USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 952 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 90 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 116 CYS SG : rot 93:sc= -5.99! USER MOD Set 2.1: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 105 ASN : amide:sc= 0 K(o=0,f=0.51) USER MOD Set 3.1: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 61 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-3.1!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -160:sc= -0.304 USER MOD Single : A 12 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-3.1!) USER MOD Single : A 16 THR OG1 : rot -99:sc= 0.309 USER MOD Single : A 17 THR OG1 : rot -39:sc= 0.478 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0762 K(o=-0.076,f=1.1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0214) USER MOD Single : A 28 GLN : amide:sc= -1.78! K(o=-1.8!,f=0) USER MOD Single : A 31 SER OG : rot -75:sc= 0.201 USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0294) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00113) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 154:sc= -0.0637 USER MOD Single : A 62 TYR OH : rot 6:sc= -0.951 USER MOD Single : A 64 THR OG1 : rot 108:sc= -0.697 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0405) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.181) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 115 TYR OH : rot 180:sc= -3.55! USER MOD Single : A 119 LYS NZ :NH3+ -145:sc= -0.569 (180deg=-2.47!) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -8.889 -19.286 -12.366 1.00 0.00 N ATOM 2 CA TYR A 4 -9.360 -17.907 -12.556 1.00 0.00 C ATOM 3 C TYR A 4 -8.805 -17.025 -11.437 1.00 0.00 C ATOM 4 O TYR A 4 -8.986 -17.285 -10.247 1.00 0.00 O ATOM 5 CB TYR A 4 -10.890 -17.870 -12.627 1.00 0.00 C ATOM 6 CG TYR A 4 -11.397 -16.675 -13.419 1.00 0.00 C ATOM 7 CD1 TYR A 4 -11.543 -15.464 -12.818 1.00 0.00 C ATOM 8 CD2 TYR A 4 -11.700 -16.812 -14.741 1.00 0.00 C ATOM 9 CE1 TYR A 4 -12.006 -14.406 -13.529 1.00 0.00 C ATOM 10 CE2 TYR A 4 -12.156 -15.749 -15.451 1.00 0.00 C ATOM 11 CZ TYR A 4 -12.311 -14.545 -14.846 1.00 0.00 C ATOM 12 OH TYR A 4 -12.765 -13.469 -15.564 1.00 0.00 O ATOM 0 HA TYR A 4 -8.993 -17.514 -13.504 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -11.254 -18.789 -13.086 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -11.299 -17.835 -11.617 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.290 -15.345 -11.775 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -11.577 -17.770 -15.225 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.133 -13.448 -13.046 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.396 -15.862 -16.498 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.934 -13.742 -16.490 1.00 0.00 H new ATOM 22 N LYS A 5 -8.047 -16.016 -11.848 1.00 0.00 N ATOM 23 CA LYS A 5 -7.211 -15.248 -10.930 1.00 0.00 C ATOM 24 C LYS A 5 -7.937 -13.973 -10.508 1.00 0.00 C ATOM 25 O LYS A 5 -8.042 -13.027 -11.288 1.00 0.00 O ATOM 26 CB LYS A 5 -5.905 -14.914 -11.660 1.00 0.00 C ATOM 27 CG LYS A 5 -5.033 -16.151 -11.908 1.00 0.00 C ATOM 28 CD LYS A 5 -3.753 -15.787 -12.666 1.00 0.00 C ATOM 29 CE LYS A 5 -2.908 -17.032 -12.938 1.00 0.00 C ATOM 30 NZ LYS A 5 -1.689 -16.672 -13.683 1.00 0.00 N ATOM 0 H LYS A 5 -7.993 -15.708 -12.819 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.997 -15.822 -10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.138 -14.441 -12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.341 -14.188 -11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.775 -16.613 -10.955 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.598 -16.889 -12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.009 -15.303 -13.609 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.174 -15.069 -12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.639 -17.509 -11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.490 -17.757 -13.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.125 -17.528 -13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.952 -16.237 -14.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.128 -15.997 -13.125 1.00 0.00 H new ATOM 44 N THR A 6 -8.477 -13.927 -9.294 1.00 0.00 N ATOM 45 CA THR A 6 -9.101 -12.671 -8.843 1.00 0.00 C ATOM 46 C THR A 6 -7.982 -11.697 -8.462 1.00 0.00 C ATOM 47 O THR A 6 -6.969 -12.105 -7.889 1.00 0.00 O ATOM 48 CB THR A 6 -10.002 -12.955 -7.627 1.00 0.00 C ATOM 49 OG1 THR A 6 -10.596 -11.741 -7.197 1.00 0.00 O ATOM 50 CG2 THR A 6 -9.292 -13.598 -6.427 1.00 0.00 C ATOM 0 H THR A 6 -8.501 -14.699 -8.628 1.00 0.00 H new ATOM 0 HA THR A 6 -9.715 -12.238 -9.633 1.00 0.00 H new ATOM 0 HB THR A 6 -10.737 -13.682 -7.972 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.902 -11.836 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.010 -13.758 -5.623 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.864 -14.554 -6.727 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.497 -12.938 -6.078 1.00 0.00 H new ATOM 58 N GLY A 7 -8.145 -10.413 -8.778 1.00 0.00 N ATOM 59 CA GLY A 7 -7.132 -9.446 -8.351 1.00 0.00 C ATOM 60 C GLY A 7 -7.720 -8.186 -7.726 1.00 0.00 C ATOM 61 O GLY A 7 -8.848 -8.147 -7.230 1.00 0.00 O ATOM 0 H GLY A 7 -8.930 -10.029 -9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.467 -9.923 -7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.523 -9.166 -9.211 1.00 0.00 H new ATOM 65 N LEU A 8 -6.868 -7.173 -7.690 1.00 0.00 N ATOM 66 CA LEU A 8 -7.168 -5.933 -6.978 1.00 0.00 C ATOM 67 C LEU A 8 -6.793 -4.777 -7.893 1.00 0.00 C ATOM 68 O LEU A 8 -5.755 -4.804 -8.558 1.00 0.00 O ATOM 69 CB LEU A 8 -6.275 -5.883 -5.728 1.00 0.00 C ATOM 70 CG LEU A 8 -6.966 -5.340 -4.481 1.00 0.00 C ATOM 71 CD1 LEU A 8 -5.873 -5.035 -3.455 1.00 0.00 C ATOM 72 CD2 LEU A 8 -7.821 -4.097 -4.742 1.00 0.00 C ATOM 0 H LEU A 8 -5.957 -7.183 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.220 -5.876 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.909 -6.888 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.403 -5.265 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.665 -6.093 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.327 -4.643 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.326 -5.949 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.185 -4.295 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.280 -3.769 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.192 -3.299 -5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.600 -4.337 -5.466 1.00 0.00 H new ATOM 84 N LEU A 9 -7.603 -3.728 -7.887 1.00 0.00 N ATOM 85 CA LEU A 9 -7.257 -2.532 -8.623 1.00 0.00 C ATOM 86 C LEU A 9 -7.262 -1.328 -7.665 1.00 0.00 C ATOM 87 O LEU A 9 -8.205 -1.082 -6.914 1.00 0.00 O ATOM 88 CB LEU A 9 -8.238 -2.473 -9.791 1.00 0.00 C ATOM 89 CG LEU A 9 -8.225 -1.115 -10.464 1.00 0.00 C ATOM 90 CD1 LEU A 9 -6.854 -0.852 -11.066 1.00 0.00 C ATOM 91 CD2 LEU A 9 -9.288 -1.142 -11.537 1.00 0.00 C ATOM 0 H LEU A 9 -8.491 -3.685 -7.387 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.250 -2.525 -9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.984 -3.243 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.244 -2.693 -9.433 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.429 -0.317 -9.750 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.850 0.125 -11.549 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.101 -0.871 -10.278 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.627 -1.622 -11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.313 -0.180 -12.049 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.060 -1.929 -12.255 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.259 -1.336 -11.082 1.00 0.00 H new ATOM 103 N LEU A 10 -6.169 -0.578 -7.745 1.00 0.00 N ATOM 104 CA LEU A 10 -6.031 0.697 -7.018 1.00 0.00 C ATOM 105 C LEU A 10 -6.010 1.853 -8.028 1.00 0.00 C ATOM 106 O LEU A 10 -5.202 1.877 -8.954 1.00 0.00 O ATOM 107 CB LEU A 10 -4.808 0.741 -6.085 1.00 0.00 C ATOM 108 CG LEU A 10 -5.150 0.219 -4.685 1.00 0.00 C ATOM 109 CD1 LEU A 10 -3.996 -0.574 -4.081 1.00 0.00 C ATOM 110 CD2 LEU A 10 -5.467 1.412 -3.784 1.00 0.00 C ATOM 0 H LEU A 10 -5.355 -0.826 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.894 0.798 -6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.003 0.143 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.441 1.765 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.008 -0.449 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.277 -0.927 -3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.768 -1.428 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.117 0.065 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.713 1.057 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.599 2.070 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.315 1.961 -4.193 1.00 0.00 H new ATOM 122 N ILE A 11 -6.966 2.765 -7.897 1.00 0.00 N ATOM 123 CA ILE A 11 -7.232 3.766 -8.949 1.00 0.00 C ATOM 124 C ILE A 11 -7.164 5.175 -8.352 1.00 0.00 C ATOM 125 O ILE A 11 -8.020 5.543 -7.546 1.00 0.00 O ATOM 126 CB ILE A 11 -8.603 3.634 -9.637 1.00 0.00 C ATOM 127 CG1 ILE A 11 -9.071 2.187 -9.850 1.00 0.00 C ATOM 128 CG2 ILE A 11 -8.576 4.381 -10.977 1.00 0.00 C ATOM 129 CD1 ILE A 11 -10.517 2.100 -10.349 1.00 0.00 C ATOM 0 H ILE A 11 -7.573 2.840 -7.081 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.466 3.586 -9.703 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.329 4.079 -8.957 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.413 1.699 -10.569 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.981 1.639 -8.912 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.546 4.288 -11.465 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.357 5.434 -10.802 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.805 3.952 -11.617 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.794 1.054 -10.482 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.182 2.561 -9.619 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.605 2.622 -11.302 1.00 0.00 H new ATOM 141 N HIS A 12 -6.163 5.973 -8.708 1.00 0.00 N ATOM 142 CA HIS A 12 -6.195 7.376 -8.275 1.00 0.00 C ATOM 143 C HIS A 12 -6.998 8.142 -9.352 1.00 0.00 C ATOM 144 O HIS A 12 -6.706 8.011 -10.542 1.00 0.00 O ATOM 145 CB HIS A 12 -4.744 7.875 -8.258 1.00 0.00 C ATOM 146 CG HIS A 12 -4.495 9.322 -7.863 1.00 0.00 C ATOM 147 ND1 HIS A 12 -5.448 10.304 -7.637 1.00 0.00 N ATOM 148 CD2 HIS A 12 -3.209 9.868 -7.860 1.00 0.00 C ATOM 149 CE1 HIS A 12 -4.602 11.379 -7.511 1.00 0.00 C ATOM 150 NE2 HIS A 12 -3.252 11.219 -7.614 1.00 0.00 N ATOM 0 H HIS A 12 -5.355 5.698 -9.267 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.645 7.511 -7.291 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.180 7.240 -7.575 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.326 7.723 -9.253 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.303 9.304 -8.028 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.011 12.362 -7.328 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -2.497 11.900 -7.533 1.00 0.00 H new ATOM 158 N PRO A 13 -8.008 8.943 -8.979 1.00 0.00 N ATOM 159 CA PRO A 13 -8.946 9.526 -9.958 1.00 0.00 C ATOM 160 C PRO A 13 -8.474 10.500 -11.045 1.00 0.00 C ATOM 161 O PRO A 13 -9.293 10.921 -11.862 1.00 0.00 O ATOM 162 CB PRO A 13 -9.866 10.313 -9.033 1.00 0.00 C ATOM 163 CG PRO A 13 -9.980 9.450 -7.785 1.00 0.00 C ATOM 164 CD PRO A 13 -8.561 8.917 -7.612 1.00 0.00 C ATOM 0 HA PRO A 13 -9.315 8.703 -10.569 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.451 11.294 -8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.841 10.480 -9.491 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.302 10.030 -6.920 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.702 8.644 -7.915 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.979 9.540 -6.933 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.560 7.908 -7.199 1.00 0.00 H new ATOM 172 N ALA A 14 -7.243 10.990 -10.998 1.00 0.00 N ATOM 173 CA ALA A 14 -6.921 12.201 -11.775 1.00 0.00 C ATOM 174 C ALA A 14 -6.929 12.043 -13.299 1.00 0.00 C ATOM 175 O ALA A 14 -7.600 12.817 -13.984 1.00 0.00 O ATOM 176 CB ALA A 14 -5.558 12.730 -11.336 1.00 0.00 C ATOM 0 H ALA A 14 -6.473 10.596 -10.458 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.729 12.899 -11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.314 13.626 -11.907 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.587 12.974 -10.274 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.798 11.969 -11.513 1.00 0.00 H new ATOM 182 N VAL A 15 -6.245 11.041 -13.840 1.00 0.00 N ATOM 183 CA VAL A 15 -6.410 10.733 -15.272 1.00 0.00 C ATOM 184 C VAL A 15 -7.617 9.785 -15.473 1.00 0.00 C ATOM 185 O VAL A 15 -8.283 9.832 -16.506 1.00 0.00 O ATOM 186 CB VAL A 15 -5.094 10.190 -15.867 1.00 0.00 C ATOM 187 CG1 VAL A 15 -5.272 9.673 -17.301 1.00 0.00 C ATOM 188 CG2 VAL A 15 -4.027 11.292 -15.915 1.00 0.00 C ATOM 0 H VAL A 15 -5.591 10.441 -13.337 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.634 11.646 -15.823 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.788 9.370 -15.218 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.318 9.302 -17.675 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.004 8.865 -17.308 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.621 10.484 -17.940 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.107 10.889 -16.338 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.382 12.115 -16.536 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.834 11.656 -14.906 1.00 0.00 H new ATOM 198 N THR A 16 -7.888 8.915 -14.501 1.00 0.00 N ATOM 199 CA THR A 16 -8.869 7.834 -14.680 1.00 0.00 C ATOM 200 C THR A 16 -10.344 8.232 -14.484 1.00 0.00 C ATOM 201 O THR A 16 -11.218 7.387 -14.691 1.00 0.00 O ATOM 202 CB THR A 16 -8.480 6.684 -13.748 1.00 0.00 C ATOM 203 OG1 THR A 16 -8.414 7.152 -12.410 1.00 0.00 O ATOM 204 CG2 THR A 16 -7.139 6.063 -14.148 1.00 0.00 C ATOM 0 H THR A 16 -7.446 8.933 -13.582 1.00 0.00 H new ATOM 0 HA THR A 16 -8.824 7.538 -15.728 1.00 0.00 H new ATOM 0 HB THR A 16 -9.244 5.911 -13.831 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.481 7.334 -12.173 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.896 5.250 -13.464 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.207 5.674 -15.164 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.358 6.822 -14.101 1.00 0.00 H new ATOM 212 N THR A 17 -10.671 9.493 -14.179 1.00 0.00 N ATOM 213 CA THR A 17 -12.078 9.936 -14.287 1.00 0.00 C ATOM 214 C THR A 17 -12.507 10.185 -15.762 1.00 0.00 C ATOM 215 O THR A 17 -13.510 10.837 -16.049 1.00 0.00 O ATOM 216 CB THR A 17 -12.264 11.189 -13.408 1.00 0.00 C ATOM 217 OG1 THR A 17 -13.648 11.500 -13.321 1.00 0.00 O ATOM 218 CG2 THR A 17 -11.514 12.423 -13.926 1.00 0.00 C ATOM 0 H THR A 17 -10.013 10.207 -13.866 1.00 0.00 H new ATOM 0 HA THR A 17 -12.733 9.142 -13.928 1.00 0.00 H new ATOM 0 HB THR A 17 -11.844 10.946 -12.432 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.071 11.354 -14.193 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.692 13.265 -13.257 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.446 12.210 -13.965 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.870 12.672 -14.925 1.00 0.00 H new ATOM 226 N THR A 18 -11.752 9.592 -16.684 1.00 0.00 N ATOM 227 CA THR A 18 -12.101 9.524 -18.107 1.00 0.00 C ATOM 228 C THR A 18 -11.854 8.049 -18.491 1.00 0.00 C ATOM 229 O THR A 18 -10.766 7.728 -18.972 1.00 0.00 O ATOM 230 CB THR A 18 -11.304 10.516 -18.958 1.00 0.00 C ATOM 231 OG1 THR A 18 -11.453 11.830 -18.434 1.00 0.00 O ATOM 232 CG2 THR A 18 -11.869 10.488 -20.376 1.00 0.00 C ATOM 0 H THR A 18 -10.866 9.137 -16.463 1.00 0.00 H new ATOM 0 HA THR A 18 -13.134 9.817 -18.293 1.00 0.00 H new ATOM 0 HB THR A 18 -10.249 10.243 -18.953 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.940 12.461 -18.981 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.316 11.188 -21.002 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.774 9.482 -20.786 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.921 10.773 -20.354 1.00 0.00 H new ATOM 240 N PRO A 19 -12.710 7.126 -18.020 1.00 0.00 N ATOM 241 CA PRO A 19 -12.371 5.701 -17.827 1.00 0.00 C ATOM 242 C PRO A 19 -12.142 4.861 -19.100 1.00 0.00 C ATOM 243 O PRO A 19 -12.631 3.737 -19.207 1.00 0.00 O ATOM 244 CB PRO A 19 -13.581 5.227 -17.010 1.00 0.00 C ATOM 245 CG PRO A 19 -14.744 6.129 -17.417 1.00 0.00 C ATOM 246 CD PRO A 19 -14.095 7.477 -17.707 1.00 0.00 C ATOM 0 HA PRO A 19 -11.398 5.577 -17.352 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.807 4.181 -17.219 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.384 5.303 -15.941 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.261 5.740 -18.294 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.484 6.207 -16.620 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.579 7.985 -18.541 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.156 8.145 -16.848 1.00 0.00 H new ATOM 254 N GLU A 20 -11.302 5.335 -20.019 1.00 0.00 N ATOM 255 CA GLU A 20 -10.746 4.450 -21.057 1.00 0.00 C ATOM 256 C GLU A 20 -9.688 3.495 -20.479 1.00 0.00 C ATOM 257 O GLU A 20 -9.720 2.301 -20.771 1.00 0.00 O ATOM 258 CB GLU A 20 -10.100 5.290 -22.162 1.00 0.00 C ATOM 259 CG GLU A 20 -11.118 6.106 -22.966 1.00 0.00 C ATOM 260 CD GLU A 20 -10.433 6.924 -24.050 1.00 0.00 C ATOM 261 OE1 GLU A 20 -10.266 6.413 -25.178 1.00 0.00 O ATOM 262 OE2 GLU A 20 -10.057 8.087 -23.781 1.00 0.00 O ATOM 0 H GLU A 20 -10.993 6.306 -20.072 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.567 3.857 -21.459 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.370 5.967 -21.717 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.554 4.633 -22.838 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.849 5.436 -23.419 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.666 6.770 -22.297 1.00 0.00 H new ATOM 269 N LEU A 21 -8.761 3.996 -19.656 1.00 0.00 N ATOM 270 CA LEU A 21 -7.789 3.121 -18.966 1.00 0.00 C ATOM 271 C LEU A 21 -8.463 2.050 -18.089 1.00 0.00 C ATOM 272 O LEU A 21 -7.966 0.930 -17.964 1.00 0.00 O ATOM 273 CB LEU A 21 -6.939 3.998 -18.029 1.00 0.00 C ATOM 274 CG LEU A 21 -6.021 5.010 -18.728 1.00 0.00 C ATOM 275 CD1 LEU A 21 -5.602 6.091 -17.732 1.00 0.00 C ATOM 276 CD2 LEU A 21 -4.771 4.309 -19.255 1.00 0.00 C ATOM 0 H LEU A 21 -8.658 4.989 -19.449 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.203 2.618 -19.735 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.608 4.541 -17.361 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.326 3.347 -17.406 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.562 5.460 -19.561 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.950 6.810 -18.228 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.488 6.603 -17.357 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.069 5.632 -16.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.127 5.036 -19.749 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.232 3.852 -18.425 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.060 3.537 -19.968 1.00 0.00 H new ATOM 288 N VAL A 22 -9.589 2.403 -17.481 1.00 0.00 N ATOM 289 CA VAL A 22 -10.384 1.434 -16.702 1.00 0.00 C ATOM 290 C VAL A 22 -10.944 0.315 -17.606 1.00 0.00 C ATOM 291 O VAL A 22 -10.771 -0.869 -17.305 1.00 0.00 O ATOM 292 CB VAL A 22 -11.441 2.254 -15.930 1.00 0.00 C ATOM 293 CG1 VAL A 22 -12.655 1.446 -15.478 1.00 0.00 C ATOM 294 CG2 VAL A 22 -10.799 2.894 -14.693 1.00 0.00 C ATOM 0 H VAL A 22 -9.979 3.345 -17.506 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.783 0.887 -15.976 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.800 3.005 -16.634 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.347 2.097 -14.944 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.154 1.022 -16.349 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.331 0.641 -14.818 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.548 3.471 -14.152 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.403 2.113 -14.043 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.988 3.553 -15.004 1.00 0.00 H new ATOM 304 N GLU A 23 -11.568 0.669 -18.726 1.00 0.00 N ATOM 305 CA GLU A 23 -12.008 -0.350 -19.699 1.00 0.00 C ATOM 306 C GLU A 23 -10.847 -1.169 -20.292 1.00 0.00 C ATOM 307 O GLU A 23 -10.987 -2.364 -20.538 1.00 0.00 O ATOM 308 CB GLU A 23 -12.758 0.339 -20.844 1.00 0.00 C ATOM 309 CG GLU A 23 -14.102 0.932 -20.400 1.00 0.00 C ATOM 310 CD GLU A 23 -14.782 1.669 -21.544 1.00 0.00 C ATOM 311 OE1 GLU A 23 -14.516 2.876 -21.731 1.00 0.00 O ATOM 312 OE2 GLU A 23 -15.592 1.044 -22.266 1.00 0.00 O ATOM 0 H GLU A 23 -11.781 1.632 -18.987 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.651 -1.045 -19.158 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.134 1.132 -21.256 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.930 -0.380 -21.645 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.753 0.135 -20.039 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.943 1.616 -19.566 1.00 0.00 H new ATOM 319 N ASN A 24 -9.707 -0.525 -20.520 1.00 0.00 N ATOM 320 CA ASN A 24 -8.498 -1.200 -21.015 1.00 0.00 C ATOM 321 C ASN A 24 -7.924 -2.246 -20.048 1.00 0.00 C ATOM 322 O ASN A 24 -7.642 -3.366 -20.471 1.00 0.00 O ATOM 323 CB ASN A 24 -7.463 -0.091 -21.236 1.00 0.00 C ATOM 324 CG ASN A 24 -7.526 0.520 -22.636 1.00 0.00 C ATOM 325 OD1 ASN A 24 -8.209 1.512 -22.882 1.00 0.00 O ATOM 326 ND2 ASN A 24 -6.806 -0.068 -23.576 1.00 0.00 N ATOM 0 H ASN A 24 -9.588 0.477 -20.369 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.748 -1.752 -21.921 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.618 0.694 -20.496 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.465 -0.495 -21.067 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.810 0.301 -24.527 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.246 -0.890 -23.350 1.00 0.00 H new ATOM 333 N THR A 25 -7.735 -1.911 -18.769 1.00 0.00 N ATOM 334 CA THR A 25 -7.242 -2.925 -17.812 1.00 0.00 C ATOM 335 C THR A 25 -8.252 -4.076 -17.646 1.00 0.00 C ATOM 336 O THR A 25 -7.874 -5.252 -17.632 1.00 0.00 O ATOM 337 CB THR A 25 -6.804 -2.286 -16.480 1.00 0.00 C ATOM 338 OG1 THR A 25 -6.112 -3.260 -15.712 1.00 0.00 O ATOM 339 CG2 THR A 25 -7.943 -1.722 -15.626 1.00 0.00 C ATOM 0 H THR A 25 -7.906 -0.985 -18.376 1.00 0.00 H new ATOM 0 HA THR A 25 -6.341 -3.376 -18.228 1.00 0.00 H new ATOM 0 HB THR A 25 -6.177 -1.437 -16.751 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.827 -2.864 -14.862 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.534 -1.295 -14.710 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.468 -0.947 -16.185 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.639 -2.522 -15.374 1.00 0.00 H new ATOM 347 N LYS A 26 -9.543 -3.743 -17.595 1.00 0.00 N ATOM 348 CA LYS A 26 -10.581 -4.779 -17.619 1.00 0.00 C ATOM 349 C LYS A 26 -10.616 -5.561 -18.946 1.00 0.00 C ATOM 350 O LYS A 26 -10.973 -6.738 -18.938 1.00 0.00 O ATOM 351 CB LYS A 26 -11.948 -4.132 -17.338 1.00 0.00 C ATOM 352 CG LYS A 26 -12.035 -3.451 -15.962 1.00 0.00 C ATOM 353 CD LYS A 26 -11.879 -4.410 -14.771 1.00 0.00 C ATOM 354 CE LYS A 26 -12.962 -5.492 -14.686 1.00 0.00 C ATOM 355 NZ LYS A 26 -14.293 -4.906 -14.466 1.00 0.00 N ATOM 0 H LYS A 26 -9.891 -2.786 -17.538 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.342 -5.505 -16.842 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.158 -3.395 -18.113 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.723 -4.896 -17.406 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.263 -2.684 -15.900 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.996 -2.943 -15.881 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.904 -4.893 -14.834 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.889 -3.830 -13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.968 -6.076 -15.607 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.727 -6.180 -13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.992 -5.667 -14.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.275 -4.314 -13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.555 -4.322 -15.286 1.00 0.00 H new ATOM 369 N ALA A 27 -10.263 -4.951 -20.086 1.00 0.00 N ATOM 370 CA ALA A 27 -10.254 -5.697 -21.359 1.00 0.00 C ATOM 371 C ALA A 27 -9.148 -6.755 -21.444 1.00 0.00 C ATOM 372 O ALA A 27 -9.397 -7.885 -21.867 1.00 0.00 O ATOM 373 CB ALA A 27 -10.158 -4.718 -22.531 1.00 0.00 C ATOM 0 H ALA A 27 -9.987 -3.972 -20.158 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.194 -6.247 -21.409 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.152 -5.273 -23.469 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.015 -4.045 -22.514 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.239 -4.138 -22.446 1.00 0.00 H new ATOM 379 N GLN A 28 -7.931 -6.400 -21.035 1.00 0.00 N ATOM 380 CA GLN A 28 -6.843 -7.389 -20.945 1.00 0.00 C ATOM 381 C GLN A 28 -7.207 -8.543 -20.004 1.00 0.00 C ATOM 382 O GLN A 28 -7.133 -9.710 -20.384 1.00 0.00 O ATOM 383 CB GLN A 28 -5.597 -6.729 -20.355 1.00 0.00 C ATOM 384 CG GLN A 28 -4.921 -5.688 -21.254 1.00 0.00 C ATOM 385 CD GLN A 28 -3.836 -4.978 -20.455 1.00 0.00 C ATOM 386 OE1 GLN A 28 -2.642 -5.094 -20.727 1.00 0.00 O ATOM 387 NE2 GLN A 28 -4.252 -4.263 -19.424 1.00 0.00 N ATOM 0 H GLN A 28 -7.670 -5.452 -20.763 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.670 -7.765 -21.953 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.870 -6.251 -19.414 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.871 -7.507 -20.118 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.489 -6.170 -22.131 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.655 -4.968 -21.616 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.250 -4.187 -19.226 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.575 -3.787 -18.827 1.00 0.00 H new ATOM 396 N ALA A 29 -7.608 -8.202 -18.777 1.00 0.00 N ATOM 397 CA ALA A 29 -8.062 -9.233 -17.826 1.00 0.00 C ATOM 398 C ALA A 29 -9.189 -10.120 -18.390 1.00 0.00 C ATOM 399 O ALA A 29 -9.205 -11.332 -18.178 1.00 0.00 O ATOM 400 CB ALA A 29 -8.513 -8.523 -16.548 1.00 0.00 C ATOM 0 H ALA A 29 -7.630 -7.247 -18.420 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.233 -9.911 -17.623 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.856 -9.261 -15.823 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.677 -7.963 -16.128 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.328 -7.838 -16.781 1.00 0.00 H new ATOM 406 N ALA A 30 -10.140 -9.513 -19.099 1.00 0.00 N ATOM 407 CA ALA A 30 -11.364 -10.233 -19.495 1.00 0.00 C ATOM 408 C ALA A 30 -11.156 -11.217 -20.658 1.00 0.00 C ATOM 409 O ALA A 30 -11.535 -12.384 -20.545 1.00 0.00 O ATOM 410 CB ALA A 30 -12.456 -9.223 -19.853 1.00 0.00 C ATOM 0 H ALA A 30 -10.095 -8.542 -19.410 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.663 -10.837 -18.638 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.361 -9.755 -20.146 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.668 -8.594 -18.988 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.118 -8.599 -20.680 1.00 0.00 H new ATOM 416 N SER A 31 -10.523 -10.789 -21.754 1.00 0.00 N ATOM 417 CA SER A 31 -10.108 -11.736 -22.807 1.00 0.00 C ATOM 418 C SER A 31 -9.169 -12.864 -22.341 1.00 0.00 C ATOM 419 O SER A 31 -9.196 -13.962 -22.899 1.00 0.00 O ATOM 420 CB SER A 31 -9.452 -10.944 -23.945 1.00 0.00 C ATOM 421 OG SER A 31 -8.269 -10.297 -23.493 1.00 0.00 O ATOM 0 H SER A 31 -10.288 -9.814 -21.939 1.00 0.00 H new ATOM 0 HA SER A 31 -11.014 -12.246 -23.135 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.212 -11.615 -24.770 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.153 -10.203 -24.330 1.00 0.00 H new ATOM 0 HG SER A 31 -8.510 -9.518 -22.949 1.00 0.00 H new ATOM 427 N LYS A 32 -8.384 -12.630 -21.290 1.00 0.00 N ATOM 428 CA LYS A 32 -7.621 -13.706 -20.655 1.00 0.00 C ATOM 429 C LYS A 32 -8.514 -14.406 -19.616 1.00 0.00 C ATOM 430 O LYS A 32 -9.593 -14.908 -19.939 1.00 0.00 O ATOM 431 CB LYS A 32 -6.351 -13.058 -20.077 1.00 0.00 C ATOM 432 CG LYS A 32 -5.395 -12.533 -21.156 1.00 0.00 C ATOM 433 CD LYS A 32 -4.157 -11.881 -20.530 1.00 0.00 C ATOM 434 CE LYS A 32 -3.203 -11.298 -21.580 1.00 0.00 C ATOM 435 NZ LYS A 32 -2.596 -12.358 -22.401 1.00 0.00 N ATOM 0 H LYS A 32 -8.259 -11.712 -20.862 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.312 -14.491 -21.346 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.637 -12.235 -19.422 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.827 -13.788 -19.460 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.088 -13.354 -21.804 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.913 -11.808 -21.783 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.472 -11.089 -19.851 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.625 -12.620 -19.932 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.746 -10.604 -22.222 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.419 -10.726 -21.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.893 -11.940 -23.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.130 -13.052 -21.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.335 -12.832 -22.958 1.00 0.00 H new ATOM 449 N LYS A 33 -8.036 -14.491 -18.385 1.00 0.00 N ATOM 450 CA LYS A 33 -8.693 -15.319 -17.354 1.00 0.00 C ATOM 451 C LYS A 33 -8.577 -14.729 -15.937 1.00 0.00 C ATOM 452 O LYS A 33 -8.883 -15.374 -14.936 1.00 0.00 O ATOM 453 CB LYS A 33 -8.027 -16.700 -17.396 1.00 0.00 C ATOM 454 CG LYS A 33 -8.972 -17.858 -17.059 1.00 0.00 C ATOM 455 CD LYS A 33 -10.101 -17.956 -18.087 1.00 0.00 C ATOM 456 CE LYS A 33 -10.845 -19.289 -17.977 1.00 0.00 C ATOM 457 NZ LYS A 33 -11.906 -19.367 -18.990 1.00 0.00 N ATOM 0 H LYS A 33 -7.199 -14.004 -18.064 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.760 -15.368 -17.572 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.611 -16.861 -18.391 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.192 -16.711 -16.696 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.414 -18.794 -17.035 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.392 -17.712 -16.064 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.801 -17.134 -17.939 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.691 -17.849 -19.091 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.146 -20.115 -18.109 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.276 -19.391 -16.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.402 -20.277 -18.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.581 -18.589 -18.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.487 -19.290 -19.939 1.00 0.00 H new ATOM 471 N VAL A 34 -8.194 -13.465 -15.881 1.00 0.00 N ATOM 472 CA VAL A 34 -8.229 -12.686 -14.637 1.00 0.00 C ATOM 473 C VAL A 34 -9.495 -11.813 -14.598 1.00 0.00 C ATOM 474 O VAL A 34 -9.924 -11.263 -15.611 1.00 0.00 O ATOM 475 CB VAL A 34 -6.989 -11.759 -14.585 1.00 0.00 C ATOM 476 CG1 VAL A 34 -6.793 -11.148 -13.197 1.00 0.00 C ATOM 477 CG2 VAL A 34 -5.665 -12.447 -14.943 1.00 0.00 C ATOM 0 H VAL A 34 -7.850 -12.944 -16.688 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.230 -13.370 -13.788 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.212 -11.001 -15.336 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.913 -10.505 -13.204 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.671 -10.559 -12.931 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.655 -11.944 -12.465 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.851 -11.725 -14.881 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.479 -13.264 -14.246 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.723 -12.842 -15.957 1.00 0.00 H new ATOM 487 N LYS A 35 -9.995 -11.554 -13.393 1.00 0.00 N ATOM 488 CA LYS A 35 -10.929 -10.431 -13.198 1.00 0.00 C ATOM 489 C LYS A 35 -10.380 -9.604 -12.041 1.00 0.00 C ATOM 490 O LYS A 35 -10.026 -10.117 -10.978 1.00 0.00 O ATOM 491 CB LYS A 35 -12.353 -10.913 -12.911 1.00 0.00 C ATOM 492 CG LYS A 35 -13.433 -9.832 -12.755 1.00 0.00 C ATOM 493 CD LYS A 35 -14.799 -10.466 -12.484 1.00 0.00 C ATOM 494 CE LYS A 35 -15.877 -9.392 -12.315 1.00 0.00 C ATOM 495 NZ LYS A 35 -17.184 -10.017 -12.052 1.00 0.00 N ATOM 0 H LYS A 35 -9.781 -12.088 -12.550 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.000 -9.834 -14.107 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.655 -11.580 -13.718 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.333 -11.507 -11.997 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.169 -9.163 -11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.481 -9.226 -13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.066 -11.129 -13.307 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.747 -11.080 -11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.612 -8.727 -11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.934 -8.779 -13.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.906 -9.277 -11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.441 -10.633 -12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.129 -10.583 -11.181 1.00 0.00 H new ATOM 509 N PHE A 36 -10.383 -8.302 -12.252 1.00 0.00 N ATOM 510 CA PHE A 36 -10.083 -7.363 -11.157 1.00 0.00 C ATOM 511 C PHE A 36 -11.399 -6.984 -10.481 1.00 0.00 C ATOM 512 O PHE A 36 -12.232 -6.255 -11.020 1.00 0.00 O ATOM 513 CB PHE A 36 -9.253 -6.144 -11.545 1.00 0.00 C ATOM 514 CG PHE A 36 -7.955 -6.441 -12.288 1.00 0.00 C ATOM 515 CD1 PHE A 36 -6.856 -6.905 -11.626 1.00 0.00 C ATOM 516 CD2 PHE A 36 -7.870 -6.171 -13.619 1.00 0.00 C ATOM 517 CE1 PHE A 36 -5.688 -7.088 -12.293 1.00 0.00 C ATOM 518 CE2 PHE A 36 -6.699 -6.351 -14.283 1.00 0.00 C ATOM 519 CZ PHE A 36 -5.609 -6.817 -13.620 1.00 0.00 C ATOM 0 H PHE A 36 -10.584 -7.863 -13.151 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.426 -7.880 -10.457 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.866 -5.492 -12.167 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.013 -5.587 -10.639 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.915 -7.127 -10.571 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.739 -5.811 -14.150 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.818 -7.451 -11.765 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.635 -6.124 -15.337 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.680 -6.972 -14.149 1.00 0.00 H new ATOM 529 N VAL A 37 -11.622 -7.638 -9.351 1.00 0.00 N ATOM 530 CA VAL A 37 -12.967 -7.703 -8.758 1.00 0.00 C ATOM 531 C VAL A 37 -13.240 -6.612 -7.712 1.00 0.00 C ATOM 532 O VAL A 37 -14.396 -6.351 -7.372 1.00 0.00 O ATOM 533 CB VAL A 37 -13.141 -9.124 -8.189 1.00 0.00 C ATOM 534 CG1 VAL A 37 -12.367 -9.377 -6.892 1.00 0.00 C ATOM 535 CG2 VAL A 37 -14.611 -9.444 -7.955 1.00 0.00 C ATOM 0 H VAL A 37 -10.901 -8.130 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.710 -7.503 -9.530 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.723 -9.783 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.542 -10.399 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.302 -9.231 -7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.705 -8.681 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.704 -10.453 -7.553 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.030 -8.731 -7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.152 -9.378 -8.899 1.00 0.00 H new ATOM 545 N ASP A 38 -12.188 -5.978 -7.204 1.00 0.00 N ATOM 546 CA ASP A 38 -12.353 -5.011 -6.108 1.00 0.00 C ATOM 547 C ASP A 38 -11.816 -3.647 -6.541 1.00 0.00 C ATOM 548 O ASP A 38 -11.190 -3.490 -7.591 1.00 0.00 O ATOM 549 CB ASP A 38 -11.651 -5.485 -4.823 1.00 0.00 C ATOM 550 CG ASP A 38 -12.042 -6.898 -4.411 1.00 0.00 C ATOM 551 OD1 ASP A 38 -13.236 -7.136 -4.124 1.00 0.00 O ATOM 552 OD2 ASP A 38 -11.156 -7.777 -4.378 1.00 0.00 O ATOM 0 H ASP A 38 -11.227 -6.108 -7.521 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.416 -4.927 -5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.572 -5.442 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.890 -4.798 -4.012 1.00 0.00 H new ATOM 557 N GLN A 39 -12.100 -2.642 -5.723 1.00 0.00 N ATOM 558 CA GLN A 39 -11.714 -1.269 -6.070 1.00 0.00 C ATOM 559 C GLN A 39 -11.298 -0.534 -4.818 1.00 0.00 C ATOM 560 O GLN A 39 -12.033 -0.461 -3.833 1.00 0.00 O ATOM 561 CB GLN A 39 -12.861 -0.501 -6.729 1.00 0.00 C ATOM 562 CG GLN A 39 -12.536 0.961 -7.061 1.00 0.00 C ATOM 563 CD GLN A 39 -13.646 1.604 -7.887 1.00 0.00 C ATOM 564 OE1 GLN A 39 -13.721 1.437 -9.104 1.00 0.00 O ATOM 565 NE2 GLN A 39 -14.522 2.352 -7.239 1.00 0.00 N ATOM 0 H GLN A 39 -12.586 -2.741 -4.832 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.889 -1.329 -6.780 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.146 -1.015 -7.647 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.727 -0.527 -6.067 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.395 1.523 -6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.596 1.011 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.439 2.476 -6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.281 2.806 -7.748 1.00 0.00 H new ATOM 574 N PHE A 40 -10.094 0.003 -4.883 1.00 0.00 N ATOM 575 CA PHE A 40 -9.591 0.799 -3.761 1.00 0.00 C ATOM 576 C PHE A 40 -9.088 2.109 -4.367 1.00 0.00 C ATOM 577 O PHE A 40 -8.251 2.130 -5.266 1.00 0.00 O ATOM 578 CB PHE A 40 -8.501 0.065 -2.977 1.00 0.00 C ATOM 579 CG PHE A 40 -8.920 -1.116 -2.096 1.00 0.00 C ATOM 580 CD1 PHE A 40 -9.696 -2.143 -2.544 1.00 0.00 C ATOM 581 CD2 PHE A 40 -8.420 -1.176 -0.832 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.005 -3.183 -1.726 1.00 0.00 C ATOM 583 CE2 PHE A 40 -8.725 -2.213 -0.013 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.522 -3.215 -0.460 1.00 0.00 C ATOM 0 H PHE A 40 -9.456 -0.088 -5.673 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.377 0.986 -3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.762 -0.297 -3.692 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.999 0.794 -2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.068 -2.130 -3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.772 -0.388 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.635 -3.984 -2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.334 -2.241 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.772 -4.038 0.193 1.00 0.00 H new ATOM 594 N LEU A 41 -9.665 3.214 -3.930 1.00 0.00 N ATOM 595 CA LEU A 41 -9.279 4.525 -4.454 1.00 0.00 C ATOM 596 C LEU A 41 -8.303 5.174 -3.468 1.00 0.00 C ATOM 597 O LEU A 41 -8.370 4.935 -2.263 1.00 0.00 O ATOM 598 CB LEU A 41 -10.562 5.361 -4.570 1.00 0.00 C ATOM 599 CG LEU A 41 -11.601 4.835 -5.577 1.00 0.00 C ATOM 600 CD1 LEU A 41 -12.788 5.798 -5.642 1.00 0.00 C ATOM 601 CD2 LEU A 41 -11.021 4.670 -6.983 1.00 0.00 C ATOM 0 H LEU A 41 -10.397 3.237 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.794 4.449 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.029 5.418 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.289 6.378 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 41 -11.918 3.852 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.522 5.423 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.247 5.877 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.442 6.781 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.794 4.297 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.662 5.634 -7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.193 3.962 -6.954 1.00 0.00 H new ATOM 613 N ILE A 42 -7.386 6.003 -3.960 1.00 0.00 N ATOM 614 CA ILE A 42 -6.385 6.611 -3.068 1.00 0.00 C ATOM 615 C ILE A 42 -6.980 7.540 -1.991 1.00 0.00 C ATOM 616 O ILE A 42 -6.539 7.500 -0.841 1.00 0.00 O ATOM 617 CB ILE A 42 -5.291 7.242 -3.959 1.00 0.00 C ATOM 618 CG1 ILE A 42 -4.036 7.642 -3.184 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.757 8.482 -4.726 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.507 6.527 -2.282 1.00 0.00 C ATOM 0 H ILE A 42 -7.309 6.268 -4.942 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.925 5.843 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.060 6.441 -4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.257 7.930 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.256 8.519 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.934 8.868 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.590 8.216 -5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.079 9.247 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.615 6.874 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.271 6.254 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.257 5.656 -2.888 1.00 0.00 H new ATOM 632 N ASN A 43 -7.985 8.353 -2.323 1.00 0.00 N ATOM 633 CA ASN A 43 -8.572 9.247 -1.313 1.00 0.00 C ATOM 634 C ASN A 43 -9.611 8.552 -0.410 1.00 0.00 C ATOM 635 O ASN A 43 -9.719 8.893 0.769 1.00 0.00 O ATOM 636 CB ASN A 43 -9.199 10.443 -2.050 1.00 0.00 C ATOM 637 CG ASN A 43 -9.656 11.551 -1.103 1.00 0.00 C ATOM 638 OD1 ASN A 43 -8.851 12.222 -0.459 1.00 0.00 O ATOM 639 ND2 ASN A 43 -10.957 11.763 -1.008 1.00 0.00 N ATOM 0 H ASN A 43 -8.402 8.414 -3.252 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.780 9.573 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.474 10.850 -2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.051 10.097 -2.635 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.311 12.495 -0.392 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.607 11.195 -1.551 1.00 0.00 H new ATOM 646 N LYS A 44 -10.332 7.545 -0.910 1.00 0.00 N ATOM 647 CA LYS A 44 -11.300 6.839 -0.064 1.00 0.00 C ATOM 648 C LYS A 44 -10.645 5.763 0.812 1.00 0.00 C ATOM 649 O LYS A 44 -11.140 5.497 1.907 1.00 0.00 O ATOM 650 CB LYS A 44 -12.399 6.220 -0.935 1.00 0.00 C ATOM 651 CG LYS A 44 -13.295 7.274 -1.598 1.00 0.00 C ATOM 652 CD LYS A 44 -14.565 6.632 -2.168 1.00 0.00 C ATOM 653 CE LYS A 44 -15.425 7.628 -2.957 1.00 0.00 C ATOM 654 NZ LYS A 44 -15.989 8.667 -2.080 1.00 0.00 N ATOM 0 H LYS A 44 -10.268 7.206 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.736 7.574 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.940 5.602 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.014 5.560 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.565 8.038 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.746 7.774 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.288 5.802 -2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.155 6.215 -1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.821 8.095 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.233 7.095 -3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.578 9.314 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.571 8.221 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.216 9.202 -1.634 1.00 0.00 H new ATOM 668 N LEU A 45 -9.543 5.150 0.380 1.00 0.00 N ATOM 669 CA LEU A 45 -8.857 4.181 1.257 1.00 0.00 C ATOM 670 C LEU A 45 -8.135 4.851 2.428 1.00 0.00 C ATOM 671 O LEU A 45 -8.186 4.389 3.568 1.00 0.00 O ATOM 672 CB LEU A 45 -7.770 3.483 0.435 1.00 0.00 C ATOM 673 CG LEU A 45 -7.140 2.265 1.131 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.201 1.231 1.527 1.00 0.00 C ATOM 675 CD2 LEU A 45 -6.096 1.641 0.202 1.00 0.00 C ATOM 0 H LEU A 45 -9.114 5.293 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.618 3.504 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.197 3.164 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.985 4.203 0.206 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.659 2.598 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.719 0.384 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.916 1.687 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.723 0.885 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.645 0.777 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.576 1.326 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.322 2.376 -0.022 1.00 0.00 H new ATOM 687 N ASN A 46 -7.501 5.977 2.130 1.00 0.00 N ATOM 688 CA ASN A 46 -6.814 6.755 3.173 1.00 0.00 C ATOM 689 C ASN A 46 -7.792 7.568 4.051 1.00 0.00 C ATOM 690 O ASN A 46 -7.436 7.967 5.159 1.00 0.00 O ATOM 691 CB ASN A 46 -5.742 7.613 2.483 1.00 0.00 C ATOM 692 CG ASN A 46 -4.849 8.372 3.463 1.00 0.00 C ATOM 693 OD1 ASN A 46 -5.098 9.529 3.799 1.00 0.00 O ATOM 694 ND2 ASN A 46 -3.792 7.732 3.932 1.00 0.00 N ATOM 0 H ASN A 46 -7.443 6.374 1.192 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.329 6.085 3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.120 6.971 1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.230 8.327 1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.163 8.197 4.587 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.605 6.773 3.639 1.00 0.00 H new ATOM 701 N ASP A 47 -9.034 7.770 3.601 1.00 0.00 N ATOM 702 CA ASP A 47 -10.084 8.281 4.500 1.00 0.00 C ATOM 703 C ASP A 47 -10.682 7.155 5.364 1.00 0.00 C ATOM 704 O ASP A 47 -10.996 7.384 6.532 1.00 0.00 O ATOM 705 CB ASP A 47 -11.166 9.019 3.690 1.00 0.00 C ATOM 706 CG ASP A 47 -12.215 9.680 4.576 1.00 0.00 C ATOM 707 OD1 ASP A 47 -11.953 10.783 5.101 1.00 0.00 O ATOM 708 OD2 ASP A 47 -13.309 9.100 4.750 1.00 0.00 O ATOM 0 H ASP A 47 -9.337 7.594 2.643 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.632 8.996 5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.693 9.777 3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.656 8.314 3.018 1.00 0.00 H new ATOM 713 N GLY A 48 -10.850 5.948 4.814 1.00 0.00 N ATOM 714 CA GLY A 48 -11.365 4.823 5.610 1.00 0.00 C ATOM 715 C GLY A 48 -12.693 4.222 5.122 1.00 0.00 C ATOM 716 O GLY A 48 -13.345 3.502 5.877 1.00 0.00 O ATOM 0 H GLY A 48 -10.642 5.724 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.612 4.035 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.494 5.158 6.639 1.00 0.00 H new ATOM 720 N SER A 49 -13.124 4.512 3.895 1.00 0.00 N ATOM 721 CA SER A 49 -14.453 4.063 3.443 1.00 0.00 C ATOM 722 C SER A 49 -14.537 2.583 3.020 1.00 0.00 C ATOM 723 O SER A 49 -15.625 2.009 3.049 1.00 0.00 O ATOM 724 CB SER A 49 -14.876 4.965 2.277 1.00 0.00 C ATOM 725 OG SER A 49 -16.213 4.679 1.889 1.00 0.00 O ATOM 0 H SER A 49 -12.592 5.043 3.206 1.00 0.00 H new ATOM 0 HA SER A 49 -15.124 4.142 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.791 6.012 2.569 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.205 4.815 1.431 1.00 0.00 H new ATOM 0 HG SER A 49 -16.470 5.263 1.145 1.00 0.00 H new ATOM 731 N ILE A 50 -13.430 1.965 2.603 1.00 0.00 N ATOM 732 CA ILE A 50 -13.501 0.626 1.989 1.00 0.00 C ATOM 733 C ILE A 50 -12.781 -0.368 2.902 1.00 0.00 C ATOM 734 O ILE A 50 -11.593 -0.236 3.198 1.00 0.00 O ATOM 735 CB ILE A 50 -12.888 0.602 0.576 1.00 0.00 C ATOM 736 CG1 ILE A 50 -13.479 1.718 -0.301 1.00 0.00 C ATOM 737 CG2 ILE A 50 -13.068 -0.762 -0.102 1.00 0.00 C ATOM 738 CD1 ILE A 50 -12.765 1.803 -1.643 1.00 0.00 C ATOM 0 H ILE A 50 -12.490 2.355 2.674 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.549 0.349 1.879 1.00 0.00 H new ATOM 0 HB ILE A 50 -11.818 0.778 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.541 1.533 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.397 2.673 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.622 -0.736 -1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.580 -1.532 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.131 -0.988 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.206 2.601 -2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.708 2.013 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.869 0.855 -2.171 1.00 0.00 H new ATOM 750 N THR A 51 -13.539 -1.361 3.347 1.00 0.00 N ATOM 751 CA THR A 51 -12.960 -2.441 4.163 1.00 0.00 C ATOM 752 C THR A 51 -13.172 -3.771 3.441 1.00 0.00 C ATOM 753 O THR A 51 -14.301 -4.191 3.186 1.00 0.00 O ATOM 754 CB THR A 51 -13.558 -2.497 5.580 1.00 0.00 C ATOM 755 OG1 THR A 51 -13.275 -1.279 6.256 1.00 0.00 O ATOM 756 CG2 THR A 51 -12.959 -3.659 6.381 1.00 0.00 C ATOM 0 H THR A 51 -14.539 -1.449 3.166 1.00 0.00 H new ATOM 0 HA THR A 51 -11.896 -2.241 4.286 1.00 0.00 H new ATOM 0 HB THR A 51 -14.634 -2.646 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.656 -1.310 7.159 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.398 -3.677 7.379 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.173 -4.599 5.873 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.880 -3.527 6.461 1.00 0.00 H new ATOM 764 N LEU A 52 -12.064 -4.436 3.136 1.00 0.00 N ATOM 765 CA LEU A 52 -12.142 -5.784 2.563 1.00 0.00 C ATOM 766 C LEU A 52 -11.200 -6.727 3.333 1.00 0.00 C ATOM 767 O LEU A 52 -10.458 -6.323 4.231 1.00 0.00 O ATOM 768 CB LEU A 52 -11.806 -5.676 1.068 1.00 0.00 C ATOM 769 CG LEU A 52 -12.403 -6.789 0.200 1.00 0.00 C ATOM 770 CD1 LEU A 52 -13.935 -6.736 0.160 1.00 0.00 C ATOM 771 CD2 LEU A 52 -11.862 -6.637 -1.219 1.00 0.00 C ATOM 0 H LEU A 52 -11.118 -4.078 3.270 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.141 -6.210 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.161 -4.714 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.722 -5.683 0.951 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.119 -7.748 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.311 -7.544 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.329 -6.847 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -14.255 -5.779 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.276 -7.421 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.148 -5.662 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.775 -6.718 -1.205 1.00 0.00 H new ATOM 783 N GLU A 53 -11.260 -8.007 2.989 1.00 0.00 N ATOM 784 CA GLU A 53 -10.582 -9.042 3.782 1.00 0.00 C ATOM 785 C GLU A 53 -9.237 -9.440 3.164 1.00 0.00 C ATOM 786 O GLU A 53 -8.823 -8.962 2.106 1.00 0.00 O ATOM 787 CB GLU A 53 -11.517 -10.259 3.897 1.00 0.00 C ATOM 788 CG GLU A 53 -12.797 -9.953 4.686 1.00 0.00 C ATOM 789 CD GLU A 53 -13.679 -11.189 4.803 1.00 0.00 C ATOM 790 OE1 GLU A 53 -14.534 -11.407 3.918 1.00 0.00 O ATOM 791 OE2 GLU A 53 -13.523 -11.950 5.783 1.00 0.00 O ATOM 0 H GLU A 53 -11.765 -8.358 2.175 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.363 -8.646 4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.785 -10.601 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.984 -11.077 4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.537 -9.593 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.350 -9.154 4.192 1.00 0.00 H new ATOM 798 N ASN A 54 -8.529 -10.298 3.892 1.00 0.00 N ATOM 799 CA ASN A 54 -7.135 -10.622 3.560 1.00 0.00 C ATOM 800 C ASN A 54 -7.114 -11.843 2.633 1.00 0.00 C ATOM 801 O ASN A 54 -7.202 -12.977 3.109 1.00 0.00 O ATOM 802 CB ASN A 54 -6.401 -10.957 4.867 1.00 0.00 C ATOM 803 CG ASN A 54 -6.004 -9.725 5.683 1.00 0.00 C ATOM 804 OD1 ASN A 54 -5.729 -8.648 5.154 1.00 0.00 O ATOM 805 ND2 ASN A 54 -5.959 -9.873 6.995 1.00 0.00 N ATOM 0 H ASN A 54 -8.891 -10.783 4.713 1.00 0.00 H new ATOM 0 HA ASN A 54 -6.651 -9.782 3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.039 -11.596 5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.505 -11.531 4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.693 -9.087 7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.190 -10.773 7.415 1.00 0.00 H new ATOM 812 N ALA A 55 -7.080 -11.633 1.314 1.00 0.00 N ATOM 813 CA ALA A 55 -7.379 -12.753 0.413 1.00 0.00 C ATOM 814 C ALA A 55 -6.488 -12.953 -0.830 1.00 0.00 C ATOM 815 O ALA A 55 -5.268 -12.797 -0.791 1.00 0.00 O ATOM 816 CB ALA A 55 -8.846 -12.551 0.046 1.00 0.00 C ATOM 0 H ALA A 55 -6.860 -10.746 0.862 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.160 -13.683 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.165 -13.345 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.454 -12.578 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.969 -11.586 -0.445 1.00 0.00 H new ATOM 822 N LYS A 56 -7.115 -13.451 -1.900 1.00 0.00 N ATOM 823 CA LYS A 56 -6.393 -14.046 -3.040 1.00 0.00 C ATOM 824 C LYS A 56 -6.249 -13.102 -4.235 1.00 0.00 C ATOM 825 O LYS A 56 -6.297 -13.509 -5.397 1.00 0.00 O ATOM 826 CB LYS A 56 -7.090 -15.333 -3.494 1.00 0.00 C ATOM 827 CG LYS A 56 -7.079 -16.408 -2.410 1.00 0.00 C ATOM 828 CD LYS A 56 -8.035 -17.545 -2.777 1.00 0.00 C ATOM 829 CE LYS A 56 -7.894 -18.719 -1.807 1.00 0.00 C ATOM 830 NZ LYS A 56 -8.820 -19.799 -2.177 1.00 0.00 N ATOM 0 H LYS A 56 -8.130 -13.456 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.387 -14.260 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.120 -15.108 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.597 -15.715 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.069 -16.799 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.371 -15.973 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.062 -17.179 -2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.830 -17.882 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.869 -19.089 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.100 -18.386 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.714 -20.590 -1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.797 -19.445 -2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.604 -20.127 -3.140 1.00 0.00 H new ATOM 844 N TYR A 57 -6.086 -11.827 -3.933 1.00 0.00 N ATOM 845 CA TYR A 57 -6.139 -10.777 -4.962 1.00 0.00 C ATOM 846 C TYR A 57 -4.789 -10.652 -5.697 1.00 0.00 C ATOM 847 O TYR A 57 -4.449 -9.540 -6.094 1.00 0.00 O ATOM 848 CB TYR A 57 -6.541 -9.380 -4.460 1.00 0.00 C ATOM 849 CG TYR A 57 -7.659 -9.344 -3.422 1.00 0.00 C ATOM 850 CD1 TYR A 57 -8.866 -9.918 -3.686 1.00 0.00 C ATOM 851 CD2 TYR A 57 -7.462 -8.716 -2.228 1.00 0.00 C ATOM 852 CE1 TYR A 57 -9.850 -9.904 -2.750 1.00 0.00 C ATOM 853 CE2 TYR A 57 -8.452 -8.693 -1.297 1.00 0.00 C ATOM 854 CZ TYR A 57 -9.638 -9.303 -1.551 1.00 0.00 C ATOM 855 OH TYR A 57 -10.616 -9.326 -0.594 1.00 0.00 O ATOM 0 H TYR A 57 -5.915 -11.483 -2.988 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.931 -11.113 -5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.660 -8.900 -4.034 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.847 -8.781 -5.317 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.041 -10.386 -4.643 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.517 -8.236 -2.021 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.801 -10.371 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.295 -8.189 -0.355 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.208 -9.241 0.293 1.00 0.00 H new ATOM 865 N GLU A 58 -3.947 -11.699 -5.675 1.00 0.00 N ATOM 866 CA GLU A 58 -2.485 -11.582 -5.915 1.00 0.00 C ATOM 867 C GLU A 58 -2.045 -11.048 -7.299 1.00 0.00 C ATOM 868 O GLU A 58 -0.913 -11.256 -7.735 1.00 0.00 O ATOM 869 CB GLU A 58 -1.872 -12.991 -5.774 1.00 0.00 C ATOM 870 CG GLU A 58 -2.201 -13.695 -4.452 1.00 0.00 C ATOM 871 CD GLU A 58 -1.603 -15.094 -4.419 1.00 0.00 C ATOM 872 OE1 GLU A 58 -2.283 -16.051 -4.853 1.00 0.00 O ATOM 873 OE2 GLU A 58 -0.452 -15.247 -3.960 1.00 0.00 O ATOM 0 H GLU A 58 -4.254 -12.654 -5.491 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.142 -10.847 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.223 -13.611 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.789 -12.914 -5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.814 -13.110 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.282 -13.754 -4.326 1.00 0.00 H new ATOM 880 N THR A 59 -2.894 -10.235 -7.913 1.00 0.00 N ATOM 881 CA THR A 59 -2.464 -9.367 -9.020 1.00 0.00 C ATOM 882 C THR A 59 -2.941 -7.956 -8.700 1.00 0.00 C ATOM 883 O THR A 59 -4.129 -7.687 -8.515 1.00 0.00 O ATOM 884 CB THR A 59 -2.911 -9.864 -10.401 1.00 0.00 C ATOM 885 OG1 THR A 59 -2.438 -8.972 -11.400 1.00 0.00 O ATOM 886 CG2 THR A 59 -4.413 -10.069 -10.589 1.00 0.00 C ATOM 0 H THR A 59 -3.881 -10.153 -7.671 1.00 0.00 H new ATOM 0 HA THR A 59 -1.377 -9.382 -9.096 1.00 0.00 H new ATOM 0 HB THR A 59 -2.474 -10.859 -10.491 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.722 -9.289 -12.283 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.608 -10.421 -11.602 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.772 -10.808 -9.873 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.932 -9.124 -10.427 1.00 0.00 H new ATOM 894 N VAL A 60 -1.961 -7.086 -8.501 1.00 0.00 N ATOM 895 CA VAL A 60 -2.215 -5.809 -7.834 1.00 0.00 C ATOM 896 C VAL A 60 -1.850 -4.716 -8.836 1.00 0.00 C ATOM 897 O VAL A 60 -0.693 -4.318 -8.956 1.00 0.00 O ATOM 898 CB VAL A 60 -1.308 -5.795 -6.601 1.00 0.00 C ATOM 899 CG1 VAL A 60 -1.325 -4.463 -5.866 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.734 -6.879 -5.627 1.00 0.00 C ATOM 0 H VAL A 60 -0.993 -7.234 -8.786 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.247 -5.657 -7.519 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.296 -5.969 -6.966 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.663 -4.516 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.985 -3.673 -6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.340 -4.244 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.082 -6.860 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.764 -6.704 -5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.663 -7.853 -6.112 1.00 0.00 H new ATOM 910 N HIS A 61 -2.838 -4.244 -9.575 1.00 0.00 N ATOM 911 CA HIS A 61 -2.571 -3.230 -10.603 1.00 0.00 C ATOM 912 C HIS A 61 -2.907 -1.862 -10.006 1.00 0.00 C ATOM 913 O HIS A 61 -3.981 -1.676 -9.433 1.00 0.00 O ATOM 914 CB HIS A 61 -3.422 -3.567 -11.855 1.00 0.00 C ATOM 915 CG HIS A 61 -2.621 -4.407 -12.829 1.00 0.00 C ATOM 916 ND1 HIS A 61 -2.561 -5.794 -12.816 1.00 0.00 N ATOM 917 CD2 HIS A 61 -1.702 -3.875 -13.730 1.00 0.00 C ATOM 918 CE1 HIS A 61 -1.591 -5.965 -13.774 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.059 -4.881 -14.416 1.00 0.00 N ATOM 0 H HIS A 61 -3.813 -4.532 -9.494 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.526 -3.215 -10.914 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.322 -4.104 -11.557 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.746 -2.647 -12.340 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.079 -6.478 -12.264 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.519 -2.820 -13.871 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.248 -6.959 -14.021 1.00 0.00 H new ATOM 927 N TYR A 62 -2.028 -0.872 -10.199 1.00 0.00 N ATOM 928 CA TYR A 62 -2.380 0.511 -9.834 1.00 0.00 C ATOM 929 C TYR A 62 -2.576 1.246 -11.162 1.00 0.00 C ATOM 930 O TYR A 62 -1.812 1.076 -12.113 1.00 0.00 O ATOM 931 CB TYR A 62 -1.281 1.086 -8.916 1.00 0.00 C ATOM 932 CG TYR A 62 -1.718 1.977 -7.763 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.574 3.017 -7.944 1.00 0.00 C ATOM 934 CD2 TYR A 62 -1.124 1.799 -6.548 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.845 3.866 -6.920 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.395 2.647 -5.524 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.256 3.681 -5.710 1.00 0.00 C ATOM 938 OH TYR A 62 -2.507 4.552 -4.686 1.00 0.00 O ATOM 0 H TYR A 62 -1.095 -0.992 -10.593 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.298 0.607 -9.254 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.720 0.249 -8.499 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.590 1.656 -9.537 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.040 3.169 -8.906 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.435 0.980 -6.401 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.529 4.689 -7.067 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.927 2.500 -4.562 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.199 5.189 -4.961 1.00 0.00 H new ATOM 948 N LEU A 63 -3.556 2.141 -11.194 1.00 0.00 N ATOM 949 CA LEU A 63 -3.728 3.047 -12.322 1.00 0.00 C ATOM 950 C LEU A 63 -3.692 4.497 -11.827 1.00 0.00 C ATOM 951 O LEU A 63 -4.590 4.968 -11.127 1.00 0.00 O ATOM 952 CB LEU A 63 -5.098 2.620 -12.865 1.00 0.00 C ATOM 953 CG LEU A 63 -5.394 3.070 -14.282 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.430 2.360 -15.231 1.00 0.00 C ATOM 955 CD2 LEU A 63 -6.834 2.629 -14.518 1.00 0.00 C ATOM 0 H LEU A 63 -4.244 2.258 -10.450 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.954 3.000 -13.088 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.166 1.533 -12.823 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.872 3.013 -12.206 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.273 4.141 -14.444 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.631 2.674 -16.255 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.404 2.617 -14.967 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.566 1.282 -15.149 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.141 2.913 -15.525 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.906 1.547 -14.408 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.486 3.112 -13.790 1.00 0.00 H new ATOM 967 N THR A 64 -2.607 5.182 -12.162 1.00 0.00 N ATOM 968 CA THR A 64 -2.321 6.506 -11.588 1.00 0.00 C ATOM 969 C THR A 64 -1.667 7.335 -12.717 1.00 0.00 C ATOM 970 O THR A 64 -0.999 6.763 -13.578 1.00 0.00 O ATOM 971 CB THR A 64 -1.385 6.296 -10.385 1.00 0.00 C ATOM 972 OG1 THR A 64 -1.933 5.314 -9.519 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.253 7.572 -9.566 1.00 0.00 C ATOM 0 H THR A 64 -1.907 4.851 -12.826 1.00 0.00 H new ATOM 0 HA THR A 64 -3.205 7.034 -11.230 1.00 0.00 H new ATOM 0 HB THR A 64 -0.414 5.993 -10.777 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.411 4.488 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.586 7.395 -8.722 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.844 8.365 -10.192 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.234 7.870 -9.197 1.00 0.00 H new ATOM 981 N PRO A 65 -1.735 8.674 -12.712 1.00 0.00 N ATOM 982 CA PRO A 65 -0.958 9.504 -13.646 1.00 0.00 C ATOM 983 C PRO A 65 0.537 9.161 -13.718 1.00 0.00 C ATOM 984 O PRO A 65 1.223 9.024 -12.704 1.00 0.00 O ATOM 985 CB PRO A 65 -1.166 10.905 -13.062 1.00 0.00 C ATOM 986 CG PRO A 65 -2.533 10.850 -12.387 1.00 0.00 C ATOM 987 CD PRO A 65 -2.665 9.422 -11.863 1.00 0.00 C ATOM 0 HA PRO A 65 -1.287 9.369 -14.676 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.382 11.155 -12.347 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.141 11.666 -13.842 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.601 11.575 -11.576 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.330 11.086 -13.092 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.395 9.352 -10.809 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.685 9.050 -11.956 1.00 0.00 H new ATOM 995 N GLU A 66 1.018 8.983 -14.944 1.00 0.00 N ATOM 996 CA GLU A 66 2.373 8.440 -15.155 1.00 0.00 C ATOM 997 C GLU A 66 3.479 9.513 -15.226 1.00 0.00 C ATOM 998 O GLU A 66 4.662 9.176 -15.168 1.00 0.00 O ATOM 999 CB GLU A 66 2.322 7.603 -16.445 1.00 0.00 C ATOM 1000 CG GLU A 66 3.574 6.757 -16.714 1.00 0.00 C ATOM 1001 CD GLU A 66 3.811 5.705 -15.637 1.00 0.00 C ATOM 1002 OE1 GLU A 66 3.136 4.651 -15.665 1.00 0.00 O ATOM 1003 OE2 GLU A 66 4.673 5.924 -14.758 1.00 0.00 O ATOM 0 H GLU A 66 0.507 9.200 -15.800 1.00 0.00 H new ATOM 0 HA GLU A 66 2.647 7.834 -14.291 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.457 6.941 -16.398 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.165 8.273 -17.290 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.475 6.265 -17.682 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.444 7.411 -16.776 1.00 0.00 H new ATOM 1010 N ALA A 67 3.126 10.798 -15.278 1.00 0.00 N ATOM 1011 CA ALA A 67 4.137 11.857 -15.133 1.00 0.00 C ATOM 1012 C ALA A 67 4.121 12.410 -13.702 1.00 0.00 C ATOM 1013 O ALA A 67 3.358 11.960 -12.844 1.00 0.00 O ATOM 1014 CB ALA A 67 3.815 12.951 -16.159 1.00 0.00 C ATOM 0 H ALA A 67 2.172 11.130 -15.416 1.00 0.00 H new ATOM 0 HA ALA A 67 5.138 11.467 -15.315 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.548 13.753 -16.077 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.849 12.529 -17.163 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.819 13.349 -15.966 1.00 0.00 H new ATOM 1020 N GLN A 68 5.006 13.363 -13.426 1.00 0.00 N ATOM 1021 CA GLN A 68 5.218 13.800 -12.038 1.00 0.00 C ATOM 1022 C GLN A 68 4.187 14.870 -11.659 1.00 0.00 C ATOM 1023 O GLN A 68 4.354 16.056 -11.940 1.00 0.00 O ATOM 1024 CB GLN A 68 6.646 14.336 -11.858 1.00 0.00 C ATOM 1025 CG GLN A 68 7.706 13.240 -12.022 1.00 0.00 C ATOM 1026 CD GLN A 68 9.111 13.790 -11.796 1.00 0.00 C ATOM 1027 OE1 GLN A 68 9.735 14.354 -12.695 1.00 0.00 O ATOM 1028 NE2 GLN A 68 9.632 13.632 -10.592 1.00 0.00 N ATOM 0 H GLN A 68 5.578 13.841 -14.121 1.00 0.00 H new ATOM 0 HA GLN A 68 5.089 12.944 -11.376 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.829 15.127 -12.586 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.741 14.785 -10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.511 12.433 -11.315 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.637 12.811 -13.022 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.097 13.162 -9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.570 13.981 -10.392 1.00 0.00 H new ATOM 1037 N THR A 69 3.129 14.427 -10.987 1.00 0.00 N ATOM 1038 CA THR A 69 2.172 15.363 -10.374 1.00 0.00 C ATOM 1039 C THR A 69 2.225 15.172 -8.852 1.00 0.00 C ATOM 1040 O THR A 69 2.541 16.108 -8.118 1.00 0.00 O ATOM 1041 CB THR A 69 0.755 15.176 -10.946 1.00 0.00 C ATOM 1042 OG1 THR A 69 0.343 13.819 -10.836 1.00 0.00 O ATOM 1043 CG2 THR A 69 0.677 15.595 -12.417 1.00 0.00 C ATOM 0 H THR A 69 2.908 13.441 -10.850 1.00 0.00 H new ATOM 0 HA THR A 69 2.447 16.391 -10.611 1.00 0.00 H new ATOM 0 HB THR A 69 0.093 15.815 -10.362 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.560 13.721 -11.203 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.339 15.448 -12.784 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.948 16.647 -12.511 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.366 14.989 -13.005 1.00 0.00 H new ATOM 1051 N ASP A 70 1.861 13.982 -8.374 1.00 0.00 N ATOM 1052 CA ASP A 70 1.681 13.773 -6.930 1.00 0.00 C ATOM 1053 C ASP A 70 2.361 12.447 -6.574 1.00 0.00 C ATOM 1054 O ASP A 70 1.749 11.379 -6.625 1.00 0.00 O ATOM 1055 CB ASP A 70 0.189 13.793 -6.552 1.00 0.00 C ATOM 1056 CG ASP A 70 -0.014 13.782 -5.039 1.00 0.00 C ATOM 1057 OD1 ASP A 70 0.034 14.867 -4.417 1.00 0.00 O ATOM 1058 OD2 ASP A 70 -0.221 12.691 -4.466 1.00 0.00 O ATOM 0 H ASP A 70 1.687 13.159 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 70 2.139 14.580 -6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.281 14.681 -6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.309 12.929 -6.992 1.00 0.00 H new ATOM 1063 N ILE A 71 3.654 12.512 -6.258 1.00 0.00 N ATOM 1064 CA ILE A 71 4.453 11.280 -6.110 1.00 0.00 C ATOM 1065 C ILE A 71 4.574 10.866 -4.631 1.00 0.00 C ATOM 1066 O ILE A 71 5.658 10.544 -4.141 1.00 0.00 O ATOM 1067 CB ILE A 71 5.832 11.446 -6.787 1.00 0.00 C ATOM 1068 CG1 ILE A 71 6.627 12.649 -6.238 1.00 0.00 C ATOM 1069 CG2 ILE A 71 5.665 11.555 -8.309 1.00 0.00 C ATOM 1070 CD1 ILE A 71 8.082 12.665 -6.710 1.00 0.00 C ATOM 0 H ILE A 71 4.168 13.379 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 71 3.935 10.467 -6.619 1.00 0.00 H new ATOM 0 HB ILE A 71 6.414 10.555 -6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.139 13.573 -6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.604 12.627 -5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.643 11.672 -8.775 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.188 10.651 -8.688 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.045 12.420 -8.546 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.591 13.534 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.583 11.756 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.111 12.717 -7.798 1.00 0.00 H new ATOM 1082 N LYS A 72 3.456 10.896 -3.906 1.00 0.00 N ATOM 1083 CA LYS A 72 3.498 10.728 -2.447 1.00 0.00 C ATOM 1084 C LYS A 72 2.564 9.578 -2.066 1.00 0.00 C ATOM 1085 O LYS A 72 1.349 9.755 -1.963 1.00 0.00 O ATOM 1086 CB LYS A 72 3.060 12.025 -1.749 1.00 0.00 C ATOM 1087 CG LYS A 72 4.043 13.180 -1.974 1.00 0.00 C ATOM 1088 CD LYS A 72 3.583 14.447 -1.247 1.00 0.00 C ATOM 1089 CE LYS A 72 4.560 15.602 -1.475 1.00 0.00 C ATOM 1090 NZ LYS A 72 4.102 16.806 -0.768 1.00 0.00 N ATOM 0 H LYS A 72 2.522 11.033 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 72 4.515 10.501 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.075 12.315 -2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.961 11.841 -0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.033 12.893 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.133 13.382 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.591 14.731 -1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.497 14.246 -0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.553 15.322 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.646 15.809 -2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.775 17.582 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.164 17.081 -1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.043 16.609 0.251 1.00 0.00 H new ATOM 1104 N PHE A 73 3.136 8.401 -1.832 1.00 0.00 N ATOM 1105 CA PHE A 73 2.349 7.302 -1.253 1.00 0.00 C ATOM 1106 C PHE A 73 2.928 6.991 0.127 1.00 0.00 C ATOM 1107 O PHE A 73 4.146 7.055 0.309 1.00 0.00 O ATOM 1108 CB PHE A 73 2.514 6.125 -2.235 1.00 0.00 C ATOM 1109 CG PHE A 73 1.707 4.852 -1.992 1.00 0.00 C ATOM 1110 CD1 PHE A 73 0.402 4.914 -1.609 1.00 0.00 C ATOM 1111 CD2 PHE A 73 2.260 3.636 -2.271 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.332 3.781 -1.480 1.00 0.00 C ATOM 1113 CE2 PHE A 73 1.511 2.508 -2.175 1.00 0.00 C ATOM 1114 CZ PHE A 73 0.233 2.575 -1.729 1.00 0.00 C ATOM 0 H PHE A 73 4.113 8.180 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 73 1.291 7.529 -1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.266 6.489 -3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.569 5.851 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.052 5.873 -1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.296 3.571 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.367 3.840 -1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.935 1.555 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.334 1.669 -1.572 1.00 0.00 H new ATOM 1124 N PRO A 74 2.124 6.538 1.097 1.00 0.00 N ATOM 1125 CA PRO A 74 2.673 6.203 2.409 1.00 0.00 C ATOM 1126 C PRO A 74 3.274 4.800 2.397 1.00 0.00 C ATOM 1127 O PRO A 74 2.800 3.904 1.695 1.00 0.00 O ATOM 1128 CB PRO A 74 1.446 6.297 3.318 1.00 0.00 C ATOM 1129 CG PRO A 74 0.392 7.084 2.553 1.00 0.00 C ATOM 1130 CD PRO A 74 0.671 6.750 1.099 1.00 0.00 C ATOM 0 HA PRO A 74 3.485 6.854 2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.077 5.304 3.573 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.696 6.795 4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.616 6.789 2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.478 8.154 2.741 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.130 5.861 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.378 7.561 0.432 1.00 0.00 H new ATOM 1138 N LYS A 75 4.298 4.589 3.218 1.00 0.00 N ATOM 1139 CA LYS A 75 4.785 3.214 3.439 1.00 0.00 C ATOM 1140 C LYS A 75 3.719 2.299 4.085 1.00 0.00 C ATOM 1141 O LYS A 75 3.628 1.109 3.776 1.00 0.00 O ATOM 1142 CB LYS A 75 6.066 3.211 4.285 1.00 0.00 C ATOM 1143 CG LYS A 75 7.224 3.957 3.609 1.00 0.00 C ATOM 1144 CD LYS A 75 8.534 3.866 4.400 1.00 0.00 C ATOM 1145 CE LYS A 75 9.128 2.453 4.394 1.00 0.00 C ATOM 1146 NZ LYS A 75 10.412 2.439 5.110 1.00 0.00 N ATOM 0 H LYS A 75 4.798 5.317 3.729 1.00 0.00 H new ATOM 0 HA LYS A 75 5.008 2.807 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.859 3.670 5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.366 2.181 4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.379 3.548 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.952 5.005 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.258 4.563 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.355 4.177 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.434 1.757 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.272 2.115 3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.805 1.476 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.076 3.089 4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.264 2.742 6.094 1.00 0.00 H new ATOM 1160 N LYS A 76 2.914 2.854 4.995 1.00 0.00 N ATOM 1161 CA LYS A 76 1.861 2.070 5.665 1.00 0.00 C ATOM 1162 C LYS A 76 0.788 1.524 4.707 1.00 0.00 C ATOM 1163 O LYS A 76 0.252 0.443 4.950 1.00 0.00 O ATOM 1164 CB LYS A 76 1.190 2.925 6.751 1.00 0.00 C ATOM 1165 CG LYS A 76 2.155 3.310 7.879 1.00 0.00 C ATOM 1166 CD LYS A 76 1.446 4.126 8.965 1.00 0.00 C ATOM 1167 CE LYS A 76 2.395 4.556 10.088 1.00 0.00 C ATOM 1168 NZ LYS A 76 2.882 3.398 10.853 1.00 0.00 N ATOM 0 H LYS A 76 2.966 3.830 5.285 1.00 0.00 H new ATOM 0 HA LYS A 76 2.357 1.203 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.787 3.831 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.347 2.376 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.582 2.409 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.984 3.888 7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.996 5.011 8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.633 3.535 9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.242 5.096 9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.880 5.245 10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.425 3.729 11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.073 2.831 11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.493 2.814 10.247 1.00 0.00 H new ATOM 1182 N LEU A 77 0.501 2.213 3.600 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.459 1.646 2.629 1.00 0.00 C ATOM 1184 C LEU A 77 0.189 0.533 1.789 1.00 0.00 C ATOM 1185 O LEU A 77 -0.498 -0.422 1.441 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.083 2.680 1.668 1.00 0.00 C ATOM 1187 CG LEU A 77 -1.853 3.821 2.338 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.596 4.680 1.308 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -2.867 3.308 3.363 1.00 0.00 C ATOM 0 H LEU A 77 0.894 3.122 3.353 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.264 1.248 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.288 3.110 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.758 2.159 0.989 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.104 4.426 2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.131 5.480 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.879 5.112 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.306 4.060 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.389 4.153 3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.588 2.658 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.347 2.748 4.140 1.00 0.00 H new ATOM 1201 N ILE A 78 1.496 0.576 1.525 1.00 0.00 N ATOM 1202 CA ILE A 78 2.195 -0.569 0.930 1.00 0.00 C ATOM 1203 C ILE A 78 2.156 -1.797 1.874 1.00 0.00 C ATOM 1204 O ILE A 78 2.019 -2.924 1.393 1.00 0.00 O ATOM 1205 CB ILE A 78 3.620 -0.064 0.618 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.690 1.043 -0.436 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.536 -1.220 0.240 1.00 0.00 C ATOM 1208 CD1 ILE A 78 5.070 1.697 -0.545 1.00 0.00 C ATOM 0 H ILE A 78 2.090 1.384 1.711 1.00 0.00 H new ATOM 0 HA ILE A 78 1.720 -0.923 0.015 1.00 0.00 H new ATOM 0 HB ILE A 78 3.968 0.393 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.416 0.628 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.952 1.809 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.534 -0.838 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.589 -1.928 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.142 -1.723 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.046 2.472 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.338 2.142 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.810 0.943 -0.815 1.00 0.00 H new ATOM 1220 N SER A 79 2.247 -1.619 3.198 1.00 0.00 N ATOM 1221 CA SER A 79 2.090 -2.761 4.118 1.00 0.00 C ATOM 1222 C SER A 79 0.661 -3.337 4.113 1.00 0.00 C ATOM 1223 O SER A 79 0.479 -4.553 4.132 1.00 0.00 O ATOM 1224 CB SER A 79 2.480 -2.327 5.535 1.00 0.00 C ATOM 1225 OG SER A 79 3.832 -1.892 5.563 1.00 0.00 O ATOM 0 H SER A 79 2.424 -0.722 3.651 1.00 0.00 H new ATOM 0 HA SER A 79 2.749 -3.557 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.825 -1.522 5.869 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.344 -3.158 6.228 1.00 0.00 H new ATOM 0 HG SER A 79 4.068 -1.616 6.473 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.352 -2.471 4.068 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.754 -2.930 3.951 1.00 0.00 C ATOM 1233 C VAL A 80 -2.037 -3.579 2.580 1.00 0.00 C ATOM 1234 O VAL A 80 -2.796 -4.548 2.499 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.712 -1.753 4.234 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -4.185 -2.140 4.050 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.548 -1.235 5.669 1.00 0.00 C ATOM 0 H VAL A 80 -0.240 -1.458 4.110 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.925 -3.706 4.697 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.446 -0.980 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.817 -1.277 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.350 -2.468 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.437 -2.950 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.236 -0.407 5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.767 -2.038 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.524 -0.892 5.817 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.428 -3.074 1.506 1.00 0.00 N ATOM 1248 CA LEU A 81 -1.524 -3.707 0.189 1.00 0.00 C ATOM 1249 C LEU A 81 -0.971 -5.145 0.212 1.00 0.00 C ATOM 1250 O LEU A 81 -1.612 -6.068 -0.294 1.00 0.00 O ATOM 1251 CB LEU A 81 -0.716 -2.816 -0.775 1.00 0.00 C ATOM 1252 CG LEU A 81 -1.552 -1.945 -1.717 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -2.156 -0.753 -0.971 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -0.634 -1.422 -2.822 1.00 0.00 C ATOM 0 H LEU A 81 -0.861 -2.226 1.522 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.564 -3.791 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.068 -2.167 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.068 -3.454 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.366 -2.543 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.745 -0.151 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.798 -1.114 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.356 -0.144 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.208 -0.798 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.169 -0.832 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.207 -2.263 -3.369 1.00 0.00 H new ATOM 1266 N ALA A 82 0.215 -5.339 0.792 1.00 0.00 N ATOM 1267 CA ALA A 82 0.790 -6.683 0.929 1.00 0.00 C ATOM 1268 C ALA A 82 0.026 -7.632 1.866 1.00 0.00 C ATOM 1269 O ALA A 82 0.091 -8.851 1.690 1.00 0.00 O ATOM 1270 CB ALA A 82 2.199 -6.475 1.490 1.00 0.00 C ATOM 0 H ALA A 82 0.794 -4.590 1.172 1.00 0.00 H new ATOM 0 HA ALA A 82 0.755 -7.163 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.686 -7.442 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.779 -5.864 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.136 -5.971 2.454 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.628 -7.105 2.902 1.00 0.00 N ATOM 1277 CA ASP A 83 -1.116 -7.976 3.994 1.00 0.00 C ATOM 1278 C ASP A 83 -2.419 -8.740 3.706 1.00 0.00 C ATOM 1279 O ASP A 83 -2.776 -9.676 4.424 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.210 -7.139 5.279 1.00 0.00 C ATOM 1281 CG ASP A 83 -1.479 -7.978 6.526 1.00 0.00 C ATOM 1282 OD1 ASP A 83 -0.537 -8.622 7.034 1.00 0.00 O ATOM 1283 OD2 ASP A 83 -2.635 -7.994 7.001 1.00 0.00 O ATOM 0 H ASP A 83 -0.832 -6.112 3.016 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.387 -8.778 4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.280 -6.587 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.005 -6.401 5.167 1.00 0.00 H new ATOM 1288 N SER A 84 -3.090 -8.394 2.621 1.00 0.00 N ATOM 1289 CA SER A 84 -4.161 -9.242 2.091 1.00 0.00 C ATOM 1290 C SER A 84 -3.633 -10.496 1.383 1.00 0.00 C ATOM 1291 O SER A 84 -4.277 -11.544 1.386 1.00 0.00 O ATOM 1292 CB SER A 84 -4.990 -8.371 1.144 1.00 0.00 C ATOM 1293 OG SER A 84 -4.188 -7.829 0.103 1.00 0.00 O ATOM 0 H SER A 84 -2.920 -7.541 2.089 1.00 0.00 H new ATOM 0 HA SER A 84 -4.771 -9.619 2.912 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.796 -8.965 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.456 -7.561 1.706 1.00 0.00 H new ATOM 0 HG SER A 84 -4.745 -7.279 -0.486 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.480 -10.388 0.743 1.00 0.00 N ATOM 1300 CA LEU A 85 -2.116 -11.340 -0.305 1.00 0.00 C ATOM 1301 C LEU A 85 -1.381 -12.570 0.260 1.00 0.00 C ATOM 1302 O LEU A 85 -1.332 -12.810 1.467 1.00 0.00 O ATOM 1303 CB LEU A 85 -1.163 -10.560 -1.238 1.00 0.00 C ATOM 1304 CG LEU A 85 -1.600 -9.148 -1.668 1.00 0.00 C ATOM 1305 CD1 LEU A 85 -0.479 -8.491 -2.475 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -2.888 -9.189 -2.496 1.00 0.00 C ATOM 0 H LEU A 85 -1.786 -9.663 0.924 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.006 -11.716 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.196 -10.478 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.009 -11.155 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.800 -8.563 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.788 -7.491 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.419 -8.422 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.268 -9.091 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.168 -8.176 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.726 -9.788 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.688 -9.632 -1.903 1.00 0.00 H new ATOM 1318 N LYS A 86 -0.852 -13.378 -0.656 1.00 0.00 N ATOM 1319 CA LYS A 86 -0.295 -14.692 -0.315 1.00 0.00 C ATOM 1320 C LYS A 86 1.062 -14.799 -1.050 1.00 0.00 C ATOM 1321 O LYS A 86 1.417 -13.898 -1.814 1.00 0.00 O ATOM 1322 CB LYS A 86 -1.301 -15.774 -0.750 1.00 0.00 C ATOM 1323 CG LYS A 86 -2.494 -15.871 0.207 1.00 0.00 C ATOM 1324 CD LYS A 86 -3.484 -16.954 -0.239 1.00 0.00 C ATOM 1325 CE LYS A 86 -4.631 -17.146 0.760 1.00 0.00 C ATOM 1326 NZ LYS A 86 -5.480 -15.948 0.847 1.00 0.00 N ATOM 0 H LYS A 86 -0.796 -13.147 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.127 -14.826 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.660 -15.551 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.796 -16.739 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.138 -16.094 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.003 -14.908 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.895 -16.688 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.953 -17.898 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.237 -18.001 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.222 -17.375 1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.358 -16.181 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.973 -15.199 1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.710 -15.615 -0.111 1.00 0.00 H new ATOM 1340 N PRO A 87 1.867 -15.853 -0.856 1.00 0.00 N ATOM 1341 CA PRO A 87 3.252 -15.880 -1.371 1.00 0.00 C ATOM 1342 C PRO A 87 3.536 -15.579 -2.860 1.00 0.00 C ATOM 1343 O PRO A 87 4.658 -15.183 -3.182 1.00 0.00 O ATOM 1344 CB PRO A 87 3.695 -17.289 -0.976 1.00 0.00 C ATOM 1345 CG PRO A 87 2.996 -17.527 0.362 1.00 0.00 C ATOM 1346 CD PRO A 87 1.652 -16.808 0.241 1.00 0.00 C ATOM 0 HA PRO A 87 3.802 -15.039 -0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.396 -18.026 -1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.779 -17.356 -0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.858 -18.592 0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.583 -17.129 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.844 -17.504 0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.384 -16.300 1.168 1.00 0.00 H new ATOM 1354 N ASN A 88 2.573 -15.731 -3.773 1.00 0.00 N ATOM 1355 CA ASN A 88 2.761 -15.244 -5.158 1.00 0.00 C ATOM 1356 C ASN A 88 2.014 -13.916 -5.385 1.00 0.00 C ATOM 1357 O ASN A 88 1.357 -13.725 -6.408 1.00 0.00 O ATOM 1358 CB ASN A 88 2.318 -16.317 -6.178 1.00 0.00 C ATOM 1359 CG ASN A 88 3.029 -17.655 -5.988 1.00 0.00 C ATOM 1360 OD1 ASN A 88 2.463 -18.617 -5.472 1.00 0.00 O ATOM 1361 ND2 ASN A 88 4.283 -17.734 -6.396 1.00 0.00 N ATOM 0 H ASN A 88 1.673 -16.175 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 88 3.823 -15.053 -5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.242 -16.469 -6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.509 -15.951 -7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.801 -18.606 -6.286 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.733 -16.923 -6.821 1.00 0.00 H new ATOM 1368 N GLY A 89 2.156 -12.972 -4.454 1.00 0.00 N ATOM 1369 CA GLY A 89 1.621 -11.621 -4.656 1.00 0.00 C ATOM 1370 C GLY A 89 2.497 -10.897 -5.667 1.00 0.00 C ATOM 1371 O GLY A 89 3.711 -11.082 -5.684 1.00 0.00 O ATOM 0 H GLY A 89 2.631 -13.113 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.593 -11.671 -5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.604 -11.076 -3.712 1.00 0.00 H new ATOM 1375 N SER A 90 1.892 -10.122 -6.554 1.00 0.00 N ATOM 1376 CA SER A 90 2.660 -9.549 -7.660 1.00 0.00 C ATOM 1377 C SER A 90 2.023 -8.185 -7.946 1.00 0.00 C ATOM 1378 O SER A 90 0.832 -8.024 -8.209 1.00 0.00 O ATOM 1379 CB SER A 90 2.679 -10.487 -8.862 1.00 0.00 C ATOM 1380 OG SER A 90 3.205 -9.830 -10.007 1.00 0.00 O ATOM 0 H SER A 90 0.902 -9.878 -6.537 1.00 0.00 H new ATOM 0 HA SER A 90 3.713 -9.417 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.281 -11.366 -8.633 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.668 -10.838 -9.071 1.00 0.00 H new ATOM 0 HG SER A 90 3.210 -10.450 -10.766 1.00 0.00 H new ATOM 1386 N LEU A 91 2.886 -7.206 -7.795 1.00 0.00 N ATOM 1387 CA LEU A 91 2.554 -5.795 -7.734 1.00 0.00 C ATOM 1388 C LEU A 91 2.819 -5.272 -9.148 1.00 0.00 C ATOM 1389 O LEU A 91 3.929 -5.465 -9.636 1.00 0.00 O ATOM 1390 CB LEU A 91 3.663 -5.379 -6.731 1.00 0.00 C ATOM 1391 CG LEU A 91 3.639 -4.066 -5.956 1.00 0.00 C ATOM 1392 CD1 LEU A 91 4.262 -2.919 -6.739 1.00 0.00 C ATOM 1393 CD2 LEU A 91 2.295 -3.681 -5.347 1.00 0.00 C ATOM 0 H LEU A 91 3.888 -7.377 -7.707 1.00 0.00 H new ATOM 0 HA LEU A 91 1.554 -5.470 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.721 -6.174 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.601 -5.392 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 91 4.272 -4.267 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.220 -2.007 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.301 -3.156 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.711 -2.771 -7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.393 -2.732 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.552 -3.581 -6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.978 -4.454 -4.647 1.00 0.00 H new ATOM 1405 N ILE A 92 1.897 -4.559 -9.790 1.00 0.00 N ATOM 1406 CA ILE A 92 2.227 -3.886 -11.060 1.00 0.00 C ATOM 1407 C ILE A 92 2.036 -2.390 -10.913 1.00 0.00 C ATOM 1408 O ILE A 92 0.965 -1.834 -11.160 1.00 0.00 O ATOM 1409 CB ILE A 92 1.421 -4.441 -12.231 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.689 -5.939 -12.440 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.735 -3.681 -13.531 1.00 0.00 C ATOM 1412 CD1 ILE A 92 3.179 -6.211 -12.637 1.00 0.00 C ATOM 0 H ILE A 92 0.938 -4.429 -9.469 1.00 0.00 H new ATOM 0 HA ILE A 92 3.274 -4.085 -11.288 1.00 0.00 H new ATOM 0 HB ILE A 92 0.368 -4.305 -11.983 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.325 -6.500 -11.579 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.134 -6.293 -13.309 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.146 -4.098 -14.348 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.486 -2.627 -13.406 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.796 -3.778 -13.762 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.338 -7.280 -12.782 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.535 -5.669 -13.513 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.729 -5.879 -11.756 1.00 0.00 H new ATOM 1424 N GLY A 93 3.090 -1.769 -10.421 1.00 0.00 N ATOM 1425 CA GLY A 93 3.013 -0.323 -10.206 1.00 0.00 C ATOM 1426 C GLY A 93 4.222 0.564 -10.437 1.00 0.00 C ATOM 1427 O GLY A 93 4.272 1.357 -11.377 1.00 0.00 O ATOM 0 H GLY A 93 3.975 -2.210 -10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.214 0.053 -10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.696 -0.169 -9.174 1.00 0.00 H new ATOM 1431 N LEU A 94 5.120 0.563 -9.458 1.00 0.00 N ATOM 1432 CA LEU A 94 5.663 1.848 -8.985 1.00 0.00 C ATOM 1433 C LEU A 94 7.178 1.912 -9.279 1.00 0.00 C ATOM 1434 O LEU A 94 7.788 0.956 -9.759 1.00 0.00 O ATOM 1435 CB LEU A 94 5.439 1.962 -7.462 1.00 0.00 C ATOM 1436 CG LEU A 94 4.040 1.748 -6.854 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.037 0.445 -6.053 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.742 2.856 -5.858 1.00 0.00 C ATOM 0 H LEU A 94 5.480 -0.268 -8.989 1.00 0.00 H new ATOM 0 HA LEU A 94 5.158 2.666 -9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.109 1.246 -6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.770 2.957 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 94 3.309 1.731 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.050 0.287 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.282 -0.388 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.778 0.506 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.752 2.703 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.488 2.841 -5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.772 3.820 -6.366 1.00 0.00 H new ATOM 1450 N SER A 95 7.770 3.091 -9.097 1.00 0.00 N ATOM 1451 CA SER A 95 9.021 3.427 -9.804 1.00 0.00 C ATOM 1452 C SER A 95 10.226 3.608 -8.855 1.00 0.00 C ATOM 1453 O SER A 95 10.607 2.667 -8.161 1.00 0.00 O ATOM 1454 CB SER A 95 8.737 4.632 -10.718 1.00 0.00 C ATOM 1455 OG SER A 95 8.320 5.760 -9.957 1.00 0.00 O ATOM 0 H SER A 95 7.418 3.823 -8.480 1.00 0.00 H new ATOM 0 HA SER A 95 9.335 2.589 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.633 4.882 -11.285 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.965 4.371 -11.441 1.00 0.00 H new ATOM 0 HG SER A 95 8.147 6.514 -10.558 1.00 0.00 H new ATOM 1461 N ASP A 96 10.894 4.766 -8.888 1.00 0.00 N ATOM 1462 CA ASP A 96 12.289 4.835 -8.409 1.00 0.00 C ATOM 1463 C ASP A 96 12.464 4.864 -6.885 1.00 0.00 C ATOM 1464 O ASP A 96 13.231 4.061 -6.355 1.00 0.00 O ATOM 1465 CB ASP A 96 13.014 6.028 -9.054 1.00 0.00 C ATOM 1466 CG ASP A 96 13.093 5.920 -10.576 1.00 0.00 C ATOM 1467 OD1 ASP A 96 13.985 5.207 -11.083 1.00 0.00 O ATOM 1468 OD2 ASP A 96 12.263 6.550 -11.269 1.00 0.00 O ATOM 0 H ASP A 96 10.510 5.647 -9.230 1.00 0.00 H new ATOM 0 HA ASP A 96 12.741 3.894 -8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.497 6.949 -8.786 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.022 6.098 -8.646 1.00 0.00 H new ATOM 1473 N ILE A 97 11.775 5.746 -6.158 1.00 0.00 N ATOM 1474 CA ILE A 97 11.800 5.657 -4.672 1.00 0.00 C ATOM 1475 C ILE A 97 11.242 4.301 -4.182 1.00 0.00 C ATOM 1476 O ILE A 97 11.611 3.738 -3.144 1.00 0.00 O ATOM 1477 CB ILE A 97 10.984 6.789 -4.000 1.00 0.00 C ATOM 1478 CG1 ILE A 97 11.063 8.107 -4.784 1.00 0.00 C ATOM 1479 CG2 ILE A 97 11.464 6.971 -2.554 1.00 0.00 C ATOM 1480 CD1 ILE A 97 10.291 9.262 -4.142 1.00 0.00 C ATOM 0 H ILE A 97 11.211 6.505 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 97 12.847 5.757 -4.386 1.00 0.00 H new ATOM 0 HB ILE A 97 9.933 6.499 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 97 12.109 8.395 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.679 7.942 -5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.892 7.767 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 97 11.320 6.042 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 97 12.522 7.234 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.397 10.156 -4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.237 8.997 -4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.689 9.457 -3.146 1.00 0.00 H new ATOM 1492 N TYR A 98 10.317 3.784 -4.979 1.00 0.00 N ATOM 1493 CA TYR A 98 9.563 2.604 -4.597 1.00 0.00 C ATOM 1494 C TYR A 98 10.403 1.313 -4.762 1.00 0.00 C ATOM 1495 O TYR A 98 10.074 0.288 -4.174 1.00 0.00 O ATOM 1496 CB TYR A 98 8.275 2.614 -5.404 1.00 0.00 C ATOM 1497 CG TYR A 98 7.474 3.896 -5.175 1.00 0.00 C ATOM 1498 CD1 TYR A 98 6.799 4.073 -4.005 1.00 0.00 C ATOM 1499 CD2 TYR A 98 7.501 4.903 -6.092 1.00 0.00 C ATOM 1500 CE1 TYR A 98 6.123 5.226 -3.773 1.00 0.00 C ATOM 1501 CE2 TYR A 98 6.820 6.055 -5.863 1.00 0.00 C ATOM 1502 CZ TYR A 98 6.125 6.215 -4.706 1.00 0.00 C ATOM 1503 OH TYR A 98 5.448 7.382 -4.467 1.00 0.00 O ATOM 0 H TYR A 98 10.073 4.165 -5.893 1.00 0.00 H new ATOM 0 HA TYR A 98 9.311 2.620 -3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.509 2.516 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.667 1.751 -5.130 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.802 3.292 -3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.066 4.785 -7.005 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.583 5.358 -2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.831 6.844 -6.600 1.00 0.00 H new ATOM 0 HH TYR A 98 5.552 7.983 -5.234 1.00 0.00 H new ATOM 1513 N LYS A 99 11.511 1.361 -5.513 1.00 0.00 N ATOM 1514 CA LYS A 99 12.490 0.257 -5.547 1.00 0.00 C ATOM 1515 C LYS A 99 13.040 -0.079 -4.148 1.00 0.00 C ATOM 1516 O LYS A 99 12.955 -1.224 -3.702 1.00 0.00 O ATOM 1517 CB LYS A 99 13.614 0.697 -6.498 1.00 0.00 C ATOM 1518 CG LYS A 99 14.710 -0.363 -6.654 1.00 0.00 C ATOM 1519 CD LYS A 99 15.840 0.140 -7.555 1.00 0.00 C ATOM 1520 CE LYS A 99 16.928 -0.921 -7.723 1.00 0.00 C ATOM 1521 NZ LYS A 99 18.001 -0.413 -8.594 1.00 0.00 N ATOM 0 H LYS A 99 11.756 2.153 -6.108 1.00 0.00 H new ATOM 0 HA LYS A 99 12.013 -0.658 -5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.189 0.920 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.058 1.620 -6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.111 -0.623 -5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.283 -1.273 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.437 0.409 -8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.273 1.045 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.337 -1.191 -6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.500 -1.827 -8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.735 -1.142 -8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.608 -0.177 -9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.419 0.439 -8.169 1.00 0.00 H new ATOM 1535 N VAL A 100 13.591 0.911 -3.449 1.00 0.00 N ATOM 1536 CA VAL A 100 14.047 0.693 -2.060 1.00 0.00 C ATOM 1537 C VAL A 100 12.862 0.373 -1.122 1.00 0.00 C ATOM 1538 O VAL A 100 13.000 -0.418 -0.187 1.00 0.00 O ATOM 1539 CB VAL A 100 14.841 1.923 -1.571 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.369 1.722 -0.144 1.00 0.00 C ATOM 1541 CG2 VAL A 100 16.042 2.218 -2.481 1.00 0.00 C ATOM 0 H VAL A 100 13.735 1.856 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 100 14.707 -0.174 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 100 14.144 2.761 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.923 2.608 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.531 1.561 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 100 16.028 0.854 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.577 3.090 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.711 1.358 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.691 2.416 -3.494 1.00 0.00 H new ATOM 1551 N ASP A 101 11.692 0.958 -1.385 1.00 0.00 N ATOM 1552 CA ASP A 101 10.481 0.590 -0.638 1.00 0.00 C ATOM 1553 C ASP A 101 10.098 -0.889 -0.816 1.00 0.00 C ATOM 1554 O ASP A 101 9.792 -1.572 0.158 1.00 0.00 O ATOM 1555 CB ASP A 101 9.348 1.481 -1.157 1.00 0.00 C ATOM 1556 CG ASP A 101 8.811 2.438 -0.101 1.00 0.00 C ATOM 1557 OD1 ASP A 101 8.100 1.979 0.817 1.00 0.00 O ATOM 1558 OD2 ASP A 101 9.095 3.654 -0.186 1.00 0.00 O ATOM 0 H ASP A 101 11.554 1.676 -2.096 1.00 0.00 H new ATOM 0 HA ASP A 101 10.663 0.733 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.707 2.056 -2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.534 0.851 -1.516 1.00 0.00 H new ATOM 1563 N ALA A 102 10.130 -1.388 -2.053 1.00 0.00 N ATOM 1564 CA ALA A 102 9.920 -2.816 -2.317 1.00 0.00 C ATOM 1565 C ALA A 102 10.942 -3.694 -1.585 1.00 0.00 C ATOM 1566 O ALA A 102 10.593 -4.738 -1.040 1.00 0.00 O ATOM 1567 CB ALA A 102 10.105 -2.993 -3.820 1.00 0.00 C ATOM 0 H ALA A 102 10.299 -0.827 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 102 8.932 -3.118 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.961 -4.041 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.375 -2.382 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.111 -2.683 -4.102 1.00 0.00 H new ATOM 1573 N LEU A 103 12.203 -3.268 -1.561 1.00 0.00 N ATOM 1574 CA LEU A 103 13.252 -4.040 -0.871 1.00 0.00 C ATOM 1575 C LEU A 103 12.943 -4.254 0.616 1.00 0.00 C ATOM 1576 O LEU A 103 13.071 -5.355 1.152 1.00 0.00 O ATOM 1577 CB LEU A 103 14.585 -3.277 -0.993 1.00 0.00 C ATOM 1578 CG LEU A 103 15.826 -4.181 -0.938 1.00 0.00 C ATOM 1579 CD1 LEU A 103 15.941 -5.057 -2.189 1.00 0.00 C ATOM 1580 CD2 LEU A 103 17.084 -3.316 -0.808 1.00 0.00 C ATOM 0 H LEU A 103 12.527 -2.407 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 103 13.306 -5.021 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.591 -2.724 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.647 -2.542 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 103 15.726 -4.836 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.830 -5.683 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.058 -5.690 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.017 -4.422 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.964 -3.958 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.158 -2.650 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 103 17.026 -2.724 0.105 1.00 0.00 H new ATOM 1592 N ILE A 104 12.584 -3.163 1.279 1.00 0.00 N ATOM 1593 CA ILE A 104 12.467 -3.159 2.745 1.00 0.00 C ATOM 1594 C ILE A 104 11.149 -3.763 3.251 1.00 0.00 C ATOM 1595 O ILE A 104 11.113 -4.460 4.265 1.00 0.00 O ATOM 1596 CB ILE A 104 12.736 -1.705 3.163 1.00 0.00 C ATOM 1597 CG1 ILE A 104 13.375 -1.658 4.560 1.00 0.00 C ATOM 1598 CG2 ILE A 104 11.502 -0.793 3.086 1.00 0.00 C ATOM 1599 CD1 ILE A 104 13.930 -0.277 4.916 1.00 0.00 C ATOM 0 H ILE A 104 12.368 -2.270 0.835 1.00 0.00 H new ATOM 0 HA ILE A 104 13.192 -3.820 3.220 1.00 0.00 H new ATOM 0 HB ILE A 104 13.437 -1.304 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.632 -1.948 5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 104 14.180 -2.391 4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 104 11.775 0.215 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 104 11.131 -0.769 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.724 -1.178 3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.368 -0.307 5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.695 0.005 4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.123 0.456 4.896 1.00 0.00 H new ATOM 1611 N ASN A 105 10.078 -3.539 2.497 1.00 0.00 N ATOM 1612 CA ASN A 105 8.787 -4.148 2.775 1.00 0.00 C ATOM 1613 C ASN A 105 8.733 -5.652 2.476 1.00 0.00 C ATOM 1614 O ASN A 105 7.814 -6.322 2.949 1.00 0.00 O ATOM 1615 CB ASN A 105 7.837 -3.367 1.852 1.00 0.00 C ATOM 1616 CG ASN A 105 7.302 -2.088 2.493 1.00 0.00 C ATOM 1617 OD1 ASN A 105 7.817 -0.991 2.273 1.00 0.00 O ATOM 1618 ND2 ASN A 105 6.261 -2.211 3.297 1.00 0.00 N ATOM 0 H ASN A 105 10.083 -2.931 1.678 1.00 0.00 H new ATOM 0 HA ASN A 105 8.535 -4.091 3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.361 -3.114 0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.999 -4.007 1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.867 -1.387 3.751 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.851 -3.130 3.464 1.00 0.00 H new ATOM 1625 N GLY A 106 9.680 -6.205 1.717 1.00 0.00 N ATOM 1626 CA GLY A 106 9.660 -7.658 1.482 1.00 0.00 C ATOM 1627 C GLY A 106 9.147 -8.026 0.090 1.00 0.00 C ATOM 1628 O GLY A 106 8.612 -9.114 -0.116 1.00 0.00 O ATOM 0 H GLY A 106 10.443 -5.698 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.667 -8.056 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.031 -8.134 2.234 1.00 0.00 H new ATOM 1632 N PHE A 107 9.365 -7.138 -0.872 1.00 0.00 N ATOM 1633 CA PHE A 107 9.012 -7.424 -2.267 1.00 0.00 C ATOM 1634 C PHE A 107 10.326 -7.678 -3.025 1.00 0.00 C ATOM 1635 O PHE A 107 11.415 -7.274 -2.618 1.00 0.00 O ATOM 1636 CB PHE A 107 8.244 -6.274 -2.939 1.00 0.00 C ATOM 1637 CG PHE A 107 6.860 -5.972 -2.388 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.699 -5.074 -1.381 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.765 -6.536 -2.973 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.452 -4.758 -0.942 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.520 -6.217 -2.535 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.363 -5.328 -1.521 1.00 0.00 C ATOM 0 H PHE A 107 9.781 -6.219 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 107 8.350 -8.289 -2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.847 -5.369 -2.862 1.00 0.00 H new ATOM 0 HB3 PHE A 107 8.147 -6.503 -4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.563 -4.611 -0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.888 -7.237 -3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.327 -4.054 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.654 -6.671 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.372 -5.074 -1.174 1.00 0.00 H new ATOM 1652 N GLU A 108 10.192 -8.351 -4.158 1.00 0.00 N ATOM 1653 CA GLU A 108 11.354 -8.754 -4.961 1.00 0.00 C ATOM 1654 C GLU A 108 11.138 -8.253 -6.390 1.00 0.00 C ATOM 1655 O GLU A 108 10.281 -8.741 -7.128 1.00 0.00 O ATOM 1656 CB GLU A 108 11.497 -10.284 -4.907 1.00 0.00 C ATOM 1657 CG GLU A 108 12.757 -10.778 -5.627 1.00 0.00 C ATOM 1658 CD GLU A 108 12.870 -12.295 -5.553 1.00 0.00 C ATOM 1659 OE1 GLU A 108 12.209 -12.990 -6.356 1.00 0.00 O ATOM 1660 OE2 GLU A 108 13.623 -12.802 -4.693 1.00 0.00 O ATOM 0 H GLU A 108 9.293 -8.633 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 108 12.277 -8.322 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.526 -10.607 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.619 -10.745 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.731 -10.462 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.639 -10.322 -5.178 1.00 0.00 H new ATOM 1667 N ILE A 109 11.914 -7.244 -6.770 1.00 0.00 N ATOM 1668 CA ILE A 109 11.618 -6.472 -7.976 1.00 0.00 C ATOM 1669 C ILE A 109 12.180 -7.122 -9.242 1.00 0.00 C ATOM 1670 O ILE A 109 13.255 -7.722 -9.256 1.00 0.00 O ATOM 1671 CB ILE A 109 12.151 -5.064 -7.666 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.753 -3.947 -8.627 1.00 0.00 C ATOM 1673 CG2 ILE A 109 13.664 -5.048 -7.607 1.00 0.00 C ATOM 1674 CD1 ILE A 109 12.211 -2.596 -8.093 1.00 0.00 C ATOM 0 H ILE A 109 12.748 -6.941 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 109 10.554 -6.429 -8.207 1.00 0.00 H new ATOM 0 HB ILE A 109 11.677 -4.854 -6.707 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.196 -4.127 -9.606 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.671 -3.944 -8.762 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.009 -4.038 -7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 109 14.005 -5.727 -6.825 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.069 -5.368 -8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.919 -1.811 -8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 109 11.747 -2.411 -7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 109 13.295 -2.597 -7.982 1.00 0.00 H new ATOM 1686 N ILE A 110 11.392 -7.012 -10.304 1.00 0.00 N ATOM 1687 CA ILE A 110 11.714 -7.675 -11.575 1.00 0.00 C ATOM 1688 C ILE A 110 11.206 -6.799 -12.725 1.00 0.00 C ATOM 1689 O ILE A 110 10.081 -6.289 -12.690 1.00 0.00 O ATOM 1690 CB ILE A 110 11.118 -9.098 -11.672 1.00 0.00 C ATOM 1691 CG1 ILE A 110 9.591 -9.180 -11.465 1.00 0.00 C ATOM 1692 CG2 ILE A 110 11.853 -10.055 -10.721 1.00 0.00 C ATOM 1693 CD1 ILE A 110 9.025 -10.568 -11.775 1.00 0.00 C ATOM 0 H ILE A 110 10.526 -6.473 -10.317 1.00 0.00 H new ATOM 0 HA ILE A 110 12.796 -7.793 -11.635 1.00 0.00 H new ATOM 0 HB ILE A 110 11.277 -9.408 -12.705 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.354 -8.918 -10.434 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.102 -8.443 -12.102 1.00 0.00 H new ATOM 0 HG21 ILE A 110 11.420 -11.052 -10.802 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.909 -10.095 -10.989 1.00 0.00 H new ATOM 0 HG23 ILE A 110 11.752 -9.698 -9.696 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.947 -10.566 -11.612 1.00 0.00 H new ATOM 0 HD12 ILE A 110 9.234 -10.823 -12.814 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.490 -11.305 -11.120 1.00 0.00 H new ATOM 1705 N ASN A 111 12.044 -6.624 -13.752 1.00 0.00 N ATOM 1706 CA ASN A 111 11.625 -5.823 -14.910 1.00 0.00 C ATOM 1707 C ASN A 111 11.788 -6.564 -16.239 1.00 0.00 C ATOM 1708 O ASN A 111 12.869 -6.743 -16.799 1.00 0.00 O ATOM 1709 CB ASN A 111 12.283 -4.450 -14.934 1.00 0.00 C ATOM 1710 CG ASN A 111 11.698 -3.487 -15.970 1.00 0.00 C ATOM 1711 OD1 ASN A 111 10.614 -3.686 -16.517 1.00 0.00 O ATOM 1712 ND2 ASN A 111 12.416 -2.413 -16.246 1.00 0.00 N ATOM 0 H ASN A 111 12.986 -7.011 -13.808 1.00 0.00 H new ATOM 0 HA ASN A 111 10.555 -5.657 -14.785 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.193 -4.000 -13.945 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.348 -4.574 -15.132 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.074 -1.731 -16.923 1.00 0.00 H new ATOM 0 HD22 ASN A 111 13.312 -2.266 -15.782 1.00 0.00 H new ATOM 1719 N GLU A 112 10.637 -7.058 -16.653 1.00 0.00 N ATOM 1720 CA GLU A 112 10.511 -7.979 -17.789 1.00 0.00 C ATOM 1721 C GLU A 112 9.322 -7.389 -18.566 1.00 0.00 C ATOM 1722 O GLU A 112 8.193 -7.751 -18.239 1.00 0.00 O ATOM 1723 CB GLU A 112 10.205 -9.401 -17.302 1.00 0.00 C ATOM 1724 CG GLU A 112 11.407 -10.055 -16.610 1.00 0.00 C ATOM 1725 CD GLU A 112 11.078 -11.470 -16.153 1.00 0.00 C ATOM 1726 OE1 GLU A 112 11.211 -12.412 -16.964 1.00 0.00 O ATOM 1727 OE2 GLU A 112 10.687 -11.647 -14.979 1.00 0.00 O ATOM 0 H GLU A 112 9.746 -6.834 -16.210 1.00 0.00 H new ATOM 0 HA GLU A 112 11.417 -8.065 -18.388 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.363 -9.372 -16.610 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.900 -10.014 -18.150 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.255 -10.079 -17.295 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.707 -9.454 -15.752 1.00 0.00 H new ATOM 1734 N PRO A 113 9.489 -6.438 -19.503 1.00 0.00 N ATOM 1735 CA PRO A 113 8.783 -5.141 -19.391 1.00 0.00 C ATOM 1736 C PRO A 113 7.251 -5.051 -19.239 1.00 0.00 C ATOM 1737 O PRO A 113 6.565 -4.322 -19.958 1.00 0.00 O ATOM 1738 CB PRO A 113 9.279 -4.409 -20.632 1.00 0.00 C ATOM 1739 CG PRO A 113 10.750 -4.802 -20.705 1.00 0.00 C ATOM 1740 CD PRO A 113 10.797 -6.224 -20.142 1.00 0.00 C ATOM 0 HA PRO A 113 9.019 -4.724 -18.412 1.00 0.00 H new ATOM 0 HB2 PRO A 113 8.735 -4.717 -21.525 1.00 0.00 H new ATOM 0 HB3 PRO A 113 9.155 -3.330 -20.539 1.00 0.00 H new ATOM 0 HG2 PRO A 113 11.119 -4.769 -21.730 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.371 -4.123 -20.121 1.00 0.00 H new ATOM 0 HD2 PRO A 113 10.971 -6.954 -20.933 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.608 -6.334 -19.422 1.00 0.00 H new ATOM 1748 N ASP A 114 6.756 -5.633 -18.156 1.00 0.00 N ATOM 1749 CA ASP A 114 5.634 -5.055 -17.409 1.00 0.00 C ATOM 1750 C ASP A 114 6.196 -4.905 -15.991 1.00 0.00 C ATOM 1751 O ASP A 114 6.496 -5.906 -15.335 1.00 0.00 O ATOM 1752 CB ASP A 114 4.422 -5.991 -17.436 1.00 0.00 C ATOM 1753 CG ASP A 114 3.738 -6.022 -18.797 1.00 0.00 C ATOM 1754 OD1 ASP A 114 2.894 -5.141 -19.068 1.00 0.00 O ATOM 1755 OD2 ASP A 114 4.042 -6.928 -19.604 1.00 0.00 O ATOM 0 H ASP A 114 7.111 -6.508 -17.769 1.00 0.00 H new ATOM 0 HA ASP A 114 5.280 -4.111 -17.823 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.740 -6.999 -17.170 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.704 -5.673 -16.680 1.00 0.00 H new ATOM 1760 N TYR A 115 6.528 -3.679 -15.584 1.00 0.00 N ATOM 1761 CA TYR A 115 7.456 -3.521 -14.459 1.00 0.00 C ATOM 1762 C TYR A 115 6.785 -3.630 -13.092 1.00 0.00 C ATOM 1763 O TYR A 115 5.929 -2.805 -12.758 1.00 0.00 O ATOM 1764 CB TYR A 115 8.207 -2.199 -14.589 1.00 0.00 C ATOM 1765 CG TYR A 115 9.191 -1.969 -13.450 1.00 0.00 C ATOM 1766 CD1 TYR A 115 10.007 -2.956 -12.981 1.00 0.00 C ATOM 1767 CD2 TYR A 115 9.209 -0.748 -12.861 1.00 0.00 C ATOM 1768 CE1 TYR A 115 10.900 -2.686 -11.994 1.00 0.00 C ATOM 1769 CE2 TYR A 115 10.100 -0.474 -11.876 1.00 0.00 C ATOM 1770 CZ TYR A 115 10.978 -1.430 -11.476 1.00 0.00 C ATOM 1771 OH TYR A 115 11.941 -1.117 -10.556 1.00 0.00 O ATOM 0 H TYR A 115 6.185 -2.811 -15.996 1.00 0.00 H new ATOM 0 HA TYR A 115 8.158 -4.353 -14.511 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.744 -2.183 -15.537 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.489 -1.379 -14.615 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.943 -3.952 -13.394 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.509 0.011 -13.178 1.00 0.00 H new ATOM 0 HE1 TYR A 115 11.547 -3.466 -11.621 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.111 0.501 -11.411 1.00 0.00 H new ATOM 0 HH TYR A 115 11.850 -0.177 -10.295 1.00 0.00 H new ATOM 1781 N CYS A 116 7.091 -4.708 -12.360 1.00 0.00 N ATOM 1782 CA CYS A 116 6.658 -4.811 -10.963 1.00 0.00 C ATOM 1783 C CYS A 116 7.631 -5.573 -10.074 1.00 0.00 C ATOM 1784 O CYS A 116 8.835 -5.702 -10.292 1.00 0.00 O ATOM 1785 CB CYS A 116 5.279 -5.487 -10.926 1.00 0.00 C ATOM 1786 SG CYS A 116 5.382 -7.276 -11.216 1.00 0.00 S ATOM 0 H CYS A 116 7.626 -5.506 -12.703 1.00 0.00 H new ATOM 0 HA CYS A 116 6.615 -3.798 -10.562 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.813 -5.304 -9.958 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.635 -5.035 -11.680 1.00 0.00 H new ATOM 0 HG CYS A 116 5.461 -7.896 -10.076 1.00 0.00 H new ATOM 1792 N TRP A 117 6.977 -6.049 -9.019 1.00 0.00 N ATOM 1793 CA TRP A 117 7.601 -6.613 -7.822 1.00 0.00 C ATOM 1794 C TRP A 117 6.740 -7.852 -7.538 1.00 0.00 C ATOM 1795 O TRP A 117 5.533 -7.840 -7.762 1.00 0.00 O ATOM 1796 CB TRP A 117 7.451 -5.644 -6.630 1.00 0.00 C ATOM 1797 CG TRP A 117 7.870 -4.205 -6.841 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.569 -3.665 -7.910 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.564 -3.147 -6.038 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.699 -2.289 -7.807 1.00 0.00 N ATOM 1801 CE2 TRP A 117 8.073 -2.003 -6.606 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.891 -3.115 -4.861 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 8.004 -0.822 -5.935 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.764 -1.928 -4.226 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.372 -0.812 -4.722 1.00 0.00 C ATOM 0 H TRP A 117 5.958 -6.054 -8.970 1.00 0.00 H new ATOM 0 HA TRP A 117 8.663 -6.815 -7.958 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.405 -5.648 -6.323 1.00 0.00 H new ATOM 0 HB3 TRP A 117 8.029 -6.044 -5.797 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.966 -4.249 -8.728 1.00 0.00 H new ATOM 0 HE1 TRP A 117 9.147 -1.644 -8.458 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.467 -4.015 -4.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.434 0.079 -6.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.178 -1.863 -3.321 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.354 0.100 -4.144 1.00 0.00 H new ATOM 1816 N ILE A 118 7.299 -8.894 -6.960 1.00 0.00 N ATOM 1817 CA ILE A 118 6.460 -9.956 -6.376 1.00 0.00 C ATOM 1818 C ILE A 118 6.996 -10.200 -4.959 1.00 0.00 C ATOM 1819 O ILE A 118 8.200 -10.177 -4.703 1.00 0.00 O ATOM 1820 CB ILE A 118 6.371 -11.195 -7.289 1.00 0.00 C ATOM 1821 CG1 ILE A 118 6.117 -12.520 -6.552 1.00 0.00 C ATOM 1822 CG2 ILE A 118 7.577 -11.414 -8.193 1.00 0.00 C ATOM 1823 CD1 ILE A 118 5.208 -13.388 -7.410 1.00 0.00 C ATOM 0 H ILE A 118 8.305 -9.041 -6.875 1.00 0.00 H new ATOM 0 HA ILE A 118 5.414 -9.661 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 118 5.503 -10.939 -7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.060 -13.033 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.655 -12.331 -5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.422 -12.308 -8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.702 -10.552 -8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.471 -11.539 -7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.019 -14.332 -6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.263 -12.871 -7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.690 -13.584 -8.368 1.00 0.00 H new ATOM 1835 N LYS A 119 6.084 -10.490 -4.040 1.00 0.00 N ATOM 1836 CA LYS A 119 6.453 -10.553 -2.619 1.00 0.00 C ATOM 1837 C LYS A 119 6.932 -11.953 -2.219 1.00 0.00 C ATOM 1838 O LYS A 119 6.346 -12.968 -2.600 1.00 0.00 O ATOM 1839 CB LYS A 119 5.230 -10.119 -1.807 1.00 0.00 C ATOM 1840 CG LYS A 119 5.560 -9.777 -0.349 1.00 0.00 C ATOM 1841 CD LYS A 119 4.340 -9.344 0.472 1.00 0.00 C ATOM 1842 CE LYS A 119 3.396 -10.486 0.866 1.00 0.00 C ATOM 1843 NZ LYS A 119 2.554 -10.928 -0.257 1.00 0.00 N ATOM 0 H LYS A 119 5.102 -10.683 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 119 7.291 -9.886 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.776 -9.250 -2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.488 -10.917 -1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.016 -10.646 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.301 -8.978 -0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.686 -8.848 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.777 -8.606 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.982 -11.329 1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.759 -10.160 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.617 -11.205 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.449 -10.150 -0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.000 -11.742 -0.726 1.00 0.00 H new ATOM 1857 N MET A 120 8.032 -11.993 -1.473 1.00 0.00 N ATOM 1858 CA MET A 120 8.717 -13.264 -1.199 1.00 0.00 C ATOM 1859 C MET A 120 8.488 -13.656 0.271 1.00 0.00 C ATOM 1860 O MET A 120 8.292 -12.802 1.138 1.00 0.00 O ATOM 1861 CB MET A 120 10.204 -13.058 -1.530 1.00 0.00 C ATOM 1862 CG MET A 120 11.016 -14.352 -1.494 1.00 0.00 C ATOM 1863 SD MET A 120 12.717 -14.001 -1.972 1.00 0.00 S ATOM 1864 CE MET A 120 13.411 -15.658 -1.827 1.00 0.00 C ATOM 0 H MET A 120 8.468 -11.174 -1.049 1.00 0.00 H new ATOM 0 HA MET A 120 8.330 -14.081 -1.807 1.00 0.00 H new ATOM 0 HB2 MET A 120 10.290 -12.611 -2.520 1.00 0.00 H new ATOM 0 HB3 MET A 120 10.632 -12.349 -0.821 1.00 0.00 H new ATOM 0 HG2 MET A 120 10.989 -14.784 -0.494 1.00 0.00 H new ATOM 0 HG3 MET A 120 10.580 -15.087 -2.171 1.00 0.00 H new ATOM 0 HE1 MET A 120 14.469 -15.633 -2.088 1.00 0.00 H new ATOM 0 HE2 MET A 120 13.298 -16.011 -0.802 1.00 0.00 H new ATOM 0 HE3 MET A 120 12.886 -16.333 -2.503 1.00 0.00 H new TER 1874 MET A 120