USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=18 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 73 GLN : amide:sc= 0.0482 X(o=1.3,f=1.1) USER MOD Set 1.2: A 77 SER OG : rot 98:sc= 1.25 USER MOD Set 2.1: A 72 HIS : no HE2:sc= -1.81! C(o=-0.5!,f=-8!) USER MOD Set 2.2: B 3 THR OG1 : rot 111:sc= 1.31 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 150:sc= -0.827 USER MOD Single : A 16 CYS SG : rot 47:sc= 0.14 USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.33 (180deg=-0.656) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 24 TYR OH : rot -158:sc= 0.424 USER MOD Single : A 27 HIS : no HE2:sc= 1.02 K(o=1,f=-6!) USER MOD Single : A 29 HIS : +bothHN:sc= 1.78 K(o=1.8,f=-6.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.0703 (180deg=-0.363) USER MOD Single : A 37 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.2!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -84:sc= 1.26 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.27 K(o=0.27,f=-6.3!) USER MOD Single : A 66 ASN : amide:sc= 1.28 K(o=1.3,f=-2.9) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 170:sc= -1.88! USER MOD Single : A 74 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.36) USER MOD Single : A 84 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.0086) USER MOD Single : A 95 THR OG1 : rot 169:sc= -1.75! USER MOD Single : A 98 GLN : amide:sc= 0.714 K(o=0.71,f=-0.0058) USER MOD Single : A 100 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.12) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.038 (180deg=-0.282) USER MOD Single : A 105 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.95) USER MOD Single : A 114 GLN : amide:sc= -0.217 K(o=-0.22,f=-5.1!) USER MOD Single : A 119 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.11) USER MOD Single : B 1 GLN :FLIP amide:sc= -0.0896 F(o=-1,f=-0.09) USER MOD Single : B 1 GLN N :NH3+ -170:sc= 0 (180deg=-0.0876) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -22.580 -15.906 1.412 1.00 0.00 N ATOM 2 CA GLY A 4 -21.999 -17.263 1.574 1.00 0.00 C ATOM 3 C GLY A 4 -20.490 -17.223 1.537 1.00 0.00 C ATOM 4 O GLY A 4 -19.871 -16.476 2.295 1.00 0.00 O ATOM 0 HA2 GLY A 4 -22.330 -17.692 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.367 -17.915 0.782 1.00 0.00 H new ATOM 10 N ILE A 5 -19.891 -18.006 0.653 1.00 0.00 N ATOM 11 CA ILE A 5 -18.453 -17.971 0.470 1.00 0.00 C ATOM 12 C ILE A 5 -18.125 -17.031 -0.680 1.00 0.00 C ATOM 13 O ILE A 5 -18.537 -17.239 -1.825 1.00 0.00 O ATOM 14 CB ILE A 5 -17.856 -19.392 0.250 1.00 0.00 C ATOM 15 CG1 ILE A 5 -16.313 -19.368 0.177 1.00 0.00 C ATOM 16 CG2 ILE A 5 -18.448 -20.064 -0.983 1.00 0.00 C ATOM 17 CD1 ILE A 5 -15.733 -18.905 -1.149 1.00 0.00 C ATOM 0 H ILE A 5 -20.379 -18.671 0.053 1.00 0.00 H new ATOM 0 HA ILE A 5 -17.989 -17.594 1.381 1.00 0.00 H new ATOM 0 HB ILE A 5 -18.132 -19.986 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.938 -18.716 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -15.940 -20.370 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -18.008 -21.054 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -19.527 -20.159 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -18.233 -19.460 -1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.644 -18.924 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -16.070 -19.569 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -16.068 -17.889 -1.358 1.00 0.00 H new ATOM 29 N ASP A 6 -17.420 -15.973 -0.353 1.00 0.00 N ATOM 30 CA ASP A 6 -17.084 -14.948 -1.327 1.00 0.00 C ATOM 31 C ASP A 6 -15.581 -14.826 -1.472 1.00 0.00 C ATOM 32 O ASP A 6 -14.868 -14.647 -0.485 1.00 0.00 O ATOM 33 CB ASP A 6 -17.680 -13.597 -0.923 1.00 0.00 C ATOM 34 CG ASP A 6 -19.181 -13.532 -1.129 1.00 0.00 C ATOM 35 OD1 ASP A 6 -19.930 -14.072 -0.288 1.00 0.00 O ATOM 36 OD2 ASP A 6 -19.625 -12.954 -2.142 1.00 0.00 O ATOM 0 H ASP A 6 -17.064 -15.795 0.586 1.00 0.00 H new ATOM 0 HA ASP A 6 -17.509 -15.243 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.453 -13.404 0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.204 -12.807 -1.503 1.00 0.00 H new ATOM 41 N PRO A 7 -15.079 -14.958 -2.709 1.00 0.00 N ATOM 42 CA PRO A 7 -13.657 -14.786 -3.017 1.00 0.00 C ATOM 43 C PRO A 7 -13.201 -13.348 -2.816 1.00 0.00 C ATOM 44 O PRO A 7 -14.008 -12.453 -2.550 1.00 0.00 O ATOM 45 CB PRO A 7 -13.555 -15.157 -4.503 1.00 0.00 C ATOM 46 CG PRO A 7 -14.810 -15.892 -4.808 1.00 0.00 C ATOM 47 CD PRO A 7 -15.854 -15.302 -3.909 1.00 0.00 C ATOM 0 HA PRO A 7 -13.029 -15.395 -2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.459 -14.267 -5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.679 -15.777 -4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -15.086 -15.778 -5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -14.693 -16.960 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.325 -14.425 -4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.650 -16.014 -3.689 1.00 0.00 H new ATOM 55 N PHE A 8 -11.907 -13.129 -2.967 1.00 0.00 N ATOM 56 CA PHE A 8 -11.335 -11.805 -2.792 1.00 0.00 C ATOM 57 C PHE A 8 -11.574 -10.957 -4.032 1.00 0.00 C ATOM 58 O PHE A 8 -10.707 -10.831 -4.898 1.00 0.00 O ATOM 59 CB PHE A 8 -9.839 -11.901 -2.481 1.00 0.00 C ATOM 60 CG PHE A 8 -9.546 -12.547 -1.155 1.00 0.00 C ATOM 61 CD1 PHE A 8 -9.683 -11.830 0.021 1.00 0.00 C ATOM 62 CD2 PHE A 8 -9.135 -13.867 -1.086 1.00 0.00 C ATOM 63 CE1 PHE A 8 -9.415 -12.418 1.243 1.00 0.00 C ATOM 64 CE2 PHE A 8 -8.866 -14.460 0.134 1.00 0.00 C ATOM 65 CZ PHE A 8 -9.007 -13.735 1.299 1.00 0.00 C ATOM 0 H PHE A 8 -11.231 -13.852 -3.211 1.00 0.00 H new ATOM 0 HA PHE A 8 -11.827 -11.324 -1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.347 -12.469 -3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.408 -10.900 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.003 -10.799 -0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.023 -14.440 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.525 -11.847 2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.546 -15.491 0.175 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.799 -14.197 2.253 1.00 0.00 H new ATOM 75 N THR A 9 -12.770 -10.397 -4.113 1.00 0.00 N ATOM 76 CA THR A 9 -13.160 -9.562 -5.231 1.00 0.00 C ATOM 77 C THR A 9 -13.453 -8.146 -4.750 1.00 0.00 C ATOM 78 O THR A 9 -13.852 -7.952 -3.598 1.00 0.00 O ATOM 79 CB THR A 9 -14.404 -10.138 -5.946 1.00 0.00 C ATOM 80 OG1 THR A 9 -14.743 -9.335 -7.088 1.00 0.00 O ATOM 81 CG2 THR A 9 -15.595 -10.214 -4.996 1.00 0.00 C ATOM 0 H THR A 9 -13.495 -10.510 -3.405 1.00 0.00 H new ATOM 0 HA THR A 9 -12.333 -9.540 -5.941 1.00 0.00 H new ATOM 0 HB THR A 9 -14.161 -11.147 -6.278 1.00 0.00 H new ATOM 0 HG1 THR A 9 -15.531 -9.713 -7.531 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.456 -10.623 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 9 -15.347 -10.859 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 9 -15.834 -9.215 -4.631 1.00 0.00 H new ATOM 89 N MET A 10 -13.236 -7.170 -5.630 1.00 0.00 N ATOM 90 CA MET A 10 -13.526 -5.770 -5.332 1.00 0.00 C ATOM 91 C MET A 10 -12.739 -5.298 -4.112 1.00 0.00 C ATOM 92 O MET A 10 -13.311 -4.874 -3.111 1.00 0.00 O ATOM 93 CB MET A 10 -15.028 -5.568 -5.098 1.00 0.00 C ATOM 94 CG MET A 10 -15.889 -5.794 -6.329 1.00 0.00 C ATOM 95 SD MET A 10 -15.552 -4.601 -7.640 1.00 0.00 S ATOM 96 CE MET A 10 -16.822 -5.050 -8.822 1.00 0.00 C ATOM 0 H MET A 10 -12.857 -7.327 -6.564 1.00 0.00 H new ATOM 0 HA MET A 10 -13.221 -5.174 -6.192 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.356 -6.247 -4.310 1.00 0.00 H new ATOM 0 HB3 MET A 10 -15.194 -4.554 -4.734 1.00 0.00 H new ATOM 0 HG2 MET A 10 -15.718 -6.802 -6.707 1.00 0.00 H new ATOM 0 HG3 MET A 10 -16.941 -5.733 -6.049 1.00 0.00 H new ATOM 0 HE1 MET A 10 -16.751 -4.403 -9.696 1.00 0.00 H new ATOM 0 HE2 MET A 10 -16.685 -6.088 -9.126 1.00 0.00 H new ATOM 0 HE3 MET A 10 -17.804 -4.933 -8.363 1.00 0.00 H new ATOM 106 N LEU A 11 -11.423 -5.367 -4.202 1.00 0.00 N ATOM 107 CA LEU A 11 -10.572 -5.010 -3.080 1.00 0.00 C ATOM 108 C LEU A 11 -10.329 -3.505 -3.067 1.00 0.00 C ATOM 109 O LEU A 11 -10.243 -2.877 -4.123 1.00 0.00 O ATOM 110 CB LEU A 11 -9.232 -5.761 -3.142 1.00 0.00 C ATOM 111 CG LEU A 11 -9.317 -7.294 -3.144 1.00 0.00 C ATOM 112 CD1 LEU A 11 -10.322 -7.785 -2.114 1.00 0.00 C ATOM 113 CD2 LEU A 11 -9.644 -7.826 -4.531 1.00 0.00 C ATOM 0 H LEU A 11 -10.921 -5.666 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.081 -5.299 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.703 -5.445 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.626 -5.452 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.338 -7.683 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.363 -8.874 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.017 -7.453 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.307 -7.380 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.697 -8.914 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.603 -7.425 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.866 -7.521 -5.231 1.00 0.00 H new ATOM 125 N PRO A 12 -10.240 -2.905 -1.868 1.00 0.00 N ATOM 126 CA PRO A 12 -10.001 -1.471 -1.717 1.00 0.00 C ATOM 127 C PRO A 12 -8.708 -1.051 -2.402 1.00 0.00 C ATOM 128 O PRO A 12 -7.642 -1.610 -2.139 1.00 0.00 O ATOM 129 CB PRO A 12 -9.908 -1.262 -0.200 1.00 0.00 C ATOM 130 CG PRO A 12 -9.689 -2.620 0.372 1.00 0.00 C ATOM 131 CD PRO A 12 -10.353 -3.581 -0.571 1.00 0.00 C ATOM 0 HA PRO A 12 -10.787 -0.872 -2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.088 -0.591 0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.821 -0.813 0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.625 -2.837 0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.118 -2.696 1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.854 -4.550 -0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.393 -3.760 -0.299 1.00 0.00 H new ATOM 139 N ARG A 13 -8.809 -0.070 -3.280 1.00 0.00 N ATOM 140 CA ARG A 13 -7.685 0.326 -4.106 1.00 0.00 C ATOM 141 C ARG A 13 -6.816 1.354 -3.389 1.00 0.00 C ATOM 142 O ARG A 13 -7.317 2.331 -2.828 1.00 0.00 O ATOM 143 CB ARG A 13 -8.190 0.867 -5.451 1.00 0.00 C ATOM 144 CG ARG A 13 -9.053 2.117 -5.334 1.00 0.00 C ATOM 145 CD ARG A 13 -9.847 2.374 -6.606 1.00 0.00 C ATOM 146 NE ARG A 13 -9.000 2.385 -7.798 1.00 0.00 N ATOM 147 CZ ARG A 13 -9.423 2.027 -9.009 1.00 0.00 C ATOM 148 NH1 ARG A 13 -10.680 1.636 -9.183 1.00 0.00 N ATOM 149 NH2 ARG A 13 -8.589 2.057 -10.040 1.00 0.00 N ATOM 0 H ARG A 13 -9.661 0.468 -3.439 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.064 -0.549 -4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.332 1.089 -6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.764 0.087 -5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.738 2.009 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.419 2.978 -5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.613 1.606 -6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.364 3.330 -6.522 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.030 2.684 -7.696 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.321 1.610 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.005 1.362 -10.110 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.623 2.354 -9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.914 1.783 -10.967 1.00 0.00 H new ATOM 163 N LEU A 14 -5.516 1.101 -3.381 1.00 0.00 N ATOM 164 CA LEU A 14 -4.563 2.035 -2.812 1.00 0.00 C ATOM 165 C LEU A 14 -4.074 2.964 -3.910 1.00 0.00 C ATOM 166 O LEU A 14 -3.369 2.542 -4.826 1.00 0.00 O ATOM 167 CB LEU A 14 -3.388 1.287 -2.160 1.00 0.00 C ATOM 168 CG LEU A 14 -2.400 2.154 -1.362 1.00 0.00 C ATOM 169 CD1 LEU A 14 -1.683 1.314 -0.320 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.376 2.805 -2.283 1.00 0.00 C ATOM 0 H LEU A 14 -5.098 0.253 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.048 2.621 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.792 0.525 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.835 0.766 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.971 2.938 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.987 1.941 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.413 0.884 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.134 0.513 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.690 3.412 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.816 2.032 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.889 3.438 -3.008 1.00 0.00 H new ATOM 182 N CYS A 15 -4.471 4.215 -3.822 1.00 0.00 N ATOM 183 CA CYS A 15 -4.120 5.194 -4.828 1.00 0.00 C ATOM 184 C CYS A 15 -3.021 6.114 -4.311 1.00 0.00 C ATOM 185 O CYS A 15 -3.196 6.804 -3.307 1.00 0.00 O ATOM 186 CB CYS A 15 -5.357 6.004 -5.212 1.00 0.00 C ATOM 187 SG CYS A 15 -6.757 4.989 -5.736 1.00 0.00 S ATOM 0 H CYS A 15 -5.041 4.580 -3.059 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.746 4.678 -5.712 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.660 6.613 -4.360 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.095 6.690 -6.018 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.868 5.594 -5.437 1.00 0.00 H new ATOM 193 N CYS A 16 -1.881 6.097 -4.982 1.00 0.00 N ATOM 194 CA CYS A 16 -0.776 6.970 -4.629 1.00 0.00 C ATOM 195 C CYS A 16 -0.884 8.294 -5.372 1.00 0.00 C ATOM 196 O CYS A 16 -0.678 8.360 -6.586 1.00 0.00 O ATOM 197 CB CYS A 16 0.556 6.283 -4.933 1.00 0.00 C ATOM 198 SG CYS A 16 0.568 5.345 -6.480 1.00 0.00 S ATOM 0 H CYS A 16 -1.697 5.485 -5.777 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.821 7.178 -3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.341 7.038 -4.972 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.801 5.611 -4.111 1.00 0.00 H new ATOM 0 HG CYS A 16 0.048 6.066 -7.429 1.00 0.00 H new ATOM 204 N LEU A 17 -1.231 9.340 -4.639 1.00 0.00 N ATOM 205 CA LEU A 17 -1.374 10.666 -5.216 1.00 0.00 C ATOM 206 C LEU A 17 -0.127 11.493 -4.953 1.00 0.00 C ATOM 207 O LEU A 17 0.427 11.461 -3.855 1.00 0.00 O ATOM 208 CB LEU A 17 -2.606 11.390 -4.655 1.00 0.00 C ATOM 209 CG LEU A 17 -3.967 10.870 -5.134 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.328 9.553 -4.473 1.00 0.00 C ATOM 211 CD2 LEU A 17 -5.046 11.907 -4.879 1.00 0.00 C ATOM 0 H LEU A 17 -1.420 9.295 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.508 10.547 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.577 11.325 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.531 12.446 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.895 10.690 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.299 9.217 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.571 8.806 -4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.374 9.689 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.007 11.525 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.102 12.119 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.805 12.823 -5.419 1.00 0.00 H new ATOM 223 N GLU A 18 0.309 12.223 -5.962 1.00 0.00 N ATOM 224 CA GLU A 18 1.481 13.070 -5.846 1.00 0.00 C ATOM 225 C GLU A 18 1.061 14.533 -5.844 1.00 0.00 C ATOM 226 O GLU A 18 0.132 14.917 -6.557 1.00 0.00 O ATOM 227 CB GLU A 18 2.437 12.798 -7.008 1.00 0.00 C ATOM 228 CG GLU A 18 3.758 13.540 -6.897 1.00 0.00 C ATOM 229 CD GLU A 18 4.708 13.203 -8.022 1.00 0.00 C ATOM 230 OE1 GLU A 18 4.608 13.830 -9.099 1.00 0.00 O ATOM 231 OE2 GLU A 18 5.560 12.308 -7.836 1.00 0.00 O ATOM 0 H GLU A 18 -0.136 12.246 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 18 1.993 12.847 -4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.635 11.727 -7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.950 13.079 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.569 14.613 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.228 13.297 -5.944 1.00 0.00 H new ATOM 238 N LYS A 19 1.722 15.336 -5.018 1.00 0.00 N ATOM 239 CA LYS A 19 1.432 16.755 -4.940 1.00 0.00 C ATOM 240 C LYS A 19 1.670 17.427 -6.285 1.00 0.00 C ATOM 241 O LYS A 19 2.746 17.308 -6.877 1.00 0.00 O ATOM 242 CB LYS A 19 2.281 17.436 -3.865 1.00 0.00 C ATOM 243 CG LYS A 19 2.018 18.931 -3.750 1.00 0.00 C ATOM 244 CD LYS A 19 0.951 19.267 -2.712 1.00 0.00 C ATOM 245 CE LYS A 19 -0.381 18.579 -2.970 1.00 0.00 C ATOM 246 NZ LYS A 19 -1.396 18.928 -1.932 1.00 0.00 N ATOM 0 H LYS A 19 2.464 15.023 -4.392 1.00 0.00 H new ATOM 0 HA LYS A 19 0.381 16.861 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.084 16.964 -2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.336 17.275 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.946 19.439 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.707 19.316 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.313 18.982 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.797 20.346 -2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.754 18.866 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.235 17.499 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.344 18.673 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.191 18.405 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.360 19.950 -1.741 1.00 0.00 H new ATOM 260 N GLY A 20 0.656 18.127 -6.753 1.00 0.00 N ATOM 261 CA GLY A 20 0.744 18.802 -8.029 1.00 0.00 C ATOM 262 C GLY A 20 0.974 20.290 -7.867 1.00 0.00 C ATOM 263 O GLY A 20 1.511 20.721 -6.848 1.00 0.00 O ATOM 0 H GLY A 20 -0.235 18.242 -6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.557 18.371 -8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.175 18.636 -8.591 1.00 0.00 H new ATOM 267 N PRO A 21 0.547 21.100 -8.853 1.00 0.00 N ATOM 268 CA PRO A 21 0.782 22.553 -8.863 1.00 0.00 C ATOM 269 C PRO A 21 0.276 23.255 -7.600 1.00 0.00 C ATOM 270 O PRO A 21 0.983 24.076 -7.012 1.00 0.00 O ATOM 271 CB PRO A 21 0.010 23.032 -10.096 1.00 0.00 C ATOM 272 CG PRO A 21 -0.081 21.834 -10.977 1.00 0.00 C ATOM 273 CD PRO A 21 -0.193 20.657 -10.049 1.00 0.00 C ATOM 0 HA PRO A 21 1.847 22.784 -8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.980 23.400 -9.825 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.529 23.851 -10.594 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.947 21.897 -11.636 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.799 21.748 -11.614 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.232 20.425 -9.817 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.245 19.758 -10.484 1.00 0.00 H new ATOM 281 N ASN A 22 -0.948 22.937 -7.185 1.00 0.00 N ATOM 282 CA ASN A 22 -1.511 23.525 -5.969 1.00 0.00 C ATOM 283 C ASN A 22 -2.142 22.453 -5.090 1.00 0.00 C ATOM 284 O ASN A 22 -2.708 22.749 -4.037 1.00 0.00 O ATOM 285 CB ASN A 22 -2.561 24.596 -6.306 1.00 0.00 C ATOM 286 CG ASN A 22 -3.869 24.006 -6.812 1.00 0.00 C ATOM 287 OD1 ASN A 22 -4.769 23.695 -6.031 1.00 0.00 O ATOM 288 ND2 ASN A 22 -3.995 23.878 -8.121 1.00 0.00 N ATOM 0 H ASN A 22 -1.565 22.282 -7.666 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.692 23.995 -5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.759 25.196 -5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.156 25.269 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.860 23.511 -8.517 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.227 24.147 -8.736 1.00 0.00 H new ATOM 295 N GLY A 23 -2.022 21.202 -5.508 1.00 0.00 N ATOM 296 CA GLY A 23 -2.705 20.135 -4.815 1.00 0.00 C ATOM 297 C GLY A 23 -2.703 18.843 -5.597 1.00 0.00 C ATOM 298 O GLY A 23 -2.029 18.734 -6.617 1.00 0.00 O ATOM 0 H GLY A 23 -1.466 20.909 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.229 19.971 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.734 20.435 -4.617 1.00 0.00 H new ATOM 302 N TYR A 24 -3.452 17.867 -5.111 1.00 0.00 N ATOM 303 CA TYR A 24 -3.561 16.570 -5.762 1.00 0.00 C ATOM 304 C TYR A 24 -4.639 16.621 -6.829 1.00 0.00 C ATOM 305 O TYR A 24 -4.612 15.864 -7.797 1.00 0.00 O ATOM 306 CB TYR A 24 -3.889 15.478 -4.743 1.00 0.00 C ATOM 307 CG TYR A 24 -2.914 15.411 -3.592 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.589 15.067 -3.803 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.316 15.715 -2.300 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.692 15.015 -2.756 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.426 15.667 -1.247 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.115 15.320 -1.480 1.00 0.00 C ATOM 313 OH TYR A 24 -0.225 15.278 -0.433 1.00 0.00 O ATOM 0 H TYR A 24 -4.001 17.950 -4.255 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.603 16.333 -6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.891 15.649 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.906 14.513 -5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.253 14.836 -4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.343 15.994 -2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.336 14.737 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.756 15.900 -0.246 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.715 15.170 0.409 1.00 0.00 H new ATOM 323 N GLY A 25 -5.603 17.504 -6.626 1.00 0.00 N ATOM 324 CA GLY A 25 -6.586 17.767 -7.648 1.00 0.00 C ATOM 325 C GLY A 25 -7.933 17.134 -7.370 1.00 0.00 C ATOM 326 O GLY A 25 -8.708 16.901 -8.301 1.00 0.00 O ATOM 0 H GLY A 25 -5.720 18.044 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.714 18.845 -7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.212 17.400 -8.604 1.00 0.00 H new ATOM 330 N PHE A 26 -8.244 16.873 -6.108 1.00 0.00 N ATOM 331 CA PHE A 26 -9.557 16.353 -5.775 1.00 0.00 C ATOM 332 C PHE A 26 -10.145 17.111 -4.607 1.00 0.00 C ATOM 333 O PHE A 26 -9.427 17.728 -3.822 1.00 0.00 O ATOM 334 CB PHE A 26 -9.525 14.849 -5.468 1.00 0.00 C ATOM 335 CG PHE A 26 -8.833 14.474 -4.186 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.452 14.433 -4.106 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.576 14.136 -3.064 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.824 14.060 -2.933 1.00 0.00 C ATOM 339 CE2 PHE A 26 -8.954 13.768 -1.889 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.577 13.729 -1.823 1.00 0.00 C ATOM 0 H PHE A 26 -7.618 17.010 -5.315 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.190 16.494 -6.651 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.550 14.480 -5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.031 14.336 -6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.859 14.695 -4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.655 14.161 -3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.746 14.027 -2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.544 13.511 -1.022 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.088 13.440 -0.905 1.00 0.00 H new ATOM 350 N HIS A 27 -11.455 17.078 -4.516 1.00 0.00 N ATOM 351 CA HIS A 27 -12.159 17.729 -3.436 1.00 0.00 C ATOM 352 C HIS A 27 -12.623 16.701 -2.427 1.00 0.00 C ATOM 353 O HIS A 27 -13.358 15.773 -2.767 1.00 0.00 O ATOM 354 CB HIS A 27 -13.356 18.524 -3.961 1.00 0.00 C ATOM 355 CG HIS A 27 -13.024 19.930 -4.352 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.482 21.024 -3.656 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.283 20.419 -5.374 1.00 0.00 C ATOM 358 CE1 HIS A 27 -13.039 22.126 -4.226 1.00 0.00 C ATOM 359 NE2 HIS A 27 -12.309 21.788 -5.272 1.00 0.00 N ATOM 0 H HIS A 27 -12.060 16.602 -5.185 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.473 18.425 -2.952 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -13.774 18.006 -4.824 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.131 18.543 -3.195 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -14.074 20.988 -2.826 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.768 19.841 -6.128 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.239 23.134 -3.894 1.00 0.00 H new ATOM 368 N LEU A 28 -12.190 16.870 -1.194 1.00 0.00 N ATOM 369 CA LEU A 28 -12.610 15.995 -0.127 1.00 0.00 C ATOM 370 C LEU A 28 -13.755 16.677 0.590 1.00 0.00 C ATOM 371 O LEU A 28 -13.614 17.796 1.083 1.00 0.00 O ATOM 372 CB LEU A 28 -11.438 15.718 0.834 1.00 0.00 C ATOM 373 CG LEU A 28 -11.559 14.470 1.730 1.00 0.00 C ATOM 374 CD1 LEU A 28 -12.647 14.634 2.782 1.00 0.00 C ATOM 375 CD2 LEU A 28 -11.819 13.231 0.884 1.00 0.00 C ATOM 0 H LEU A 28 -11.546 17.608 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.934 15.031 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.527 15.625 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.313 16.589 1.478 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.611 14.348 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.701 13.733 3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.414 15.489 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.606 14.797 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.902 12.359 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.747 13.359 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.994 13.087 0.186 1.00 0.00 H new ATOM 387 N HIS A 29 -14.889 16.017 0.624 1.00 0.00 N ATOM 388 CA HIS A 29 -16.073 16.592 1.195 1.00 0.00 C ATOM 389 C HIS A 29 -16.362 15.924 2.527 1.00 0.00 C ATOM 390 O HIS A 29 -16.136 14.725 2.682 1.00 0.00 O ATOM 391 CB HIS A 29 -17.238 16.415 0.223 1.00 0.00 C ATOM 392 CG HIS A 29 -18.521 16.966 0.729 1.00 0.00 C ATOM 393 ND1 HIS A 29 -18.902 18.273 0.553 1.00 0.00 N ATOM 394 CD2 HIS A 29 -19.501 16.374 1.428 1.00 0.00 C ATOM 395 CE1 HIS A 29 -20.073 18.464 1.134 1.00 0.00 C ATOM 396 NE2 HIS A 29 -20.461 17.320 1.676 1.00 0.00 N ATOM 0 H HIS A 29 -15.011 15.073 0.258 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.931 17.658 1.370 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.990 16.901 -0.721 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.366 15.353 0.011 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -18.367 18.983 0.054 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -19.528 15.340 1.739 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.620 19.395 1.162 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -21.328 17.168 2.191 1.00 0.00 H new ATOM 405 N GLY A 30 -16.822 16.703 3.494 1.00 0.00 N ATOM 406 CA GLY A 30 -17.091 16.158 4.801 1.00 0.00 C ATOM 407 C GLY A 30 -18.372 16.688 5.400 1.00 0.00 C ATOM 408 O GLY A 30 -18.656 17.885 5.325 1.00 0.00 O ATOM 0 H GLY A 30 -17.012 17.700 3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.149 15.072 4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.260 16.392 5.466 1.00 0.00 H new ATOM 412 N GLU A 31 -19.147 15.785 5.972 1.00 0.00 N ATOM 413 CA GLU A 31 -20.355 16.145 6.692 1.00 0.00 C ATOM 414 C GLU A 31 -19.993 16.563 8.112 1.00 0.00 C ATOM 415 O GLU A 31 -18.965 16.133 8.646 1.00 0.00 O ATOM 416 CB GLU A 31 -21.317 14.954 6.714 1.00 0.00 C ATOM 417 CG GLU A 31 -22.226 14.855 5.493 1.00 0.00 C ATOM 418 CD GLU A 31 -21.593 15.359 4.214 1.00 0.00 C ATOM 419 OE1 GLU A 31 -20.828 14.602 3.586 1.00 0.00 O ATOM 420 OE2 GLU A 31 -21.875 16.514 3.818 1.00 0.00 O ATOM 0 H GLU A 31 -18.957 14.783 5.951 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.845 16.980 6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -20.736 14.035 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.936 15.019 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -22.521 13.815 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.137 15.422 5.684 1.00 0.00 H new ATOM 427 N LYS A 32 -20.830 17.392 8.724 1.00 0.00 N ATOM 428 CA LYS A 32 -20.533 17.918 10.050 1.00 0.00 C ATOM 429 C LYS A 32 -20.921 16.912 11.129 1.00 0.00 C ATOM 430 O LYS A 32 -21.914 17.077 11.838 1.00 0.00 O ATOM 431 CB LYS A 32 -21.230 19.262 10.282 1.00 0.00 C ATOM 432 CG LYS A 32 -20.815 19.937 11.584 1.00 0.00 C ATOM 433 CD LYS A 32 -21.391 21.337 11.711 1.00 0.00 C ATOM 434 CE LYS A 32 -22.911 21.334 11.708 1.00 0.00 C ATOM 435 NZ LYS A 32 -23.464 22.694 11.940 1.00 0.00 N ATOM 0 H LYS A 32 -21.713 17.712 8.327 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.458 18.086 10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.008 19.928 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.309 19.108 10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -21.146 19.331 12.427 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -19.727 19.987 11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.032 21.794 12.633 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.029 21.953 10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -23.272 20.952 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.275 20.656 12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -24.503 22.652 11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -23.139 23.048 12.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -23.137 23.335 11.189 1.00 0.00 H new ATOM 449 N GLY A 33 -20.130 15.863 11.221 1.00 0.00 N ATOM 450 CA GLY A 33 -20.308 14.863 12.246 1.00 0.00 C ATOM 451 C GLY A 33 -18.981 14.239 12.611 1.00 0.00 C ATOM 452 O GLY A 33 -18.147 14.876 13.260 1.00 0.00 O ATOM 0 H GLY A 33 -19.350 15.683 10.589 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.759 15.315 13.129 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.995 14.093 11.896 1.00 0.00 H new ATOM 456 N LYS A 34 -18.775 13.006 12.183 1.00 0.00 N ATOM 457 CA LYS A 34 -17.487 12.354 12.331 1.00 0.00 C ATOM 458 C LYS A 34 -17.134 11.658 11.028 1.00 0.00 C ATOM 459 O LYS A 34 -16.290 12.131 10.271 1.00 0.00 O ATOM 460 CB LYS A 34 -17.504 11.358 13.501 1.00 0.00 C ATOM 461 CG LYS A 34 -17.749 12.028 14.842 1.00 0.00 C ATOM 462 CD LYS A 34 -17.684 11.047 15.997 1.00 0.00 C ATOM 463 CE LYS A 34 -17.838 11.760 17.332 1.00 0.00 C ATOM 464 NZ LYS A 34 -16.738 12.735 17.576 1.00 0.00 N ATOM 0 H LYS A 34 -19.487 12.434 11.728 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.728 13.103 12.557 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -18.279 10.612 13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.553 10.827 13.534 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.009 12.814 14.994 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.727 12.509 14.832 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.470 10.300 15.888 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.733 10.515 15.973 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.795 12.280 17.356 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.855 11.024 18.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.732 13.008 18.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.826 12.299 17.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.886 13.580 16.988 1.00 0.00 H new ATOM 478 N LEU A 35 -17.833 10.572 10.741 1.00 0.00 N ATOM 479 CA LEU A 35 -17.612 9.831 9.512 1.00 0.00 C ATOM 480 C LEU A 35 -18.241 10.560 8.339 1.00 0.00 C ATOM 481 O LEU A 35 -19.338 11.111 8.451 1.00 0.00 O ATOM 482 CB LEU A 35 -18.193 8.420 9.606 1.00 0.00 C ATOM 483 CG LEU A 35 -17.602 7.546 10.708 1.00 0.00 C ATOM 484 CD1 LEU A 35 -18.366 7.726 12.009 1.00 0.00 C ATOM 485 CD2 LEU A 35 -17.597 6.090 10.272 1.00 0.00 C ATOM 0 H LEU A 35 -18.559 10.184 11.344 1.00 0.00 H new ATOM 0 HA LEU A 35 -16.536 9.754 9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -19.269 8.497 9.763 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.046 7.919 8.649 1.00 0.00 H new ATOM 0 HG LEU A 35 -16.572 7.856 10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.926 7.093 12.780 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.312 8.769 12.321 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.409 7.446 11.860 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.173 5.474 11.065 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -18.618 5.768 10.068 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.996 5.983 9.369 1.00 0.00 H new ATOM 497 N GLY A 36 -17.547 10.573 7.219 1.00 0.00 N ATOM 498 CA GLY A 36 -18.067 11.231 6.044 1.00 0.00 C ATOM 499 C GLY A 36 -16.975 11.781 5.163 1.00 0.00 C ATOM 500 O GLY A 36 -16.965 12.967 4.844 1.00 0.00 O ATOM 0 H GLY A 36 -16.631 10.140 7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -18.670 10.525 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -18.728 12.042 6.348 1.00 0.00 H new ATOM 504 N GLN A 37 -16.045 10.922 4.787 1.00 0.00 N ATOM 505 CA GLN A 37 -14.980 11.299 3.880 1.00 0.00 C ATOM 506 C GLN A 37 -15.343 10.832 2.482 1.00 0.00 C ATOM 507 O GLN A 37 -15.408 9.629 2.222 1.00 0.00 O ATOM 508 CB GLN A 37 -13.650 10.656 4.302 1.00 0.00 C ATOM 509 CG GLN A 37 -13.167 11.025 5.701 1.00 0.00 C ATOM 510 CD GLN A 37 -14.054 10.490 6.814 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.706 9.453 6.671 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.081 11.196 7.931 1.00 0.00 N ATOM 0 H GLN A 37 -16.007 9.952 5.099 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.861 12.382 3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.754 9.572 4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.882 10.941 3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.155 10.643 5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.112 12.111 5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.527 12.049 8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.656 10.888 8.715 1.00 0.00 H new ATOM 521 N TYR A 38 -15.562 11.775 1.581 1.00 0.00 N ATOM 522 CA TYR A 38 -16.019 11.444 0.239 1.00 0.00 C ATOM 523 C TYR A 38 -15.332 12.312 -0.804 1.00 0.00 C ATOM 524 O TYR A 38 -15.215 13.528 -0.635 1.00 0.00 O ATOM 525 CB TYR A 38 -17.546 11.604 0.142 1.00 0.00 C ATOM 526 CG TYR A 38 -18.302 10.656 1.049 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.223 9.285 0.845 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.063 11.120 2.122 1.00 0.00 C ATOM 529 CE1 TYR A 38 -18.881 8.403 1.672 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.721 10.235 2.959 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.625 8.878 2.728 1.00 0.00 C ATOM 532 OH TYR A 38 -20.265 7.986 3.561 1.00 0.00 O ATOM 0 H TYR A 38 -15.432 12.772 1.752 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.758 10.405 0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -17.814 12.630 0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.858 11.437 -0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.635 8.904 0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.140 12.182 2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -18.814 7.340 1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.306 10.605 3.788 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.747 8.478 4.258 1.00 0.00 H new ATOM 542 N ILE A 39 -14.857 11.674 -1.868 1.00 0.00 N ATOM 543 CA ILE A 39 -14.277 12.387 -2.997 1.00 0.00 C ATOM 544 C ILE A 39 -15.400 12.993 -3.822 1.00 0.00 C ATOM 545 O ILE A 39 -16.118 12.277 -4.516 1.00 0.00 O ATOM 546 CB ILE A 39 -13.444 11.457 -3.906 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.507 10.577 -3.075 1.00 0.00 C ATOM 548 CG2 ILE A 39 -12.650 12.276 -4.917 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.558 11.351 -2.195 1.00 0.00 C ATOM 0 H ILE A 39 -14.863 10.659 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.613 13.156 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.130 10.805 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.106 9.914 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.928 9.944 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.068 11.607 -5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.336 12.855 -5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.978 12.952 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.929 10.656 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.931 11.994 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.128 11.963 -1.496 1.00 0.00 H new ATOM 561 N ARG A 40 -15.549 14.303 -3.758 1.00 0.00 N ATOM 562 CA ARG A 40 -16.714 14.941 -4.353 1.00 0.00 C ATOM 563 C ARG A 40 -16.433 15.363 -5.787 1.00 0.00 C ATOM 564 O ARG A 40 -17.358 15.562 -6.577 1.00 0.00 O ATOM 565 CB ARG A 40 -17.155 16.156 -3.535 1.00 0.00 C ATOM 566 CG ARG A 40 -18.600 16.547 -3.795 1.00 0.00 C ATOM 567 CD ARG A 40 -18.967 17.857 -3.123 1.00 0.00 C ATOM 568 NE ARG A 40 -18.422 19.013 -3.831 1.00 0.00 N ATOM 569 CZ ARG A 40 -18.634 20.276 -3.463 1.00 0.00 C ATOM 570 NH1 ARG A 40 -19.419 20.543 -2.426 1.00 0.00 N ATOM 571 NH2 ARG A 40 -18.084 21.271 -4.147 1.00 0.00 N ATOM 0 H ARG A 40 -14.891 14.940 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.521 14.208 -4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.027 15.940 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.507 17.001 -3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.764 16.633 -4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.259 15.758 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.052 17.944 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.597 17.854 -2.098 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.846 18.843 -4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.860 19.781 -1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.581 21.510 -2.145 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.497 21.070 -4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.248 22.237 -3.863 1.00 0.00 H new ATOM 585 N LEU A 41 -15.160 15.499 -6.120 1.00 0.00 N ATOM 586 CA LEU A 41 -14.768 15.962 -7.445 1.00 0.00 C ATOM 587 C LEU A 41 -13.293 15.693 -7.698 1.00 0.00 C ATOM 588 O LEU A 41 -12.457 15.943 -6.831 1.00 0.00 O ATOM 589 CB LEU A 41 -15.037 17.465 -7.578 1.00 0.00 C ATOM 590 CG LEU A 41 -14.717 18.072 -8.946 1.00 0.00 C ATOM 591 CD1 LEU A 41 -15.716 17.600 -9.993 1.00 0.00 C ATOM 592 CD2 LEU A 41 -14.702 19.589 -8.860 1.00 0.00 C ATOM 0 H LEU A 41 -14.380 15.296 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.358 15.416 -8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.088 17.650 -7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.453 17.989 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.726 17.734 -9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.469 18.044 -10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.674 16.514 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.721 17.904 -9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.473 20.007 -9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -15.679 19.945 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -13.943 19.905 -8.145 1.00 0.00 H new ATOM 604 N VAL A 42 -12.990 15.176 -8.874 1.00 0.00 N ATOM 605 CA VAL A 42 -11.616 15.058 -9.330 1.00 0.00 C ATOM 606 C VAL A 42 -11.471 15.774 -10.671 1.00 0.00 C ATOM 607 O VAL A 42 -12.248 15.540 -11.600 1.00 0.00 O ATOM 608 CB VAL A 42 -11.156 13.580 -9.431 1.00 0.00 C ATOM 609 CG1 VAL A 42 -12.073 12.757 -10.317 1.00 0.00 C ATOM 610 CG2 VAL A 42 -9.730 13.500 -9.934 1.00 0.00 C ATOM 0 H VAL A 42 -13.683 14.828 -9.537 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.966 15.530 -8.593 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.204 13.158 -8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.713 11.729 -10.359 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.083 12.771 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.083 13.179 -11.322 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.425 12.456 -9.998 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.666 13.958 -10.921 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.071 14.029 -9.245 1.00 0.00 H new ATOM 620 N GLU A 43 -10.496 16.667 -10.759 1.00 0.00 N ATOM 621 CA GLU A 43 -10.355 17.523 -11.928 1.00 0.00 C ATOM 622 C GLU A 43 -9.589 16.794 -13.032 1.00 0.00 C ATOM 623 O GLU A 43 -8.798 15.889 -12.761 1.00 0.00 O ATOM 624 CB GLU A 43 -9.651 18.827 -11.534 1.00 0.00 C ATOM 625 CG GLU A 43 -8.225 18.632 -11.064 1.00 0.00 C ATOM 626 CD GLU A 43 -7.592 19.912 -10.562 1.00 0.00 C ATOM 627 OE1 GLU A 43 -7.795 20.254 -9.378 1.00 0.00 O ATOM 628 OE2 GLU A 43 -6.887 20.582 -11.346 1.00 0.00 O ATOM 0 H GLU A 43 -9.792 16.818 -10.036 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.344 17.769 -12.315 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.653 19.503 -12.389 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.222 19.313 -10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.208 17.887 -10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.628 18.235 -11.885 1.00 0.00 H new ATOM 635 N PRO A 44 -9.823 17.188 -14.297 1.00 0.00 N ATOM 636 CA PRO A 44 -9.259 16.505 -15.472 1.00 0.00 C ATOM 637 C PRO A 44 -7.741 16.599 -15.527 1.00 0.00 C ATOM 638 O PRO A 44 -7.084 15.814 -16.212 1.00 0.00 O ATOM 639 CB PRO A 44 -9.876 17.251 -16.658 1.00 0.00 C ATOM 640 CG PRO A 44 -10.268 18.581 -16.115 1.00 0.00 C ATOM 641 CD PRO A 44 -10.651 18.344 -14.683 1.00 0.00 C ATOM 0 HA PRO A 44 -9.481 15.438 -15.459 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.162 17.353 -17.475 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.739 16.717 -17.055 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.444 19.291 -16.187 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.101 19.002 -16.678 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.441 19.214 -14.061 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.715 18.129 -14.582 1.00 0.00 H new ATOM 649 N GLY A 45 -7.190 17.569 -14.816 1.00 0.00 N ATOM 650 CA GLY A 45 -5.756 17.703 -14.735 1.00 0.00 C ATOM 651 C GLY A 45 -5.245 17.449 -13.333 1.00 0.00 C ATOM 652 O GLY A 45 -4.674 18.338 -12.704 1.00 0.00 O ATOM 0 H GLY A 45 -7.715 18.268 -14.292 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.286 17.003 -15.425 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.466 18.705 -15.051 1.00 0.00 H new ATOM 656 N SER A 46 -5.471 16.248 -12.828 1.00 0.00 N ATOM 657 CA SER A 46 -5.006 15.889 -11.503 1.00 0.00 C ATOM 658 C SER A 46 -4.374 14.505 -11.507 1.00 0.00 C ATOM 659 O SER A 46 -4.808 13.614 -12.243 1.00 0.00 O ATOM 660 CB SER A 46 -6.177 15.911 -10.525 1.00 0.00 C ATOM 661 OG SER A 46 -7.166 14.966 -10.892 1.00 0.00 O ATOM 0 H SER A 46 -5.973 15.507 -13.317 1.00 0.00 H new ATOM 0 HA SER A 46 -4.253 16.614 -11.194 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.818 15.694 -9.519 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.615 16.909 -10.500 1.00 0.00 H new ATOM 0 HG SER A 46 -7.755 15.356 -11.571 1.00 0.00 H new ATOM 667 N PRO A 47 -3.317 14.312 -10.704 1.00 0.00 N ATOM 668 CA PRO A 47 -2.746 12.987 -10.456 1.00 0.00 C ATOM 669 C PRO A 47 -3.738 12.069 -9.741 1.00 0.00 C ATOM 670 O PRO A 47 -3.524 10.863 -9.658 1.00 0.00 O ATOM 671 CB PRO A 47 -1.528 13.262 -9.567 1.00 0.00 C ATOM 672 CG PRO A 47 -1.767 14.611 -8.983 1.00 0.00 C ATOM 673 CD PRO A 47 -2.568 15.373 -10.002 1.00 0.00 C ATOM 0 HA PRO A 47 -2.488 12.476 -11.383 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.431 12.507 -8.787 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.605 13.242 -10.146 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.308 14.537 -8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.825 15.116 -8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.237 16.094 -9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.926 15.931 -10.684 1.00 0.00 H new ATOM 681 N ALA A 48 -4.815 12.656 -9.220 1.00 0.00 N ATOM 682 CA ALA A 48 -5.839 11.903 -8.501 1.00 0.00 C ATOM 683 C ALA A 48 -6.484 10.848 -9.392 1.00 0.00 C ATOM 684 O ALA A 48 -6.537 9.674 -9.027 1.00 0.00 O ATOM 685 CB ALA A 48 -6.903 12.846 -7.958 1.00 0.00 C ATOM 0 H ALA A 48 -5.000 13.657 -9.284 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.353 11.392 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.660 12.272 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.442 13.561 -7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.370 13.382 -8.784 1.00 0.00 H new ATOM 691 N GLU A 49 -6.947 11.255 -10.572 1.00 0.00 N ATOM 692 CA GLU A 49 -7.584 10.317 -11.491 1.00 0.00 C ATOM 693 C GLU A 49 -6.569 9.303 -12.004 1.00 0.00 C ATOM 694 O GLU A 49 -6.904 8.152 -12.270 1.00 0.00 O ATOM 695 CB GLU A 49 -8.240 11.042 -12.670 1.00 0.00 C ATOM 696 CG GLU A 49 -7.304 11.963 -13.438 1.00 0.00 C ATOM 697 CD GLU A 49 -7.681 12.098 -14.900 1.00 0.00 C ATOM 698 OE1 GLU A 49 -8.816 12.530 -15.198 1.00 0.00 O ATOM 699 OE2 GLU A 49 -6.836 11.778 -15.762 1.00 0.00 O ATOM 0 H GLU A 49 -6.894 12.216 -10.911 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.365 9.795 -10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.645 10.300 -13.358 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.082 11.626 -12.299 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.310 12.949 -12.973 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.285 11.582 -13.364 1.00 0.00 H new ATOM 706 N LYS A 50 -5.325 9.739 -12.120 1.00 0.00 N ATOM 707 CA LYS A 50 -4.246 8.880 -12.587 1.00 0.00 C ATOM 708 C LYS A 50 -3.897 7.836 -11.533 1.00 0.00 C ATOM 709 O LYS A 50 -3.429 6.744 -11.850 1.00 0.00 O ATOM 710 CB LYS A 50 -3.017 9.724 -12.908 1.00 0.00 C ATOM 711 CG LYS A 50 -3.253 10.746 -14.009 1.00 0.00 C ATOM 712 CD LYS A 50 -2.051 11.658 -14.194 1.00 0.00 C ATOM 713 CE LYS A 50 -0.784 10.865 -14.471 1.00 0.00 C ATOM 714 NZ LYS A 50 0.385 11.755 -14.686 1.00 0.00 N ATOM 0 H LYS A 50 -5.035 10.691 -11.895 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.576 8.365 -13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.696 10.243 -12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.201 9.065 -13.204 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.466 10.230 -14.945 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.131 11.345 -13.768 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.239 12.345 -15.019 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.913 12.265 -13.299 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.583 10.196 -13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.932 10.239 -15.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.231 11.179 -14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.203 12.376 -15.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.541 12.334 -13.837 1.00 0.00 H new ATOM 728 N ALA A 51 -4.116 8.196 -10.275 1.00 0.00 N ATOM 729 CA ALA A 51 -3.870 7.296 -9.156 1.00 0.00 C ATOM 730 C ALA A 51 -4.932 6.204 -9.089 1.00 0.00 C ATOM 731 O ALA A 51 -4.701 5.133 -8.523 1.00 0.00 O ATOM 732 CB ALA A 51 -3.837 8.079 -7.852 1.00 0.00 C ATOM 0 H ALA A 51 -4.467 9.114 -10.003 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.902 6.819 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.653 7.397 -7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.041 8.823 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.794 8.580 -7.704 1.00 0.00 H new ATOM 738 N GLY A 52 -6.090 6.483 -9.671 1.00 0.00 N ATOM 739 CA GLY A 52 -7.190 5.539 -9.632 1.00 0.00 C ATOM 740 C GLY A 52 -8.306 6.010 -8.723 1.00 0.00 C ATOM 741 O GLY A 52 -9.360 5.386 -8.650 1.00 0.00 O ATOM 0 H GLY A 52 -6.288 7.349 -10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.579 5.393 -10.640 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.826 4.571 -9.288 1.00 0.00 H new ATOM 745 N LEU A 53 -8.051 7.105 -8.020 1.00 0.00 N ATOM 746 CA LEU A 53 -9.040 7.723 -7.151 1.00 0.00 C ATOM 747 C LEU A 53 -10.252 8.180 -7.958 1.00 0.00 C ATOM 748 O LEU A 53 -10.114 8.934 -8.925 1.00 0.00 O ATOM 749 CB LEU A 53 -8.412 8.918 -6.443 1.00 0.00 C ATOM 750 CG LEU A 53 -9.286 9.579 -5.388 1.00 0.00 C ATOM 751 CD1 LEU A 53 -9.292 8.767 -4.107 1.00 0.00 C ATOM 752 CD2 LEU A 53 -8.805 10.985 -5.131 1.00 0.00 C ATOM 0 H LEU A 53 -7.153 7.589 -8.037 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.371 6.991 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.484 8.594 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.146 9.665 -7.191 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.310 9.622 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.923 9.259 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.681 7.769 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.276 8.688 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.435 11.453 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.774 10.958 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.858 11.562 -6.054 1.00 0.00 H new ATOM 764 N LEU A 54 -11.432 7.731 -7.562 1.00 0.00 N ATOM 765 CA LEU A 54 -12.648 8.050 -8.290 1.00 0.00 C ATOM 766 C LEU A 54 -13.521 9.020 -7.507 1.00 0.00 C ATOM 767 O LEU A 54 -13.429 9.119 -6.280 1.00 0.00 O ATOM 768 CB LEU A 54 -13.429 6.768 -8.587 1.00 0.00 C ATOM 769 CG LEU A 54 -12.705 5.759 -9.477 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.512 4.478 -9.596 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.442 6.353 -10.852 1.00 0.00 C ATOM 0 H LEU A 54 -11.573 7.144 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.366 8.529 -9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.676 6.284 -7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.372 7.038 -9.063 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.746 5.520 -9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.981 3.771 -10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.650 4.042 -8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.485 4.700 -10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.926 5.620 -11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.389 6.621 -11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.822 7.244 -10.751 1.00 0.00 H new ATOM 783 N ALA A 55 -14.366 9.743 -8.226 1.00 0.00 N ATOM 784 CA ALA A 55 -15.304 10.662 -7.608 1.00 0.00 C ATOM 785 C ALA A 55 -16.461 9.884 -7.004 1.00 0.00 C ATOM 786 O ALA A 55 -17.354 9.419 -7.719 1.00 0.00 O ATOM 787 CB ALA A 55 -15.811 11.674 -8.623 1.00 0.00 C ATOM 0 H ALA A 55 -14.420 9.709 -9.244 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.793 11.208 -6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.513 12.354 -8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.971 12.243 -9.021 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.314 11.152 -9.437 1.00 0.00 H new ATOM 793 N GLY A 56 -16.438 9.743 -5.692 1.00 0.00 N ATOM 794 CA GLY A 56 -17.426 8.937 -5.009 1.00 0.00 C ATOM 795 C GLY A 56 -16.780 7.878 -4.144 1.00 0.00 C ATOM 796 O GLY A 56 -17.465 7.143 -3.429 1.00 0.00 O ATOM 0 H GLY A 56 -15.746 10.176 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.055 9.578 -4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.078 8.461 -5.742 1.00 0.00 H new ATOM 800 N ASP A 57 -15.452 7.802 -4.219 1.00 0.00 N ATOM 801 CA ASP A 57 -14.687 6.859 -3.417 1.00 0.00 C ATOM 802 C ASP A 57 -14.727 7.245 -1.950 1.00 0.00 C ATOM 803 O ASP A 57 -14.702 8.432 -1.604 1.00 0.00 O ATOM 804 CB ASP A 57 -13.229 6.800 -3.880 1.00 0.00 C ATOM 805 CG ASP A 57 -12.920 5.563 -4.698 1.00 0.00 C ATOM 806 OD1 ASP A 57 -13.174 4.442 -4.204 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.393 5.708 -5.820 1.00 0.00 O ATOM 0 H ASP A 57 -14.884 8.387 -4.832 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.142 5.877 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.005 7.687 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.575 6.826 -3.008 1.00 0.00 H new ATOM 812 N ARG A 58 -14.795 6.243 -1.095 1.00 0.00 N ATOM 813 CA ARG A 58 -14.769 6.461 0.339 1.00 0.00 C ATOM 814 C ARG A 58 -13.351 6.320 0.858 1.00 0.00 C ATOM 815 O ARG A 58 -12.750 5.248 0.764 1.00 0.00 O ATOM 816 CB ARG A 58 -15.681 5.461 1.050 1.00 0.00 C ATOM 817 CG ARG A 58 -17.144 5.590 0.669 1.00 0.00 C ATOM 818 CD ARG A 58 -17.960 4.428 1.204 1.00 0.00 C ATOM 819 NE ARG A 58 -17.841 4.277 2.655 1.00 0.00 N ATOM 820 CZ ARG A 58 -17.549 3.125 3.260 1.00 0.00 C ATOM 821 NH1 ARG A 58 -17.272 2.049 2.536 1.00 0.00 N ATOM 822 NH2 ARG A 58 -17.512 3.057 4.585 1.00 0.00 N ATOM 0 H ARG A 58 -14.869 5.264 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.129 7.469 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.344 4.450 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.582 5.595 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.542 6.526 1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.237 5.632 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -19.008 4.574 0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.636 3.507 0.719 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.990 5.101 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.282 2.103 1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.048 1.167 2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.707 3.888 5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.288 2.174 5.044 1.00 0.00 H new ATOM 836 N LEU A 59 -12.818 7.405 1.394 1.00 0.00 N ATOM 837 CA LEU A 59 -11.471 7.400 1.933 1.00 0.00 C ATOM 838 C LEU A 59 -11.470 6.759 3.314 1.00 0.00 C ATOM 839 O LEU A 59 -11.823 7.394 4.305 1.00 0.00 O ATOM 840 CB LEU A 59 -10.926 8.830 1.997 1.00 0.00 C ATOM 841 CG LEU A 59 -9.466 8.958 2.435 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.555 8.184 1.495 1.00 0.00 C ATOM 843 CD2 LEU A 59 -9.060 10.423 2.476 1.00 0.00 C ATOM 0 H LEU A 59 -13.299 8.301 1.467 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.823 6.816 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.033 9.286 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.545 9.406 2.684 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.365 8.536 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.521 8.287 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.835 7.130 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.656 8.578 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.019 10.503 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.176 10.861 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.694 10.957 3.184 1.00 0.00 H new ATOM 855 N VAL A 60 -11.083 5.492 3.367 1.00 0.00 N ATOM 856 CA VAL A 60 -11.126 4.730 4.608 1.00 0.00 C ATOM 857 C VAL A 60 -9.814 4.825 5.375 1.00 0.00 C ATOM 858 O VAL A 60 -9.800 4.877 6.608 1.00 0.00 O ATOM 859 CB VAL A 60 -11.465 3.245 4.350 1.00 0.00 C ATOM 860 CG1 VAL A 60 -12.929 3.092 3.962 1.00 0.00 C ATOM 861 CG2 VAL A 60 -10.571 2.654 3.267 1.00 0.00 C ATOM 0 H VAL A 60 -10.735 4.969 2.563 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.917 5.172 5.214 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.285 2.697 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -13.150 2.040 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.560 3.464 4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.126 3.663 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.834 1.608 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.710 3.208 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.529 2.723 3.578 1.00 0.00 H new ATOM 871 N GLU A 61 -8.712 4.865 4.644 1.00 0.00 N ATOM 872 CA GLU A 61 -7.398 4.904 5.261 1.00 0.00 C ATOM 873 C GLU A 61 -6.518 5.935 4.569 1.00 0.00 C ATOM 874 O GLU A 61 -6.668 6.188 3.372 1.00 0.00 O ATOM 875 CB GLU A 61 -6.721 3.537 5.149 1.00 0.00 C ATOM 876 CG GLU A 61 -7.522 2.368 5.698 1.00 0.00 C ATOM 877 CD GLU A 61 -7.394 2.223 7.196 1.00 0.00 C ATOM 878 OE1 GLU A 61 -6.252 2.209 7.693 1.00 0.00 O ATOM 879 OE2 GLU A 61 -8.431 2.110 7.879 1.00 0.00 O ATOM 0 H GLU A 61 -8.702 4.871 3.624 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.526 5.172 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.501 3.344 4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.766 3.579 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.573 2.500 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.188 1.448 5.219 1.00 0.00 H new ATOM 886 N VAL A 62 -5.586 6.506 5.315 1.00 0.00 N ATOM 887 CA VAL A 62 -4.585 7.399 4.748 1.00 0.00 C ATOM 888 C VAL A 62 -3.204 6.947 5.185 1.00 0.00 C ATOM 889 O VAL A 62 -2.880 6.984 6.368 1.00 0.00 O ATOM 890 CB VAL A 62 -4.801 8.872 5.169 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.666 9.752 4.659 1.00 0.00 C ATOM 892 CG2 VAL A 62 -6.135 9.392 4.653 1.00 0.00 C ATOM 0 H VAL A 62 -5.501 6.366 6.322 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.680 7.352 3.663 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.810 8.910 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.839 10.783 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.720 9.403 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.626 9.700 3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.265 10.429 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.153 9.332 3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.944 8.788 5.063 1.00 0.00 H new ATOM 902 N ASN A 63 -2.412 6.479 4.226 1.00 0.00 N ATOM 903 CA ASN A 63 -1.054 6.003 4.491 1.00 0.00 C ATOM 904 C ASN A 63 -1.041 4.857 5.503 1.00 0.00 C ATOM 905 O ASN A 63 -0.046 4.636 6.194 1.00 0.00 O ATOM 906 CB ASN A 63 -0.154 7.152 4.966 1.00 0.00 C ATOM 907 CG ASN A 63 0.185 8.122 3.849 1.00 0.00 C ATOM 908 OD1 ASN A 63 0.267 7.738 2.681 1.00 0.00 O ATOM 909 ND2 ASN A 63 0.388 9.384 4.191 1.00 0.00 N ATOM 0 H ASN A 63 -2.689 6.418 3.246 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.658 5.617 3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.652 7.690 5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.767 6.741 5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.621 10.075 3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.312 9.666 5.168 1.00 0.00 H new ATOM 916 N GLY A 64 -2.154 4.136 5.594 1.00 0.00 N ATOM 917 CA GLY A 64 -2.198 2.940 6.416 1.00 0.00 C ATOM 918 C GLY A 64 -2.836 3.150 7.778 1.00 0.00 C ATOM 919 O GLY A 64 -2.869 2.230 8.594 1.00 0.00 O ATOM 0 H GLY A 64 -3.026 4.358 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.750 2.165 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.182 2.570 6.555 1.00 0.00 H new ATOM 923 N GLU A 65 -3.320 4.352 8.055 1.00 0.00 N ATOM 924 CA GLU A 65 -4.004 4.596 9.317 1.00 0.00 C ATOM 925 C GLU A 65 -5.475 4.930 9.089 1.00 0.00 C ATOM 926 O GLU A 65 -5.831 5.648 8.149 1.00 0.00 O ATOM 927 CB GLU A 65 -3.295 5.688 10.126 1.00 0.00 C ATOM 928 CG GLU A 65 -3.121 7.009 9.401 1.00 0.00 C ATOM 929 CD GLU A 65 -2.157 7.927 10.121 1.00 0.00 C ATOM 930 OE1 GLU A 65 -0.932 7.731 9.982 1.00 0.00 O ATOM 931 OE2 GLU A 65 -2.615 8.837 10.845 1.00 0.00 O ATOM 0 H GLU A 65 -3.254 5.160 7.436 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.966 3.678 9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.858 5.865 11.042 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.312 5.320 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.758 6.823 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.089 7.501 9.307 1.00 0.00 H new ATOM 938 N ASN A 66 -6.310 4.374 9.959 1.00 0.00 N ATOM 939 CA ASN A 66 -7.764 4.456 9.840 1.00 0.00 C ATOM 940 C ASN A 66 -8.255 5.892 9.975 1.00 0.00 C ATOM 941 O ASN A 66 -8.076 6.518 11.022 1.00 0.00 O ATOM 942 CB ASN A 66 -8.408 3.593 10.932 1.00 0.00 C ATOM 943 CG ASN A 66 -9.893 3.373 10.722 1.00 0.00 C ATOM 944 OD1 ASN A 66 -10.670 3.365 11.675 1.00 0.00 O ATOM 945 ND2 ASN A 66 -10.288 3.129 9.487 1.00 0.00 N ATOM 0 H ASN A 66 -5.996 3.848 10.775 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.047 4.093 8.852 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.905 2.626 10.966 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.251 4.068 11.901 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.269 2.924 9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.612 3.145 8.723 1.00 0.00 H new ATOM 952 N VAL A 67 -8.882 6.410 8.925 1.00 0.00 N ATOM 953 CA VAL A 67 -9.378 7.786 8.951 1.00 0.00 C ATOM 954 C VAL A 67 -10.901 7.854 8.849 1.00 0.00 C ATOM 955 O VAL A 67 -11.473 8.941 8.817 1.00 0.00 O ATOM 956 CB VAL A 67 -8.754 8.638 7.830 1.00 0.00 C ATOM 957 CG1 VAL A 67 -7.243 8.648 7.958 1.00 0.00 C ATOM 958 CG2 VAL A 67 -9.175 8.138 6.457 1.00 0.00 C ATOM 0 H VAL A 67 -9.059 5.908 8.055 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.078 8.193 9.916 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.121 9.659 7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.814 9.254 7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.962 9.069 8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.865 7.628 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.718 8.760 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.849 7.106 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.260 8.189 6.368 1.00 0.00 H new ATOM 968 N GLU A 68 -11.548 6.693 8.828 1.00 0.00 N ATOM 969 CA GLU A 68 -13.007 6.622 8.709 1.00 0.00 C ATOM 970 C GLU A 68 -13.706 7.394 9.825 1.00 0.00 C ATOM 971 O GLU A 68 -14.720 8.048 9.599 1.00 0.00 O ATOM 972 CB GLU A 68 -13.477 5.170 8.756 1.00 0.00 C ATOM 973 CG GLU A 68 -12.893 4.285 7.674 1.00 0.00 C ATOM 974 CD GLU A 68 -13.248 2.832 7.885 1.00 0.00 C ATOM 975 OE1 GLU A 68 -12.676 2.210 8.802 1.00 0.00 O ATOM 976 OE2 GLU A 68 -14.098 2.303 7.144 1.00 0.00 O ATOM 0 H GLU A 68 -11.087 5.785 8.892 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.268 7.073 7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.221 4.750 9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.564 5.150 8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.260 4.611 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.809 4.396 7.660 1.00 0.00 H new ATOM 983 N LYS A 69 -13.157 7.317 11.030 1.00 0.00 N ATOM 984 CA LYS A 69 -13.828 7.863 12.207 1.00 0.00 C ATOM 985 C LYS A 69 -13.216 9.195 12.610 1.00 0.00 C ATOM 986 O LYS A 69 -13.446 9.696 13.712 1.00 0.00 O ATOM 987 CB LYS A 69 -13.758 6.874 13.380 1.00 0.00 C ATOM 988 CG LYS A 69 -14.409 5.523 13.101 1.00 0.00 C ATOM 989 CD LYS A 69 -13.490 4.596 12.316 1.00 0.00 C ATOM 990 CE LYS A 69 -14.023 3.170 12.258 1.00 0.00 C ATOM 991 NZ LYS A 69 -15.307 3.058 11.510 1.00 0.00 N ATOM 0 H LYS A 69 -12.253 6.884 11.220 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.875 8.026 11.950 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.712 6.713 13.643 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.239 7.324 14.249 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.680 5.050 14.045 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.333 5.675 12.543 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.371 4.979 11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.501 4.594 12.775 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.278 2.528 11.788 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.167 2.800 13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.620 2.066 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.030 3.647 11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.168 3.383 10.532 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.429 9.756 11.717 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.801 11.044 11.953 1.00 0.00 C ATOM 1007 C GLU A 70 -12.682 12.159 11.419 1.00 0.00 C ATOM 1008 O GLU A 70 -13.519 11.928 10.553 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.441 11.087 11.269 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.529 9.956 11.687 1.00 0.00 C ATOM 1011 CD GLU A 70 -9.196 10.004 13.159 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -8.369 10.851 13.560 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -9.753 9.195 13.922 1.00 0.00 O ATOM 0 H GLU A 70 -12.206 9.339 10.813 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.668 11.182 13.026 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.583 11.050 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.958 12.038 11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.005 9.003 11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.608 10.001 11.106 1.00 0.00 H new ATOM 1020 N THR A 71 -12.501 13.364 11.936 1.00 0.00 N ATOM 1021 CA THR A 71 -13.241 14.508 11.433 1.00 0.00 C ATOM 1022 C THR A 71 -12.751 14.862 10.036 1.00 0.00 C ATOM 1023 O THR A 71 -11.675 14.417 9.622 1.00 0.00 O ATOM 1024 CB THR A 71 -13.084 15.747 12.338 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.742 16.237 12.259 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.413 15.417 13.786 1.00 0.00 C ATOM 0 H THR A 71 -11.854 13.573 12.696 1.00 0.00 H new ATOM 0 HA THR A 71 -14.294 14.228 11.416 1.00 0.00 H new ATOM 0 HB THR A 71 -13.781 16.509 11.989 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.686 17.109 12.702 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.293 16.310 14.399 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.443 15.066 13.854 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.739 14.638 14.144 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.516 15.665 9.316 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.111 16.100 7.987 1.00 0.00 C ATOM 1036 C HIS A 72 -11.738 16.765 8.046 1.00 0.00 C ATOM 1037 O HIS A 72 -10.855 16.461 7.242 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.149 17.072 7.411 1.00 0.00 C ATOM 1039 CG HIS A 72 -13.721 17.749 6.141 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -13.879 17.184 4.895 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -13.136 18.954 5.932 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -13.408 18.009 3.979 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -12.953 19.088 4.581 1.00 0.00 N ATOM 0 H HIS A 72 -14.417 16.028 9.626 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.048 15.229 7.335 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.075 16.528 7.225 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.371 17.834 8.158 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.295 16.271 4.709 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.865 19.674 6.690 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.398 17.829 2.914 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.562 17.651 9.016 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.317 18.387 9.163 1.00 0.00 C ATOM 1054 C GLN A 73 -9.159 17.449 9.498 1.00 0.00 C ATOM 1055 O GLN A 73 -8.060 17.604 8.966 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.463 19.463 10.239 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.256 20.380 10.360 1.00 0.00 C ATOM 1058 CD GLN A 73 -8.943 21.122 9.070 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -9.467 22.209 8.820 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -8.072 20.551 8.253 1.00 0.00 N ATOM 0 H GLN A 73 -12.270 17.877 9.715 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.093 18.869 8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.344 20.066 10.019 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.638 18.980 11.200 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.435 21.104 11.155 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.387 19.791 10.654 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.660 19.650 8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.813 21.012 7.381 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.406 16.469 10.363 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.364 15.525 10.758 1.00 0.00 C ATOM 1071 C GLN A 74 -7.870 14.715 9.564 1.00 0.00 C ATOM 1072 O GLN A 74 -6.668 14.518 9.394 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.855 14.579 11.857 1.00 0.00 C ATOM 1074 CG GLN A 74 -9.067 15.252 13.204 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.853 16.033 13.659 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.945 15.482 14.275 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.842 17.328 13.388 1.00 0.00 N ATOM 0 H GLN A 74 -10.313 16.308 10.802 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.534 16.113 11.150 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.793 14.124 11.538 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.133 13.771 11.976 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.924 15.923 13.141 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.309 14.495 13.950 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.616 17.748 12.873 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.059 17.906 13.694 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.800 14.255 8.737 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.453 13.459 7.565 1.00 0.00 C ATOM 1088 C VAL A 75 -7.634 14.275 6.569 1.00 0.00 C ATOM 1089 O VAL A 75 -6.579 13.835 6.108 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.710 12.904 6.864 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.327 12.057 5.662 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.547 12.094 7.840 1.00 0.00 C ATOM 0 H VAL A 75 -9.800 14.419 8.855 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.853 12.621 7.918 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.305 13.746 6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.229 11.676 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.768 12.666 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.709 11.221 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.430 11.709 7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.957 11.261 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.855 12.730 8.670 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.112 15.477 6.260 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.435 16.351 5.306 1.00 0.00 C ATOM 1104 C VAL A 76 -6.027 16.701 5.795 1.00 0.00 C ATOM 1105 O VAL A 76 -5.090 16.782 5.003 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.244 17.645 5.045 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.541 18.540 4.035 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.643 17.310 4.556 1.00 0.00 C ATOM 0 H VAL A 76 -8.966 15.869 6.657 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.357 15.806 4.365 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.318 18.186 5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.133 19.441 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.558 18.816 4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.428 18.005 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.197 18.232 4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.578 16.741 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.160 16.716 5.310 1.00 0.00 H new ATOM 1118 N SER A 77 -5.882 16.881 7.106 1.00 0.00 N ATOM 1119 CA SER A 77 -4.582 17.179 7.700 1.00 0.00 C ATOM 1120 C SER A 77 -3.580 16.054 7.431 1.00 0.00 C ATOM 1121 O SER A 77 -2.404 16.308 7.166 1.00 0.00 O ATOM 1122 CB SER A 77 -4.725 17.405 9.207 1.00 0.00 C ATOM 1123 OG SER A 77 -5.625 18.467 9.475 1.00 0.00 O ATOM 0 H SER A 77 -6.649 16.826 7.776 1.00 0.00 H new ATOM 0 HA SER A 77 -4.203 18.090 7.237 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.081 16.492 9.684 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.750 17.631 9.639 1.00 0.00 H new ATOM 0 HG SER A 77 -6.510 18.101 9.684 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.053 14.815 7.497 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.214 13.659 7.213 1.00 0.00 C ATOM 1131 C ARG A 78 -2.769 13.646 5.757 1.00 0.00 C ATOM 1132 O ARG A 78 -1.620 13.337 5.455 1.00 0.00 O ATOM 1133 CB ARG A 78 -3.964 12.375 7.541 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.218 12.198 9.023 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.933 10.891 9.307 1.00 0.00 C ATOM 1136 NE ARG A 78 -4.715 10.425 10.673 1.00 0.00 N ATOM 1137 CZ ARG A 78 -5.554 10.632 11.685 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -6.645 11.368 11.513 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.285 10.119 12.877 1.00 0.00 N ATOM 0 H ARG A 78 -5.015 14.586 7.745 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.324 13.725 7.839 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.917 12.373 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.393 11.523 7.172 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.271 12.221 9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.816 13.030 9.394 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.002 11.020 9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.587 10.131 8.607 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.859 9.904 10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.844 11.779 10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.284 11.523 12.293 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.438 9.568 13.016 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.925 10.275 13.656 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.684 13.996 4.861 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.382 14.029 3.434 1.00 0.00 C ATOM 1155 C ILE A 79 -2.363 15.130 3.132 1.00 0.00 C ATOM 1156 O ILE A 79 -1.529 14.998 2.233 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.656 14.264 2.592 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.772 13.318 3.039 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.359 14.056 1.113 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.097 13.572 2.351 1.00 0.00 C ATOM 0 H ILE A 79 -4.640 14.261 5.096 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.964 13.059 3.165 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.985 15.292 2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.464 12.290 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.908 13.414 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.266 14.225 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.588 14.758 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.010 13.036 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.839 12.864 2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.429 14.588 2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.978 13.447 1.275 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.438 16.216 3.899 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.502 17.331 3.768 1.00 0.00 C ATOM 1174 C ARG A 80 -0.115 16.963 4.286 1.00 0.00 C ATOM 1175 O ARG A 80 0.883 17.545 3.868 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.004 18.562 4.526 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.248 19.194 3.931 1.00 0.00 C ATOM 1178 CD ARG A 80 -3.649 20.447 4.694 1.00 0.00 C ATOM 1179 NE ARG A 80 -2.599 21.470 4.666 1.00 0.00 N ATOM 1180 CZ ARG A 80 -2.828 22.778 4.796 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -4.058 23.221 5.019 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -1.819 23.639 4.723 1.00 0.00 N ATOM 0 H ARG A 80 -3.144 16.348 4.624 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.434 17.561 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.212 18.280 5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.209 19.307 4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.067 19.444 2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.068 18.476 3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.564 20.855 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.872 20.185 5.728 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.635 21.163 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.832 22.561 5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.230 24.222 5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.870 23.300 4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.994 24.639 4.822 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.063 15.998 5.200 1.00 0.00 N ATOM 1197 CA ALA A 81 1.186 15.614 5.853 1.00 0.00 C ATOM 1198 C ALA A 81 2.141 14.926 4.882 1.00 0.00 C ATOM 1199 O ALA A 81 3.316 14.716 5.193 1.00 0.00 O ATOM 1200 CB ALA A 81 0.897 14.711 7.041 1.00 0.00 C ATOM 0 H ALA A 81 -0.876 15.465 5.507 1.00 0.00 H new ATOM 0 HA ALA A 81 1.674 16.524 6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.834 14.430 7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.268 15.241 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.381 13.814 6.699 1.00 0.00 H new ATOM 1206 N ALA A 82 1.630 14.566 3.715 1.00 0.00 N ATOM 1207 CA ALA A 82 2.447 13.960 2.679 1.00 0.00 C ATOM 1208 C ALA A 82 3.234 15.028 1.928 1.00 0.00 C ATOM 1209 O ALA A 82 2.656 15.874 1.242 1.00 0.00 O ATOM 1210 CB ALA A 82 1.578 13.168 1.720 1.00 0.00 C ATOM 0 H ALA A 82 0.649 14.684 3.462 1.00 0.00 H new ATOM 0 HA ALA A 82 3.155 13.278 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.203 12.719 0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.056 12.383 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.850 13.833 1.255 1.00 0.00 H new ATOM 1216 N LEU A 83 4.553 14.986 2.075 1.00 0.00 N ATOM 1217 CA LEU A 83 5.434 15.967 1.456 1.00 0.00 C ATOM 1218 C LEU A 83 5.381 15.886 -0.067 1.00 0.00 C ATOM 1219 O LEU A 83 5.458 16.909 -0.751 1.00 0.00 O ATOM 1220 CB LEU A 83 6.880 15.777 1.931 1.00 0.00 C ATOM 1221 CG LEU A 83 7.172 16.184 3.381 1.00 0.00 C ATOM 1222 CD1 LEU A 83 6.716 17.608 3.644 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.536 15.221 4.370 1.00 0.00 C ATOM 0 H LEU A 83 5.039 14.276 2.623 1.00 0.00 H new ATOM 0 HA LEU A 83 5.083 16.953 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.146 14.727 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.535 16.350 1.275 1.00 0.00 H new ATOM 0 HG LEU A 83 8.251 16.138 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.933 17.874 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.244 18.288 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.643 17.685 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.764 15.541 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.456 15.212 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.932 14.218 4.208 1.00 0.00 H new ATOM 1235 N ASN A 84 5.258 14.680 -0.598 1.00 0.00 N ATOM 1236 CA ASN A 84 5.202 14.502 -2.043 1.00 0.00 C ATOM 1237 C ASN A 84 4.071 13.571 -2.437 1.00 0.00 C ATOM 1238 O ASN A 84 3.157 13.964 -3.158 1.00 0.00 O ATOM 1239 CB ASN A 84 6.530 13.959 -2.582 1.00 0.00 C ATOM 1240 CG ASN A 84 6.516 13.781 -4.092 1.00 0.00 C ATOM 1241 OD1 ASN A 84 6.784 14.721 -4.839 1.00 0.00 O ATOM 1242 ND2 ASN A 84 6.227 12.572 -4.554 1.00 0.00 N ATOM 0 H ASN A 84 5.195 13.817 -0.058 1.00 0.00 H new ATOM 0 HA ASN A 84 5.017 15.482 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.336 14.640 -2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.746 13.001 -2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.222 12.398 -5.559 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.010 11.816 -3.904 1.00 0.00 H new ATOM 1249 N ALA A 85 4.133 12.339 -1.958 1.00 0.00 N ATOM 1250 CA ALA A 85 3.157 11.332 -2.334 1.00 0.00 C ATOM 1251 C ALA A 85 2.394 10.828 -1.120 1.00 0.00 C ATOM 1252 O ALA A 85 2.965 10.647 -0.044 1.00 0.00 O ATOM 1253 CB ALA A 85 3.842 10.175 -3.044 1.00 0.00 C ATOM 0 H ALA A 85 4.849 12.013 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 85 2.441 11.792 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.099 9.427 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.339 10.542 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.580 9.725 -2.379 1.00 0.00 H new ATOM 1259 N VAL A 86 1.105 10.603 -1.302 1.00 0.00 N ATOM 1260 CA VAL A 86 0.255 10.089 -0.242 1.00 0.00 C ATOM 1261 C VAL A 86 -0.512 8.873 -0.745 1.00 0.00 C ATOM 1262 O VAL A 86 -1.005 8.862 -1.874 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.733 11.168 0.271 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.655 11.654 -0.840 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.538 10.648 1.454 1.00 0.00 C ATOM 0 H VAL A 86 0.620 10.770 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 86 0.892 9.801 0.594 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.143 12.021 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.334 12.410 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.059 12.086 -1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.232 10.814 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.224 11.423 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.106 9.769 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.861 10.379 2.265 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.587 7.840 0.076 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.312 6.641 -0.296 1.00 0.00 C ATOM 1277 C ARG A 87 -2.718 6.689 0.279 1.00 0.00 C ATOM 1278 O ARG A 87 -2.912 6.557 1.488 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.573 5.399 0.206 1.00 0.00 C ATOM 1280 CG ARG A 87 0.844 5.280 -0.332 1.00 0.00 C ATOM 1281 CD ARG A 87 1.546 4.045 0.205 1.00 0.00 C ATOM 1282 NE ARG A 87 2.942 3.993 -0.223 1.00 0.00 N ATOM 1283 CZ ARG A 87 3.890 3.293 0.399 1.00 0.00 C ATOM 1284 NH1 ARG A 87 3.585 2.489 1.407 1.00 0.00 N ATOM 1285 NH2 ARG A 87 5.144 3.366 -0.014 1.00 0.00 N ATOM 0 H ARG A 87 -0.156 7.808 1.000 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.377 6.588 -1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.539 5.421 1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.137 4.510 -0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.818 5.239 -1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.413 6.169 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.498 4.043 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.026 3.151 -0.139 1.00 0.00 H new ATOM 0 HE ARG A 87 3.208 4.527 -1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.616 2.401 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.319 1.958 1.876 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.386 3.958 -0.809 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.870 2.830 0.462 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.691 6.872 -0.594 1.00 0.00 N ATOM 1300 CA LEU A 88 -5.079 6.952 -0.182 1.00 0.00 C ATOM 1301 C LEU A 88 -5.773 5.633 -0.453 1.00 0.00 C ATOM 1302 O LEU A 88 -5.799 5.163 -1.591 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.810 8.078 -0.927 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.204 9.476 -0.785 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -6.106 10.504 -1.444 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -4.986 9.824 0.680 1.00 0.00 C ATOM 0 H LEU A 88 -3.544 6.968 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.105 7.169 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.845 7.824 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.841 8.112 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.235 9.485 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.666 11.496 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.215 10.267 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.085 10.488 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.555 10.822 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.941 9.800 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.306 9.100 1.129 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.310 5.019 0.585 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.054 3.792 0.408 1.00 0.00 C ATOM 1320 C LEU A 89 -8.530 4.115 0.296 1.00 0.00 C ATOM 1321 O LEU A 89 -9.117 4.714 1.203 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.821 2.822 1.558 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.358 1.416 1.304 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.562 0.731 0.204 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.323 0.596 2.573 1.00 0.00 C ATOM 0 H LEU A 89 -6.245 5.347 1.548 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.706 3.310 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.751 2.761 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.290 3.222 2.457 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.395 1.499 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.959 -0.270 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.640 1.310 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.516 0.661 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.710 -0.403 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.296 0.522 2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.938 1.077 3.334 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.125 3.716 -0.808 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.494 4.100 -1.107 1.00 0.00 C ATOM 1339 C VAL A 90 -11.311 2.914 -1.599 1.00 0.00 C ATOM 1340 O VAL A 90 -10.767 1.950 -2.145 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.547 5.244 -2.149 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -10.156 6.565 -1.505 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.640 4.951 -3.341 1.00 0.00 C ATOM 0 H VAL A 90 -8.685 3.126 -1.515 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.931 4.459 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.572 5.316 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.198 7.360 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.846 6.792 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.143 6.491 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.700 5.773 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.611 4.843 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.960 4.028 -3.824 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.615 2.983 -1.368 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.528 1.921 -1.761 1.00 0.00 C ATOM 1355 C VAL A 91 -14.912 2.499 -2.079 1.00 0.00 C ATOM 1356 O VAL A 91 -15.401 3.384 -1.371 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.627 0.853 -0.640 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.169 1.450 0.652 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.472 -0.333 -1.080 1.00 0.00 C ATOM 0 H VAL A 91 -13.067 3.772 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.140 1.442 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.616 0.494 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.225 0.674 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.506 2.246 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.164 1.858 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.522 -1.064 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.478 0.008 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.022 -0.794 -1.959 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.528 2.015 -3.156 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.892 2.413 -3.510 1.00 0.00 C ATOM 1371 C ASP A 92 -17.886 1.944 -2.454 1.00 0.00 C ATOM 1372 O ASP A 92 -17.690 0.903 -1.825 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.319 1.816 -4.858 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.629 2.434 -6.053 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -15.536 1.956 -6.421 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -17.203 3.362 -6.658 1.00 0.00 O ATOM 0 H ASP A 92 -15.105 1.346 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.893 3.501 -3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.117 0.745 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.396 1.936 -4.972 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.979 2.698 -2.253 1.00 0.00 N ATOM 1382 CA PRO A 93 -20.075 2.279 -1.372 1.00 0.00 C ATOM 1383 C PRO A 93 -20.680 0.957 -1.837 1.00 0.00 C ATOM 1384 O PRO A 93 -21.006 0.088 -1.029 1.00 0.00 O ATOM 1385 CB PRO A 93 -21.095 3.416 -1.495 1.00 0.00 C ATOM 1386 CG PRO A 93 -20.313 4.587 -1.988 1.00 0.00 C ATOM 1387 CD PRO A 93 -19.226 4.019 -2.854 1.00 0.00 C ATOM 0 HA PRO A 93 -19.747 2.111 -0.346 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.894 3.155 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -21.564 3.631 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.947 5.270 -2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.894 5.155 -1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.541 3.936 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.332 4.642 -2.840 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.797 0.816 -3.155 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.286 -0.414 -3.774 1.00 0.00 C ATOM 1397 C GLU A 94 -20.369 -1.580 -3.426 1.00 0.00 C ATOM 1398 O GLU A 94 -20.819 -2.682 -3.113 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.324 -0.234 -5.292 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.118 0.979 -5.744 1.00 0.00 C ATOM 1401 CD GLU A 94 -21.801 1.375 -7.169 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -22.464 0.872 -8.099 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -20.885 2.195 -7.369 1.00 0.00 O ATOM 0 H GLU A 94 -20.556 1.549 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.287 -0.627 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.303 -0.148 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -21.754 -1.128 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.183 0.766 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -21.905 1.817 -5.081 1.00 0.00 H new ATOM 1410 N THR A 95 -19.074 -1.311 -3.481 1.00 0.00 N ATOM 1411 CA THR A 95 -18.058 -2.306 -3.199 1.00 0.00 C ATOM 1412 C THR A 95 -18.090 -2.730 -1.729 1.00 0.00 C ATOM 1413 O THR A 95 -17.930 -3.909 -1.409 1.00 0.00 O ATOM 1414 CB THR A 95 -16.667 -1.744 -3.548 1.00 0.00 C ATOM 1415 OG1 THR A 95 -16.645 -1.315 -4.917 1.00 0.00 O ATOM 1416 CG2 THR A 95 -15.580 -2.778 -3.321 1.00 0.00 C ATOM 0 H THR A 95 -18.700 -0.394 -3.723 1.00 0.00 H new ATOM 0 HA THR A 95 -18.264 -3.184 -3.811 1.00 0.00 H new ATOM 0 HB THR A 95 -16.472 -0.896 -2.892 1.00 0.00 H new ATOM 0 HG1 THR A 95 -15.828 -0.801 -5.086 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.611 -2.349 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.578 -3.080 -2.274 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.769 -3.648 -3.949 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.331 -1.766 -0.846 1.00 0.00 N ATOM 1425 CA ASP A 96 -18.326 -2.014 0.597 1.00 0.00 C ATOM 1426 C ASP A 96 -19.362 -3.066 0.975 1.00 0.00 C ATOM 1427 O ASP A 96 -19.095 -3.949 1.792 1.00 0.00 O ATOM 1428 CB ASP A 96 -18.601 -0.715 1.360 1.00 0.00 C ATOM 1429 CG ASP A 96 -18.387 -0.852 2.858 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -19.334 -1.245 3.571 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -17.269 -0.534 3.330 1.00 0.00 O ATOM 0 H ASP A 96 -18.534 -0.800 -1.103 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.340 -2.388 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.951 0.071 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -19.627 -0.400 1.172 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.533 -2.982 0.350 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.619 -3.919 0.615 1.00 0.00 C ATOM 1438 C GLU A 97 -21.217 -5.352 0.266 1.00 0.00 C ATOM 1439 O GLU A 97 -21.581 -6.293 0.970 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.873 -3.512 -0.159 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.460 -2.184 0.299 1.00 0.00 C ATOM 1442 CD GLU A 97 -24.737 -1.824 -0.430 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.681 -2.641 -0.424 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -24.816 -0.713 -0.994 1.00 0.00 O ATOM 0 H GLU A 97 -20.754 -2.271 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.837 -3.885 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.632 -3.448 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -23.627 -4.291 -0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.659 -2.230 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -22.724 -1.395 0.145 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.446 -5.514 -0.802 1.00 0.00 N ATOM 1452 CA GLN A 98 -19.951 -6.829 -1.193 1.00 0.00 C ATOM 1453 C GLN A 98 -18.912 -7.306 -0.184 1.00 0.00 C ATOM 1454 O GLN A 98 -18.902 -8.467 0.223 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.345 -6.770 -2.599 1.00 0.00 C ATOM 1456 CG GLN A 98 -18.670 -8.060 -3.051 1.00 0.00 C ATOM 1457 CD GLN A 98 -19.618 -9.244 -3.116 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -20.251 -9.486 -4.140 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -19.708 -9.996 -2.032 1.00 0.00 N ATOM 0 H GLN A 98 -20.150 -4.753 -1.413 1.00 0.00 H new ATOM 0 HA GLN A 98 -20.781 -7.535 -1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.132 -6.518 -3.310 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -18.615 -5.962 -2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -18.227 -7.904 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.854 -8.294 -2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -19.165 -9.760 -1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -20.320 -10.812 -2.027 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.058 -6.382 0.222 1.00 0.00 N ATOM 1469 CA LEU A 99 -16.990 -6.653 1.179 1.00 0.00 C ATOM 1470 C LEU A 99 -17.548 -7.076 2.532 1.00 0.00 C ATOM 1471 O LEU A 99 -16.898 -7.809 3.270 1.00 0.00 O ATOM 1472 CB LEU A 99 -16.094 -5.422 1.313 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.020 -5.261 0.227 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -13.727 -5.922 0.668 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.468 -5.853 -1.107 1.00 0.00 C ATOM 0 H LEU A 99 -18.083 -5.416 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.393 -7.485 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.725 -4.533 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.600 -5.458 2.284 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.858 -4.193 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -12.973 -5.801 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.376 -5.456 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.902 -6.984 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -14.680 -5.718 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -15.672 -6.917 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.373 -5.347 -1.444 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.741 -6.592 2.868 1.00 0.00 N ATOM 1488 CA GLN A 100 -19.416 -7.010 4.095 1.00 0.00 C ATOM 1489 C GLN A 100 -19.609 -8.528 4.114 1.00 0.00 C ATOM 1490 O GLN A 100 -19.530 -9.161 5.170 1.00 0.00 O ATOM 1491 CB GLN A 100 -20.768 -6.307 4.238 1.00 0.00 C ATOM 1492 CG GLN A 100 -20.661 -4.793 4.352 1.00 0.00 C ATOM 1493 CD GLN A 100 -19.832 -4.348 5.544 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -20.353 -4.152 6.642 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -18.538 -4.168 5.331 1.00 0.00 N ATOM 0 H GLN A 100 -19.259 -5.913 2.311 1.00 0.00 H new ATOM 0 HA GLN A 100 -18.786 -6.727 4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -21.389 -6.555 3.377 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -21.277 -6.694 5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -20.218 -4.395 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -21.661 -4.368 4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.144 -4.341 4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.934 -3.856 6.092 1.00 0.00 H new ATOM 1504 N LYS A 101 -19.860 -9.104 2.936 1.00 0.00 N ATOM 1505 CA LYS A 101 -19.981 -10.554 2.794 1.00 0.00 C ATOM 1506 C LYS A 101 -18.633 -11.220 3.052 1.00 0.00 C ATOM 1507 O LYS A 101 -18.562 -12.308 3.627 1.00 0.00 O ATOM 1508 CB LYS A 101 -20.481 -10.919 1.391 1.00 0.00 C ATOM 1509 CG LYS A 101 -21.858 -10.366 1.060 1.00 0.00 C ATOM 1510 CD LYS A 101 -22.929 -10.959 1.961 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.316 -10.472 1.572 1.00 0.00 C ATOM 1512 NZ LYS A 101 -24.696 -10.898 0.197 1.00 0.00 N ATOM 0 H LYS A 101 -19.983 -8.586 2.066 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.704 -10.912 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -19.767 -10.550 0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -20.505 -12.005 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -21.851 -9.281 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.097 -10.582 0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -22.894 -12.047 1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.725 -10.689 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -25.047 -10.855 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -24.349 -9.384 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.720 -10.772 0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -24.184 -10.320 -0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -24.450 -11.900 0.064 1.00 0.00 H new ATOM 1526 N LEU A 102 -17.564 -10.555 2.621 1.00 0.00 N ATOM 1527 CA LEU A 102 -16.205 -11.020 2.874 1.00 0.00 C ATOM 1528 C LEU A 102 -15.912 -10.986 4.367 1.00 0.00 C ATOM 1529 O LEU A 102 -15.584 -12.003 4.981 1.00 0.00 O ATOM 1530 CB LEU A 102 -15.184 -10.148 2.130 1.00 0.00 C ATOM 1531 CG LEU A 102 -15.023 -10.438 0.638 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -16.279 -10.099 -0.149 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -13.822 -9.695 0.075 1.00 0.00 C ATOM 0 H LEU A 102 -17.615 -9.685 2.091 1.00 0.00 H new ATOM 0 HA LEU A 102 -16.121 -12.044 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.472 -9.103 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -14.213 -10.268 2.611 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.855 -11.510 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -16.118 -10.321 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -17.113 -10.693 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -16.507 -9.040 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.724 -9.914 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.960 -8.623 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.919 -10.015 0.596 1.00 0.00 H new ATOM 1545 N GLY A 103 -16.024 -9.798 4.931 1.00 0.00 N ATOM 1546 CA GLY A 103 -15.903 -9.624 6.366 1.00 0.00 C ATOM 1547 C GLY A 103 -14.483 -9.329 6.802 1.00 0.00 C ATOM 1548 O GLY A 103 -14.240 -8.385 7.557 1.00 0.00 O ATOM 0 H GLY A 103 -16.199 -8.936 4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.553 -8.809 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.253 -10.526 6.868 1.00 0.00 H new ATOM 1552 N VAL A 104 -13.552 -10.136 6.313 1.00 0.00 N ATOM 1553 CA VAL A 104 -12.146 -10.014 6.674 1.00 0.00 C ATOM 1554 C VAL A 104 -11.557 -8.692 6.167 1.00 0.00 C ATOM 1555 O VAL A 104 -11.898 -8.219 5.077 1.00 0.00 O ATOM 1556 CB VAL A 104 -11.334 -11.211 6.116 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -11.424 -11.281 4.597 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -9.882 -11.147 6.566 1.00 0.00 C ATOM 0 H VAL A 104 -13.749 -10.892 5.657 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.080 -10.021 7.762 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.775 -12.122 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.844 -12.131 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.466 -11.400 4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.027 -10.362 4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.337 -11.999 6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.430 -10.222 6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -9.837 -11.174 7.655 1.00 0.00 H new ATOM 1568 N GLN A 105 -10.691 -8.088 6.976 1.00 0.00 N ATOM 1569 CA GLN A 105 -10.044 -6.835 6.615 1.00 0.00 C ATOM 1570 C GLN A 105 -9.015 -7.049 5.514 1.00 0.00 C ATOM 1571 O GLN A 105 -7.849 -7.345 5.776 1.00 0.00 O ATOM 1572 CB GLN A 105 -9.380 -6.194 7.835 1.00 0.00 C ATOM 1573 CG GLN A 105 -10.365 -5.600 8.827 1.00 0.00 C ATOM 1574 CD GLN A 105 -11.182 -4.468 8.233 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -10.719 -3.750 7.345 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -12.401 -4.301 8.716 1.00 0.00 N ATOM 0 H GLN A 105 -10.421 -8.450 7.891 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.815 -6.161 6.242 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.774 -6.944 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.701 -5.411 7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -11.037 -6.383 9.178 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.821 -5.233 9.697 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.747 -4.917 9.451 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.996 -3.556 8.353 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.463 -6.906 4.279 1.00 0.00 N ATOM 1586 CA VAL A 106 -8.589 -7.026 3.121 1.00 0.00 C ATOM 1587 C VAL A 106 -7.821 -5.732 2.873 1.00 0.00 C ATOM 1588 O VAL A 106 -6.939 -5.681 2.018 1.00 0.00 O ATOM 1589 CB VAL A 106 -9.388 -7.373 1.849 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -10.046 -8.735 1.974 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -10.429 -6.303 1.563 1.00 0.00 C ATOM 0 H VAL A 106 -10.436 -6.705 4.049 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.888 -7.831 3.340 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.690 -7.410 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.603 -8.955 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.281 -9.496 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.728 -8.733 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.983 -6.566 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -11.118 -6.232 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.934 -5.343 1.418 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.149 -4.700 3.645 1.00 0.00 N ATOM 1602 CA ARG A 107 -7.634 -3.359 3.398 1.00 0.00 C ATOM 1603 C ARG A 107 -6.127 -3.272 3.647 1.00 0.00 C ATOM 1604 O ARG A 107 -5.473 -2.348 3.173 1.00 0.00 O ATOM 1605 CB ARG A 107 -8.385 -2.333 4.253 1.00 0.00 C ATOM 1606 CG ARG A 107 -9.900 -2.444 4.129 1.00 0.00 C ATOM 1607 CD ARG A 107 -10.603 -1.110 4.356 1.00 0.00 C ATOM 1608 NE ARG A 107 -10.322 -0.530 5.668 1.00 0.00 N ATOM 1609 CZ ARG A 107 -11.208 0.181 6.374 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -12.470 0.299 5.962 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -10.835 0.764 7.502 1.00 0.00 N ATOM 0 H ARG A 107 -8.772 -4.769 4.450 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.801 -3.130 2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.102 -2.463 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.075 -1.330 3.961 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.154 -2.821 3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -10.268 -3.173 4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -10.295 -0.408 3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -11.679 -1.250 4.250 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.395 -0.676 6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -12.770 -0.156 5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -13.136 0.844 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.874 0.671 7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.508 1.307 8.042 1.00 0.00 H new ATOM 1625 N GLU A 108 -5.583 -4.231 4.386 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.139 -4.299 4.592 1.00 0.00 C ATOM 1627 C GLU A 108 -3.603 -5.683 4.244 1.00 0.00 C ATOM 1628 O GLU A 108 -2.760 -5.823 3.364 1.00 0.00 O ATOM 1629 CB GLU A 108 -3.763 -3.954 6.034 1.00 0.00 C ATOM 1630 CG GLU A 108 -4.006 -2.504 6.413 1.00 0.00 C ATOM 1631 CD GLU A 108 -3.445 -2.177 7.782 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -4.099 -2.513 8.790 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -2.328 -1.618 7.859 1.00 0.00 O ATOM 0 H GLU A 108 -6.114 -4.968 4.850 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.686 -3.563 3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.332 -4.594 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.709 -4.186 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.549 -1.852 5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.077 -2.300 6.401 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.117 -6.698 4.932 1.00 0.00 N ATOM 1641 CA GLU A 109 -3.638 -8.072 4.785 1.00 0.00 C ATOM 1642 C GLU A 109 -3.687 -8.556 3.332 1.00 0.00 C ATOM 1643 O GLU A 109 -2.722 -9.129 2.830 1.00 0.00 O ATOM 1644 CB GLU A 109 -4.471 -8.994 5.674 1.00 0.00 C ATOM 1645 CG GLU A 109 -4.095 -10.460 5.572 1.00 0.00 C ATOM 1646 CD GLU A 109 -4.878 -11.321 6.536 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -6.105 -11.454 6.359 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -4.275 -11.858 7.485 1.00 0.00 O ATOM 0 H GLU A 109 -4.875 -6.594 5.606 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.592 -8.095 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -4.365 -8.674 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -5.523 -8.881 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.269 -10.808 4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.029 -10.574 5.770 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.806 -8.329 2.663 1.00 0.00 N ATOM 1656 CA LEU A 110 -4.949 -8.753 1.276 1.00 0.00 C ATOM 1657 C LEU A 110 -4.187 -7.797 0.362 1.00 0.00 C ATOM 1658 O LEU A 110 -3.572 -8.212 -0.622 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.440 -8.823 0.902 1.00 0.00 C ATOM 1660 CG LEU A 110 -6.788 -9.447 -0.461 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -6.551 -8.464 -1.598 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -5.995 -10.727 -0.683 1.00 0.00 C ATOM 0 H LEU A 110 -5.623 -7.858 3.052 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.524 -9.749 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.958 -9.389 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.843 -7.811 0.924 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.849 -9.695 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.807 -8.936 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.175 -7.582 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.502 -8.169 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.255 -11.153 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.929 -10.503 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.233 -11.443 0.104 1.00 0.00 H new ATOM 1674 N LEU A 111 -4.212 -6.519 0.716 1.00 0.00 N ATOM 1675 CA LEU A 111 -3.576 -5.478 -0.079 1.00 0.00 C ATOM 1676 C LEU A 111 -2.067 -5.700 -0.173 1.00 0.00 C ATOM 1677 O LEU A 111 -1.454 -5.441 -1.210 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.867 -4.108 0.542 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.310 -2.905 -0.218 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -3.972 -2.774 -1.580 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -3.501 -1.636 0.596 1.00 0.00 C ATOM 0 H LEU A 111 -4.672 -6.176 1.559 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.985 -5.517 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -4.947 -3.991 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.462 -4.095 1.554 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.243 -3.059 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.560 -1.911 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.785 -3.675 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.046 -2.641 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.100 -0.786 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.564 -1.480 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.976 -1.731 1.547 1.00 0.00 H new ATOM 1693 N ARG A 112 -1.475 -6.200 0.904 1.00 0.00 N ATOM 1694 CA ARG A 112 -0.030 -6.398 0.964 1.00 0.00 C ATOM 1695 C ARG A 112 0.371 -7.777 0.459 1.00 0.00 C ATOM 1696 O ARG A 112 1.503 -8.216 0.668 1.00 0.00 O ATOM 1697 CB ARG A 112 0.474 -6.194 2.394 1.00 0.00 C ATOM 1698 CG ARG A 112 0.361 -4.758 2.880 1.00 0.00 C ATOM 1699 CD ARG A 112 1.294 -3.838 2.111 1.00 0.00 C ATOM 1700 NE ARG A 112 2.697 -4.182 2.331 1.00 0.00 N ATOM 1701 CZ ARG A 112 3.544 -4.526 1.362 1.00 0.00 C ATOM 1702 NH1 ARG A 112 3.139 -4.531 0.097 1.00 0.00 N ATOM 1703 NH2 ARG A 112 4.799 -4.842 1.659 1.00 0.00 N ATOM 0 H ARG A 112 -1.973 -6.477 1.750 1.00 0.00 H new ATOM 0 HA ARG A 112 0.432 -5.658 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.090 -6.841 3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.516 -6.507 2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.667 -4.414 2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.597 -4.712 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.068 -3.898 1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.120 -2.806 2.416 1.00 0.00 H new ATOM 0 HE ARG A 112 3.050 -4.157 3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.180 -4.271 -0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.787 -4.794 -0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 112 5.114 -4.821 2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.448 -5.105 0.917 1.00 0.00 H new ATOM 1717 N ALA A 113 -0.562 -8.432 -0.221 1.00 0.00 N ATOM 1718 CA ALA A 113 -0.352 -9.769 -0.780 1.00 0.00 C ATOM 1719 C ALA A 113 -0.115 -10.815 0.313 1.00 0.00 C ATOM 1720 O ALA A 113 -0.026 -10.496 1.499 1.00 0.00 O ATOM 1721 CB ALA A 113 0.801 -9.759 -1.777 1.00 0.00 C ATOM 0 H ALA A 113 -1.491 -8.052 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 113 -1.265 -10.050 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 113 0.941 -10.762 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 113 0.574 -9.069 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.714 -9.440 -1.274 1.00 0.00 H new ATOM 1727 N GLN A 114 -0.033 -12.073 -0.093 1.00 0.00 N ATOM 1728 CA GLN A 114 0.145 -13.166 0.846 1.00 0.00 C ATOM 1729 C GLN A 114 1.555 -13.720 0.783 1.00 0.00 C ATOM 1730 O GLN A 114 2.298 -13.480 -0.172 1.00 0.00 O ATOM 1731 CB GLN A 114 -0.845 -14.296 0.562 1.00 0.00 C ATOM 1732 CG GLN A 114 -2.298 -13.871 0.604 1.00 0.00 C ATOM 1733 CD GLN A 114 -2.845 -13.503 -0.764 1.00 0.00 C ATOM 1734 OE1 GLN A 114 -2.116 -13.049 -1.646 1.00 0.00 O ATOM 1735 NE2 GLN A 114 -4.139 -13.691 -0.946 1.00 0.00 N ATOM 0 H GLN A 114 -0.087 -12.361 -1.070 1.00 0.00 H new ATOM 0 HA GLN A 114 -0.037 -12.765 1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -0.629 -14.716 -0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -0.689 -15.092 1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -2.896 -14.680 1.023 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -2.403 -13.017 1.273 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -4.711 -14.070 -0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -4.567 -13.458 -1.842 1.00 0.00 H new ATOM 1744 N GLU A 115 1.906 -14.478 1.803 1.00 0.00 N ATOM 1745 CA GLU A 115 3.194 -15.143 1.860 1.00 0.00 C ATOM 1746 C GLU A 115 2.994 -16.644 1.745 1.00 0.00 C ATOM 1747 O GLU A 115 2.095 -17.202 2.377 1.00 0.00 O ATOM 1748 CB GLU A 115 3.936 -14.792 3.153 1.00 0.00 C ATOM 1749 CG GLU A 115 3.102 -14.966 4.413 1.00 0.00 C ATOM 1750 CD GLU A 115 3.913 -14.746 5.672 1.00 0.00 C ATOM 1751 OE1 GLU A 115 4.297 -13.590 5.946 1.00 0.00 O ATOM 1752 OE2 GLU A 115 4.193 -15.731 6.382 1.00 0.00 O ATOM 0 H GLU A 115 1.310 -14.650 2.613 1.00 0.00 H new ATOM 0 HA GLU A 115 3.806 -14.799 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 115 4.826 -15.417 3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.276 -13.758 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.267 -14.265 4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.676 -15.969 4.428 1.00 0.00 H new ATOM 1759 N ALA A 116 3.826 -17.283 0.929 1.00 0.00 N ATOM 1760 CA ALA A 116 3.678 -18.700 0.613 1.00 0.00 C ATOM 1761 C ALA A 116 2.279 -18.984 0.066 1.00 0.00 C ATOM 1762 O ALA A 116 1.499 -19.721 0.670 1.00 0.00 O ATOM 1763 CB ALA A 116 3.976 -19.564 1.834 1.00 0.00 C ATOM 0 H ALA A 116 4.619 -16.836 0.469 1.00 0.00 H new ATOM 0 HA ALA A 116 4.403 -18.956 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 116 3.859 -20.616 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.999 -19.384 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.284 -19.310 2.637 1.00 0.00 H new ATOM 1769 N PRO A 117 1.947 -18.408 -1.103 1.00 0.00 N ATOM 1770 CA PRO A 117 0.619 -18.519 -1.694 1.00 0.00 C ATOM 1771 C PRO A 117 0.420 -19.842 -2.428 1.00 0.00 C ATOM 1772 O PRO A 117 -0.534 -20.009 -3.188 1.00 0.00 O ATOM 1773 CB PRO A 117 0.550 -17.335 -2.674 1.00 0.00 C ATOM 1774 CG PRO A 117 1.876 -16.638 -2.589 1.00 0.00 C ATOM 1775 CD PRO A 117 2.830 -17.609 -1.952 1.00 0.00 C ATOM 0 HA PRO A 117 -0.164 -18.496 -0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 117 0.358 -17.682 -3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -0.262 -16.658 -2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 117 2.224 -16.345 -3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 117 1.798 -15.726 -1.997 1.00 0.00 H new ATOM 0 HD2 PRO A 117 3.342 -18.221 -2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 117 3.600 -17.100 -1.372 1.00 0.00 H new ATOM 1783 N GLY A 118 1.323 -20.779 -2.189 1.00 0.00 N ATOM 1784 CA GLY A 118 1.216 -22.090 -2.791 1.00 0.00 C ATOM 1785 C GLY A 118 0.613 -23.098 -1.837 1.00 0.00 C ATOM 1786 O GLY A 118 0.920 -24.289 -1.900 1.00 0.00 O ATOM 0 H GLY A 118 2.134 -20.653 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 118 0.603 -22.028 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 118 2.204 -22.429 -3.102 1.00 0.00 H new ATOM 1790 N GLN A 119 -0.231 -22.612 -0.938 1.00 0.00 N ATOM 1791 CA GLN A 119 -0.912 -23.468 0.020 1.00 0.00 C ATOM 1792 C GLN A 119 -2.284 -23.872 -0.506 1.00 0.00 C ATOM 1793 O GLN A 119 -3.302 -23.276 -0.141 1.00 0.00 O ATOM 1794 CB GLN A 119 -1.061 -22.757 1.367 1.00 0.00 C ATOM 1795 CG GLN A 119 0.261 -22.446 2.053 1.00 0.00 C ATOM 1796 CD GLN A 119 1.047 -23.694 2.407 1.00 0.00 C ATOM 1797 OE1 GLN A 119 0.877 -24.262 3.486 1.00 0.00 O ATOM 1798 NE2 GLN A 119 1.915 -24.126 1.505 1.00 0.00 N ATOM 0 H GLN A 119 -0.461 -21.622 -0.853 1.00 0.00 H new ATOM 0 HA GLN A 119 -0.309 -24.365 0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.608 -21.826 1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.665 -23.378 2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 119 0.864 -21.815 1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 119 0.068 -21.874 2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 119 2.025 -23.626 0.623 1.00 0.00 H new ATOM 0 HE22 GLN A 119 2.473 -24.959 1.692 1.00 0.00 H new ATOM 1807 N ALA A 120 -2.300 -24.870 -1.379 1.00 0.00 N ATOM 1808 CA ALA A 120 -3.541 -25.390 -1.936 1.00 0.00 C ATOM 1809 C ALA A 120 -3.302 -26.759 -2.560 1.00 0.00 C ATOM 1810 O ALA A 120 -3.447 -26.897 -3.794 1.00 0.00 O ATOM 1811 CB ALA A 120 -4.115 -24.425 -2.965 1.00 0.00 C ATOM 1812 OXT ALA A 120 -2.914 -27.684 -1.819 1.00 0.00 O ATOM 0 H ALA A 120 -1.460 -25.339 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.267 -25.496 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -5.042 -24.833 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.317 -23.465 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.397 -24.286 -3.773 1.00 0.00 H new TER 1818 ALA A 120 ATOM 1819 N GLN B 1 -16.186 22.554 5.500 1.00 0.00 N ATOM 1820 CA GLN B 1 -17.215 22.222 4.492 1.00 0.00 C ATOM 1821 C GLN B 1 -16.634 21.323 3.407 1.00 0.00 C ATOM 1822 O GLN B 1 -16.848 20.108 3.408 1.00 0.00 O ATOM 1823 CB GLN B 1 -17.780 23.498 3.862 1.00 0.00 C ATOM 1824 CG GLN B 1 -18.590 24.349 4.824 1.00 0.00 C ATOM 1825 CD GLN B 1 -19.845 23.653 5.316 1.00 0.00 C ATOM 1826 OE1 GLN B 1 -20.434 22.813 4.478 1.00 0.00 O flip ATOM 1827 NE2 GLN B 1 -20.291 23.881 6.439 1.00 0.00 N flip ATOM 0 H1 GLN B 1 -16.635 23.021 6.313 1.00 0.00 H new ATOM 0 H2 GLN B 1 -15.717 21.682 5.817 1.00 0.00 H new ATOM 0 H3 GLN B 1 -15.481 23.193 5.079 1.00 0.00 H new ATOM 0 HA GLN B 1 -18.022 21.689 4.995 1.00 0.00 H new ATOM 0 HB2 GLN B 1 -16.956 24.094 3.470 1.00 0.00 H new ATOM 0 HB3 GLN B 1 -18.409 23.226 3.014 1.00 0.00 H new ATOM 0 HG2 GLN B 1 -17.968 24.613 5.679 1.00 0.00 H new ATOM 0 HG3 GLN B 1 -18.867 25.281 4.332 1.00 0.00 H new ATOM 0 HE21 GLN B 1 -19.809 24.535 7.056 1.00 0.00 H new ATOM 0 HE22 GLN B 1 -21.143 23.416 6.753 1.00 0.00 H new ATOM 1838 N ASP B 2 -15.867 21.922 2.504 1.00 0.00 N ATOM 1839 CA ASP B 2 -15.309 21.205 1.368 1.00 0.00 C ATOM 1840 C ASP B 2 -13.896 21.710 1.097 1.00 0.00 C ATOM 1841 O ASP B 2 -13.647 22.916 1.159 1.00 0.00 O ATOM 1842 CB ASP B 2 -16.199 21.412 0.140 1.00 0.00 C ATOM 1843 CG ASP B 2 -16.009 20.333 -0.902 1.00 0.00 C ATOM 1844 OD1 ASP B 2 -15.100 20.470 -1.743 1.00 0.00 O ATOM 1845 OD2 ASP B 2 -16.780 19.350 -0.877 1.00 0.00 O ATOM 0 H ASP B 2 -15.617 22.910 2.539 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.266 20.139 1.589 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -17.243 21.432 0.452 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -15.980 22.383 -0.304 1.00 0.00 H new ATOM 1850 N THR B 3 -12.970 20.805 0.817 1.00 0.00 N ATOM 1851 CA THR B 3 -11.564 21.174 0.724 1.00 0.00 C ATOM 1852 C THR B 3 -10.915 20.629 -0.550 1.00 0.00 C ATOM 1853 O THR B 3 -11.156 19.484 -0.938 1.00 0.00 O ATOM 1854 CB THR B 3 -10.796 20.646 1.952 1.00 0.00 C ATOM 1855 OG1 THR B 3 -11.538 20.932 3.153 1.00 0.00 O ATOM 1856 CG2 THR B 3 -9.418 21.281 2.048 1.00 0.00 C ATOM 0 H THR B 3 -13.164 19.817 0.651 1.00 0.00 H new ATOM 0 HA THR B 3 -11.515 22.262 0.692 1.00 0.00 H new ATOM 0 HB THR B 3 -10.676 19.569 1.839 1.00 0.00 H new ATOM 0 HG1 THR B 3 -11.881 20.096 3.532 1.00 0.00 H new ATOM 0 HG21 THR B 3 -8.898 20.891 2.923 1.00 0.00 H new ATOM 0 HG22 THR B 3 -8.846 21.046 1.151 1.00 0.00 H new ATOM 0 HG23 THR B 3 -9.521 22.362 2.139 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.100 21.457 -1.203 1.00 0.00 N ATOM 1865 CA ARG B 4 -9.344 21.026 -2.371 1.00 0.00 C ATOM 1866 C ARG B 4 -7.982 20.501 -1.935 1.00 0.00 C ATOM 1867 O ARG B 4 -7.186 21.227 -1.339 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.165 22.179 -3.365 1.00 0.00 C ATOM 1869 CG ARG B 4 -8.539 21.747 -4.684 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.299 22.931 -5.609 1.00 0.00 C ATOM 1871 NE ARG B 4 -7.944 22.506 -6.966 1.00 0.00 N ATOM 1872 CZ ARG B 4 -7.660 23.343 -7.965 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -7.577 24.651 -7.750 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -7.427 22.862 -9.177 1.00 0.00 N ATOM 0 H ARG B 4 -9.949 22.431 -0.940 1.00 0.00 H new ATOM 0 HA ARG B 4 -9.900 20.231 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.136 22.632 -3.563 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -8.541 22.948 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -7.594 21.240 -4.489 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.191 21.026 -5.177 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -9.196 23.549 -5.646 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -7.500 23.552 -5.203 1.00 0.00 H new ATOM 0 HE ARG B 4 -7.912 21.505 -7.159 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -7.731 25.025 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -7.359 25.282 -8.521 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -7.465 21.856 -9.343 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -7.209 23.497 -9.945 1.00 0.00 H new ATOM 1888 N LEU B 5 -7.726 19.241 -2.230 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.499 18.586 -1.812 1.00 0.00 C ATOM 1890 C LEU B 5 -5.464 18.614 -2.924 1.00 0.00 C ATOM 1891 O LEU B 5 -4.257 18.787 -2.625 1.00 0.00 O ATOM 1892 CB LEU B 5 -6.784 17.141 -1.402 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.114 16.924 0.078 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -5.984 17.436 0.951 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -8.426 17.597 0.447 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.859 18.458 -4.099 1.00 0.00 O ATOM 0 H LEU B 5 -8.358 18.644 -2.763 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.100 19.129 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.617 16.771 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.915 16.533 -1.655 1.00 0.00 H new ATOM 0 HG LEU B 5 -7.227 15.854 0.250 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.233 17.275 2.000 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.066 16.900 0.709 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -5.840 18.501 0.772 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -8.637 17.428 1.503 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.351 18.668 0.259 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.232 17.178 -0.156 1.00 0.00 H new TER 1908 LEU B 5