -16.122 24.051 -1.242 1.00 0.00 C ATOM 1822 O GLN B 1 -16.352 24.731 -0.241 1.00 0.00 O ATOM 1823 CB GLN B 1 -15.305 25.416 -3.171 1.00 0.00 C ATOM 1824 CG GLN B 1 -14.067 24.611 -3.528 1.00 0.00 C ATOM 1825 CD GLN B 1 -14.345 23.572 -4.593 1.00 0.00 C ATOM 1826 OE1 GLN B 1 -14.656 22.422 -4.288 1.00 0.00 O ATOM 1827 NE2 GLN B 1 -14.267 23.981 -5.849 1.00 0.00 N ATOM 0 H1 GLN B 1 -17.630 26.163 -3.271 1.00 0.00 H new ATOM 0 H2 GLN B 1 -18.519 24.796 -2.798 1.00 0.00 H new ATOM 0 H3 GLN B 1 -17.803 25.792 -1.623 1.00 0.00 H new ATOM 0 HA GLN B 1 -16.632 23.724 -3.297 1.00 0.00 H new ATOM 0 HB2 GLN B 1 -15.643 25.955 -4.056 1.00 0.00 H new ATOM 0 HB3 GLN B 1 -15.036 26.164 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN B 1 -13.286 25.286 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN B 1 -13.686 24.118 -2.633 1.00 0.00 H new ATOM 0 HE21 GLN B 1 -14.005 24.945 -6.056 1.00 0.00 H new ATOM 0 HE22 GLN B 1 -14.469 23.333 -6.610 1.00 0.00 H new ATOM 1838 N ASP B 2 -15.593 22.840 -1.180 1.00 0.00 N ATOM 1839 CA ASP B 2 -15.170 22.266 0.091 1.00 0.00 C ATOM 1840 C ASP B 2 -13.646 22.238 0.142 1.00 0.00 C ATOM 1841 O ASP B 2 -12.990 22.863 -0.695 1.00 0.00 O ATOM 1842 CB ASP B 2 -15.745 20.853 0.271 1.00 0.00 C ATOM 1843 CG ASP B 2 -16.002 20.499 1.729 1.00 0.00 C ATOM 1844 OD1 ASP B 2 -15.063 20.574 2.547 1.00 0.00 O ATOM 1845 OD2 ASP B 2 -17.149 20.135 2.061 1.00 0.00 O ATOM 0 H ASP B 2 -15.446 22.237 -1.989 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.549 22.882 0.907 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -16.678 20.772 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -15.053 20.128 -0.157 1.00 0.00 H new ATOM 1850 N THR B 3 -13.087 21.525 1.101 1.00 0.00 N ATOM 1851 CA THR B 3 -11.645 21.462 1.257 1.00 0.00 C ATOM 1852 C THR B 3 -11.006 20.727 0.075 1.00 0.00 C ATOM 1853 O THR B 3 -11.343 19.573 -0.207 1.00 0.00 O ATOM 1854 CB THR B 3 -11.267 20.750 2.568 1.00 0.00 C ATOM 1855 OG1 THR B 3 -12.171 21.136 3.613 1.00 0.00 O ATOM 1856 CG2 THR B 3 -9.847 21.099 2.982 1.00 0.00 C ATOM 0 H THR B 3 -13.610 20.980 1.786 1.00 0.00 H new ATOM 0 HA THR B 3 -11.269 22.485 1.288 1.00 0.00 H new ATOM 0 HB THR B 3 -11.333 19.675 2.401 1.00 0.00 H new ATOM 0 HG1 THR B 3 -11.707 21.102 4.476 1.00 0.00 H new ATOM 0 HG21 THR B 3 -9.602 20.584 3.911 1.00 0.00 H new ATOM 0 HG22 THR B 3 -9.153 20.788 2.201 1.00 0.00 H new ATOM 0 HG23 THR B 3 -9.766 22.176 3.131 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.100 21.397 -0.623 1.00 0.00 N ATOM 1865 CA ARG B 4 -9.438 20.797 -1.773 1.00 0.00 C ATOM 1866 C ARG B 4 -8.174 20.071 -1.334 1.00 0.00 C ATOM 1867 O ARG B 4 -7.447 20.541 -0.454 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.092 21.857 -2.823 1.00 0.00 C ATOM 1869 CG ARG B 4 -8.646 21.271 -4.156 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.205 22.347 -5.140 1.00 0.00 C ATOM 1871 NE ARG B 4 -9.242 23.355 -5.371 1.00 0.00 N ATOM 1872 CZ ARG B 4 -9.605 23.796 -6.579 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -9.076 23.272 -7.676 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -10.508 24.763 -6.689 1.00 0.00 N ATOM 0 H ARG B 4 -9.807 22.352 -0.415 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.126 20.080 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -9.963 22.491 -2.988 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -8.300 22.497 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -7.823 20.576 -3.988 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.465 20.697 -4.591 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -7.307 22.835 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -7.939 21.880 -6.088 1.00 0.00 H new ATOM 0 HE ARG B 4 -9.718 23.745 -4.558 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -8.385 22.525 -7.603 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -9.360 23.616 -8.593 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -10.925 25.169 -5.851 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -10.785 25.100 -7.611 1.00 0.00 H new ATOM 1888 N LEU B 5 -7.921 18.927 -1.942 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.751 18.130 -1.640 1.00 0.00 C ATOM 1890 C LEU B 5 -5.735 18.279 -2.751 1.00 0.00 C ATOM 1891 O LEU B 5 -6.115 18.077 -3.920 1.00 0.00 O ATOM 1892 CB LEU B 5 -7.126 16.655 -1.468 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.613 16.252 -0.071 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.582 16.629 0.979 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -8.959 16.889 0.243 1.00 0.00 C ATOM 1896 OXT LEU B 5 -4.557 18.587 -2.454 1.00 0.00 O ATOM 0 H LEU B 5 -8.523 18.525 -2.660 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.321 18.484 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.906 16.411 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.257 16.046 -1.720 1.00 0.00 H new ATOM 0 HG LEU B 5 -7.743 15.170 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.943 16.336 1.965 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.644 16.115 0.769 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.418 17.706 0.958 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -9.281 16.587 1.239 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.865 17.974 0.206 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.696 16.563 -0.491 1.00 0.00 H new TER 1908 LEU B 5