USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 428 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 43 ASN : amide:sc= -3.49 K(o=-2.4,f=-4.1!) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 50 THR OG1 : rot -99:sc= 1.08 USER MOD Set 2.1: A 31 GLN : amide:sc= 1.09 K(o=2.1,f=-2.6!) USER MOD Set 2.2: A 33 TYR OH : rot -60:sc= 0.992 USER MOD Single : A 4 MET CE :methyl -163:sc= -1.76 (180deg=-3.54) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 30:sc= -1.9 USER MOD Single : A 16 TYR OH : rot -162:sc= 0.266 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.674 K(o=-0.67,f=-2.6!) USER MOD Single : A 35 ASN : amide:sc= -7.83! C(o=-7.8!,f=-22!) USER MOD Single : A 38 MET CE :methyl -137:sc= -0.14 (180deg=-0.928) USER MOD Single : A 41 HIS : no HD1:sc= -0.0528 X(o=-0.053,f=-0.32) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.6!) USER MOD Single : A 51 HIS :FLIP no HE2:sc= -0.262 F(o=-1,f=-0.26) USER MOD Single : A 54 SER OG : rot 180:sc= -0.128 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 -15.743 -8.225 6.346 1.00 0.00 N ATOM 42 CA MET A 4 -16.796 -7.233 6.702 1.00 0.00 C ATOM 43 C MET A 4 -16.141 -5.888 7.014 1.00 0.00 C ATOM 44 O MET A 4 -16.763 -4.847 6.930 1.00 0.00 O ATOM 45 CB MET A 4 -17.566 -7.726 7.929 1.00 0.00 C ATOM 46 CG MET A 4 -18.230 -9.066 7.608 1.00 0.00 C ATOM 47 SD MET A 4 -19.253 -9.585 9.007 1.00 0.00 S ATOM 48 CE MET A 4 -17.905 -9.862 10.184 1.00 0.00 C ATOM 0 HA MET A 4 -17.485 -7.115 5.866 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.889 -7.837 8.776 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.320 -6.994 8.217 1.00 0.00 H new ATOM 0 HG2 MET A 4 -18.842 -8.975 6.711 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.470 -9.820 7.400 1.00 0.00 H new ATOM 0 HE1 MET A 4 -18.266 -10.468 11.015 1.00 0.00 H new ATOM 0 HE2 MET A 4 -17.087 -10.381 9.685 1.00 0.00 H new ATOM 0 HE3 MET A 4 -17.550 -8.904 10.562 1.00 0.00 H new ATOM 58 N CYS A 5 -14.887 -5.900 7.377 1.00 0.00 N ATOM 59 CA CYS A 5 -14.189 -4.623 7.698 1.00 0.00 C ATOM 60 C CYS A 5 -13.487 -4.092 6.446 1.00 0.00 C ATOM 61 O CYS A 5 -12.975 -2.991 6.430 1.00 0.00 O ATOM 62 CB CYS A 5 -13.149 -4.872 8.791 1.00 0.00 C ATOM 63 SG CYS A 5 -13.823 -6.012 10.018 1.00 0.00 S ATOM 0 H CYS A 5 -14.315 -6.740 7.465 1.00 0.00 H new ATOM 0 HA CYS A 5 -14.918 -3.891 8.045 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.240 -5.287 8.355 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -12.874 -3.931 9.267 1.00 0.00 H new ATOM 68 N LYS A 6 -13.456 -4.869 5.398 1.00 0.00 N ATOM 69 CA LYS A 6 -12.783 -4.411 4.151 1.00 0.00 C ATOM 70 C LYS A 6 -13.465 -3.144 3.631 1.00 0.00 C ATOM 71 O LYS A 6 -12.870 -2.355 2.924 1.00 0.00 O ATOM 72 CB LYS A 6 -12.873 -5.512 3.093 1.00 0.00 C ATOM 73 CG LYS A 6 -12.046 -6.718 3.540 1.00 0.00 C ATOM 74 CD LYS A 6 -11.871 -7.681 2.365 1.00 0.00 C ATOM 75 CE LYS A 6 -10.896 -8.793 2.756 1.00 0.00 C ATOM 76 NZ LYS A 6 -11.237 -10.037 2.011 1.00 0.00 N ATOM 0 H LYS A 6 -13.868 -5.801 5.352 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.736 -4.193 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.912 -5.805 2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.507 -5.142 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.072 -6.390 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.541 -7.225 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.834 -8.109 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.496 -7.144 1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.873 -8.490 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.946 -8.974 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.574 -10.793 2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.207 -10.328 2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.168 -9.859 0.989 1.00 0.00 H new ATOM 90 N ASP A 7 -14.709 -2.942 3.969 1.00 0.00 N ATOM 91 CA ASP A 7 -15.419 -1.724 3.485 1.00 0.00 C ATOM 92 C ASP A 7 -16.538 -1.351 4.460 1.00 0.00 C ATOM 93 O ASP A 7 -17.702 -1.360 4.113 1.00 0.00 O ATOM 94 CB ASP A 7 -16.022 -2.001 2.106 1.00 0.00 C ATOM 95 CG ASP A 7 -16.718 -0.740 1.591 1.00 0.00 C ATOM 96 OD1 ASP A 7 -16.591 0.289 2.236 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.366 -0.823 0.561 1.00 0.00 O ATOM 0 H ASP A 7 -15.263 -3.565 4.557 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.710 -0.899 3.419 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -15.241 -2.308 1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.735 -2.823 2.168 1.00 0.00 H new ATOM 102 N TYR A 8 -16.200 -1.019 5.676 1.00 0.00 N ATOM 103 CA TYR A 8 -17.252 -0.643 6.662 1.00 0.00 C ATOM 104 C TYR A 8 -16.980 0.771 7.186 1.00 0.00 C ATOM 105 O TYR A 8 -16.010 1.403 6.821 1.00 0.00 O ATOM 106 CB TYR A 8 -17.247 -1.640 7.827 1.00 0.00 C ATOM 107 CG TYR A 8 -16.102 -1.335 8.764 1.00 0.00 C ATOM 108 CD1 TYR A 8 -14.784 -1.587 8.366 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.359 -0.795 10.031 1.00 0.00 C ATOM 110 CE1 TYR A 8 -13.723 -1.302 9.234 1.00 0.00 C ATOM 111 CE2 TYR A 8 -15.298 -0.509 10.898 1.00 0.00 C ATOM 112 CZ TYR A 8 -13.981 -0.763 10.500 1.00 0.00 C ATOM 113 OH TYR A 8 -12.936 -0.482 11.356 1.00 0.00 O ATOM 0 H TYR A 8 -15.243 -0.992 6.029 1.00 0.00 H new ATOM 0 HA TYR A 8 -18.228 -0.665 6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -18.193 -1.587 8.366 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -17.155 -2.657 7.446 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.585 -2.002 7.389 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.376 -0.599 10.339 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.706 -1.498 8.927 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.496 -0.092 11.874 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.139 -0.252 10.835 1.00 0.00 H new ATOM 123 N ARG A 9 -17.829 1.268 8.043 1.00 0.00 N ATOM 124 CA ARG A 9 -17.619 2.635 8.593 1.00 0.00 C ATOM 125 C ARG A 9 -18.206 2.708 10.003 1.00 0.00 C ATOM 126 O ARG A 9 -19.217 2.101 10.296 1.00 0.00 O ATOM 127 CB ARG A 9 -18.315 3.659 7.695 1.00 0.00 C ATOM 128 CG ARG A 9 -17.481 3.878 6.432 1.00 0.00 C ATOM 129 CD ARG A 9 -17.997 5.111 5.688 1.00 0.00 C ATOM 130 NE ARG A 9 -19.472 4.999 5.509 1.00 0.00 N ATOM 131 CZ ARG A 9 -20.220 6.066 5.568 1.00 0.00 C ATOM 132 NH1 ARG A 9 -21.011 6.252 6.590 1.00 0.00 N ATOM 133 NH2 ARG A 9 -20.176 6.948 4.608 1.00 0.00 N ATOM 0 H ARG A 9 -18.660 0.785 8.386 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.552 2.854 8.631 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.312 3.308 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.441 4.601 8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.432 4.011 6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.539 3.001 5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.755 6.015 6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.507 5.196 4.718 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.897 4.087 5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -21.044 5.563 7.342 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -21.596 7.086 6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.556 6.803 3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.761 7.782 4.655 1.00 0.00 H new ATOM 147 N VAL A 10 -17.581 3.442 10.882 1.00 0.00 N ATOM 148 CA VAL A 10 -18.107 3.544 12.271 1.00 0.00 C ATOM 149 C VAL A 10 -17.992 4.988 12.763 1.00 0.00 C ATOM 150 O VAL A 10 -16.961 5.619 12.637 1.00 0.00 O ATOM 151 CB VAL A 10 -17.298 2.625 13.187 1.00 0.00 C ATOM 152 CG1 VAL A 10 -17.750 2.823 14.634 1.00 0.00 C ATOM 153 CG2 VAL A 10 -17.526 1.171 12.776 1.00 0.00 C ATOM 0 H VAL A 10 -16.731 3.974 10.698 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.155 3.244 12.285 1.00 0.00 H new ATOM 0 HB VAL A 10 -16.238 2.865 13.102 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -17.174 2.168 15.288 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -17.589 3.861 14.927 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -18.809 2.581 14.721 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.950 0.514 13.428 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -18.586 0.930 12.863 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.205 1.030 11.744 1.00 0.00 H new ATOM 163 N LEU A 11 -19.046 5.513 13.325 1.00 0.00 N ATOM 164 CA LEU A 11 -19.009 6.914 13.830 1.00 0.00 C ATOM 165 C LEU A 11 -19.377 6.921 15.316 1.00 0.00 C ATOM 166 O LEU A 11 -19.702 5.897 15.885 1.00 0.00 O ATOM 167 CB LEU A 11 -20.015 7.757 13.043 1.00 0.00 C ATOM 168 CG LEU A 11 -19.260 8.726 12.129 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.415 7.931 11.132 1.00 0.00 C ATOM 170 CD2 LEU A 11 -20.264 9.595 11.367 1.00 0.00 C ATOM 0 H LEU A 11 -19.935 5.030 13.456 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.010 7.331 13.703 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.663 7.111 12.451 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.657 8.311 13.728 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.611 9.363 12.730 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.877 8.620 10.481 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.701 7.311 11.674 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.064 7.295 10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.727 10.285 10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.913 8.959 10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.868 10.161 12.077 1.00 0.00 H new ATOM 182 N PRO A 12 -19.322 8.098 15.961 1.00 0.00 N ATOM 183 CA PRO A 12 -19.651 8.234 17.387 1.00 0.00 C ATOM 184 C PRO A 12 -21.128 7.936 17.659 1.00 0.00 C ATOM 185 O PRO A 12 -21.504 7.559 18.751 1.00 0.00 O ATOM 186 CB PRO A 12 -19.339 9.701 17.686 1.00 0.00 C ATOM 187 CG PRO A 12 -19.455 10.379 16.364 1.00 0.00 C ATOM 188 CD PRO A 12 -18.942 9.389 15.360 1.00 0.00 C ATOM 0 HA PRO A 12 -19.092 7.534 18.009 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -20.040 10.117 18.409 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.340 9.818 18.107 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.489 10.653 16.153 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.871 11.299 16.342 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.399 9.531 14.381 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.864 9.471 15.224 1.00 0.00 H new ATOM 196 N ARG A 13 -21.966 8.094 16.672 1.00 0.00 N ATOM 197 CA ARG A 13 -23.414 7.809 16.871 1.00 0.00 C ATOM 198 C ARG A 13 -23.776 6.526 16.126 1.00 0.00 C ATOM 199 O ARG A 13 -24.595 5.745 16.569 1.00 0.00 O ATOM 200 CB ARG A 13 -24.248 8.969 16.325 1.00 0.00 C ATOM 201 CG ARG A 13 -23.539 10.292 16.618 1.00 0.00 C ATOM 202 CD ARG A 13 -24.425 11.452 16.161 1.00 0.00 C ATOM 203 NE ARG A 13 -24.106 11.795 14.747 1.00 0.00 N ATOM 204 CZ ARG A 13 -25.056 12.178 13.939 1.00 0.00 C ATOM 205 NH1 ARG A 13 -25.277 13.449 13.745 1.00 0.00 N ATOM 206 NH2 ARG A 13 -25.788 11.288 13.326 1.00 0.00 N ATOM 0 H ARG A 13 -21.710 8.408 15.736 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.621 7.690 17.935 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -24.393 8.852 15.251 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.237 8.966 16.782 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -23.330 10.377 17.684 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.580 10.326 16.101 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -25.476 11.178 16.251 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -24.265 12.319 16.801 1.00 0.00 H new ATOM 0 HE ARG A 13 -23.145 11.730 14.411 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.707 14.145 14.225 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -26.020 13.747 13.113 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -25.617 10.294 13.479 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -26.531 11.586 12.694 1.00 0.00 H new ATOM 220 N ILE A 14 -23.167 6.302 14.996 1.00 0.00 N ATOM 221 CA ILE A 14 -23.465 5.068 14.217 1.00 0.00 C ATOM 222 C ILE A 14 -22.766 3.879 14.873 1.00 0.00 C ATOM 223 O ILE A 14 -23.277 2.777 14.893 1.00 0.00 O ATOM 224 CB ILE A 14 -22.952 5.234 12.785 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.694 6.387 12.107 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.193 3.941 12.004 1.00 0.00 C ATOM 227 CD1 ILE A 14 -23.103 6.627 10.716 1.00 0.00 C ATOM 0 H ILE A 14 -22.474 6.922 14.577 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.541 4.896 14.199 1.00 0.00 H new ATOM 0 HB ILE A 14 -21.884 5.452 12.805 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.756 6.153 12.027 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.611 7.291 12.710 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -22.828 4.059 10.984 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -22.663 3.120 12.487 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.260 3.722 11.984 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -23.632 7.449 10.233 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -22.047 6.880 10.808 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -23.209 5.724 10.115 1.00 0.00 H new ATOM 239 N GLY A 15 -21.598 4.095 15.411 1.00 0.00 N ATOM 240 CA GLY A 15 -20.861 2.980 16.067 1.00 0.00 C ATOM 241 C GLY A 15 -20.571 1.893 15.032 1.00 0.00 C ATOM 242 O GLY A 15 -20.148 2.171 13.927 1.00 0.00 O ATOM 0 H GLY A 15 -21.122 4.997 15.425 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.929 3.347 16.497 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.451 2.570 16.887 1.00 0.00 H new ATOM 246 N TYR A 16 -20.800 0.656 15.375 1.00 0.00 N ATOM 247 CA TYR A 16 -20.539 -0.440 14.403 1.00 0.00 C ATOM 248 C TYR A 16 -21.861 -1.101 14.010 1.00 0.00 C ATOM 249 O TYR A 16 -22.832 -1.054 14.741 1.00 0.00 O ATOM 250 CB TYR A 16 -19.615 -1.481 15.036 1.00 0.00 C ATOM 251 CG TYR A 16 -18.816 -2.154 13.948 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.415 -3.131 13.143 1.00 0.00 C ATOM 253 CD2 TYR A 16 -17.479 -1.795 13.734 1.00 0.00 C ATOM 254 CE1 TYR A 16 -18.677 -3.751 12.129 1.00 0.00 C ATOM 255 CE2 TYR A 16 -16.742 -2.412 12.717 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.341 -3.391 11.915 1.00 0.00 C ATOM 257 OH TYR A 16 -16.617 -3.999 10.911 1.00 0.00 O ATOM 0 H TYR A 16 -21.155 0.358 16.283 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.061 -0.027 13.514 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -18.947 -1.005 15.754 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.200 -2.219 15.585 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.447 -3.406 13.305 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.017 -1.041 14.354 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.138 -4.507 11.511 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.712 -2.133 12.551 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.659 -3.867 11.073 1.00 0.00 H new ATOM 267 N LEU A 17 -21.907 -1.713 12.860 1.00 0.00 N ATOM 268 CA LEU A 17 -23.168 -2.374 12.418 1.00 0.00 C ATOM 269 C LEU A 17 -22.968 -3.890 12.373 1.00 0.00 C ATOM 270 O LEU A 17 -22.091 -4.392 11.698 1.00 0.00 O ATOM 271 CB LEU A 17 -23.546 -1.868 11.025 1.00 0.00 C ATOM 272 CG LEU A 17 -24.906 -2.444 10.623 1.00 0.00 C ATOM 273 CD1 LEU A 17 -25.906 -2.238 11.764 1.00 0.00 C ATOM 274 CD2 LEU A 17 -25.410 -1.730 9.368 1.00 0.00 C ATOM 0 H LEU A 17 -21.127 -1.785 12.207 1.00 0.00 H new ATOM 0 HA LEU A 17 -23.966 -2.137 13.122 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.585 -0.779 11.021 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -22.786 -2.163 10.301 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.803 -3.510 10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -26.874 -2.648 11.478 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -25.547 -2.746 12.659 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.010 -1.172 11.969 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -26.378 -2.139 9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -25.513 -0.664 9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -24.699 -1.877 8.555 1.00 0.00 H new ATOM 286 N CYS A 18 -23.780 -4.622 13.084 1.00 0.00 N ATOM 287 CA CYS A 18 -23.650 -6.107 13.084 1.00 0.00 C ATOM 288 C CYS A 18 -25.045 -6.729 13.021 1.00 0.00 C ATOM 289 O CYS A 18 -26.025 -6.114 13.393 1.00 0.00 O ATOM 290 CB CYS A 18 -22.947 -6.563 14.365 1.00 0.00 C ATOM 291 SG CYS A 18 -21.325 -5.767 14.477 1.00 0.00 S ATOM 0 H CYS A 18 -24.531 -4.254 13.668 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.064 -6.423 12.221 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.551 -6.307 15.235 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -22.833 -7.647 14.364 1.00 0.00 H new ATOM 296 N PRO A 19 -25.135 -7.975 12.539 1.00 0.00 N ATOM 297 CA PRO A 19 -26.412 -8.685 12.426 1.00 0.00 C ATOM 298 C PRO A 19 -26.960 -9.079 13.799 1.00 0.00 C ATOM 299 O PRO A 19 -26.261 -9.037 14.791 1.00 0.00 O ATOM 300 CB PRO A 19 -26.060 -9.934 11.622 1.00 0.00 C ATOM 301 CG PRO A 19 -24.606 -10.150 11.874 1.00 0.00 C ATOM 302 CD PRO A 19 -24.000 -8.787 12.069 1.00 0.00 C ATOM 0 HA PRO A 19 -27.184 -8.071 11.961 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -26.650 -10.792 11.945 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.261 -9.791 10.560 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.453 -10.772 12.756 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.139 -10.666 11.035 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.191 -8.807 12.799 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -23.583 -8.396 11.141 1.00 0.00 H new ATOM 310 N LYS A 20 -28.205 -9.460 13.865 1.00 0.00 N ATOM 311 CA LYS A 20 -28.792 -9.853 15.176 1.00 0.00 C ATOM 312 C LYS A 20 -28.489 -11.327 15.447 1.00 0.00 C ATOM 313 O LYS A 20 -28.573 -11.793 16.566 1.00 0.00 O ATOM 314 CB LYS A 20 -30.306 -9.637 15.146 1.00 0.00 C ATOM 315 CG LYS A 20 -30.604 -8.161 14.872 1.00 0.00 C ATOM 316 CD LYS A 20 -32.117 -7.939 14.866 1.00 0.00 C ATOM 317 CE LYS A 20 -32.414 -6.464 14.590 1.00 0.00 C ATOM 318 NZ LYS A 20 -32.574 -6.255 13.124 1.00 0.00 N ATOM 0 H LYS A 20 -28.841 -9.516 13.069 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.357 -9.242 15.967 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.758 -10.260 14.374 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.746 -9.938 16.097 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.137 -7.537 15.634 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.178 -7.865 13.913 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.584 -8.564 14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.543 -8.234 15.825 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -33.321 -6.161 15.112 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -31.604 -5.842 14.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -32.776 -5.252 12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -31.697 -6.529 12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -33.361 -6.838 12.774 1.00 0.00 H new ATOM 332 N ASP A 21 -28.134 -12.063 14.431 1.00 0.00 N ATOM 333 CA ASP A 21 -27.821 -13.505 14.629 1.00 0.00 C ATOM 334 C ASP A 21 -26.496 -13.634 15.379 1.00 0.00 C ATOM 335 O ASP A 21 -25.510 -13.019 15.025 1.00 0.00 O ATOM 336 CB ASP A 21 -27.707 -14.192 13.268 1.00 0.00 C ATOM 337 CG ASP A 21 -29.033 -14.060 12.519 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.007 -13.670 13.141 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.052 -14.351 11.334 1.00 0.00 O ATOM 0 H ASP A 21 -28.047 -11.728 13.472 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.615 -13.977 15.207 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -26.902 -13.741 12.687 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.454 -15.244 13.400 1.00 0.00 H new ATOM 344 N LEU A 22 -26.461 -14.427 16.414 1.00 0.00 N ATOM 345 CA LEU A 22 -25.195 -14.589 17.182 1.00 0.00 C ATOM 346 C LEU A 22 -24.442 -15.818 16.675 1.00 0.00 C ATOM 347 O LEU A 22 -24.878 -16.940 16.846 1.00 0.00 O ATOM 348 CB LEU A 22 -25.519 -14.762 18.669 1.00 0.00 C ATOM 349 CG LEU A 22 -24.225 -14.724 19.493 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.473 -16.047 19.333 1.00 0.00 C ATOM 351 CD2 LEU A 22 -23.337 -13.575 19.009 1.00 0.00 C ATOM 0 H LEU A 22 -27.253 -14.969 16.761 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.573 -13.704 17.047 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.193 -13.971 18.998 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.035 -15.708 18.830 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.475 -14.572 20.543 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.555 -16.017 19.919 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.100 -16.867 19.683 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.228 -16.201 18.282 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.419 -13.552 19.597 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.091 -13.723 17.958 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -23.868 -12.630 19.127 1.00 0.00 H new ATOM 363 N LYS A 23 -23.311 -15.617 16.058 1.00 0.00 N ATOM 364 CA LYS A 23 -22.525 -16.776 15.544 1.00 0.00 C ATOM 365 C LYS A 23 -21.134 -16.761 16.178 1.00 0.00 C ATOM 366 O LYS A 23 -20.289 -15.966 15.819 1.00 0.00 O ATOM 367 CB LYS A 23 -22.395 -16.674 14.023 1.00 0.00 C ATOM 368 CG LYS A 23 -23.577 -17.387 13.367 1.00 0.00 C ATOM 369 CD LYS A 23 -23.074 -18.251 12.208 1.00 0.00 C ATOM 370 CE LYS A 23 -22.616 -17.350 11.059 1.00 0.00 C ATOM 371 NZ LYS A 23 -23.489 -17.577 9.873 1.00 0.00 N ATOM 0 H LYS A 23 -22.896 -14.701 15.887 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.034 -17.705 15.800 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.371 -15.628 13.718 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.457 -17.123 13.696 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.093 -18.008 14.100 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.299 -16.656 13.003 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.249 -18.880 12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.866 -18.918 11.867 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.661 -16.304 11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -21.578 -17.564 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -23.179 -16.965 9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -23.424 -18.573 9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.474 -17.352 10.119 1.00 0.00 H new ATOM 385 N PRO A 24 -20.899 -17.662 17.145 1.00 0.00 N ATOM 386 CA PRO A 24 -19.613 -17.762 17.853 1.00 0.00 C ATOM 387 C PRO A 24 -18.470 -18.146 16.914 1.00 0.00 C ATOM 388 O PRO A 24 -18.471 -19.203 16.319 1.00 0.00 O ATOM 389 CB PRO A 24 -19.858 -18.870 18.880 1.00 0.00 C ATOM 390 CG PRO A 24 -20.970 -19.670 18.296 1.00 0.00 C ATOM 391 CD PRO A 24 -21.862 -18.669 17.620 1.00 0.00 C ATOM 0 HA PRO A 24 -19.314 -16.813 18.297 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.966 -19.478 19.030 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.131 -18.459 19.852 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.594 -20.406 17.585 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.508 -20.219 19.069 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.424 -19.114 16.799 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.590 -18.242 18.310 1.00 0.00 H new ATOM 399 N VAL A 25 -17.497 -17.288 16.774 1.00 0.00 N ATOM 400 CA VAL A 25 -16.355 -17.603 15.870 1.00 0.00 C ATOM 401 C VAL A 25 -15.054 -17.650 16.675 1.00 0.00 C ATOM 402 O VAL A 25 -14.939 -17.055 17.729 1.00 0.00 O ATOM 403 CB VAL A 25 -16.245 -16.521 14.796 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.581 -16.394 14.061 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.896 -15.185 15.457 1.00 0.00 C ATOM 0 H VAL A 25 -17.443 -16.385 17.245 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.525 -18.572 15.401 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.465 -16.791 14.084 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.503 -15.622 13.295 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.831 -17.346 13.593 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.362 -16.123 14.771 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.817 -14.411 14.694 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.678 -14.915 16.167 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.945 -15.276 15.981 1.00 0.00 H new ATOM 415 N CYS A 26 -14.070 -18.351 16.181 1.00 0.00 N ATOM 416 CA CYS A 26 -12.770 -18.435 16.909 1.00 0.00 C ATOM 417 C CYS A 26 -11.779 -17.447 16.290 1.00 0.00 C ATOM 418 O CYS A 26 -11.350 -17.614 15.168 1.00 0.00 O ATOM 419 CB CYS A 26 -12.208 -19.854 16.791 1.00 0.00 C ATOM 420 SG CYS A 26 -10.534 -19.897 17.478 1.00 0.00 S ATOM 0 H CYS A 26 -14.109 -18.870 15.304 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.926 -18.191 17.960 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.849 -20.556 17.323 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.192 -20.165 15.746 1.00 0.00 H new ATOM 425 N GLY A 27 -11.413 -16.419 17.004 1.00 0.00 N ATOM 426 CA GLY A 27 -10.452 -15.426 16.444 1.00 0.00 C ATOM 427 C GLY A 27 -9.085 -16.084 16.245 1.00 0.00 C ATOM 428 O GLY A 27 -8.623 -16.842 17.074 1.00 0.00 O ATOM 0 H GLY A 27 -11.737 -16.223 17.951 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.823 -15.043 15.494 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.361 -14.574 17.118 1.00 0.00 H new ATOM 432 N ASP A 28 -8.433 -15.797 15.149 1.00 0.00 N ATOM 433 CA ASP A 28 -7.093 -16.402 14.897 1.00 0.00 C ATOM 434 C ASP A 28 -6.073 -15.807 15.867 1.00 0.00 C ATOM 435 O ASP A 28 -4.957 -16.274 15.974 1.00 0.00 O ATOM 436 CB ASP A 28 -6.662 -16.107 13.459 1.00 0.00 C ATOM 437 CG ASP A 28 -6.593 -14.594 13.249 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.676 -13.875 14.231 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.459 -14.180 12.109 1.00 0.00 O ATOM 0 H ASP A 28 -8.771 -15.170 14.418 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.149 -17.480 15.046 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.690 -16.558 13.260 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.369 -16.551 12.758 1.00 0.00 H new ATOM 444 N ASP A 29 -6.447 -14.779 16.577 1.00 0.00 N ATOM 445 CA ASP A 29 -5.497 -14.159 17.542 1.00 0.00 C ATOM 446 C ASP A 29 -5.531 -14.939 18.859 1.00 0.00 C ATOM 447 O ASP A 29 -4.909 -14.561 19.831 1.00 0.00 O ATOM 448 CB ASP A 29 -5.904 -12.707 17.797 1.00 0.00 C ATOM 449 CG ASP A 29 -5.694 -11.887 16.523 1.00 0.00 C ATOM 450 OD1 ASP A 29 -5.067 -12.398 15.609 1.00 0.00 O ATOM 451 OD2 ASP A 29 -6.162 -10.761 16.482 1.00 0.00 O ATOM 0 H ASP A 29 -7.368 -14.342 16.531 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.488 -14.185 17.129 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.949 -12.660 18.105 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.312 -12.290 18.612 1.00 0.00 H new ATOM 456 N GLY A 30 -6.256 -16.025 18.899 1.00 0.00 N ATOM 457 CA GLY A 30 -6.332 -16.824 20.154 1.00 0.00 C ATOM 458 C GLY A 30 -7.520 -16.341 20.988 1.00 0.00 C ATOM 459 O GLY A 30 -7.651 -16.672 22.150 1.00 0.00 O ATOM 0 H GLY A 30 -6.798 -16.392 18.117 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.444 -17.882 19.919 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.408 -16.720 20.722 1.00 0.00 H new ATOM 463 N GLN A 31 -8.385 -15.561 20.401 1.00 0.00 N ATOM 464 CA GLN A 31 -9.564 -15.053 21.158 1.00 0.00 C ATOM 465 C GLN A 31 -10.848 -15.464 20.437 1.00 0.00 C ATOM 466 O GLN A 31 -10.889 -15.561 19.226 1.00 0.00 O ATOM 467 CB GLN A 31 -9.497 -13.528 21.242 1.00 0.00 C ATOM 468 CG GLN A 31 -8.400 -13.116 22.225 1.00 0.00 C ATOM 469 CD GLN A 31 -8.188 -11.603 22.146 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.819 -10.930 21.354 1.00 0.00 O ATOM 471 NE2 GLN A 31 -7.323 -11.034 22.940 1.00 0.00 N ATOM 0 H GLN A 31 -8.327 -15.253 19.430 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.559 -15.475 22.163 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.293 -13.108 20.257 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.458 -13.129 21.566 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.679 -13.403 23.239 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.472 -13.637 21.990 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.793 -11.598 23.605 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.177 -10.026 22.896 1.00 0.00 H new ATOM 480 N THR A 32 -11.900 -15.702 21.170 1.00 0.00 N ATOM 481 CA THR A 32 -13.183 -16.100 20.525 1.00 0.00 C ATOM 482 C THR A 32 -14.182 -14.949 20.632 1.00 0.00 C ATOM 483 O THR A 32 -14.245 -14.259 21.630 1.00 0.00 O ATOM 484 CB THR A 32 -13.750 -17.334 21.231 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.754 -18.345 21.285 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.963 -17.851 20.456 1.00 0.00 C ATOM 0 H THR A 32 -11.927 -15.638 22.188 1.00 0.00 H new ATOM 0 HA THR A 32 -13.005 -16.333 19.475 1.00 0.00 H new ATOM 0 HB THR A 32 -14.053 -17.069 22.244 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.115 -19.136 21.738 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.368 -18.730 20.958 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.726 -17.074 20.414 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.661 -18.118 19.443 1.00 0.00 H new ATOM 494 N TYR A 33 -14.962 -14.737 19.611 1.00 0.00 N ATOM 495 CA TYR A 33 -15.957 -13.631 19.651 1.00 0.00 C ATOM 496 C TYR A 33 -17.358 -14.209 19.455 1.00 0.00 C ATOM 497 O TYR A 33 -17.597 -14.986 18.552 1.00 0.00 O ATOM 498 CB TYR A 33 -15.647 -12.633 18.536 1.00 0.00 C ATOM 499 CG TYR A 33 -14.326 -11.960 18.825 1.00 0.00 C ATOM 500 CD1 TYR A 33 -13.144 -12.710 18.819 1.00 0.00 C ATOM 501 CD2 TYR A 33 -14.283 -10.589 19.103 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.919 -12.090 19.090 1.00 0.00 C ATOM 503 CE2 TYR A 33 -13.057 -9.968 19.374 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.876 -10.718 19.367 1.00 0.00 C ATOM 505 OH TYR A 33 -10.668 -10.107 19.635 1.00 0.00 O ATOM 0 H TYR A 33 -14.954 -15.282 18.749 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.908 -13.122 20.613 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.605 -13.145 17.575 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.440 -11.889 18.467 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.177 -13.768 18.605 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -15.195 -10.010 19.109 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.007 -12.669 19.086 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.023 -8.910 19.588 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.263 -10.517 20.427 1.00 0.00 H new ATOM 515 N ASN A 34 -18.287 -13.842 20.294 1.00 0.00 N ATOM 516 CA ASN A 34 -19.667 -14.382 20.147 1.00 0.00 C ATOM 517 C ASN A 34 -20.164 -14.122 18.726 1.00 0.00 C ATOM 518 O ASN A 34 -20.197 -15.008 17.902 1.00 0.00 O ATOM 519 CB ASN A 34 -20.606 -13.713 21.157 1.00 0.00 C ATOM 520 CG ASN A 34 -19.867 -13.494 22.476 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.941 -14.213 22.795 1.00 0.00 O ATOM 522 ND2 ASN A 34 -20.241 -12.524 23.262 1.00 0.00 N ATOM 0 H ASN A 34 -18.151 -13.195 21.071 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.655 -15.455 20.338 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.960 -12.760 20.764 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -21.485 -14.337 21.320 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -19.756 -12.368 24.146 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -21.018 -11.921 22.993 1.00 0.00 H new ATOM 529 N ASN A 35 -20.552 -12.917 18.431 1.00 0.00 N ATOM 530 CA ASN A 35 -21.044 -12.611 17.058 1.00 0.00 C ATOM 531 C ASN A 35 -19.852 -12.363 16.130 1.00 0.00 C ATOM 532 O ASN A 35 -18.833 -11.844 16.542 1.00 0.00 O ATOM 533 CB ASN A 35 -21.939 -11.369 17.116 1.00 0.00 C ATOM 534 CG ASN A 35 -22.265 -10.887 15.703 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.378 -10.596 14.929 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.513 -10.788 15.335 1.00 0.00 N ATOM 0 H ASN A 35 -20.551 -12.129 19.079 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.619 -13.452 16.671 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.860 -11.600 17.651 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.438 -10.576 17.672 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.744 -10.466 14.395 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.258 -11.033 15.987 1.00 0.00 H new ATOM 543 N PRO A 36 -19.985 -12.742 14.848 1.00 0.00 N ATOM 544 CA PRO A 36 -18.919 -12.560 13.851 1.00 0.00 C ATOM 545 C PRO A 36 -18.603 -11.080 13.618 1.00 0.00 C ATOM 546 O PRO A 36 -17.467 -10.660 13.709 1.00 0.00 O ATOM 547 CB PRO A 36 -19.503 -13.194 12.587 1.00 0.00 C ATOM 548 CG PRO A 36 -20.977 -13.126 12.792 1.00 0.00 C ATOM 549 CD PRO A 36 -21.178 -13.373 14.259 1.00 0.00 C ATOM 0 HA PRO A 36 -17.977 -13.009 14.166 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.200 -12.650 11.692 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.165 -14.223 12.465 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.372 -12.153 12.498 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.494 -13.875 12.191 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.100 -12.921 14.625 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.231 -14.437 14.489 1.00 0.00 H new ATOM 557 N CYS A 37 -19.596 -10.278 13.336 1.00 0.00 N ATOM 558 CA CYS A 37 -19.329 -8.829 13.123 1.00 0.00 C ATOM 559 C CYS A 37 -18.813 -8.238 14.434 1.00 0.00 C ATOM 560 O CYS A 37 -18.074 -7.274 14.447 1.00 0.00 O ATOM 561 CB CYS A 37 -20.622 -8.120 12.707 1.00 0.00 C ATOM 562 SG CYS A 37 -20.381 -6.326 12.780 1.00 0.00 S ATOM 0 H CYS A 37 -20.571 -10.562 13.245 1.00 0.00 H new ATOM 0 HA CYS A 37 -18.588 -8.695 12.335 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -20.904 -8.419 11.697 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.439 -8.415 13.366 1.00 0.00 H new ATOM 567 N MET A 38 -19.196 -8.821 15.538 1.00 0.00 N ATOM 568 CA MET A 38 -18.728 -8.313 16.855 1.00 0.00 C ATOM 569 C MET A 38 -17.200 -8.387 16.908 1.00 0.00 C ATOM 570 O MET A 38 -16.563 -7.705 17.686 1.00 0.00 O ATOM 571 CB MET A 38 -19.327 -9.172 17.973 1.00 0.00 C ATOM 572 CG MET A 38 -20.623 -8.531 18.472 1.00 0.00 C ATOM 573 SD MET A 38 -20.259 -6.909 19.187 1.00 0.00 S ATOM 574 CE MET A 38 -19.423 -7.498 20.679 1.00 0.00 C ATOM 0 H MET A 38 -19.815 -9.630 15.582 1.00 0.00 H new ATOM 0 HA MET A 38 -19.046 -7.279 16.987 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.525 -10.179 17.606 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.616 -9.266 18.794 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.330 -8.427 17.649 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.094 -9.171 19.218 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.760 -6.918 21.538 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.659 -8.550 20.837 1.00 0.00 H new ATOM 0 HE3 MET A 38 -18.346 -7.381 20.563 1.00 0.00 H new ATOM 584 N LEU A 39 -16.607 -9.205 16.079 1.00 0.00 N ATOM 585 CA LEU A 39 -15.123 -9.316 16.077 1.00 0.00 C ATOM 586 C LEU A 39 -14.530 -8.000 15.582 1.00 0.00 C ATOM 587 O LEU A 39 -13.682 -7.411 16.221 1.00 0.00 O ATOM 588 CB LEU A 39 -14.694 -10.457 15.151 1.00 0.00 C ATOM 589 CG LEU A 39 -13.168 -10.562 15.148 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.720 -11.506 16.264 1.00 0.00 C ATOM 591 CD2 LEU A 39 -12.694 -11.107 13.797 1.00 0.00 C ATOM 0 H LEU A 39 -17.088 -9.800 15.404 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.766 -9.524 17.086 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.134 -11.397 15.486 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.059 -10.277 14.140 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.737 -9.574 15.312 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.633 -11.581 16.262 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.055 -11.118 17.226 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.152 -12.493 16.101 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.607 -11.181 13.796 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.125 -12.094 13.631 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.012 -10.434 13.001 1.00 0.00 H new ATOM 603 N CYS A 40 -14.978 -7.523 14.455 1.00 0.00 N ATOM 604 CA CYS A 40 -14.444 -6.234 13.940 1.00 0.00 C ATOM 605 C CYS A 40 -14.612 -5.172 15.023 1.00 0.00 C ATOM 606 O CYS A 40 -13.911 -4.180 15.053 1.00 0.00 O ATOM 607 CB CYS A 40 -15.209 -5.821 12.686 1.00 0.00 C ATOM 608 SG CYS A 40 -14.120 -4.842 11.631 1.00 0.00 S ATOM 0 H CYS A 40 -15.687 -7.967 13.872 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.390 -6.342 13.686 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.559 -6.704 12.150 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.092 -5.242 12.957 1.00 0.00 H new ATOM 613 N HIS A 41 -15.534 -5.383 15.925 1.00 0.00 N ATOM 614 CA HIS A 41 -15.747 -4.400 17.021 1.00 0.00 C ATOM 615 C HIS A 41 -14.456 -4.273 17.825 1.00 0.00 C ATOM 616 O HIS A 41 -13.876 -3.209 17.927 1.00 0.00 O ATOM 617 CB HIS A 41 -16.869 -4.891 17.934 1.00 0.00 C ATOM 618 CG HIS A 41 -17.466 -3.723 18.671 1.00 0.00 C ATOM 619 ND1 HIS A 41 -18.067 -2.661 18.012 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.562 -3.434 20.010 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.492 -1.792 18.948 1.00 0.00 C ATOM 622 NE2 HIS A 41 -18.210 -2.215 20.182 1.00 0.00 N ATOM 0 H HIS A 41 -16.149 -6.197 15.948 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.021 -3.431 16.603 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.637 -5.394 17.346 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.481 -5.622 18.643 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.191 -4.059 20.809 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -19.000 -0.865 18.727 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -18.424 -1.746 21.062 1.00 0.00 H new ATOM 630 N GLU A 42 -13.990 -5.355 18.388 1.00 0.00 N ATOM 631 CA GLU A 42 -12.728 -5.294 19.172 1.00 0.00 C ATOM 632 C GLU A 42 -11.584 -4.947 18.220 1.00 0.00 C ATOM 633 O GLU A 42 -10.547 -4.458 18.626 1.00 0.00 O ATOM 634 CB GLU A 42 -12.460 -6.651 19.825 1.00 0.00 C ATOM 635 CG GLU A 42 -11.440 -6.479 20.952 1.00 0.00 C ATOM 636 CD GLU A 42 -11.144 -7.839 21.587 1.00 0.00 C ATOM 637 OE1 GLU A 42 -11.983 -8.718 21.478 1.00 0.00 O ATOM 638 OE2 GLU A 42 -10.083 -7.978 22.173 1.00 0.00 O ATOM 0 H GLU A 42 -14.428 -6.275 18.338 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.809 -4.537 19.952 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.387 -7.067 20.219 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.084 -7.356 19.084 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.522 -6.041 20.561 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.826 -5.791 21.704 1.00 0.00 H new ATOM 645 N ASN A 43 -11.773 -5.188 16.952 1.00 0.00 N ATOM 646 CA ASN A 43 -10.706 -4.864 15.964 1.00 0.00 C ATOM 647 C ASN A 43 -10.712 -3.358 15.704 1.00 0.00 C ATOM 648 O ASN A 43 -9.708 -2.774 15.349 1.00 0.00 O ATOM 649 CB ASN A 43 -10.976 -5.601 14.652 1.00 0.00 C ATOM 650 CG ASN A 43 -10.887 -7.112 14.878 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.238 -7.564 15.799 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.519 -7.917 14.068 1.00 0.00 N ATOM 0 H ASN A 43 -12.621 -5.595 16.557 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.738 -5.173 16.358 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.964 -5.338 14.273 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.253 -5.294 13.896 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.468 -8.926 14.209 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.064 -7.537 13.294 1.00 0.00 H new ATOM 659 N LEU A 44 -11.840 -2.726 15.877 1.00 0.00 N ATOM 660 CA LEU A 44 -11.918 -1.258 15.643 1.00 0.00 C ATOM 661 C LEU A 44 -11.138 -0.532 16.738 1.00 0.00 C ATOM 662 O LEU A 44 -10.535 0.499 16.510 1.00 0.00 O ATOM 663 CB LEU A 44 -13.383 -0.818 15.678 1.00 0.00 C ATOM 664 CG LEU A 44 -13.486 0.654 15.281 1.00 0.00 C ATOM 665 CD1 LEU A 44 -13.186 0.802 13.789 1.00 0.00 C ATOM 666 CD2 LEU A 44 -14.899 1.162 15.571 1.00 0.00 C ATOM 0 H LEU A 44 -12.713 -3.165 16.171 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.490 -1.016 14.670 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.974 -1.431 14.997 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.794 -0.965 16.677 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.766 1.237 15.855 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.259 1.852 13.506 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.179 0.440 13.583 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.906 0.220 13.214 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.973 2.212 15.288 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.620 0.580 14.997 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.112 1.057 16.635 1.00 0.00 H new ATOM 678 N ILE A 45 -11.145 -1.064 17.929 1.00 0.00 N ATOM 679 CA ILE A 45 -10.406 -0.411 19.044 1.00 0.00 C ATOM 680 C ILE A 45 -8.920 -0.758 18.945 1.00 0.00 C ATOM 681 O ILE A 45 -8.067 0.107 18.974 1.00 0.00 O ATOM 682 CB ILE A 45 -10.960 -0.913 20.378 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.485 -0.984 20.300 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.552 0.048 21.495 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.037 0.383 19.887 1.00 0.00 C ATOM 0 H ILE A 45 -11.632 -1.925 18.178 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.529 0.670 18.980 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.559 -1.904 20.588 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.788 -1.744 19.580 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.896 -1.278 21.266 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.947 -0.310 22.446 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.465 0.101 21.551 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.953 1.040 21.286 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.124 0.334 19.831 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.745 1.131 20.624 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.635 0.658 18.912 1.00 0.00 H new ATOM 697 N ARG A 46 -8.603 -2.019 18.833 1.00 0.00 N ATOM 698 CA ARG A 46 -7.169 -2.421 18.737 1.00 0.00 C ATOM 699 C ARG A 46 -6.670 -2.215 17.307 1.00 0.00 C ATOM 700 O ARG A 46 -5.522 -1.891 17.081 1.00 0.00 O ATOM 701 CB ARG A 46 -7.028 -3.895 19.115 1.00 0.00 C ATOM 702 CG ARG A 46 -7.422 -4.088 20.579 1.00 0.00 C ATOM 703 CD ARG A 46 -7.128 -5.530 20.999 1.00 0.00 C ATOM 704 NE ARG A 46 -7.656 -5.764 22.372 1.00 0.00 N ATOM 705 CZ ARG A 46 -6.994 -5.327 23.408 1.00 0.00 C ATOM 706 NH1 ARG A 46 -5.696 -5.451 23.451 1.00 0.00 N ATOM 707 NH2 ARG A 46 -7.629 -4.767 24.400 1.00 0.00 N ATOM 0 H ARG A 46 -9.273 -2.788 18.804 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.577 -1.809 19.418 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.661 -4.508 18.473 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.001 -4.225 18.958 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.868 -3.394 21.211 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.481 -3.867 20.714 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.588 -6.226 20.297 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.054 -5.716 20.974 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.535 -6.266 22.502 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.200 -5.889 22.675 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.178 -5.110 24.260 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.644 -4.670 24.366 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.111 -4.426 25.210 1.00 0.00 H new ATOM 721 N GLN A 47 -7.523 -2.408 16.339 1.00 0.00 N ATOM 722 CA GLN A 47 -7.099 -2.229 14.922 1.00 0.00 C ATOM 723 C GLN A 47 -6.026 -3.264 14.577 1.00 0.00 C ATOM 724 O GLN A 47 -5.068 -2.974 13.888 1.00 0.00 O ATOM 725 CB GLN A 47 -6.536 -0.820 14.726 1.00 0.00 C ATOM 726 CG GLN A 47 -7.624 0.211 15.037 1.00 0.00 C ATOM 727 CD GLN A 47 -7.074 1.619 14.801 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.878 1.808 14.695 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.903 2.623 14.711 1.00 0.00 N ATOM 0 H GLN A 47 -8.497 -2.682 16.469 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.959 -2.365 14.267 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.677 -0.666 15.379 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.185 -0.696 13.702 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.495 0.038 14.405 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.954 0.106 16.070 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.907 2.465 14.800 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.547 3.566 14.552 1.00 0.00 H new ATOM 738 N THR A 48 -6.180 -4.472 15.049 1.00 0.00 N ATOM 739 CA THR A 48 -5.170 -5.526 14.747 1.00 0.00 C ATOM 740 C THR A 48 -5.621 -6.329 13.524 1.00 0.00 C ATOM 741 O THR A 48 -4.898 -7.164 13.018 1.00 0.00 O ATOM 742 CB THR A 48 -5.037 -6.466 15.948 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.246 -7.193 16.114 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.754 -5.648 17.210 1.00 0.00 C ATOM 0 H THR A 48 -6.962 -4.774 15.631 1.00 0.00 H new ATOM 0 HA THR A 48 -4.208 -5.057 14.542 1.00 0.00 H new ATOM 0 HB THR A 48 -4.215 -7.161 15.777 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.162 -7.797 16.881 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.660 -6.318 18.064 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.826 -5.090 17.082 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.574 -4.952 17.384 1.00 0.00 H new ATOM 752 N ASN A 49 -6.811 -6.083 13.046 1.00 0.00 N ATOM 753 CA ASN A 49 -7.308 -6.833 11.857 1.00 0.00 C ATOM 754 C ASN A 49 -7.412 -8.320 12.199 1.00 0.00 C ATOM 755 O ASN A 49 -6.847 -9.161 11.528 1.00 0.00 O ATOM 756 CB ASN A 49 -6.338 -6.645 10.689 1.00 0.00 C ATOM 757 CG ASN A 49 -6.271 -5.163 10.313 1.00 0.00 C ATOM 758 OD1 ASN A 49 -7.116 -4.386 10.711 1.00 0.00 O ATOM 759 ND2 ASN A 49 -5.295 -4.738 9.560 1.00 0.00 N ATOM 0 H ASN A 49 -7.460 -5.395 13.428 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.291 -6.455 11.576 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.347 -7.006 10.964 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.666 -7.234 9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.240 -3.752 9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.586 -5.391 9.227 1.00 0.00 H new ATOM 766 N THR A 50 -8.132 -8.654 13.236 1.00 0.00 N ATOM 767 CA THR A 50 -8.269 -10.088 13.615 1.00 0.00 C ATOM 768 C THR A 50 -9.165 -10.801 12.601 1.00 0.00 C ATOM 769 O THR A 50 -10.177 -10.278 12.177 1.00 0.00 O ATOM 770 CB THR A 50 -8.897 -10.193 15.006 1.00 0.00 C ATOM 771 OG1 THR A 50 -8.124 -9.441 15.932 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.935 -11.659 15.442 1.00 0.00 C ATOM 0 H THR A 50 -8.630 -7.996 13.836 1.00 0.00 H new ATOM 0 HA THR A 50 -7.284 -10.554 13.624 1.00 0.00 H new ATOM 0 HB THR A 50 -9.913 -9.799 14.976 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.528 -10.043 16.425 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.383 -11.732 16.433 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.529 -12.234 14.732 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.920 -12.056 15.472 1.00 0.00 H new ATOM 780 N HIS A 51 -8.804 -11.991 12.213 1.00 0.00 N ATOM 781 CA HIS A 51 -9.637 -12.739 11.232 1.00 0.00 C ATOM 782 C HIS A 51 -10.317 -13.911 11.940 1.00 0.00 C ATOM 783 O HIS A 51 -10.109 -14.142 13.116 1.00 0.00 O ATOM 784 CB HIS A 51 -8.748 -13.265 10.105 1.00 0.00 C ATOM 785 CG HIS A 51 -7.727 -12.221 9.745 1.00 0.00 C ATOM 786 ND1 HIS A 51 -6.376 -12.140 9.976 1.00 0.00 N flip ATOM 787 CD2 HIS A 51 -8.062 -11.067 9.054 1.00 0.00 C flip ATOM 788 CE1 HIS A 51 -5.877 -10.958 9.437 1.00 0.00 C flip ATOM 789 NE2 HIS A 51 -6.935 -10.349 8.894 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.967 -12.479 12.533 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.395 -12.077 10.813 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.251 -14.183 10.418 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.355 -13.512 9.234 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -5.822 -12.841 10.468 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.048 -10.794 8.707 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.855 -10.608 9.454 1.00 0.00 H new ATOM 797 N ILE A 52 -11.129 -14.652 11.239 1.00 0.00 N ATOM 798 CA ILE A 52 -11.820 -15.804 11.882 1.00 0.00 C ATOM 799 C ILE A 52 -10.960 -17.062 11.751 1.00 0.00 C ATOM 800 O ILE A 52 -10.579 -17.460 10.667 1.00 0.00 O ATOM 801 CB ILE A 52 -13.171 -16.040 11.204 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.060 -14.808 11.394 1.00 0.00 C ATOM 803 CG2 ILE A 52 -13.847 -17.258 11.835 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.486 -15.134 10.944 1.00 0.00 C ATOM 0 H ILE A 52 -11.344 -14.510 10.252 1.00 0.00 H new ATOM 0 HA ILE A 52 -11.977 -15.581 12.937 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.019 -16.217 10.139 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.058 -14.503 12.440 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.668 -13.971 10.817 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.810 -17.429 11.354 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.214 -18.135 11.702 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.999 -17.079 12.899 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.120 -14.257 11.079 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.479 -15.418 9.892 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -15.876 -15.959 11.540 1.00 0.00 H new ATOM 816 N ARG A 53 -10.659 -17.689 12.850 1.00 0.00 N ATOM 817 CA ARG A 53 -9.832 -18.926 12.814 1.00 0.00 C ATOM 818 C ARG A 53 -10.714 -20.112 12.442 1.00 0.00 C ATOM 819 O ARG A 53 -10.458 -20.825 11.494 1.00 0.00 O ATOM 820 CB ARG A 53 -9.237 -19.173 14.199 1.00 0.00 C ATOM 821 CG ARG A 53 -8.307 -20.385 14.148 1.00 0.00 C ATOM 822 CD ARG A 53 -7.545 -20.502 15.469 1.00 0.00 C ATOM 823 NE ARG A 53 -6.650 -21.692 15.422 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.513 -22.450 16.476 1.00 0.00 C ATOM 825 NH1 ARG A 53 -7.042 -23.643 16.496 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.849 -22.015 17.511 1.00 0.00 N ATOM 0 H ARG A 53 -10.953 -17.395 13.782 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.035 -18.810 12.079 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.686 -18.293 14.532 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.034 -19.343 14.923 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.884 -21.292 13.968 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.606 -20.284 13.320 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.959 -19.600 15.644 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.246 -20.593 16.299 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.144 -21.915 14.565 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.563 -23.984 15.688 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.935 -24.235 17.320 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.437 -21.082 17.497 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.742 -22.608 18.334 1.00 0.00 H new ATOM 840 N SER A 54 -11.749 -20.326 13.198 1.00 0.00 N ATOM 841 CA SER A 54 -12.661 -21.465 12.919 1.00 0.00 C ATOM 842 C SER A 54 -14.075 -21.097 13.366 1.00 0.00 C ATOM 843 O SER A 54 -14.263 -20.370 14.321 1.00 0.00 O ATOM 844 CB SER A 54 -12.183 -22.691 13.698 1.00 0.00 C ATOM 845 OG SER A 54 -12.456 -22.510 15.080 1.00 0.00 O ATOM 0 H SER A 54 -12.005 -19.756 14.004 1.00 0.00 H new ATOM 0 HA SER A 54 -12.662 -21.687 11.852 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.685 -23.586 13.331 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.114 -22.839 13.544 1.00 0.00 H new ATOM 0 HG SER A 54 -12.151 -23.296 15.579 1.00 0.00 H new ATOM 851 N THR A 55 -15.071 -21.591 12.687 1.00 0.00 N ATOM 852 CA THR A 55 -16.467 -21.262 13.083 1.00 0.00 C ATOM 853 C THR A 55 -16.748 -21.833 14.473 1.00 0.00 C ATOM 854 O THR A 55 -16.211 -22.854 14.855 1.00 0.00 O ATOM 855 CB THR A 55 -17.443 -21.868 12.072 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.539 -23.268 12.290 1.00 0.00 O ATOM 857 CG2 THR A 55 -16.940 -21.604 10.653 1.00 0.00 C ATOM 0 H THR A 55 -14.980 -22.206 11.878 1.00 0.00 H new ATOM 0 HA THR A 55 -16.594 -20.180 13.102 1.00 0.00 H new ATOM 0 HB THR A 55 -18.425 -21.412 12.197 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.165 -23.657 11.644 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.636 -22.036 9.934 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.867 -20.529 10.487 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.957 -22.058 10.525 1.00 0.00 H new ATOM 865 N GLY A 56 -17.582 -21.180 15.232 1.00 0.00 N ATOM 866 CA GLY A 56 -17.895 -21.678 16.599 1.00 0.00 C ATOM 867 C GLY A 56 -16.799 -21.233 17.565 1.00 0.00 C ATOM 868 O GLY A 56 -15.722 -20.840 17.164 1.00 0.00 O ATOM 0 H GLY A 56 -18.061 -20.321 14.964 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.861 -21.293 16.926 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.970 -22.765 16.593 1.00 0.00 H new ATOM 872 N LYS A 57 -17.069 -21.293 18.836 1.00 0.00 N ATOM 873 CA LYS A 57 -16.049 -20.877 19.838 1.00 0.00 C ATOM 874 C LYS A 57 -14.915 -21.902 19.866 1.00 0.00 C ATOM 875 O LYS A 57 -15.142 -23.090 19.978 1.00 0.00 O ATOM 876 CB LYS A 57 -16.695 -20.794 21.223 1.00 0.00 C ATOM 877 CG LYS A 57 -17.718 -19.658 21.245 1.00 0.00 C ATOM 878 CD LYS A 57 -17.975 -19.232 22.692 1.00 0.00 C ATOM 879 CE LYS A 57 -19.084 -18.179 22.726 1.00 0.00 C ATOM 880 NZ LYS A 57 -19.909 -18.366 23.954 1.00 0.00 N ATOM 0 H LYS A 57 -17.955 -21.613 19.227 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.650 -19.900 19.565 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.181 -21.739 21.466 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.931 -20.624 21.982 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.350 -18.812 20.665 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.648 -19.983 20.779 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -18.262 -20.096 23.291 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.062 -18.828 23.131 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.651 -17.179 22.715 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.710 -18.266 21.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.663 -17.650 23.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -20.333 -19.316 23.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.307 -18.263 24.796 1.00 0.00 H new ATOM 894 N CYS A 58 -13.693 -21.454 19.767 1.00 0.00 N ATOM 895 CA CYS A 58 -12.546 -22.406 19.791 1.00 0.00 C ATOM 896 C CYS A 58 -12.665 -23.309 21.019 1.00 0.00 C ATOM 897 O CYS A 58 -12.272 -24.459 20.997 1.00 0.00 O ATOM 898 CB CYS A 58 -11.236 -21.622 19.860 1.00 0.00 C ATOM 899 SG CYS A 58 -10.373 -21.746 18.273 1.00 0.00 S ATOM 0 H CYS A 58 -13.439 -20.471 19.671 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.557 -23.015 18.887 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -11.437 -20.577 20.096 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.607 -22.014 20.660 1.00 0.00 H new