USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1023 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 105 GLN : amide:sc= -4.91! C(o=-14!,f=-24!) USER MOD Set 1.2: A 107 ASN : amide:sc= -9.56! C(o=-14!,f=-13!) USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 116 GLN : amide:sc= -4.83! K(o=-4.8!,f=-1.5) USER MOD Set 3.1: A 27 GLN : amide:sc= -3.55! C(o=-12!,f=-13!) USER MOD Set 3.2: A 62 HIS : no HE2:sc= -7.98! C(o=-12!,f=-18!) USER MOD Single : A 8 GLN : amide:sc= -2.57! C(o=-2.6!,f=-3.5!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0601 USER MOD Single : A 13 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.11) USER MOD Single : A 15 THR OG1 : rot -18:sc= -0.0733 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.176 USER MOD Single : A 31 CYS SG : rot 180:sc= -1.95 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.96! K(o=-2!,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc=-0.00538 K(o=-0.0054,f=-0.62) USER MOD Single : A 53 GLN : amide:sc= -5.38! C(o=-5.4!,f=-5.1!) USER MOD Single : A 55 HIS : no HE2:sc= -0.431 K(o=-0.43,f=-2.1) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.252 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.004 X(o=-0.004,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.231 USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.0767 (180deg=-0.606) USER MOD Single : A 85 MET CE :methyl -146:sc= -0.051 (180deg=-1.51) USER MOD Single : A 90 SER OG : rot -4:sc= 0.714! USER MOD Single : A 100 SER OG : rot -26:sc= 0.152 USER MOD Single : A 108 THR OG1 : rot -160:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot -6:sc= -0.282! USER MOD Single : A 122 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-3.4) USER MOD Single : A 123 THR OG1 : rot 153:sc= 0.591 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -1.02 K(o=-1,f=-0.17) USER MOD Single : A 134 CYS SG : rot 70:sc= -1.03! USER MOD Single : A 150 SER OG : rot 22:sc= 0.879 USER MOD Single : A 152 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.4) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 CYS SG : rot -19:sc= -0.495! USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 7 -11.327 10.233 -5.464 1.00 1.00 N ATOM 79 CA ASP A 7 -10.256 9.260 -5.633 1.00 1.00 C ATOM 80 C ASP A 7 -9.779 8.759 -4.278 1.00 1.00 C ATOM 81 O ASP A 7 -10.332 9.114 -3.238 1.00 1.00 O ATOM 82 CB ASP A 7 -9.073 9.887 -6.378 1.00 1.00 C ATOM 83 CG ASP A 7 -9.435 10.137 -7.839 1.00 1.00 C ATOM 84 OD1 ASP A 7 -10.443 9.609 -8.280 1.00 1.00 O ATOM 85 OD2 ASP A 7 -8.698 10.856 -8.495 1.00 1.00 O ATOM 0 HA ASP A 7 -10.647 8.425 -6.214 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -8.791 10.826 -5.901 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -8.207 9.227 -6.319 1.00 1.00 H new ATOM 90 N GLN A 8 -8.739 7.939 -4.305 1.00 1.00 N ATOM 91 CA GLN A 8 -8.162 7.381 -3.080 1.00 1.00 C ATOM 92 C GLN A 8 -6.917 8.163 -2.680 1.00 1.00 C ATOM 93 O GLN A 8 -6.633 8.320 -1.498 1.00 1.00 O ATOM 94 CB GLN A 8 -7.804 5.891 -3.293 1.00 1.00 C ATOM 95 CG GLN A 8 -7.622 5.616 -4.785 1.00 1.00 C ATOM 96 CD GLN A 8 -8.984 5.540 -5.461 1.00 1.00 C ATOM 97 OE1 GLN A 8 -9.252 6.271 -6.417 1.00 1.00 O ATOM 98 NE2 GLN A 8 -9.869 4.691 -5.015 1.00 1.00 N ATOM 0 H GLN A 8 -8.273 7.641 -5.162 1.00 1.00 H new ATOM 0 HA GLN A 8 -8.898 7.458 -2.280 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -6.889 5.646 -2.753 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -8.592 5.256 -2.889 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -7.023 6.405 -5.240 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -7.081 4.681 -4.929 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -9.644 4.088 -4.224 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -10.786 4.631 -5.458 1.00 1.00 H new ATOM 107 N SER A 9 -6.156 8.614 -3.669 1.00 1.00 N ATOM 108 CA SER A 9 -4.918 9.332 -3.388 1.00 1.00 C ATOM 109 C SER A 9 -5.173 10.528 -2.479 1.00 1.00 C ATOM 110 O SER A 9 -4.484 10.713 -1.476 1.00 1.00 O ATOM 111 CB SER A 9 -4.281 9.818 -4.689 1.00 1.00 C ATOM 112 OG SER A 9 -4.023 8.704 -5.532 1.00 1.00 O ATOM 0 H SER A 9 -6.369 8.498 -4.660 1.00 1.00 H new ATOM 0 HA SER A 9 -4.242 8.643 -2.883 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.945 10.522 -5.191 1.00 1.00 H new ATOM 0 HB3 SER A 9 -3.354 10.350 -4.476 1.00 1.00 H new ATOM 0 HG SER A 9 -3.616 9.014 -6.368 1.00 1.00 H new ATOM 118 N VAL A 10 -6.167 11.330 -2.828 1.00 1.00 N ATOM 119 CA VAL A 10 -6.497 12.497 -2.020 1.00 1.00 C ATOM 120 C VAL A 10 -7.009 12.056 -0.654 1.00 1.00 C ATOM 121 O VAL A 10 -6.608 12.592 0.380 1.00 1.00 O ATOM 122 CB VAL A 10 -7.553 13.338 -2.740 1.00 1.00 C ATOM 123 CG1 VAL A 10 -8.821 12.506 -2.948 1.00 1.00 C ATOM 124 CG2 VAL A 10 -7.879 14.574 -1.900 1.00 1.00 C ATOM 0 H VAL A 10 -6.753 11.199 -3.653 1.00 1.00 H new ATOM 0 HA VAL A 10 -5.602 13.102 -1.876 1.00 1.00 H new ATOM 0 HB VAL A 10 -7.167 13.651 -3.710 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -9.571 13.108 -3.461 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -8.586 11.629 -3.550 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -9.210 12.188 -1.981 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -8.631 15.174 -2.412 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -8.263 14.263 -0.928 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -6.975 15.167 -1.760 1.00 1.00 H new ATOM 134 N ALA A 11 -7.930 11.099 -0.665 1.00 1.00 N ATOM 135 CA ALA A 11 -8.532 10.602 0.566 1.00 1.00 C ATOM 136 C ALA A 11 -7.485 10.438 1.659 1.00 1.00 C ATOM 137 O ALA A 11 -7.730 10.768 2.818 1.00 1.00 O ATOM 138 CB ALA A 11 -9.225 9.257 0.319 1.00 1.00 C ATOM 0 H ALA A 11 -8.276 10.652 -1.514 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.270 11.335 0.893 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -9.669 8.900 1.248 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -10.006 9.382 -0.431 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -8.494 8.531 -0.036 1.00 1.00 H new ATOM 144 N ILE A 12 -6.320 9.931 1.288 1.00 1.00 N ATOM 145 CA ILE A 12 -5.259 9.735 2.263 1.00 1.00 C ATOM 146 C ILE A 12 -4.813 11.057 2.866 1.00 1.00 C ATOM 147 O ILE A 12 -4.709 11.196 4.086 1.00 1.00 O ATOM 148 CB ILE A 12 -4.066 9.049 1.592 1.00 1.00 C ATOM 149 CG1 ILE A 12 -4.509 7.696 1.019 1.00 1.00 C ATOM 150 CG2 ILE A 12 -2.930 8.855 2.599 1.00 1.00 C ATOM 151 CD1 ILE A 12 -5.103 6.796 2.112 1.00 1.00 C ATOM 0 H ILE A 12 -6.087 9.652 0.335 1.00 1.00 H new ATOM 0 HA ILE A 12 -5.646 9.107 3.066 1.00 1.00 H new ATOM 0 HB ILE A 12 -3.700 9.678 0.780 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -5.248 7.855 0.234 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -3.657 7.197 0.557 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -2.088 8.366 2.108 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -2.613 9.825 2.982 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -3.278 8.235 3.425 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -5.407 5.845 1.675 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -4.354 6.617 2.883 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -5.970 7.286 2.555 1.00 1.00 H new ATOM 163 N GLN A 13 -4.517 12.010 2.001 1.00 1.00 N ATOM 164 CA GLN A 13 -4.041 13.308 2.458 1.00 1.00 C ATOM 165 C GLN A 13 -4.891 13.799 3.629 1.00 1.00 C ATOM 166 O GLN A 13 -4.358 14.255 4.640 1.00 1.00 O ATOM 167 CB GLN A 13 -4.054 14.332 1.302 1.00 1.00 C ATOM 168 CG GLN A 13 -2.669 14.977 1.173 1.00 1.00 C ATOM 169 CD GLN A 13 -2.310 15.681 2.483 1.00 1.00 C ATOM 170 OE1 GLN A 13 -2.874 16.731 2.787 1.00 1.00 O ATOM 171 NE2 GLN A 13 -1.419 15.156 3.301 1.00 1.00 N ATOM 0 H GLN A 13 -4.596 11.914 0.989 1.00 1.00 H new ATOM 0 HA GLN A 13 -3.012 13.201 2.800 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -4.325 13.839 0.369 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -4.807 15.097 1.489 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -1.923 14.218 0.940 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -2.664 15.692 0.350 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -0.949 14.285 3.053 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -1.200 15.620 4.182 1.00 1.00 H new ATOM 180 N GLU A 14 -6.201 13.702 3.489 1.00 1.00 N ATOM 181 CA GLU A 14 -7.095 14.135 4.545 1.00 1.00 C ATOM 182 C GLU A 14 -6.822 13.329 5.818 1.00 1.00 C ATOM 183 O GLU A 14 -6.748 13.883 6.915 1.00 1.00 O ATOM 184 CB GLU A 14 -8.540 13.931 4.083 1.00 1.00 C ATOM 185 CG GLU A 14 -8.841 14.848 2.889 1.00 1.00 C ATOM 186 CD GLU A 14 -8.774 16.310 3.314 1.00 1.00 C ATOM 187 OE1 GLU A 14 -8.874 16.565 4.503 1.00 1.00 O ATOM 188 OE2 GLU A 14 -8.627 17.153 2.445 1.00 1.00 O ATOM 0 H GLU A 14 -6.666 13.330 2.661 1.00 1.00 H new ATOM 0 HA GLU A 14 -6.931 15.190 4.764 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -8.698 12.890 3.802 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -9.227 14.148 4.901 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -8.124 14.662 2.089 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -9.830 14.623 2.490 1.00 1.00 H new ATOM 195 N THR A 15 -6.669 12.016 5.649 1.00 1.00 N ATOM 196 CA THR A 15 -6.401 11.117 6.778 1.00 1.00 C ATOM 197 C THR A 15 -4.996 11.329 7.332 1.00 1.00 C ATOM 198 O THR A 15 -4.749 11.118 8.519 1.00 1.00 O ATOM 199 CB THR A 15 -6.543 9.655 6.347 1.00 1.00 C ATOM 200 OG1 THR A 15 -5.573 9.365 5.355 1.00 1.00 O ATOM 201 CG2 THR A 15 -7.946 9.405 5.786 1.00 1.00 C ATOM 0 H THR A 15 -6.725 11.549 4.744 1.00 1.00 H new ATOM 0 HA THR A 15 -7.131 11.347 7.554 1.00 1.00 H new ATOM 0 HB THR A 15 -6.390 9.008 7.211 1.00 1.00 H new ATOM 0 HG1 THR A 15 -5.244 10.202 4.964 1.00 1.00 H new ATOM 0 HG21 THR A 15 -8.036 8.362 5.482 1.00 1.00 H new ATOM 0 HG22 THR A 15 -8.689 9.625 6.553 1.00 1.00 H new ATOM 0 HG23 THR A 15 -8.113 10.050 4.923 1.00 1.00 H new ATOM 209 N LEU A 16 -4.063 11.719 6.463 1.00 1.00 N ATOM 210 CA LEU A 16 -2.676 11.928 6.886 1.00 1.00 C ATOM 211 C LEU A 16 -2.507 13.326 7.468 1.00 1.00 C ATOM 212 O LEU A 16 -3.249 14.248 7.122 1.00 1.00 O ATOM 213 CB LEU A 16 -1.727 11.737 5.694 1.00 1.00 C ATOM 214 CG LEU A 16 -0.282 11.498 6.180 1.00 1.00 C ATOM 215 CD1 LEU A 16 -0.162 10.135 6.898 1.00 1.00 C ATOM 216 CD2 LEU A 16 0.663 11.528 4.965 1.00 1.00 C ATOM 0 H LEU A 16 -4.238 11.895 5.474 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.431 11.196 7.655 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.058 10.891 5.091 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -1.759 12.618 5.052 1.00 1.00 H new ATOM 0 HG LEU A 16 -0.011 12.281 6.888 1.00 1.00 H new ATOM 0 HD11 LEU A 16 0.865 9.989 7.232 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -0.829 10.118 7.760 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -0.437 9.336 6.210 1.00 1.00 H new ATOM 0 HD21 LEU A 16 1.688 11.360 5.297 1.00 1.00 H new ATOM 0 HD22 LEU A 16 0.377 10.746 4.262 1.00 1.00 H new ATOM 0 HD23 LEU A 16 0.595 12.499 4.475 1.00 1.00 H new ATOM 228 N VAL A 17 -1.528 13.476 8.350 1.00 1.00 N ATOM 229 CA VAL A 17 -1.268 14.763 8.971 1.00 1.00 C ATOM 230 C VAL A 17 -0.429 15.608 8.023 1.00 1.00 C ATOM 231 O VAL A 17 -0.119 15.179 6.913 1.00 1.00 O ATOM 232 CB VAL A 17 -0.530 14.572 10.309 1.00 1.00 C ATOM 233 CG1 VAL A 17 -1.397 13.759 11.283 1.00 1.00 C ATOM 234 CG2 VAL A 17 0.783 13.829 10.067 1.00 1.00 C ATOM 0 H VAL A 17 -0.905 12.726 8.649 1.00 1.00 H new ATOM 0 HA VAL A 17 -2.213 15.268 9.172 1.00 1.00 H new ATOM 0 HB VAL A 17 -0.328 15.552 10.741 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -0.864 13.631 12.225 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -2.333 14.287 11.465 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -1.610 12.781 10.851 1.00 1.00 H new ATOM 0 HG21 VAL A 17 1.305 13.694 11.014 1.00 1.00 H new ATOM 0 HG22 VAL A 17 0.574 12.854 9.626 1.00 1.00 H new ATOM 0 HG23 VAL A 17 1.409 14.408 9.387 1.00 1.00 H new ATOM 244 N GLU A 18 -0.087 16.812 8.446 1.00 1.00 N ATOM 245 CA GLU A 18 0.695 17.716 7.613 1.00 1.00 C ATOM 246 C GLU A 18 2.164 17.300 7.548 1.00 1.00 C ATOM 247 O GLU A 18 2.545 16.226 8.012 1.00 1.00 O ATOM 248 CB GLU A 18 0.589 19.135 8.163 1.00 1.00 C ATOM 249 CG GLU A 18 1.159 19.175 9.583 1.00 1.00 C ATOM 250 CD GLU A 18 0.988 20.567 10.172 1.00 1.00 C ATOM 251 OE1 GLU A 18 -0.039 21.173 9.919 1.00 1.00 O ATOM 252 OE2 GLU A 18 1.888 21.010 10.866 1.00 1.00 O ATOM 0 H GLU A 18 -0.337 17.189 9.360 1.00 1.00 H new ATOM 0 HA GLU A 18 0.291 17.673 6.601 1.00 1.00 H new ATOM 0 HB2 GLU A 18 1.134 19.827 7.521 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.452 19.458 8.168 1.00 1.00 H new ATOM 0 HG2 GLU A 18 0.651 18.441 10.209 1.00 1.00 H new ATOM 0 HG3 GLU A 18 2.215 18.904 9.568 1.00 1.00 H new ATOM 259 N GLY A 19 2.979 18.181 6.979 1.00 1.00 N ATOM 260 CA GLY A 19 4.415 17.943 6.859 1.00 1.00 C ATOM 261 C GLY A 19 4.725 16.730 5.985 1.00 1.00 C ATOM 262 O GLY A 19 5.738 16.707 5.288 1.00 1.00 O ATOM 0 H GLY A 19 2.669 19.072 6.591 1.00 1.00 H new ATOM 0 HA2 GLY A 19 4.894 18.826 6.436 1.00 1.00 H new ATOM 0 HA3 GLY A 19 4.841 17.793 7.851 1.00 1.00 H new ATOM 266 N GLU A 20 3.853 15.719 6.027 1.00 1.00 N ATOM 267 CA GLU A 20 4.064 14.513 5.234 1.00 1.00 C ATOM 268 C GLU A 20 3.556 14.696 3.806 1.00 1.00 C ATOM 269 O GLU A 20 2.898 15.686 3.482 1.00 1.00 O ATOM 270 CB GLU A 20 3.380 13.316 5.894 1.00 1.00 C ATOM 271 CG GLU A 20 4.118 12.951 7.186 1.00 1.00 C ATOM 272 CD GLU A 20 3.366 11.850 7.927 1.00 1.00 C ATOM 273 OE1 GLU A 20 2.340 11.422 7.428 1.00 1.00 O ATOM 274 OE2 GLU A 20 3.827 11.452 8.985 1.00 1.00 O ATOM 0 H GLU A 20 3.006 15.714 6.595 1.00 1.00 H new ATOM 0 HA GLU A 20 5.136 14.323 5.188 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.339 13.554 6.113 1.00 1.00 H new ATOM 0 HB3 GLU A 20 3.376 12.465 5.213 1.00 1.00 H new ATOM 0 HG2 GLU A 20 5.130 12.618 6.954 1.00 1.00 H new ATOM 0 HG3 GLU A 20 4.210 13.831 7.822 1.00 1.00 H new ATOM 281 N TYR A 21 3.903 13.736 2.955 1.00 1.00 N ATOM 282 CA TYR A 21 3.527 13.780 1.542 1.00 1.00 C ATOM 283 C TYR A 21 3.164 12.399 1.018 1.00 1.00 C ATOM 284 O TYR A 21 3.993 11.492 1.017 1.00 1.00 O ATOM 285 CB TYR A 21 4.714 14.317 0.742 1.00 1.00 C ATOM 286 CG TYR A 21 4.301 14.584 -0.681 1.00 1.00 C ATOM 287 CD1 TYR A 21 3.730 15.813 -1.024 1.00 1.00 C ATOM 288 CD2 TYR A 21 4.499 13.605 -1.660 1.00 1.00 C ATOM 289 CE1 TYR A 21 3.352 16.063 -2.347 1.00 1.00 C ATOM 290 CE2 TYR A 21 4.122 13.853 -2.983 1.00 1.00 C ATOM 291 CZ TYR A 21 3.548 15.084 -3.327 1.00 1.00 C ATOM 292 OH TYR A 21 3.174 15.329 -4.632 1.00 1.00 O ATOM 0 H TYR A 21 4.446 12.914 3.218 1.00 1.00 H new ATOM 0 HA TYR A 21 2.654 14.424 1.434 1.00 1.00 H new ATOM 0 HB2 TYR A 21 5.085 15.234 1.199 1.00 1.00 H new ATOM 0 HB3 TYR A 21 5.532 13.597 0.762 1.00 1.00 H new ATOM 0 HD1 TYR A 21 3.581 16.569 -0.268 1.00 1.00 H new ATOM 0 HD2 TYR A 21 4.943 12.657 -1.394 1.00 1.00 H new ATOM 0 HE1 TYR A 21 2.909 17.012 -2.612 1.00 1.00 H new ATOM 0 HE2 TYR A 21 4.273 13.097 -3.739 1.00 1.00 H new ATOM 0 HH TYR A 21 3.381 14.546 -5.184 1.00 1.00 H new ATOM 302 N CYS A 22 1.936 12.260 0.520 1.00 1.00 N ATOM 303 CA CYS A 22 1.497 10.994 -0.064 1.00 1.00 C ATOM 304 C CYS A 22 1.773 11.053 -1.558 1.00 1.00 C ATOM 305 O CYS A 22 1.577 12.093 -2.188 1.00 1.00 O ATOM 306 CB CYS A 22 0.005 10.757 0.202 1.00 1.00 C ATOM 307 SG CYS A 22 -0.598 9.428 -0.872 1.00 1.00 S ATOM 0 H CYS A 22 1.234 13.000 0.509 1.00 1.00 H new ATOM 0 HA CYS A 22 2.040 10.164 0.389 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -0.151 10.493 1.248 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -0.558 11.672 0.017 1.00 1.00 H new ATOM 0 HG CYS A 22 -1.862 9.226 -0.645 1.00 1.00 H new ATOM 313 N VAL A 23 2.228 9.947 -2.132 1.00 1.00 N ATOM 314 CA VAL A 23 2.541 9.898 -3.566 1.00 1.00 C ATOM 315 C VAL A 23 1.429 9.225 -4.365 1.00 1.00 C ATOM 316 O VAL A 23 1.080 9.667 -5.459 1.00 1.00 O ATOM 317 CB VAL A 23 3.829 9.097 -3.756 1.00 1.00 C ATOM 318 CG1 VAL A 23 4.214 9.044 -5.237 1.00 1.00 C ATOM 319 CG2 VAL A 23 4.950 9.755 -2.953 1.00 1.00 C ATOM 0 H VAL A 23 2.390 9.072 -1.634 1.00 1.00 H new ATOM 0 HA VAL A 23 2.650 10.921 -3.927 1.00 1.00 H new ATOM 0 HB VAL A 23 3.671 8.077 -3.404 1.00 1.00 H new ATOM 0 HG11 VAL A 23 5.133 8.470 -5.354 1.00 1.00 H new ATOM 0 HG12 VAL A 23 3.414 8.568 -5.804 1.00 1.00 H new ATOM 0 HG13 VAL A 23 4.369 10.057 -5.609 1.00 1.00 H new ATOM 0 HG21 VAL A 23 5.872 9.189 -3.084 1.00 1.00 H new ATOM 0 HG22 VAL A 23 5.098 10.776 -3.304 1.00 1.00 H new ATOM 0 HG23 VAL A 23 4.680 9.770 -1.897 1.00 1.00 H new ATOM 329 N ILE A 24 0.893 8.140 -3.826 1.00 1.00 N ATOM 330 CA ILE A 24 -0.155 7.409 -4.522 1.00 1.00 C ATOM 331 C ILE A 24 -0.874 6.452 -3.576 1.00 1.00 C ATOM 332 O ILE A 24 -0.278 5.916 -2.637 1.00 1.00 O ATOM 333 CB ILE A 24 0.480 6.662 -5.709 1.00 1.00 C ATOM 334 CG1 ILE A 24 -0.574 5.877 -6.507 1.00 1.00 C ATOM 335 CG2 ILE A 24 1.553 5.697 -5.206 1.00 1.00 C ATOM 336 CD1 ILE A 24 -1.571 6.837 -7.166 1.00 1.00 C ATOM 0 H ILE A 24 1.161 7.751 -2.922 1.00 1.00 H new ATOM 0 HA ILE A 24 -0.908 8.103 -4.895 1.00 1.00 H new ATOM 0 HB ILE A 24 0.928 7.406 -6.367 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -0.085 5.271 -7.270 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -1.103 5.191 -5.846 1.00 1.00 H new ATOM 0 HG21 ILE A 24 1.997 5.173 -6.053 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.327 6.256 -4.679 1.00 1.00 H new ATOM 0 HG23 ILE A 24 1.102 4.973 -4.527 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -2.310 6.265 -7.727 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -2.073 7.424 -6.397 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -1.039 7.505 -7.843 1.00 1.00 H new ATOM 348 N ALA A 25 -2.159 6.248 -3.836 1.00 1.00 N ATOM 349 CA ALA A 25 -2.979 5.356 -3.023 1.00 1.00 C ATOM 350 C ALA A 25 -4.025 4.700 -3.887 1.00 1.00 C ATOM 351 O ALA A 25 -4.948 5.359 -4.366 1.00 1.00 O ATOM 352 CB ALA A 25 -3.663 6.142 -1.888 1.00 1.00 C ATOM 0 H ALA A 25 -2.659 6.690 -4.607 1.00 1.00 H new ATOM 0 HA ALA A 25 -2.337 4.592 -2.584 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -4.271 5.463 -1.290 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -2.904 6.602 -1.255 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -4.298 6.918 -2.315 1.00 1.00 H new ATOM 358 N VAL A 26 -3.863 3.401 -4.108 1.00 1.00 N ATOM 359 CA VAL A 26 -4.798 2.671 -4.945 1.00 1.00 C ATOM 360 C VAL A 26 -5.776 1.919 -4.071 1.00 1.00 C ATOM 361 O VAL A 26 -5.781 2.091 -2.857 1.00 1.00 O ATOM 362 CB VAL A 26 -4.045 1.695 -5.850 1.00 1.00 C ATOM 363 CG1 VAL A 26 -3.075 2.478 -6.744 1.00 1.00 C ATOM 364 CG2 VAL A 26 -3.274 0.675 -5.004 1.00 1.00 C ATOM 0 H VAL A 26 -3.103 2.840 -3.724 1.00 1.00 H new ATOM 0 HA VAL A 26 -5.344 3.376 -5.572 1.00 1.00 H new ATOM 0 HB VAL A 26 -4.760 1.158 -6.473 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -2.536 1.785 -7.391 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -3.635 3.185 -7.356 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -2.364 3.021 -6.121 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -2.742 -0.014 -5.660 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -2.558 1.196 -4.368 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -3.973 0.117 -4.381 1.00 1.00 H new ATOM 374 N GLN A 27 -6.603 1.080 -4.683 1.00 1.00 N ATOM 375 CA GLN A 27 -7.582 0.308 -3.931 1.00 1.00 C ATOM 376 C GLN A 27 -7.599 -1.129 -4.427 1.00 1.00 C ATOM 377 O GLN A 27 -7.841 -1.385 -5.609 1.00 1.00 O ATOM 378 CB GLN A 27 -8.966 0.949 -4.095 1.00 1.00 C ATOM 379 CG GLN A 27 -9.879 0.572 -2.925 1.00 1.00 C ATOM 380 CD GLN A 27 -10.344 -0.869 -3.077 1.00 1.00 C ATOM 381 OE1 GLN A 27 -10.199 -1.461 -4.146 1.00 1.00 O ATOM 382 NE2 GLN A 27 -10.900 -1.468 -2.062 1.00 1.00 N ATOM 0 H GLN A 27 -6.615 0.918 -5.690 1.00 1.00 H new ATOM 0 HA GLN A 27 -7.314 0.305 -2.874 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -8.866 2.033 -4.150 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.415 0.622 -5.033 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.346 0.694 -1.982 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -10.740 1.240 -2.894 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.017 -0.972 -1.179 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -11.218 -2.433 -2.151 1.00 1.00 H new ATOM 391 N GLY A 28 -7.328 -2.066 -3.519 1.00 1.00 N ATOM 392 CA GLY A 28 -7.299 -3.483 -3.875 1.00 1.00 C ATOM 393 C GLY A 28 -8.220 -4.294 -2.983 1.00 1.00 C ATOM 394 O GLY A 28 -9.093 -3.754 -2.306 1.00 1.00 O ATOM 0 H GLY A 28 -7.127 -1.871 -2.538 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -7.598 -3.605 -4.916 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -6.280 -3.861 -3.789 1.00 1.00 H new ATOM 398 N VAL A 29 -7.995 -5.597 -2.977 1.00 1.00 N ATOM 399 CA VAL A 29 -8.778 -6.510 -2.158 1.00 1.00 C ATOM 400 C VAL A 29 -7.870 -7.575 -1.575 1.00 1.00 C ATOM 401 O VAL A 29 -6.781 -7.823 -2.081 1.00 1.00 O ATOM 402 CB VAL A 29 -9.886 -7.160 -2.992 1.00 1.00 C ATOM 403 CG1 VAL A 29 -10.763 -8.044 -2.099 1.00 1.00 C ATOM 404 CG2 VAL A 29 -10.749 -6.067 -3.627 1.00 1.00 C ATOM 0 H VAL A 29 -7.271 -6.050 -3.534 1.00 1.00 H new ATOM 0 HA VAL A 29 -9.242 -5.949 -1.347 1.00 1.00 H new ATOM 0 HB VAL A 29 -9.435 -7.774 -3.771 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -11.548 -8.502 -2.700 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -10.151 -8.824 -1.646 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -11.214 -7.435 -1.315 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -11.539 -6.526 -4.221 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -11.194 -5.454 -2.843 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -10.129 -5.441 -4.269 1.00 1.00 H new ATOM 414 N LEU A 30 -8.352 -8.232 -0.542 1.00 1.00 N ATOM 415 CA LEU A 30 -7.619 -9.315 0.090 1.00 1.00 C ATOM 416 C LEU A 30 -8.610 -10.403 0.438 1.00 1.00 C ATOM 417 O LEU A 30 -9.587 -10.142 1.139 1.00 1.00 O ATOM 418 CB LEU A 30 -6.913 -8.811 1.354 1.00 1.00 C ATOM 419 CG LEU A 30 -6.034 -9.938 1.968 1.00 1.00 C ATOM 420 CD1 LEU A 30 -4.719 -9.351 2.511 1.00 1.00 C ATOM 421 CD2 LEU A 30 -6.794 -10.630 3.117 1.00 1.00 C ATOM 0 H LEU A 30 -9.258 -8.034 -0.116 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.856 -9.702 -0.586 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.293 -7.948 1.113 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.652 -8.479 2.083 1.00 1.00 H new ATOM 0 HG LEU A 30 -5.808 -10.666 1.189 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.113 -10.150 2.938 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.171 -8.874 1.699 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.941 -8.613 3.281 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.172 -11.418 3.542 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.031 -9.898 3.889 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.717 -11.064 2.733 1.00 1.00 H new ATOM 433 N CYS A 31 -8.390 -11.617 -0.055 1.00 1.00 N ATOM 434 CA CYS A 31 -9.312 -12.712 0.217 1.00 1.00 C ATOM 435 C CYS A 31 -8.712 -13.699 1.197 1.00 1.00 C ATOM 436 O CYS A 31 -7.610 -14.208 0.991 1.00 1.00 O ATOM 437 CB CYS A 31 -9.643 -13.437 -1.092 1.00 1.00 C ATOM 438 SG CYS A 31 -9.784 -12.227 -2.428 1.00 1.00 S ATOM 0 H CYS A 31 -7.591 -11.865 -0.638 1.00 1.00 H new ATOM 0 HA CYS A 31 -10.219 -12.296 0.656 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -8.865 -14.164 -1.325 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -10.576 -13.991 -0.988 1.00 1.00 H new ATOM 0 HG CYS A 31 -10.063 -12.839 -3.540 1.00 1.00 H new ATOM 444 N LYS A 32 -9.475 -14.005 2.233 1.00 1.00 N ATOM 445 CA LYS A 32 -9.052 -14.981 3.227 1.00 1.00 C ATOM 446 C LYS A 32 -10.151 -16.015 3.393 1.00 1.00 C ATOM 447 O LYS A 32 -11.303 -15.673 3.663 1.00 1.00 O ATOM 448 CB LYS A 32 -8.762 -14.311 4.570 1.00 1.00 C ATOM 449 CG LYS A 32 -7.986 -15.294 5.452 1.00 1.00 C ATOM 450 CD LYS A 32 -7.928 -14.774 6.888 1.00 1.00 C ATOM 451 CE LYS A 32 -7.213 -13.423 6.916 1.00 1.00 C ATOM 452 NZ LYS A 32 -6.783 -13.115 8.309 1.00 1.00 N ATOM 0 H LYS A 32 -10.391 -13.592 2.409 1.00 1.00 H new ATOM 0 HA LYS A 32 -8.133 -15.458 2.887 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -8.183 -13.400 4.420 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -9.693 -14.021 5.056 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -8.466 -16.272 5.430 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -6.976 -15.425 5.063 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -8.936 -14.672 7.289 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -7.403 -15.488 7.523 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -6.348 -13.444 6.254 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -7.877 -12.641 6.548 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -6.297 -12.196 8.327 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -7.617 -13.078 8.929 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -6.135 -13.856 8.644 1.00 1.00 H new ATOM 466 N GLY A 33 -9.791 -17.279 3.218 1.00 1.00 N ATOM 467 CA GLY A 33 -10.757 -18.359 3.341 1.00 1.00 C ATOM 468 C GLY A 33 -11.886 -18.203 2.330 1.00 1.00 C ATOM 469 O GLY A 33 -11.658 -18.186 1.120 1.00 1.00 O ATOM 0 H GLY A 33 -8.843 -17.580 2.992 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -10.258 -19.316 3.189 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -11.168 -18.370 4.351 1.00 1.00 H new ATOM 473 N ASP A 34 -13.109 -18.072 2.843 1.00 1.00 N ATOM 474 CA ASP A 34 -14.292 -17.898 2.000 1.00 1.00 C ATOM 475 C ASP A 34 -14.985 -16.588 2.362 1.00 1.00 C ATOM 476 O ASP A 34 -16.213 -16.495 2.360 1.00 1.00 O ATOM 477 CB ASP A 34 -15.253 -19.077 2.193 1.00 1.00 C ATOM 478 CG ASP A 34 -15.719 -19.150 3.643 1.00 1.00 C ATOM 479 OD1 ASP A 34 -15.457 -18.214 4.378 1.00 1.00 O ATOM 480 OD2 ASP A 34 -16.336 -20.143 3.996 1.00 1.00 O ATOM 0 H ASP A 34 -13.307 -18.083 3.844 1.00 1.00 H new ATOM 0 HA ASP A 34 -13.989 -17.865 0.954 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -16.113 -18.965 1.533 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -14.758 -20.008 1.916 1.00 1.00 H new ATOM 485 N SER A 35 -14.171 -15.575 2.670 1.00 1.00 N ATOM 486 CA SER A 35 -14.672 -14.251 3.034 1.00 1.00 C ATOM 487 C SER A 35 -13.795 -13.182 2.387 1.00 1.00 C ATOM 488 O SER A 35 -12.572 -13.219 2.517 1.00 1.00 O ATOM 489 CB SER A 35 -14.631 -14.079 4.554 1.00 1.00 C ATOM 490 OG SER A 35 -15.292 -12.874 4.914 1.00 1.00 O ATOM 0 H SER A 35 -13.154 -15.650 2.674 1.00 1.00 H new ATOM 0 HA SER A 35 -15.700 -14.150 2.685 1.00 1.00 H new ATOM 0 HB2 SER A 35 -15.111 -14.928 5.040 1.00 1.00 H new ATOM 0 HB3 SER A 35 -13.598 -14.056 4.900 1.00 1.00 H new ATOM 0 HG SER A 35 -15.267 -12.765 5.888 1.00 1.00 H new ATOM 496 N ARG A 36 -14.415 -12.243 1.678 1.00 1.00 N ATOM 497 CA ARG A 36 -13.660 -11.185 1.003 1.00 1.00 C ATOM 498 C ARG A 36 -13.448 -9.994 1.925 1.00 1.00 C ATOM 499 O ARG A 36 -14.314 -9.650 2.730 1.00 1.00 O ATOM 500 CB ARG A 36 -14.405 -10.742 -0.263 1.00 1.00 C ATOM 501 CG ARG A 36 -13.425 -10.077 -1.255 1.00 1.00 C ATOM 502 CD ARG A 36 -12.786 -11.146 -2.152 1.00 1.00 C ATOM 503 NE ARG A 36 -13.797 -11.734 -3.027 1.00 1.00 N ATOM 504 CZ ARG A 36 -14.137 -11.154 -4.172 1.00 1.00 C ATOM 505 NH1 ARG A 36 -13.560 -10.043 -4.537 1.00 1.00 N ATOM 506 NH2 ARG A 36 -15.047 -11.697 -4.933 1.00 1.00 N ATOM 0 H ARG A 36 -15.426 -12.190 1.555 1.00 1.00 H new ATOM 0 HA ARG A 36 -12.682 -11.581 0.729 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -14.881 -11.602 -0.733 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -15.198 -10.042 -0.001 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -13.953 -9.345 -1.866 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -12.651 -9.538 -0.709 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -11.990 -10.702 -2.750 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -12.329 -11.922 -1.538 1.00 1.00 H new ATOM 0 HE ARG A 36 -14.250 -12.606 -2.753 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -12.847 -9.619 -3.943 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -13.821 -9.598 -5.417 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -15.497 -12.567 -4.648 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -15.308 -11.252 -5.813 1.00 1.00 H new ATOM 520 N GLN A 37 -12.275 -9.371 1.804 1.00 1.00 N ATOM 521 CA GLN A 37 -11.929 -8.217 2.631 1.00 1.00 C ATOM 522 C GLN A 37 -11.377 -7.085 1.767 1.00 1.00 C ATOM 523 O GLN A 37 -10.380 -7.247 1.068 1.00 1.00 O ATOM 524 CB GLN A 37 -10.876 -8.637 3.658 1.00 1.00 C ATOM 525 CG GLN A 37 -11.463 -9.735 4.551 1.00 1.00 C ATOM 526 CD GLN A 37 -10.373 -10.340 5.427 1.00 1.00 C ATOM 527 OE1 GLN A 37 -10.108 -9.853 6.528 1.00 1.00 O ATOM 528 NE2 GLN A 37 -9.724 -11.385 4.994 1.00 1.00 N ATOM 0 H GLN A 37 -11.550 -9.647 1.142 1.00 1.00 H new ATOM 0 HA GLN A 37 -12.825 -7.861 3.138 1.00 1.00 H new ATOM 0 HB2 GLN A 37 -9.981 -9.000 3.153 1.00 1.00 H new ATOM 0 HB3 GLN A 37 -10.576 -7.781 4.262 1.00 1.00 H new ATOM 0 HG2 GLN A 37 -12.254 -9.321 5.176 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -11.917 -10.511 3.935 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -9.948 -11.783 4.082 1.00 1.00 H new ATOM 0 HE22 GLN A 37 -8.992 -11.804 5.567 1.00 1.00 H new ATOM 537 N SER A 38 -12.038 -5.937 1.839 1.00 1.00 N ATOM 538 CA SER A 38 -11.611 -4.770 1.071 1.00 1.00 C ATOM 539 C SER A 38 -10.577 -3.986 1.867 1.00 1.00 C ATOM 540 O SER A 38 -10.798 -3.637 3.026 1.00 1.00 O ATOM 541 CB SER A 38 -12.808 -3.887 0.730 1.00 1.00 C ATOM 542 OG SER A 38 -13.895 -4.712 0.333 1.00 1.00 O ATOM 0 H SER A 38 -12.866 -5.787 2.416 1.00 1.00 H new ATOM 0 HA SER A 38 -11.161 -5.104 0.136 1.00 1.00 H new ATOM 0 HB2 SER A 38 -13.089 -3.284 1.594 1.00 1.00 H new ATOM 0 HB3 SER A 38 -12.549 -3.195 -0.071 1.00 1.00 H new ATOM 0 HG SER A 38 -14.668 -4.151 0.114 1.00 1.00 H new ATOM 548 N ARG A 39 -9.434 -3.733 1.228 1.00 1.00 N ATOM 549 CA ARG A 39 -8.332 -3.009 1.859 1.00 1.00 C ATOM 550 C ARG A 39 -7.826 -1.893 0.954 1.00 1.00 C ATOM 551 O ARG A 39 -7.991 -1.934 -0.263 1.00 1.00 O ATOM 552 CB ARG A 39 -7.179 -3.971 2.155 1.00 1.00 C ATOM 553 CG ARG A 39 -7.562 -4.912 3.303 1.00 1.00 C ATOM 554 CD ARG A 39 -6.370 -5.811 3.651 1.00 1.00 C ATOM 555 NE ARG A 39 -6.729 -6.742 4.722 1.00 1.00 N ATOM 556 CZ ARG A 39 -6.597 -6.420 6.008 1.00 1.00 C ATOM 557 NH1 ARG A 39 -6.159 -5.237 6.349 1.00 1.00 N ATOM 558 NH2 ARG A 39 -6.914 -7.287 6.930 1.00 1.00 N ATOM 0 H ARG A 39 -9.248 -4.021 0.268 1.00 1.00 H new ATOM 0 HA ARG A 39 -8.702 -2.573 2.787 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -6.940 -4.551 1.263 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -6.284 -3.408 2.419 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -7.861 -4.333 4.177 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -8.419 -5.522 3.016 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -6.055 -6.367 2.768 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -5.523 -5.199 3.961 1.00 1.00 H new ATOM 0 HE ARG A 39 -7.091 -7.664 4.477 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -5.917 -4.556 5.629 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -6.059 -4.995 7.335 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -7.262 -8.209 6.665 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -6.814 -7.043 7.915 1.00 1.00 H new ATOM 572 N LEU A 40 -7.209 -0.891 1.572 1.00 1.00 N ATOM 573 CA LEU A 40 -6.670 0.255 0.837 1.00 1.00 C ATOM 574 C LEU A 40 -5.236 0.519 1.278 1.00 1.00 C ATOM 575 O LEU A 40 -4.942 0.532 2.468 1.00 1.00 O ATOM 576 CB LEU A 40 -7.562 1.482 1.088 1.00 1.00 C ATOM 577 CG LEU A 40 -7.252 2.613 0.077 1.00 1.00 C ATOM 578 CD1 LEU A 40 -8.521 3.424 -0.186 1.00 1.00 C ATOM 579 CD2 LEU A 40 -6.178 3.554 0.629 1.00 1.00 C ATOM 0 H LEU A 40 -7.068 -0.847 2.581 1.00 1.00 H new ATOM 0 HA LEU A 40 -6.662 0.044 -0.232 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -8.611 1.196 1.008 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -7.408 1.846 2.104 1.00 1.00 H new ATOM 0 HG LEU A 40 -6.892 2.158 -0.846 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -8.303 4.220 -0.898 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -9.291 2.771 -0.597 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -8.875 3.859 0.749 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -5.976 4.341 -0.097 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -6.529 4.000 1.559 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -5.264 2.991 0.819 1.00 1.00 H new ATOM 591 N LEU A 41 -4.333 0.700 0.311 1.00 1.00 N ATOM 592 CA LEU A 41 -2.918 0.927 0.629 1.00 1.00 C ATOM 593 C LEU A 41 -2.263 1.809 -0.420 1.00 1.00 C ATOM 594 O LEU A 41 -2.625 1.752 -1.596 1.00 1.00 O ATOM 595 CB LEU A 41 -2.174 -0.410 0.659 1.00 1.00 C ATOM 596 CG LEU A 41 -2.519 -1.256 -0.602 1.00 1.00 C ATOM 597 CD1 LEU A 41 -1.399 -1.143 -1.646 1.00 1.00 C ATOM 598 CD2 LEU A 41 -2.687 -2.727 -0.202 1.00 1.00 C ATOM 0 H LEU A 41 -4.550 0.694 -0.686 1.00 1.00 H new ATOM 0 HA LEU A 41 -2.867 1.417 1.601 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -1.099 -0.234 0.703 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -2.443 -0.962 1.559 1.00 1.00 H new ATOM 0 HG LEU A 41 -3.447 -0.879 -1.033 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -1.656 -1.740 -2.521 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -1.280 -0.100 -1.940 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -0.465 -1.508 -1.219 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -2.929 -3.319 -1.085 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -1.759 -3.093 0.237 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -3.493 -2.816 0.526 1.00 1.00 H new ATOM 610 N GLY A 42 -1.281 2.608 -0.005 1.00 1.00 N ATOM 611 CA GLY A 42 -0.573 3.486 -0.934 1.00 1.00 C ATOM 612 C GLY A 42 0.904 3.554 -0.576 1.00 1.00 C ATOM 613 O GLY A 42 1.435 2.665 0.084 1.00 1.00 O ATOM 0 H GLY A 42 -0.960 2.665 0.961 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -0.690 3.118 -1.953 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -1.008 4.485 -0.904 1.00 1.00 H new ATOM 617 N LEU A 43 1.557 4.629 -1.000 1.00 1.00 N ATOM 618 CA LEU A 43 2.975 4.841 -0.715 1.00 1.00 C ATOM 619 C LEU A 43 3.188 6.266 -0.226 1.00 1.00 C ATOM 620 O LEU A 43 2.601 7.208 -0.763 1.00 1.00 O ATOM 621 CB LEU A 43 3.802 4.571 -1.978 1.00 1.00 C ATOM 622 CG LEU A 43 5.287 4.865 -1.726 1.00 1.00 C ATOM 623 CD1 LEU A 43 5.806 4.047 -0.528 1.00 1.00 C ATOM 624 CD2 LEU A 43 6.091 4.512 -2.980 1.00 1.00 C ATOM 0 H LEU A 43 1.125 5.374 -1.547 1.00 1.00 H new ATOM 0 HA LEU A 43 3.300 4.152 0.065 1.00 1.00 H new ATOM 0 HB2 LEU A 43 3.679 3.532 -2.285 1.00 1.00 H new ATOM 0 HB3 LEU A 43 3.437 5.191 -2.797 1.00 1.00 H new ATOM 0 HG LEU A 43 5.404 5.924 -1.497 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.861 4.269 -0.365 1.00 1.00 H new ATOM 0 HD12 LEU A 43 5.238 4.309 0.365 1.00 1.00 H new ATOM 0 HD13 LEU A 43 5.687 2.983 -0.735 1.00 1.00 H new ATOM 0 HD21 LEU A 43 7.147 4.719 -2.806 1.00 1.00 H new ATOM 0 HD22 LEU A 43 5.962 3.454 -3.209 1.00 1.00 H new ATOM 0 HD23 LEU A 43 5.738 5.111 -3.819 1.00 1.00 H new ATOM 636 N VAL A 44 4.010 6.424 0.815 1.00 1.00 N ATOM 637 CA VAL A 44 4.263 7.748 1.384 1.00 1.00 C ATOM 638 C VAL A 44 5.749 8.059 1.440 1.00 1.00 C ATOM 639 O VAL A 44 6.560 7.248 1.890 1.00 1.00 O ATOM 640 CB VAL A 44 3.680 7.813 2.789 1.00 1.00 C ATOM 641 CG1 VAL A 44 3.960 9.181 3.405 1.00 1.00 C ATOM 642 CG2 VAL A 44 2.169 7.578 2.724 1.00 1.00 C ATOM 0 H VAL A 44 4.506 5.661 1.276 1.00 1.00 H new ATOM 0 HA VAL A 44 3.787 8.489 0.741 1.00 1.00 H new ATOM 0 HB VAL A 44 4.143 7.043 3.407 1.00 1.00 H new ATOM 0 HG11 VAL A 44 3.540 9.220 4.410 1.00 1.00 H new ATOM 0 HG12 VAL A 44 5.037 9.344 3.455 1.00 1.00 H new ATOM 0 HG13 VAL A 44 3.504 9.957 2.791 1.00 1.00 H new ATOM 0 HG21 VAL A 44 1.750 7.624 3.729 1.00 1.00 H new ATOM 0 HG22 VAL A 44 1.708 8.346 2.103 1.00 1.00 H new ATOM 0 HG23 VAL A 44 1.972 6.596 2.293 1.00 1.00 H new ATOM 652 N ARG A 45 6.087 9.267 1.002 1.00 1.00 N ATOM 653 CA ARG A 45 7.462 9.742 1.015 1.00 1.00 C ATOM 654 C ARG A 45 7.593 10.843 2.052 1.00 1.00 C ATOM 655 O ARG A 45 6.862 11.834 2.027 1.00 1.00 O ATOM 656 CB ARG A 45 7.839 10.285 -0.364 1.00 1.00 C ATOM 657 CG ARG A 45 9.313 10.698 -0.374 1.00 1.00 C ATOM 658 CD ARG A 45 9.675 11.227 -1.763 1.00 1.00 C ATOM 659 NE ARG A 45 8.911 12.436 -2.055 1.00 1.00 N ATOM 660 CZ ARG A 45 8.959 13.008 -3.254 1.00 1.00 C ATOM 661 NH1 ARG A 45 9.683 12.478 -4.202 1.00 1.00 N ATOM 662 NH2 ARG A 45 8.276 14.096 -3.485 1.00 1.00 N ATOM 0 H ARG A 45 5.417 9.940 0.630 1.00 1.00 H new ATOM 0 HA ARG A 45 8.131 8.918 1.264 1.00 1.00 H new ATOM 0 HB2 ARG A 45 7.659 9.526 -1.125 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.211 11.140 -0.612 1.00 1.00 H new ATOM 0 HG2 ARG A 45 9.494 11.465 0.379 1.00 1.00 H new ATOM 0 HG3 ARG A 45 9.944 9.846 -0.120 1.00 1.00 H new ATOM 0 HD2 ARG A 45 10.743 11.442 -1.812 1.00 1.00 H new ATOM 0 HD3 ARG A 45 9.468 10.466 -2.516 1.00 1.00 H new ATOM 0 HE ARG A 45 8.330 12.849 -1.326 1.00 1.00 H new ATOM 0 HH11 ARG A 45 10.212 11.625 -4.023 1.00 1.00 H new ATOM 0 HH12 ARG A 45 9.720 12.917 -5.122 1.00 1.00 H new ATOM 0 HH21 ARG A 45 7.706 14.507 -2.746 1.00 1.00 H new ATOM 0 HH22 ARG A 45 8.312 14.535 -4.405 1.00 1.00 H new ATOM 676 N TYR A 46 8.522 10.649 2.970 1.00 1.00 N ATOM 677 CA TYR A 46 8.764 11.603 4.041 1.00 1.00 C ATOM 678 C TYR A 46 10.140 12.243 3.857 1.00 1.00 C ATOM 679 O TYR A 46 11.117 11.549 3.576 1.00 1.00 O ATOM 680 CB TYR A 46 8.670 10.860 5.373 1.00 1.00 C ATOM 681 CG TYR A 46 9.017 11.786 6.508 1.00 1.00 C ATOM 682 CD1 TYR A 46 8.255 12.940 6.730 1.00 1.00 C ATOM 683 CD2 TYR A 46 10.104 11.494 7.338 1.00 1.00 C ATOM 684 CE1 TYR A 46 8.582 13.800 7.778 1.00 1.00 C ATOM 685 CE2 TYR A 46 10.430 12.351 8.388 1.00 1.00 C ATOM 686 CZ TYR A 46 9.672 13.507 8.609 1.00 1.00 C ATOM 687 OH TYR A 46 9.997 14.356 9.643 1.00 1.00 O ATOM 0 H TYR A 46 9.129 9.830 2.996 1.00 1.00 H new ATOM 0 HA TYR A 46 8.022 12.401 4.024 1.00 1.00 H new ATOM 0 HB2 TYR A 46 7.662 10.467 5.509 1.00 1.00 H new ATOM 0 HB3 TYR A 46 9.347 10.006 5.370 1.00 1.00 H new ATOM 0 HD1 TYR A 46 7.414 13.164 6.090 1.00 1.00 H new ATOM 0 HD2 TYR A 46 10.691 10.604 7.165 1.00 1.00 H new ATOM 0 HE1 TYR A 46 7.996 14.691 7.949 1.00 1.00 H new ATOM 0 HE2 TYR A 46 11.267 12.123 9.031 1.00 1.00 H new ATOM 0 HH TYR A 46 10.777 14.005 10.121 1.00 1.00 H new ATOM 697 N ARG A 47 10.211 13.573 3.983 1.00 1.00 N ATOM 698 CA ARG A 47 11.482 14.287 3.791 1.00 1.00 C ATOM 699 C ARG A 47 12.169 14.582 5.120 1.00 1.00 C ATOM 700 O ARG A 47 11.554 15.100 6.052 1.00 1.00 O ATOM 701 CB ARG A 47 11.236 15.609 3.048 1.00 1.00 C ATOM 702 CG ARG A 47 12.575 16.299 2.757 1.00 1.00 C ATOM 703 CD ARG A 47 12.331 17.605 1.997 1.00 1.00 C ATOM 704 NE ARG A 47 13.602 18.184 1.569 1.00 1.00 N ATOM 705 CZ ARG A 47 14.313 18.968 2.376 1.00 1.00 C ATOM 706 NH1 ARG A 47 13.871 19.249 3.570 1.00 1.00 N ATOM 707 NH2 ARG A 47 15.454 19.455 1.969 1.00 1.00 N ATOM 0 H ARG A 47 9.417 14.171 4.213 1.00 1.00 H new ATOM 0 HA ARG A 47 12.134 13.642 3.202 1.00 1.00 H new ATOM 0 HB2 ARG A 47 10.704 15.419 2.116 1.00 1.00 H new ATOM 0 HB3 ARG A 47 10.603 16.262 3.649 1.00 1.00 H new ATOM 0 HG2 ARG A 47 13.100 16.503 3.690 1.00 1.00 H new ATOM 0 HG3 ARG A 47 13.214 15.640 2.170 1.00 1.00 H new ATOM 0 HD2 ARG A 47 11.698 17.417 1.130 1.00 1.00 H new ATOM 0 HD3 ARG A 47 11.797 18.311 2.634 1.00 1.00 H new ATOM 0 HE ARG A 47 13.952 17.983 0.632 1.00 1.00 H new ATOM 0 HH11 ARG A 47 12.979 18.868 3.887 1.00 1.00 H new ATOM 0 HH12 ARG A 47 14.417 19.850 4.188 1.00 1.00 H new ATOM 0 HH21 ARG A 47 15.798 19.234 1.035 1.00 1.00 H new ATOM 0 HH22 ARG A 47 16.001 20.056 2.585 1.00 1.00 H new ATOM 721 N LEU A 48 13.461 14.251 5.191 1.00 1.00 N ATOM 722 CA LEU A 48 14.246 14.487 6.403 1.00 1.00 C ATOM 723 C LEU A 48 14.989 15.810 6.308 1.00 1.00 C ATOM 724 O LEU A 48 15.614 16.116 5.293 1.00 1.00 O ATOM 725 CB LEU A 48 15.263 13.351 6.616 1.00 1.00 C ATOM 726 CG LEU A 48 14.574 12.111 7.212 1.00 1.00 C ATOM 727 CD1 LEU A 48 14.260 12.337 8.697 1.00 1.00 C ATOM 728 CD2 LEU A 48 13.281 11.809 6.444 1.00 1.00 C ATOM 0 H LEU A 48 13.982 13.821 4.427 1.00 1.00 H new ATOM 0 HA LEU A 48 13.558 14.520 7.248 1.00 1.00 H new ATOM 0 HB2 LEU A 48 15.731 13.092 5.666 1.00 1.00 H new ATOM 0 HB3 LEU A 48 16.058 13.687 7.282 1.00 1.00 H new ATOM 0 HG LEU A 48 15.249 11.260 7.122 1.00 1.00 H new ATOM 0 HD11 LEU A 48 13.773 11.451 9.105 1.00 1.00 H new ATOM 0 HD12 LEU A 48 15.186 12.524 9.240 1.00 1.00 H new ATOM 0 HD13 LEU A 48 13.598 13.196 8.802 1.00 1.00 H new ATOM 0 HD21 LEU A 48 12.800 10.930 6.873 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.607 12.663 6.516 1.00 1.00 H new ATOM 0 HD23 LEU A 48 13.516 11.620 5.397 1.00 1.00 H new ATOM 740 N GLU A 49 14.914 16.583 7.383 1.00 1.00 N ATOM 741 CA GLU A 49 15.580 17.874 7.434 1.00 1.00 C ATOM 742 C GLU A 49 17.023 17.741 6.956 1.00 1.00 C ATOM 743 O GLU A 49 17.682 18.734 6.653 1.00 1.00 O ATOM 744 CB GLU A 49 15.552 18.410 8.866 1.00 1.00 C ATOM 745 CG GLU A 49 14.111 18.748 9.256 1.00 1.00 C ATOM 746 CD GLU A 49 14.054 19.182 10.718 1.00 1.00 C ATOM 747 OE1 GLU A 49 15.101 19.230 11.343 1.00 1.00 O ATOM 748 OE2 GLU A 49 12.964 19.459 11.190 1.00 1.00 O ATOM 0 H GLU A 49 14.399 16.338 8.229 1.00 1.00 H new ATOM 0 HA GLU A 49 15.057 18.570 6.779 1.00 1.00 H new ATOM 0 HB2 GLU A 49 15.961 17.668 9.552 1.00 1.00 H new ATOM 0 HB3 GLU A 49 16.179 19.298 8.946 1.00 1.00 H new ATOM 0 HG2 GLU A 49 13.730 19.544 8.617 1.00 1.00 H new ATOM 0 HG3 GLU A 49 13.470 17.880 9.101 1.00 1.00 H new ATOM 755 N ASN A 50 17.508 16.504 6.901 1.00 1.00 N ATOM 756 CA ASN A 50 18.878 16.247 6.467 1.00 1.00 C ATOM 757 C ASN A 50 18.972 16.300 4.940 1.00 1.00 C ATOM 758 O ASN A 50 20.015 15.991 4.359 1.00 1.00 O ATOM 759 CB ASN A 50 19.328 14.872 6.962 1.00 1.00 C ATOM 760 CG ASN A 50 19.368 14.859 8.486 1.00 1.00 C ATOM 761 OD1 ASN A 50 19.831 15.817 9.104 1.00 1.00 O ATOM 762 ND2 ASN A 50 18.905 13.824 9.131 1.00 1.00 N ATOM 0 H ASN A 50 16.977 15.669 7.150 1.00 1.00 H new ATOM 0 HA ASN A 50 19.528 17.015 6.887 1.00 1.00 H new ATOM 0 HB2 ASN A 50 18.645 14.104 6.601 1.00 1.00 H new ATOM 0 HB3 ASN A 50 20.314 14.636 6.561 1.00 1.00 H new ATOM 0 HD21 ASN A 50 18.926 13.807 10.151 1.00 1.00 H new ATOM 0 HD22 ASN A 50 18.522 13.032 8.616 1.00 1.00 H new ATOM 769 N ASP A 51 17.862 16.672 4.305 1.00 1.00 N ATOM 770 CA ASP A 51 17.788 16.749 2.847 1.00 1.00 C ATOM 771 C ASP A 51 17.574 15.350 2.289 1.00 1.00 C ATOM 772 O ASP A 51 17.524 15.148 1.077 1.00 1.00 O ATOM 773 CB ASP A 51 19.079 17.361 2.265 1.00 1.00 C ATOM 774 CG ASP A 51 18.788 18.135 0.975 1.00 1.00 C ATOM 775 OD1 ASP A 51 17.687 18.013 0.463 1.00 1.00 O ATOM 776 OD2 ASP A 51 19.672 18.845 0.520 1.00 1.00 O ATOM 0 H ASP A 51 16.996 16.926 4.781 1.00 1.00 H new ATOM 0 HA ASP A 51 16.954 17.392 2.564 1.00 1.00 H new ATOM 0 HB2 ASP A 51 19.532 18.028 2.999 1.00 1.00 H new ATOM 0 HB3 ASP A 51 19.802 16.570 2.063 1.00 1.00 H new ATOM 781 N ALA A 52 17.459 14.388 3.203 1.00 1.00 N ATOM 782 CA ALA A 52 17.260 12.992 2.842 1.00 1.00 C ATOM 783 C ALA A 52 15.777 12.648 2.844 1.00 1.00 C ATOM 784 O ALA A 52 14.964 13.322 3.476 1.00 1.00 O ATOM 785 CB ALA A 52 17.995 12.094 3.840 1.00 1.00 C ATOM 0 H ALA A 52 17.501 14.556 4.208 1.00 1.00 H new ATOM 0 HA ALA A 52 17.657 12.829 1.840 1.00 1.00 H new ATOM 0 HB1 ALA A 52 17.845 11.049 3.568 1.00 1.00 H new ATOM 0 HB2 ALA A 52 19.060 12.325 3.821 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.604 12.268 4.842 1.00 1.00 H new ATOM 791 N GLN A 53 15.440 11.592 2.122 1.00 1.00 N ATOM 792 CA GLN A 53 14.051 11.132 2.015 1.00 1.00 C ATOM 793 C GLN A 53 13.930 9.665 2.419 1.00 1.00 C ATOM 794 O GLN A 53 14.914 8.926 2.421 1.00 1.00 O ATOM 795 CB GLN A 53 13.565 11.296 0.573 1.00 1.00 C ATOM 796 CG GLN A 53 13.454 12.787 0.232 1.00 1.00 C ATOM 797 CD GLN A 53 14.830 13.360 -0.064 1.00 1.00 C ATOM 798 OE1 GLN A 53 15.461 12.991 -1.055 1.00 1.00 O ATOM 799 NE2 GLN A 53 15.340 14.237 0.751 1.00 1.00 N ATOM 0 H GLN A 53 16.108 11.029 1.596 1.00 1.00 H new ATOM 0 HA GLN A 53 13.439 11.733 2.688 1.00 1.00 H new ATOM 0 HB2 GLN A 53 14.257 10.807 -0.112 1.00 1.00 H new ATOM 0 HB3 GLN A 53 12.597 10.811 0.448 1.00 1.00 H new ATOM 0 HG2 GLN A 53 12.802 12.923 -0.631 1.00 1.00 H new ATOM 0 HG3 GLN A 53 12.999 13.325 1.064 1.00 1.00 H new ATOM 0 HE21 GLN A 53 14.813 14.539 1.570 1.00 1.00 H new ATOM 0 HE22 GLN A 53 16.267 14.622 0.570 1.00 1.00 H new ATOM 808 N GLU A 54 12.706 9.248 2.736 1.00 1.00 N ATOM 809 CA GLU A 54 12.445 7.859 3.120 1.00 1.00 C ATOM 810 C GLU A 54 11.072 7.420 2.613 1.00 1.00 C ATOM 811 O GLU A 54 10.139 8.221 2.543 1.00 1.00 O ATOM 812 CB GLU A 54 12.520 7.702 4.647 1.00 1.00 C ATOM 813 CG GLU A 54 12.415 6.216 5.026 1.00 1.00 C ATOM 814 CD GLU A 54 13.668 5.467 4.577 1.00 1.00 C ATOM 815 OE1 GLU A 54 14.613 6.120 4.163 1.00 1.00 O ATOM 816 OE2 GLU A 54 13.668 4.251 4.666 1.00 1.00 O ATOM 0 H GLU A 54 11.881 9.848 2.735 1.00 1.00 H new ATOM 0 HA GLU A 54 13.207 7.225 2.667 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.458 8.116 5.018 1.00 1.00 H new ATOM 0 HB3 GLU A 54 11.715 8.264 5.119 1.00 1.00 H new ATOM 0 HG2 GLU A 54 12.290 6.116 6.104 1.00 1.00 H new ATOM 0 HG3 GLU A 54 11.533 5.776 4.561 1.00 1.00 H new ATOM 823 N HIS A 55 10.964 6.139 2.254 1.00 1.00 N ATOM 824 CA HIS A 55 9.711 5.573 1.742 1.00 1.00 C ATOM 825 C HIS A 55 9.278 4.379 2.581 1.00 1.00 C ATOM 826 O HIS A 55 10.111 3.668 3.145 1.00 1.00 O ATOM 827 CB HIS A 55 9.903 5.104 0.299 1.00 1.00 C ATOM 828 CG HIS A 55 10.153 6.284 -0.592 1.00 1.00 C ATOM 829 ND1 HIS A 55 11.373 6.941 -0.619 1.00 1.00 N ATOM 830 CD2 HIS A 55 9.358 6.930 -1.505 1.00 1.00 C ATOM 831 CE1 HIS A 55 11.278 7.935 -1.519 1.00 1.00 C ATOM 832 NE2 HIS A 55 10.070 7.973 -2.090 1.00 1.00 N ATOM 0 H HIS A 55 11.732 5.470 2.308 1.00 1.00 H new ATOM 0 HA HIS A 55 8.947 6.349 1.790 1.00 1.00 H new ATOM 0 HB2 HIS A 55 10.741 4.410 0.242 1.00 1.00 H new ATOM 0 HB3 HIS A 55 9.018 4.564 -0.038 1.00 1.00 H new ATOM 0 HD1 HIS A 55 12.194 6.712 -0.058 1.00 1.00 H new ATOM 0 HD2 HIS A 55 8.336 6.669 -1.735 1.00 1.00 H new ATOM 0 HE1 HIS A 55 12.080 8.620 -1.752 1.00 1.00 H new ATOM 840 N ALA A 56 7.969 4.158 2.649 1.00 1.00 N ATOM 841 CA ALA A 56 7.418 3.042 3.406 1.00 1.00 C ATOM 842 C ALA A 56 6.021 2.709 2.875 1.00 1.00 C ATOM 843 O ALA A 56 5.313 3.590 2.397 1.00 1.00 O ATOM 844 CB ALA A 56 7.341 3.404 4.891 1.00 1.00 C ATOM 0 H ALA A 56 7.269 4.739 2.187 1.00 1.00 H new ATOM 0 HA ALA A 56 8.065 2.173 3.291 1.00 1.00 H new ATOM 0 HB1 ALA A 56 6.928 2.564 5.449 1.00 1.00 H new ATOM 0 HB2 ALA A 56 8.340 3.630 5.263 1.00 1.00 H new ATOM 0 HB3 ALA A 56 6.700 4.276 5.020 1.00 1.00 H new ATOM 850 N LEU A 57 5.625 1.444 2.963 1.00 1.00 N ATOM 851 CA LEU A 57 4.305 1.032 2.479 1.00 1.00 C ATOM 852 C LEU A 57 3.247 1.411 3.504 1.00 1.00 C ATOM 853 O LEU A 57 3.415 1.181 4.704 1.00 1.00 O ATOM 854 CB LEU A 57 4.285 -0.480 2.217 1.00 1.00 C ATOM 855 CG LEU A 57 2.940 -0.928 1.617 1.00 1.00 C ATOM 856 CD1 LEU A 57 2.808 -0.427 0.172 1.00 1.00 C ATOM 857 CD2 LEU A 57 2.852 -2.464 1.626 1.00 1.00 C ATOM 0 H LEU A 57 6.188 0.692 3.359 1.00 1.00 H new ATOM 0 HA LEU A 57 4.089 1.544 1.541 1.00 1.00 H new ATOM 0 HB2 LEU A 57 5.095 -0.744 1.536 1.00 1.00 H new ATOM 0 HB3 LEU A 57 4.465 -1.015 3.149 1.00 1.00 H new ATOM 0 HG LEU A 57 2.134 -0.508 2.219 1.00 1.00 H new ATOM 0 HD11 LEU A 57 1.852 -0.751 -0.240 1.00 1.00 H new ATOM 0 HD12 LEU A 57 2.858 0.662 0.158 1.00 1.00 H new ATOM 0 HD13 LEU A 57 3.620 -0.835 -0.430 1.00 1.00 H new ATOM 0 HD21 LEU A 57 1.898 -2.776 1.200 1.00 1.00 H new ATOM 0 HD22 LEU A 57 3.667 -2.879 1.033 1.00 1.00 H new ATOM 0 HD23 LEU A 57 2.928 -2.827 2.651 1.00 1.00 H new ATOM 869 N PHE A 58 2.163 2.018 3.027 1.00 1.00 N ATOM 870 CA PHE A 58 1.078 2.455 3.899 1.00 1.00 C ATOM 871 C PHE A 58 -0.163 1.606 3.664 1.00 1.00 C ATOM 872 O PHE A 58 -0.692 1.542 2.554 1.00 1.00 O ATOM 873 CB PHE A 58 0.769 3.941 3.621 1.00 1.00 C ATOM 874 CG PHE A 58 1.619 4.837 4.506 1.00 1.00 C ATOM 875 CD1 PHE A 58 3.004 4.638 4.595 1.00 1.00 C ATOM 876 CD2 PHE A 58 1.018 5.857 5.250 1.00 1.00 C ATOM 877 CE1 PHE A 58 3.778 5.455 5.426 1.00 1.00 C ATOM 878 CE2 PHE A 58 1.794 6.676 6.078 1.00 1.00 C ATOM 879 CZ PHE A 58 3.173 6.475 6.168 1.00 1.00 C ATOM 0 H PHE A 58 2.013 2.218 2.038 1.00 1.00 H new ATOM 0 HA PHE A 58 1.382 2.337 4.939 1.00 1.00 H new ATOM 0 HB2 PHE A 58 0.961 4.168 2.572 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -0.288 4.139 3.802 1.00 1.00 H new ATOM 0 HD1 PHE A 58 3.474 3.853 4.021 1.00 1.00 H new ATOM 0 HD2 PHE A 58 -0.049 6.013 5.185 1.00 1.00 H new ATOM 0 HE1 PHE A 58 4.844 5.298 5.495 1.00 1.00 H new ATOM 0 HE2 PHE A 58 1.326 7.465 6.648 1.00 1.00 H new ATOM 0 HZ PHE A 58 3.771 7.106 6.809 1.00 1.00 H new ATOM 889 N LEU A 59 -0.648 0.990 4.742 1.00 1.00 N ATOM 890 CA LEU A 59 -1.856 0.178 4.672 1.00 1.00 C ATOM 891 C LEU A 59 -2.991 0.945 5.346 1.00 1.00 C ATOM 892 O LEU A 59 -2.917 1.280 6.528 1.00 1.00 O ATOM 893 CB LEU A 59 -1.633 -1.173 5.379 1.00 1.00 C ATOM 894 CG LEU A 59 -2.542 -2.255 4.769 1.00 1.00 C ATOM 895 CD1 LEU A 59 -2.422 -3.551 5.578 1.00 1.00 C ATOM 896 CD2 LEU A 59 -4.001 -1.786 4.762 1.00 1.00 C ATOM 0 H LEU A 59 -0.223 1.039 5.668 1.00 1.00 H new ATOM 0 HA LEU A 59 -2.109 -0.023 3.631 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -0.589 -1.471 5.286 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -1.842 -1.072 6.444 1.00 1.00 H new ATOM 0 HG LEU A 59 -2.226 -2.437 3.742 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -3.068 -4.313 5.142 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -1.388 -3.897 5.560 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -2.725 -3.366 6.609 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -4.631 -2.562 4.328 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -4.324 -1.586 5.784 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -4.088 -0.875 4.170 1.00 1.00 H new ATOM 908 N TYR A 60 -4.027 1.218 4.575 1.00 1.00 N ATOM 909 CA TYR A 60 -5.199 1.941 5.051 1.00 1.00 C ATOM 910 C TYR A 60 -6.404 1.003 5.042 1.00 1.00 C ATOM 911 O TYR A 60 -6.721 0.428 4.004 1.00 1.00 O ATOM 912 CB TYR A 60 -5.469 3.108 4.088 1.00 1.00 C ATOM 913 CG TYR A 60 -4.617 4.304 4.436 1.00 1.00 C ATOM 914 CD1 TYR A 60 -5.034 5.184 5.437 1.00 1.00 C ATOM 915 CD2 TYR A 60 -3.419 4.539 3.753 1.00 1.00 C ATOM 916 CE1 TYR A 60 -4.252 6.297 5.762 1.00 1.00 C ATOM 917 CE2 TYR A 60 -2.637 5.651 4.076 1.00 1.00 C ATOM 918 CZ TYR A 60 -3.052 6.530 5.084 1.00 1.00 C ATOM 919 OH TYR A 60 -2.276 7.625 5.407 1.00 1.00 O ATOM 0 H TYR A 60 -4.083 0.944 3.594 1.00 1.00 H new ATOM 0 HA TYR A 60 -5.030 2.311 6.062 1.00 1.00 H new ATOM 0 HB2 TYR A 60 -5.262 2.795 3.065 1.00 1.00 H new ATOM 0 HB3 TYR A 60 -6.523 3.383 4.130 1.00 1.00 H new ATOM 0 HD1 TYR A 60 -5.961 5.005 5.961 1.00 1.00 H new ATOM 0 HD2 TYR A 60 -3.098 3.861 2.976 1.00 1.00 H new ATOM 0 HE1 TYR A 60 -4.575 6.976 6.537 1.00 1.00 H new ATOM 0 HE2 TYR A 60 -1.712 5.833 3.548 1.00 1.00 H new ATOM 0 HH TYR A 60 -1.476 7.637 4.841 1.00 1.00 H new ATOM 929 N THR A 61 -7.109 0.862 6.163 1.00 1.00 N ATOM 930 CA THR A 61 -8.292 0.002 6.163 1.00 1.00 C ATOM 931 C THR A 61 -9.467 0.812 5.661 1.00 1.00 C ATOM 932 O THR A 61 -9.413 2.034 5.636 1.00 1.00 O ATOM 933 CB THR A 61 -8.612 -0.536 7.556 1.00 1.00 C ATOM 934 OG1 THR A 61 -9.918 -1.101 7.542 1.00 1.00 O ATOM 935 CG2 THR A 61 -8.565 0.600 8.573 1.00 1.00 C ATOM 0 H THR A 61 -6.894 1.313 7.052 1.00 1.00 H new ATOM 0 HA THR A 61 -8.095 -0.855 5.518 1.00 1.00 H new ATOM 0 HB THR A 61 -7.879 -1.294 7.832 1.00 1.00 H new ATOM 0 HG1 THR A 61 -10.133 -1.451 8.432 1.00 1.00 H new ATOM 0 HG21 THR A 61 -8.794 0.210 9.565 1.00 1.00 H new ATOM 0 HG22 THR A 61 -7.569 1.043 8.578 1.00 1.00 H new ATOM 0 HG23 THR A 61 -9.298 1.360 8.304 1.00 1.00 H new ATOM 943 N HIS A 62 -10.532 0.145 5.292 1.00 1.00 N ATOM 944 CA HIS A 62 -11.707 0.852 4.820 1.00 1.00 C ATOM 945 C HIS A 62 -12.879 -0.100 4.681 1.00 1.00 C ATOM 946 O HIS A 62 -12.703 -1.317 4.698 1.00 1.00 O ATOM 947 CB HIS A 62 -11.407 1.543 3.485 1.00 1.00 C ATOM 948 CG HIS A 62 -11.405 0.543 2.365 1.00 1.00 C ATOM 949 ND1 HIS A 62 -12.493 0.380 1.526 1.00 1.00 N ATOM 950 CD2 HIS A 62 -10.459 -0.348 1.931 1.00 1.00 C ATOM 951 CE1 HIS A 62 -12.180 -0.579 0.640 1.00 1.00 C ATOM 952 NE2 HIS A 62 -10.950 -1.058 0.842 1.00 1.00 N ATOM 0 H HIS A 62 -10.615 -0.872 5.307 1.00 1.00 H new ATOM 0 HA HIS A 62 -11.974 1.615 5.551 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -12.154 2.313 3.291 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -10.440 2.042 3.536 1.00 1.00 H new ATOM 0 HD1 HIS A 62 -13.372 0.895 1.572 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -9.480 -0.479 2.369 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -12.843 -0.921 -0.141 1.00 1.00 H new ATOM 960 N ARG A 63 -14.077 0.452 4.545 1.00 1.00 N ATOM 961 CA ARG A 63 -15.261 -0.377 4.403 1.00 1.00 C ATOM 962 C ARG A 63 -15.475 -0.741 2.942 1.00 1.00 C ATOM 963 O ARG A 63 -14.548 -0.704 2.136 1.00 1.00 O ATOM 964 CB ARG A 63 -16.508 0.349 4.957 1.00 1.00 C ATOM 965 CG ARG A 63 -17.373 -0.655 5.717 1.00 1.00 C ATOM 966 CD ARG A 63 -18.631 0.027 6.252 1.00 1.00 C ATOM 967 NE ARG A 63 -19.481 0.460 5.147 1.00 1.00 N ATOM 968 CZ ARG A 63 -20.583 1.176 5.360 1.00 1.00 C ATOM 969 NH1 ARG A 63 -20.930 1.502 6.575 1.00 1.00 N ATOM 970 NH2 ARG A 63 -21.321 1.550 4.351 1.00 1.00 N ATOM 0 H ARG A 63 -14.252 1.457 4.530 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.110 -1.291 4.978 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.207 1.162 5.617 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.077 0.795 4.141 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -17.650 -1.479 5.059 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -16.805 -1.084 6.542 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -19.181 -0.661 6.895 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -18.355 0.885 6.865 1.00 1.00 H new ATOM 0 HE ARG A 63 -19.225 0.209 4.192 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -20.356 1.208 7.365 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -21.775 2.051 6.734 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -21.053 1.294 3.401 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -22.166 2.099 4.513 1.00 1.00 H new ATOM 984 N ARG A 64 -16.706 -1.097 2.617 1.00 1.00 N ATOM 985 CA ARG A 64 -17.046 -1.471 1.259 1.00 1.00 C ATOM 986 C ARG A 64 -16.799 -0.301 0.311 1.00 1.00 C ATOM 987 O ARG A 64 -16.257 -0.484 -0.778 1.00 1.00 O ATOM 988 CB ARG A 64 -18.516 -1.880 1.190 1.00 1.00 C ATOM 989 CG ARG A 64 -18.712 -3.221 1.900 1.00 1.00 C ATOM 990 CD ARG A 64 -20.191 -3.611 1.855 1.00 1.00 C ATOM 991 NE ARG A 64 -20.400 -4.885 2.536 1.00 1.00 N ATOM 992 CZ ARG A 64 -21.546 -5.549 2.416 1.00 1.00 C ATOM 993 NH1 ARG A 64 -22.511 -5.063 1.683 1.00 1.00 N ATOM 994 NH2 ARG A 64 -21.708 -6.688 3.034 1.00 1.00 N ATOM 0 H ARG A 64 -17.484 -1.134 3.275 1.00 1.00 H new ATOM 0 HA ARG A 64 -16.419 -2.310 0.959 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -19.138 -1.116 1.656 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -18.833 -1.958 0.150 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -18.107 -3.990 1.420 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -18.375 -3.150 2.934 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -20.793 -2.835 2.328 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -20.523 -3.686 0.820 1.00 1.00 H new ATOM 0 HE ARG A 64 -19.654 -5.273 3.114 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -22.387 -4.173 1.201 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -23.389 -5.574 1.592 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -20.956 -7.068 3.608 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -22.587 -7.198 2.942 1.00 1.00 H new ATOM 1008 N MET A 65 -17.202 0.906 0.727 1.00 1.00 N ATOM 1009 CA MET A 65 -17.025 2.101 -0.102 1.00 1.00 C ATOM 1010 C MET A 65 -16.655 3.305 0.773 1.00 1.00 C ATOM 1011 O MET A 65 -16.883 4.453 0.390 1.00 1.00 O ATOM 1012 CB MET A 65 -18.332 2.401 -0.857 1.00 1.00 C ATOM 1013 CG MET A 65 -19.530 2.063 0.036 1.00 1.00 C ATOM 1014 SD MET A 65 -21.062 2.550 -0.800 1.00 1.00 S ATOM 1015 CE MET A 65 -22.212 2.151 0.542 1.00 1.00 C ATOM 0 H MET A 65 -17.650 1.079 1.627 1.00 1.00 H new ATOM 0 HA MET A 65 -16.221 1.920 -0.815 1.00 1.00 H new ATOM 0 HB2 MET A 65 -18.365 3.452 -1.144 1.00 1.00 H new ATOM 0 HB3 MET A 65 -18.375 1.817 -1.777 1.00 1.00 H new ATOM 0 HG2 MET A 65 -19.545 0.995 0.253 1.00 1.00 H new ATOM 0 HG3 MET A 65 -19.443 2.582 0.991 1.00 1.00 H new ATOM 0 HE1 MET A 65 -23.230 2.381 0.229 1.00 1.00 H new ATOM 0 HE2 MET A 65 -22.137 1.091 0.782 1.00 1.00 H new ATOM 0 HE3 MET A 65 -21.962 2.742 1.423 1.00 1.00 H new ATOM 1025 N ALA A 66 -16.084 3.037 1.944 1.00 1.00 N ATOM 1026 CA ALA A 66 -15.690 4.114 2.858 1.00 1.00 C ATOM 1027 C ALA A 66 -14.256 4.568 2.561 1.00 1.00 C ATOM 1028 O ALA A 66 -13.541 5.034 3.449 1.00 1.00 O ATOM 1029 CB ALA A 66 -15.807 3.642 4.307 1.00 1.00 C ATOM 0 H ALA A 66 -15.884 2.096 2.283 1.00 1.00 H new ATOM 0 HA ALA A 66 -16.359 4.961 2.709 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -15.512 4.449 4.978 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -16.838 3.356 4.514 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -15.154 2.783 4.464 1.00 1.00 H new ATOM 1035 N ILE A 67 -13.850 4.401 1.303 1.00 1.00 N ATOM 1036 CA ILE A 67 -12.499 4.764 0.850 1.00 1.00 C ATOM 1037 C ILE A 67 -12.340 6.281 0.690 1.00 1.00 C ATOM 1038 O ILE A 67 -11.230 6.809 0.635 1.00 1.00 O ATOM 1039 CB ILE A 67 -12.244 4.088 -0.505 1.00 1.00 C ATOM 1040 CG1 ILE A 67 -13.367 4.475 -1.484 1.00 1.00 C ATOM 1041 CG2 ILE A 67 -12.233 2.567 -0.330 1.00 1.00 C ATOM 1042 CD1 ILE A 67 -13.033 3.968 -2.890 1.00 1.00 C ATOM 0 H ILE A 67 -14.442 4.012 0.569 1.00 1.00 H new ATOM 0 HA ILE A 67 -11.782 4.430 1.600 1.00 1.00 H new ATOM 0 HB ILE A 67 -11.281 4.415 -0.896 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -14.314 4.050 -1.151 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -13.491 5.558 -1.499 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -12.052 2.091 -1.294 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -11.443 2.287 0.367 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -13.196 2.239 0.061 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -13.833 4.246 -3.577 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -12.096 4.414 -3.225 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -12.932 2.883 -2.871 1.00 1.00 H new ATOM 1054 N THR A 68 -13.469 6.946 0.556 1.00 1.00 N ATOM 1055 CA THR A 68 -13.515 8.392 0.330 1.00 1.00 C ATOM 1056 C THR A 68 -12.687 9.210 1.328 1.00 1.00 C ATOM 1057 O THR A 68 -12.235 10.304 0.983 1.00 1.00 O ATOM 1058 CB THR A 68 -14.971 8.867 0.375 1.00 1.00 C ATOM 1059 OG1 THR A 68 -15.017 10.232 0.771 1.00 1.00 O ATOM 1060 CG2 THR A 68 -15.751 8.018 1.379 1.00 1.00 C ATOM 0 H THR A 68 -14.388 6.506 0.600 1.00 1.00 H new ATOM 0 HA THR A 68 -13.070 8.561 -0.651 1.00 1.00 H new ATOM 0 HB THR A 68 -15.416 8.764 -0.614 1.00 1.00 H new ATOM 0 HG1 THR A 68 -15.949 10.534 0.797 1.00 1.00 H new ATOM 0 HG21 THR A 68 -16.787 8.354 1.412 1.00 1.00 H new ATOM 0 HG22 THR A 68 -15.719 6.972 1.074 1.00 1.00 H new ATOM 0 HG23 THR A 68 -15.304 8.121 2.368 1.00 1.00 H new ATOM 1068 N GLY A 69 -12.520 8.747 2.569 1.00 1.00 N ATOM 1069 CA GLY A 69 -11.777 9.524 3.570 1.00 1.00 C ATOM 1070 C GLY A 69 -12.548 9.509 4.881 1.00 1.00 C ATOM 1071 O GLY A 69 -12.005 9.781 5.953 1.00 1.00 O ATOM 0 H GLY A 69 -12.881 7.854 2.903 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -10.783 9.101 3.713 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -11.640 10.549 3.225 1.00 1.00 H new ATOM 1075 N ASP A 70 -13.838 9.202 4.771 1.00 1.00 N ATOM 1076 CA ASP A 70 -14.726 9.170 5.929 1.00 1.00 C ATOM 1077 C ASP A 70 -14.221 8.216 7.021 1.00 1.00 C ATOM 1078 O ASP A 70 -13.868 8.667 8.107 1.00 1.00 O ATOM 1079 CB ASP A 70 -16.132 8.762 5.491 1.00 1.00 C ATOM 1080 CG ASP A 70 -17.072 8.780 6.691 1.00 1.00 C ATOM 1081 OD1 ASP A 70 -16.594 8.991 7.794 1.00 1.00 O ATOM 1082 OD2 ASP A 70 -18.260 8.581 6.492 1.00 1.00 O ATOM 0 H ASP A 70 -14.293 8.971 3.888 1.00 1.00 H new ATOM 0 HA ASP A 70 -14.746 10.173 6.356 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -16.496 9.444 4.722 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -16.111 7.766 5.049 1.00 1.00 H new ATOM 1087 N ASP A 71 -14.245 6.895 6.777 1.00 1.00 N ATOM 1088 CA ASP A 71 -13.853 5.906 7.814 1.00 1.00 C ATOM 1089 C ASP A 71 -12.661 5.060 7.375 1.00 1.00 C ATOM 1090 O ASP A 71 -12.663 3.844 7.586 1.00 1.00 O ATOM 1091 CB ASP A 71 -15.079 5.022 8.101 1.00 1.00 C ATOM 1092 CG ASP A 71 -14.859 4.023 9.254 1.00 1.00 C ATOM 1093 OD1 ASP A 71 -13.772 4.021 9.804 1.00 1.00 O ATOM 1094 OD2 ASP A 71 -15.777 3.272 9.563 1.00 1.00 O ATOM 0 H ASP A 71 -14.526 6.484 5.887 1.00 1.00 H new ATOM 0 HA ASP A 71 -13.537 6.429 8.717 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -15.929 5.660 8.341 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -15.339 4.471 7.197 1.00 1.00 H new ATOM 1099 N VAL A 72 -11.658 5.699 6.799 1.00 1.00 N ATOM 1100 CA VAL A 72 -10.459 4.987 6.365 1.00 1.00 C ATOM 1101 C VAL A 72 -9.210 5.716 6.872 1.00 1.00 C ATOM 1102 O VAL A 72 -8.955 6.860 6.492 1.00 1.00 O ATOM 1103 CB VAL A 72 -10.428 4.889 4.830 1.00 1.00 C ATOM 1104 CG1 VAL A 72 -10.909 6.213 4.225 1.00 1.00 C ATOM 1105 CG2 VAL A 72 -8.996 4.580 4.337 1.00 1.00 C ATOM 0 H VAL A 72 -11.645 6.703 6.620 1.00 1.00 H new ATOM 0 HA VAL A 72 -10.475 3.979 6.779 1.00 1.00 H new ATOM 0 HB VAL A 72 -11.087 4.080 4.514 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -10.888 6.145 3.137 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -11.928 6.415 4.556 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -10.254 7.021 4.551 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -8.992 4.514 3.249 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -8.322 5.376 4.655 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -8.662 3.632 4.759 1.00 1.00 H new ATOM 1115 N SER A 73 -8.440 5.056 7.736 1.00 1.00 N ATOM 1116 CA SER A 73 -7.225 5.638 8.294 1.00 1.00 C ATOM 1117 C SER A 73 -6.199 4.513 8.461 1.00 1.00 C ATOM 1118 O SER A 73 -6.547 3.339 8.338 1.00 1.00 O ATOM 1119 CB SER A 73 -7.532 6.282 9.650 1.00 1.00 C ATOM 1120 OG SER A 73 -8.514 7.298 9.481 1.00 1.00 O ATOM 0 H SER A 73 -8.640 4.112 8.065 1.00 1.00 H new ATOM 0 HA SER A 73 -6.831 6.410 7.633 1.00 1.00 H new ATOM 0 HB2 SER A 73 -7.891 5.527 10.350 1.00 1.00 H new ATOM 0 HB3 SER A 73 -6.623 6.707 10.077 1.00 1.00 H new ATOM 0 HG SER A 73 -8.712 7.709 10.348 1.00 1.00 H new ATOM 1126 N LEU A 74 -4.937 4.859 8.650 1.00 1.00 N ATOM 1127 CA LEU A 74 -3.875 3.854 8.728 1.00 1.00 C ATOM 1128 C LEU A 74 -4.234 2.623 9.567 1.00 1.00 C ATOM 1129 O LEU A 74 -4.830 2.721 10.640 1.00 1.00 O ATOM 1130 CB LEU A 74 -2.607 4.493 9.313 1.00 1.00 C ATOM 1131 CG LEU A 74 -1.910 5.349 8.250 1.00 1.00 C ATOM 1132 CD1 LEU A 74 -0.891 6.279 8.935 1.00 1.00 C ATOM 1133 CD2 LEU A 74 -1.199 4.432 7.208 1.00 1.00 C ATOM 0 H LEU A 74 -4.617 5.822 8.753 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.719 3.505 7.707 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -2.865 5.108 10.175 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -1.929 3.716 9.667 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.649 5.954 7.725 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.393 6.890 8.182 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -1.408 6.926 9.644 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -0.150 5.680 9.465 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -0.706 5.049 6.456 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -0.457 3.814 7.714 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -1.936 3.791 6.725 1.00 1.00 H new ATOM 1145 N ASP A 75 -3.826 1.460 9.038 1.00 1.00 N ATOM 1146 CA ASP A 75 -4.042 0.163 9.688 1.00 1.00 C ATOM 1147 C ASP A 75 -2.702 -0.393 10.178 1.00 1.00 C ATOM 1148 O ASP A 75 -2.517 -0.606 11.374 1.00 1.00 O ATOM 1149 CB ASP A 75 -4.667 -0.826 8.708 1.00 1.00 C ATOM 1150 CG ASP A 75 -5.128 -2.074 9.452 1.00 1.00 C ATOM 1151 OD1 ASP A 75 -4.537 -2.380 10.476 1.00 1.00 O ATOM 1152 OD2 ASP A 75 -6.055 -2.709 8.985 1.00 1.00 O ATOM 0 H ASP A 75 -3.336 1.394 8.146 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.718 0.303 10.532 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -5.512 -0.362 8.200 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -3.943 -1.097 7.940 1.00 1.00 H new ATOM 1157 N GLN A 76 -1.750 -0.615 9.257 1.00 1.00 N ATOM 1158 CA GLN A 76 -0.430 -1.121 9.640 1.00 1.00 C ATOM 1159 C GLN A 76 0.625 -0.693 8.611 1.00 1.00 C ATOM 1160 O GLN A 76 0.587 -1.106 7.452 1.00 1.00 O ATOM 1161 CB GLN A 76 -0.430 -2.654 9.753 1.00 1.00 C ATOM 1162 CG GLN A 76 0.790 -3.108 10.582 1.00 1.00 C ATOM 1163 CD GLN A 76 1.232 -4.509 10.178 1.00 1.00 C ATOM 1164 OE1 GLN A 76 0.448 -5.456 10.240 1.00 1.00 O ATOM 1165 NE2 GLN A 76 2.452 -4.688 9.760 1.00 1.00 N ATOM 0 H GLN A 76 -1.870 -0.454 8.257 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.187 -0.698 10.615 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.351 -2.995 10.225 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.396 -3.103 8.760 1.00 1.00 H new ATOM 0 HG2 GLN A 76 1.613 -2.408 10.439 1.00 1.00 H new ATOM 0 HG3 GLN A 76 0.540 -3.093 11.643 1.00 1.00 H new ATOM 0 HE21 GLN A 76 3.096 -3.898 9.712 1.00 1.00 H new ATOM 0 HE22 GLN A 76 2.764 -5.618 9.481 1.00 1.00 H new ATOM 1174 N ILE A 77 1.569 0.131 9.062 1.00 1.00 N ATOM 1175 CA ILE A 77 2.648 0.620 8.202 1.00 1.00 C ATOM 1176 C ILE A 77 3.764 -0.416 8.112 1.00 1.00 C ATOM 1177 O ILE A 77 4.245 -0.906 9.132 1.00 1.00 O ATOM 1178 CB ILE A 77 3.207 1.936 8.779 1.00 1.00 C ATOM 1179 CG1 ILE A 77 2.115 3.018 8.727 1.00 1.00 C ATOM 1180 CG2 ILE A 77 4.444 2.397 7.983 1.00 1.00 C ATOM 1181 CD1 ILE A 77 2.573 4.276 9.482 1.00 1.00 C ATOM 0 H ILE A 77 1.609 0.476 10.021 1.00 1.00 H new ATOM 0 HA ILE A 77 2.252 0.797 7.202 1.00 1.00 H new ATOM 0 HB ILE A 77 3.509 1.769 9.813 1.00 1.00 H new ATOM 0 HG12 ILE A 77 1.892 3.269 7.690 1.00 1.00 H new ATOM 0 HG13 ILE A 77 1.194 2.636 9.168 1.00 1.00 H new ATOM 0 HG21 ILE A 77 4.823 3.327 8.406 1.00 1.00 H new ATOM 0 HG22 ILE A 77 5.218 1.631 8.038 1.00 1.00 H new ATOM 0 HG23 ILE A 77 4.167 2.559 6.941 1.00 1.00 H new ATOM 0 HD11 ILE A 77 1.790 5.033 9.437 1.00 1.00 H new ATOM 0 HD12 ILE A 77 2.773 4.023 10.523 1.00 1.00 H new ATOM 0 HD13 ILE A 77 3.481 4.666 9.022 1.00 1.00 H new ATOM 1193 N VAL A 78 4.174 -0.738 6.884 1.00 1.00 N ATOM 1194 CA VAL A 78 5.244 -1.709 6.657 1.00 1.00 C ATOM 1195 C VAL A 78 6.384 -1.018 5.900 1.00 1.00 C ATOM 1196 O VAL A 78 6.252 -0.745 4.706 1.00 1.00 O ATOM 1197 CB VAL A 78 4.729 -2.888 5.834 1.00 1.00 C ATOM 1198 CG1 VAL A 78 5.870 -3.886 5.607 1.00 1.00 C ATOM 1199 CG2 VAL A 78 3.595 -3.575 6.596 1.00 1.00 C ATOM 0 H VAL A 78 3.781 -0.340 6.031 1.00 1.00 H new ATOM 0 HA VAL A 78 5.600 -2.084 7.617 1.00 1.00 H new ATOM 0 HB VAL A 78 4.361 -2.533 4.872 1.00 1.00 H new ATOM 0 HG11 VAL A 78 5.505 -4.729 5.020 1.00 1.00 H new ATOM 0 HG12 VAL A 78 6.682 -3.395 5.071 1.00 1.00 H new ATOM 0 HG13 VAL A 78 6.236 -4.245 6.569 1.00 1.00 H new ATOM 0 HG21 VAL A 78 3.223 -4.418 6.013 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.967 -3.934 7.556 1.00 1.00 H new ATOM 0 HG23 VAL A 78 2.786 -2.864 6.763 1.00 1.00 H new ATOM 1209 N PRO A 79 7.475 -0.693 6.554 1.00 1.00 N ATOM 1210 CA PRO A 79 8.606 0.027 5.902 1.00 1.00 C ATOM 1211 C PRO A 79 9.464 -0.874 5.032 1.00 1.00 C ATOM 1212 O PRO A 79 9.633 -2.059 5.317 1.00 1.00 O ATOM 1213 CB PRO A 79 9.390 0.587 7.089 1.00 1.00 C ATOM 1214 CG PRO A 79 9.175 -0.406 8.186 1.00 1.00 C ATOM 1215 CD PRO A 79 7.771 -0.980 7.973 1.00 1.00 C ATOM 0 HA PRO A 79 8.261 0.795 5.209 1.00 1.00 H new ATOM 0 HB2 PRO A 79 10.449 0.692 6.851 1.00 1.00 H new ATOM 0 HB3 PRO A 79 9.028 1.575 7.372 1.00 1.00 H new ATOM 0 HG2 PRO A 79 9.927 -1.194 8.151 1.00 1.00 H new ATOM 0 HG3 PRO A 79 9.257 0.070 9.163 1.00 1.00 H new ATOM 0 HD2 PRO A 79 7.743 -2.050 8.177 1.00 1.00 H new ATOM 0 HD3 PRO A 79 7.044 -0.510 8.635 1.00 1.00 H new ATOM 1223 N LEU A 80 9.987 -0.298 3.960 1.00 1.00 N ATOM 1224 CA LEU A 80 10.811 -1.043 3.034 1.00 1.00 C ATOM 1225 C LEU A 80 12.091 -1.529 3.702 1.00 1.00 C ATOM 1226 O LEU A 80 12.823 -0.766 4.332 1.00 1.00 O ATOM 1227 CB LEU A 80 11.161 -0.153 1.844 1.00 1.00 C ATOM 1228 CG LEU A 80 9.894 0.144 1.028 1.00 1.00 C ATOM 1229 CD1 LEU A 80 10.208 1.226 -0.011 1.00 1.00 C ATOM 1230 CD2 LEU A 80 9.394 -1.133 0.315 1.00 1.00 C ATOM 0 H LEU A 80 9.853 0.683 3.714 1.00 1.00 H new ATOM 0 HA LEU A 80 10.251 -1.916 2.699 1.00 1.00 H new ATOM 0 HB2 LEU A 80 11.607 0.778 2.193 1.00 1.00 H new ATOM 0 HB3 LEU A 80 11.903 -0.645 1.215 1.00 1.00 H new ATOM 0 HG LEU A 80 9.111 0.492 1.702 1.00 1.00 H new ATOM 0 HD11 LEU A 80 9.312 1.442 -0.594 1.00 1.00 H new ATOM 0 HD12 LEU A 80 10.538 2.133 0.496 1.00 1.00 H new ATOM 0 HD13 LEU A 80 10.997 0.874 -0.675 1.00 1.00 H new ATOM 0 HD21 LEU A 80 8.496 -0.902 -0.258 1.00 1.00 H new ATOM 0 HD22 LEU A 80 10.169 -1.501 -0.358 1.00 1.00 H new ATOM 0 HD23 LEU A 80 9.164 -1.898 1.057 1.00 1.00 H new ATOM 1242 N SER A 81 12.329 -2.820 3.543 1.00 1.00 N ATOM 1243 CA SER A 81 13.507 -3.477 4.105 1.00 1.00 C ATOM 1244 C SER A 81 14.161 -4.364 3.055 1.00 1.00 C ATOM 1245 O SER A 81 13.574 -4.657 2.022 1.00 1.00 O ATOM 1246 CB SER A 81 13.108 -4.323 5.315 1.00 1.00 C ATOM 1247 OG SER A 81 14.248 -5.025 5.793 1.00 1.00 O ATOM 0 H SER A 81 11.714 -3.446 3.022 1.00 1.00 H new ATOM 0 HA SER A 81 14.217 -2.713 4.421 1.00 1.00 H new ATOM 0 HB2 SER A 81 12.703 -3.686 6.101 1.00 1.00 H new ATOM 0 HB3 SER A 81 12.323 -5.027 5.038 1.00 1.00 H new ATOM 0 HG SER A 81 13.996 -5.567 6.570 1.00 1.00 H new ATOM 1253 N LYS A 82 15.397 -4.755 3.301 1.00 1.00 N ATOM 1254 CA LYS A 82 16.118 -5.574 2.342 1.00 1.00 C ATOM 1255 C LYS A 82 15.333 -6.844 2.021 1.00 1.00 C ATOM 1256 O LYS A 82 15.255 -7.258 0.863 1.00 1.00 O ATOM 1257 CB LYS A 82 17.484 -5.944 2.910 1.00 1.00 C ATOM 1258 CG LYS A 82 18.296 -6.696 1.851 1.00 1.00 C ATOM 1259 CD LYS A 82 19.674 -7.047 2.419 1.00 1.00 C ATOM 1260 CE LYS A 82 20.493 -7.787 1.357 1.00 1.00 C ATOM 1261 NZ LYS A 82 20.703 -6.892 0.183 1.00 1.00 N ATOM 0 H LYS A 82 15.919 -4.523 4.146 1.00 1.00 H new ATOM 0 HA LYS A 82 16.246 -5.003 1.422 1.00 1.00 H new ATOM 0 HB2 LYS A 82 18.016 -5.044 3.219 1.00 1.00 H new ATOM 0 HB3 LYS A 82 17.364 -6.564 3.798 1.00 1.00 H new ATOM 0 HG2 LYS A 82 17.772 -7.604 1.552 1.00 1.00 H new ATOM 0 HG3 LYS A 82 18.405 -6.082 0.957 1.00 1.00 H new ATOM 0 HD2 LYS A 82 20.194 -6.140 2.727 1.00 1.00 H new ATOM 0 HD3 LYS A 82 19.565 -7.669 3.308 1.00 1.00 H new ATOM 0 HE2 LYS A 82 21.453 -8.094 1.771 1.00 1.00 H new ATOM 0 HE3 LYS A 82 19.974 -8.695 1.048 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 21.511 -7.235 -0.374 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 19.849 -6.891 -0.410 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 20.895 -5.925 0.514 1.00 1.00 H new ATOM 1275 N ASP A 83 14.755 -7.459 3.047 1.00 1.00 N ATOM 1276 CA ASP A 83 13.983 -8.680 2.851 1.00 1.00 C ATOM 1277 C ASP A 83 12.744 -8.407 1.989 1.00 1.00 C ATOM 1278 O ASP A 83 11.998 -9.327 1.651 1.00 1.00 O ATOM 1279 CB ASP A 83 13.566 -9.246 4.213 1.00 1.00 C ATOM 1280 CG ASP A 83 14.784 -9.806 4.947 1.00 1.00 C ATOM 1281 OD1 ASP A 83 15.786 -10.051 4.296 1.00 1.00 O ATOM 1282 OD2 ASP A 83 14.695 -9.982 6.152 1.00 1.00 O ATOM 0 H ASP A 83 14.805 -7.136 4.013 1.00 1.00 H new ATOM 0 HA ASP A 83 14.604 -9.409 2.331 1.00 1.00 H new ATOM 0 HB2 ASP A 83 13.099 -8.464 4.812 1.00 1.00 H new ATOM 0 HB3 ASP A 83 12.822 -10.031 4.077 1.00 1.00 H new ATOM 1287 N PHE A 84 12.555 -7.139 1.614 1.00 1.00 N ATOM 1288 CA PHE A 84 11.429 -6.745 0.764 1.00 1.00 C ATOM 1289 C PHE A 84 11.606 -7.357 -0.621 1.00 1.00 C ATOM 1290 O PHE A 84 12.699 -7.337 -1.181 1.00 1.00 O ATOM 1291 CB PHE A 84 11.364 -5.214 0.656 1.00 1.00 C ATOM 1292 CG PHE A 84 10.124 -4.767 -0.090 1.00 1.00 C ATOM 1293 CD1 PHE A 84 8.907 -4.627 0.588 1.00 1.00 C ATOM 1294 CD2 PHE A 84 10.200 -4.454 -1.454 1.00 1.00 C ATOM 1295 CE1 PHE A 84 7.768 -4.180 -0.093 1.00 1.00 C ATOM 1296 CE2 PHE A 84 9.061 -4.013 -2.139 1.00 1.00 C ATOM 1297 CZ PHE A 84 7.846 -3.874 -1.459 1.00 1.00 C ATOM 0 H PHE A 84 13.166 -6.369 1.885 1.00 1.00 H new ATOM 0 HA PHE A 84 10.499 -7.105 1.204 1.00 1.00 H new ATOM 0 HB2 PHE A 84 11.368 -4.776 1.654 1.00 1.00 H new ATOM 0 HB3 PHE A 84 12.252 -4.845 0.143 1.00 1.00 H new ATOM 0 HD1 PHE A 84 8.847 -4.865 1.640 1.00 1.00 H new ATOM 0 HD2 PHE A 84 11.139 -4.553 -1.978 1.00 1.00 H new ATOM 0 HE1 PHE A 84 6.831 -4.071 0.433 1.00 1.00 H new ATOM 0 HE2 PHE A 84 9.120 -3.780 -3.192 1.00 1.00 H new ATOM 0 HZ PHE A 84 6.968 -3.531 -1.986 1.00 1.00 H new ATOM 1307 N MET A 85 10.523 -7.881 -1.173 1.00 1.00 N ATOM 1308 CA MET A 85 10.560 -8.476 -2.501 1.00 1.00 C ATOM 1309 C MET A 85 9.141 -8.709 -2.996 1.00 1.00 C ATOM 1310 O MET A 85 8.279 -9.147 -2.235 1.00 1.00 O ATOM 1311 CB MET A 85 11.331 -9.807 -2.486 1.00 1.00 C ATOM 1312 CG MET A 85 11.406 -10.385 -3.909 1.00 1.00 C ATOM 1313 SD MET A 85 12.384 -9.280 -4.962 1.00 1.00 S ATOM 1314 CE MET A 85 11.452 -9.526 -6.495 1.00 1.00 C ATOM 0 H MET A 85 9.608 -7.907 -0.723 1.00 1.00 H new ATOM 0 HA MET A 85 11.075 -7.789 -3.173 1.00 1.00 H new ATOM 0 HB2 MET A 85 12.336 -9.651 -2.094 1.00 1.00 H new ATOM 0 HB3 MET A 85 10.837 -10.516 -1.822 1.00 1.00 H new ATOM 0 HG2 MET A 85 11.858 -11.377 -3.886 1.00 1.00 H new ATOM 0 HG3 MET A 85 10.403 -10.501 -4.319 1.00 1.00 H new ATOM 0 HE1 MET A 85 12.131 -9.474 -7.346 1.00 1.00 H new ATOM 0 HE2 MET A 85 10.969 -10.503 -6.475 1.00 1.00 H new ATOM 0 HE3 MET A 85 10.694 -8.749 -6.588 1.00 1.00 H new ATOM 1324 N LEU A 86 8.897 -8.432 -4.271 1.00 1.00 N ATOM 1325 CA LEU A 86 7.570 -8.639 -4.850 1.00 1.00 C ATOM 1326 C LEU A 86 7.583 -9.942 -5.643 1.00 1.00 C ATOM 1327 O LEU A 86 8.430 -10.126 -6.517 1.00 1.00 O ATOM 1328 CB LEU A 86 7.221 -7.464 -5.775 1.00 1.00 C ATOM 1329 CG LEU A 86 7.400 -6.138 -5.026 1.00 1.00 C ATOM 1330 CD1 LEU A 86 7.164 -4.958 -5.984 1.00 1.00 C ATOM 1331 CD2 LEU A 86 6.398 -6.060 -3.862 1.00 1.00 C ATOM 0 H LEU A 86 9.592 -8.066 -4.921 1.00 1.00 H new ATOM 0 HA LEU A 86 6.821 -8.696 -4.060 1.00 1.00 H new ATOM 0 HB2 LEU A 86 7.861 -7.482 -6.657 1.00 1.00 H new ATOM 0 HB3 LEU A 86 6.193 -7.558 -6.125 1.00 1.00 H new ATOM 0 HG LEU A 86 8.416 -6.086 -4.635 1.00 1.00 H new ATOM 0 HD11 LEU A 86 7.293 -4.020 -5.444 1.00 1.00 H new ATOM 0 HD12 LEU A 86 7.880 -5.006 -6.804 1.00 1.00 H new ATOM 0 HD13 LEU A 86 6.151 -5.011 -6.383 1.00 1.00 H new ATOM 0 HD21 LEU A 86 6.528 -5.116 -3.332 1.00 1.00 H new ATOM 0 HD22 LEU A 86 5.382 -6.120 -4.252 1.00 1.00 H new ATOM 0 HD23 LEU A 86 6.573 -6.889 -3.176 1.00 1.00 H new ATOM 1343 N GLU A 87 6.656 -10.858 -5.336 1.00 1.00 N ATOM 1344 CA GLU A 87 6.597 -12.149 -6.031 1.00 1.00 C ATOM 1345 C GLU A 87 5.291 -12.290 -6.802 1.00 1.00 C ATOM 1346 O GLU A 87 4.207 -12.091 -6.255 1.00 1.00 O ATOM 1347 CB GLU A 87 6.698 -13.296 -5.020 1.00 1.00 C ATOM 1348 CG GLU A 87 8.083 -13.289 -4.369 1.00 1.00 C ATOM 1349 CD GLU A 87 8.170 -14.385 -3.312 1.00 1.00 C ATOM 1350 OE1 GLU A 87 7.187 -15.082 -3.125 1.00 1.00 O ATOM 1351 OE2 GLU A 87 9.222 -14.511 -2.705 1.00 1.00 O ATOM 0 H GLU A 87 5.943 -10.731 -4.618 1.00 1.00 H new ATOM 0 HA GLU A 87 7.433 -12.192 -6.729 1.00 1.00 H new ATOM 0 HB2 GLU A 87 5.926 -13.190 -4.257 1.00 1.00 H new ATOM 0 HB3 GLU A 87 6.525 -14.250 -5.519 1.00 1.00 H new ATOM 0 HG2 GLU A 87 8.851 -13.442 -5.127 1.00 1.00 H new ATOM 0 HG3 GLU A 87 8.275 -12.317 -3.913 1.00 1.00 H new ATOM 1358 N GLU A 88 5.411 -12.655 -8.068 1.00 1.00 N ATOM 1359 CA GLU A 88 4.240 -12.851 -8.909 1.00 1.00 C ATOM 1360 C GLU A 88 3.648 -14.229 -8.625 1.00 1.00 C ATOM 1361 O GLU A 88 4.387 -15.185 -8.391 1.00 1.00 O ATOM 1362 CB GLU A 88 4.626 -12.750 -10.389 1.00 1.00 C ATOM 1363 CG GLU A 88 5.053 -11.316 -10.714 1.00 1.00 C ATOM 1364 CD GLU A 88 5.534 -11.228 -12.161 1.00 1.00 C ATOM 1365 OE1 GLU A 88 5.536 -12.252 -12.825 1.00 1.00 O ATOM 1366 OE2 GLU A 88 5.894 -10.141 -12.579 1.00 1.00 O ATOM 0 H GLU A 88 6.303 -12.821 -8.535 1.00 1.00 H new ATOM 0 HA GLU A 88 3.504 -12.078 -8.687 1.00 1.00 H new ATOM 0 HB2 GLU A 88 5.439 -13.441 -10.611 1.00 1.00 H new ATOM 0 HB3 GLU A 88 3.782 -13.039 -11.015 1.00 1.00 H new ATOM 0 HG2 GLU A 88 4.216 -10.635 -10.558 1.00 1.00 H new ATOM 0 HG3 GLU A 88 5.849 -11.003 -10.038 1.00 1.00 H new ATOM 1373 N VAL A 89 2.318 -14.337 -8.649 1.00 1.00 N ATOM 1374 CA VAL A 89 1.652 -15.623 -8.396 1.00 1.00 C ATOM 1375 C VAL A 89 1.101 -16.190 -9.700 1.00 1.00 C ATOM 1376 O VAL A 89 0.508 -15.472 -10.501 1.00 1.00 O ATOM 1377 CB VAL A 89 0.507 -15.453 -7.405 1.00 1.00 C ATOM 1378 CG1 VAL A 89 0.023 -16.827 -6.934 1.00 1.00 C ATOM 1379 CG2 VAL A 89 0.978 -14.631 -6.205 1.00 1.00 C ATOM 0 H VAL A 89 1.684 -13.561 -8.839 1.00 1.00 H new ATOM 0 HA VAL A 89 2.388 -16.308 -7.976 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.316 -14.931 -7.894 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -0.796 -16.701 -6.226 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.324 -17.404 -7.791 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.844 -17.356 -6.450 1.00 1.00 H new ATOM 0 HG21 VAL A 89 0.155 -14.513 -5.500 1.00 1.00 H new ATOM 0 HG22 VAL A 89 1.805 -15.144 -5.715 1.00 1.00 H new ATOM 0 HG23 VAL A 89 1.310 -13.649 -6.544 1.00 1.00 H new ATOM 1389 N SER A 90 1.311 -17.482 -9.896 1.00 1.00 N ATOM 1390 CA SER A 90 0.846 -18.157 -11.105 1.00 1.00 C ATOM 1391 C SER A 90 -0.565 -17.678 -11.492 1.00 1.00 C ATOM 1392 O SER A 90 -1.471 -17.716 -10.660 1.00 1.00 O ATOM 1393 CB SER A 90 0.817 -19.668 -10.873 1.00 1.00 C ATOM 1394 OG SER A 90 -0.346 -20.007 -10.129 1.00 1.00 O ATOM 0 H SER A 90 1.800 -18.087 -9.236 1.00 1.00 H new ATOM 0 HA SER A 90 1.534 -17.917 -11.916 1.00 1.00 H new ATOM 0 HB2 SER A 90 0.818 -20.194 -11.828 1.00 1.00 H new ATOM 0 HB3 SER A 90 1.711 -19.982 -10.335 1.00 1.00 H new ATOM 0 HG SER A 90 -0.823 -19.189 -9.877 1.00 1.00 H new ATOM 1533 N SER A 100 -8.926 -6.871 -15.053 1.00 1.00 N ATOM 1534 CA SER A 100 -9.074 -5.910 -13.969 1.00 1.00 C ATOM 1535 C SER A 100 -8.919 -6.627 -12.629 1.00 1.00 C ATOM 1536 O SER A 100 -9.568 -6.288 -11.637 1.00 1.00 O ATOM 1537 CB SER A 100 -10.430 -5.212 -14.060 1.00 1.00 C ATOM 1538 OG SER A 100 -11.463 -6.186 -14.076 1.00 1.00 O ATOM 0 HA SER A 100 -8.299 -5.148 -14.052 1.00 1.00 H new ATOM 0 HB2 SER A 100 -10.563 -4.540 -13.212 1.00 1.00 H new ATOM 0 HB3 SER A 100 -10.477 -4.601 -14.962 1.00 1.00 H new ATOM 0 HG SER A 100 -11.115 -7.026 -14.440 1.00 1.00 H new ATOM 1544 N ASP A 101 -8.034 -7.626 -12.628 1.00 1.00 N ATOM 1545 CA ASP A 101 -7.745 -8.422 -11.435 1.00 1.00 C ATOM 1546 C ASP A 101 -6.275 -8.851 -11.444 1.00 1.00 C ATOM 1547 O ASP A 101 -5.943 -9.936 -11.916 1.00 1.00 O ATOM 1548 CB ASP A 101 -8.625 -9.677 -11.401 1.00 1.00 C ATOM 1549 CG ASP A 101 -10.064 -9.317 -11.041 1.00 1.00 C ATOM 1550 OD1 ASP A 101 -10.269 -8.240 -10.506 1.00 1.00 O ATOM 1551 OD2 ASP A 101 -10.938 -10.129 -11.295 1.00 1.00 O ATOM 0 H ASP A 101 -7.500 -7.905 -13.451 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.952 -7.812 -10.556 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -8.601 -10.171 -12.372 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -8.229 -10.385 -10.673 1.00 1.00 H new ATOM 1556 N VAL A 102 -5.402 -7.996 -10.915 1.00 1.00 N ATOM 1557 CA VAL A 102 -3.972 -8.302 -10.860 1.00 1.00 C ATOM 1558 C VAL A 102 -3.666 -9.127 -9.625 1.00 1.00 C ATOM 1559 O VAL A 102 -4.288 -8.941 -8.592 1.00 1.00 O ATOM 1560 CB VAL A 102 -3.152 -7.009 -10.827 1.00 1.00 C ATOM 1561 CG1 VAL A 102 -1.659 -7.331 -10.934 1.00 1.00 C ATOM 1562 CG2 VAL A 102 -3.564 -6.133 -12.003 1.00 1.00 C ATOM 0 H VAL A 102 -5.657 -7.091 -10.520 1.00 1.00 H new ATOM 0 HA VAL A 102 -3.704 -8.870 -11.751 1.00 1.00 H new ATOM 0 HB VAL A 102 -3.336 -6.487 -9.888 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -1.084 -6.405 -10.910 1.00 1.00 H new ATOM 0 HG12 VAL A 102 -1.362 -7.964 -10.098 1.00 1.00 H new ATOM 0 HG13 VAL A 102 -1.466 -7.853 -11.871 1.00 1.00 H new ATOM 0 HG21 VAL A 102 -2.986 -5.209 -11.989 1.00 1.00 H new ATOM 0 HG22 VAL A 102 -3.376 -6.664 -12.936 1.00 1.00 H new ATOM 0 HG23 VAL A 102 -4.626 -5.898 -11.927 1.00 1.00 H new ATOM 1572 N THR A 103 -2.696 -10.026 -9.735 1.00 1.00 N ATOM 1573 CA THR A 103 -2.309 -10.868 -8.597 1.00 1.00 C ATOM 1574 C THR A 103 -0.867 -10.588 -8.198 1.00 1.00 C ATOM 1575 O THR A 103 0.071 -10.909 -8.929 1.00 1.00 O ATOM 1576 CB THR A 103 -2.464 -12.345 -8.961 1.00 1.00 C ATOM 1577 OG1 THR A 103 -3.712 -12.538 -9.606 1.00 1.00 O ATOM 1578 CG2 THR A 103 -2.414 -13.193 -7.687 1.00 1.00 C ATOM 0 H THR A 103 -2.164 -10.194 -10.589 1.00 1.00 H new ATOM 0 HA THR A 103 -2.961 -10.635 -7.755 1.00 1.00 H new ATOM 0 HB THR A 103 -1.655 -12.644 -9.628 1.00 1.00 H new ATOM 0 HG1 THR A 103 -3.815 -13.483 -9.843 1.00 1.00 H new ATOM 0 HG21 THR A 103 -2.525 -14.246 -7.946 1.00 1.00 H new ATOM 0 HG22 THR A 103 -1.458 -13.041 -7.186 1.00 1.00 H new ATOM 0 HG23 THR A 103 -3.224 -12.897 -7.021 1.00 1.00 H new ATOM 1586 N VAL A 104 -0.707 -9.992 -7.022 1.00 1.00 N ATOM 1587 CA VAL A 104 0.611 -9.655 -6.487 1.00 1.00 C ATOM 1588 C VAL A 104 0.710 -10.136 -5.042 1.00 1.00 C ATOM 1589 O VAL A 104 -0.226 -9.963 -4.263 1.00 1.00 O ATOM 1590 CB VAL A 104 0.818 -8.136 -6.557 1.00 1.00 C ATOM 1591 CG1 VAL A 104 -0.063 -7.431 -5.519 1.00 1.00 C ATOM 1592 CG2 VAL A 104 2.286 -7.807 -6.275 1.00 1.00 C ATOM 0 H VAL A 104 -1.482 -9.729 -6.413 1.00 1.00 H new ATOM 0 HA VAL A 104 1.385 -10.145 -7.077 1.00 1.00 H new ATOM 0 HB VAL A 104 0.544 -7.790 -7.554 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.094 -6.354 -5.580 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -1.111 -7.657 -5.717 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.201 -7.780 -4.521 1.00 1.00 H new ATOM 0 HG21 VAL A 104 2.433 -6.728 -6.325 1.00 1.00 H new ATOM 0 HG22 VAL A 104 2.554 -8.164 -5.281 1.00 1.00 H new ATOM 0 HG23 VAL A 104 2.917 -8.294 -7.018 1.00 1.00 H new ATOM 1602 N GLN A 105 1.840 -10.744 -4.689 1.00 1.00 N ATOM 1603 CA GLN A 105 2.039 -11.249 -3.327 1.00 1.00 C ATOM 1604 C GLN A 105 3.248 -10.566 -2.700 1.00 1.00 C ATOM 1605 O GLN A 105 4.378 -10.775 -3.145 1.00 1.00 O ATOM 1606 CB GLN A 105 2.267 -12.767 -3.392 1.00 1.00 C ATOM 1607 CG GLN A 105 2.003 -13.402 -2.023 1.00 1.00 C ATOM 1608 CD GLN A 105 3.084 -12.983 -1.035 1.00 1.00 C ATOM 1609 OE1 GLN A 105 4.242 -13.368 -1.181 1.00 1.00 O ATOM 1610 NE2 GLN A 105 2.773 -12.204 -0.039 1.00 1.00 N ATOM 0 H GLN A 105 2.627 -10.900 -5.319 1.00 1.00 H new ATOM 0 HA GLN A 105 1.161 -11.036 -2.717 1.00 1.00 H new ATOM 0 HB2 GLN A 105 1.608 -13.209 -4.139 1.00 1.00 H new ATOM 0 HB3 GLN A 105 3.290 -12.975 -3.706 1.00 1.00 H new ATOM 0 HG2 GLN A 105 1.024 -13.096 -1.654 1.00 1.00 H new ATOM 0 HG3 GLN A 105 1.984 -14.488 -2.115 1.00 1.00 H new ATOM 0 HE21 GLN A 105 1.811 -11.886 0.079 1.00 1.00 H new ATOM 0 HE22 GLN A 105 3.492 -11.911 0.623 1.00 1.00 H new ATOM 1619 N LEU A 106 3.023 -9.732 -1.678 1.00 1.00 N ATOM 1620 CA LEU A 106 4.118 -9.016 -1.036 1.00 1.00 C ATOM 1621 C LEU A 106 4.851 -9.910 -0.045 1.00 1.00 C ATOM 1622 O LEU A 106 4.237 -10.519 0.815 1.00 1.00 O ATOM 1623 CB LEU A 106 3.541 -7.819 -0.277 1.00 1.00 C ATOM 1624 CG LEU A 106 2.632 -6.994 -1.200 1.00 1.00 C ATOM 1625 CD1 LEU A 106 2.063 -5.799 -0.425 1.00 1.00 C ATOM 1626 CD2 LEU A 106 3.428 -6.492 -2.410 1.00 1.00 C ATOM 0 H LEU A 106 2.101 -9.541 -1.285 1.00 1.00 H new ATOM 0 HA LEU A 106 4.821 -8.694 -1.804 1.00 1.00 H new ATOM 0 HB2 LEU A 106 2.975 -8.166 0.588 1.00 1.00 H new ATOM 0 HB3 LEU A 106 4.350 -7.195 0.101 1.00 1.00 H new ATOM 0 HG LEU A 106 1.814 -7.623 -1.550 1.00 1.00 H new ATOM 0 HD11 LEU A 106 1.418 -5.214 -1.081 1.00 1.00 H new ATOM 0 HD12 LEU A 106 1.485 -6.159 0.426 1.00 1.00 H new ATOM 0 HD13 LEU A 106 2.881 -5.173 -0.069 1.00 1.00 H new ATOM 0 HD21 LEU A 106 2.775 -5.908 -3.058 1.00 1.00 H new ATOM 0 HD22 LEU A 106 4.253 -5.867 -2.069 1.00 1.00 H new ATOM 0 HD23 LEU A 106 3.823 -7.343 -2.964 1.00 1.00 H new ATOM 1638 N ASN A 107 6.164 -9.994 -0.200 1.00 1.00 N ATOM 1639 CA ASN A 107 6.982 -10.846 0.675 1.00 1.00 C ATOM 1640 C ASN A 107 7.959 -10.046 1.519 1.00 1.00 C ATOM 1641 O ASN A 107 9.170 -10.128 1.315 1.00 1.00 O ATOM 1642 CB ASN A 107 7.764 -11.843 -0.163 1.00 1.00 C ATOM 1643 CG ASN A 107 6.830 -12.539 -1.135 1.00 1.00 C ATOM 1644 OD1 ASN A 107 6.565 -13.732 -0.998 1.00 1.00 O ATOM 1645 ND2 ASN A 107 6.307 -11.854 -2.110 1.00 1.00 N ATOM 0 H ASN A 107 6.690 -9.491 -0.915 1.00 1.00 H new ATOM 0 HA ASN A 107 6.296 -11.359 1.349 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.557 -11.331 -0.709 1.00 1.00 H new ATOM 0 HB3 ASN A 107 8.245 -12.577 0.483 1.00 1.00 H new ATOM 0 HD21 ASN A 107 5.672 -12.306 -2.768 1.00 1.00 H new ATOM 0 HD22 ASN A 107 6.532 -10.865 -2.216 1.00 1.00 H new ATOM 1652 N THR A 108 7.447 -9.284 2.480 1.00 1.00 N ATOM 1653 CA THR A 108 8.323 -8.505 3.339 1.00 1.00 C ATOM 1654 C THR A 108 8.955 -9.406 4.396 1.00 1.00 C ATOM 1655 O THR A 108 8.734 -10.617 4.419 1.00 1.00 O ATOM 1656 CB THR A 108 7.537 -7.373 4.022 1.00 1.00 C ATOM 1657 OG1 THR A 108 6.622 -6.809 3.092 1.00 1.00 O ATOM 1658 CG2 THR A 108 8.486 -6.273 4.531 1.00 1.00 C ATOM 0 H THR A 108 6.451 -9.191 2.679 1.00 1.00 H new ATOM 0 HA THR A 108 9.110 -8.066 2.725 1.00 1.00 H new ATOM 0 HB THR A 108 7.000 -7.790 4.874 1.00 1.00 H new ATOM 0 HG1 THR A 108 6.356 -5.916 3.395 1.00 1.00 H new ATOM 0 HG21 THR A 108 7.905 -5.484 5.010 1.00 1.00 H new ATOM 0 HG22 THR A 108 9.183 -6.699 5.252 1.00 1.00 H new ATOM 0 HG23 THR A 108 9.042 -5.855 3.692 1.00 1.00 H new ATOM 1666 N ALA A 109 9.764 -8.799 5.242 1.00 1.00 N ATOM 1667 CA ALA A 109 10.464 -9.530 6.290 1.00 1.00 C ATOM 1668 C ALA A 109 9.494 -10.372 7.118 1.00 1.00 C ATOM 1669 O ALA A 109 9.793 -11.518 7.450 1.00 1.00 O ATOM 1670 CB ALA A 109 11.204 -8.547 7.195 1.00 1.00 C ATOM 0 H ALA A 109 9.956 -7.797 5.227 1.00 1.00 H new ATOM 0 HA ALA A 109 11.179 -10.204 5.819 1.00 1.00 H new ATOM 0 HB1 ALA A 109 11.727 -9.096 7.978 1.00 1.00 H new ATOM 0 HB2 ALA A 109 11.925 -7.981 6.605 1.00 1.00 H new ATOM 0 HB3 ALA A 109 10.489 -7.861 7.649 1.00 1.00 H new ATOM 1676 N GLU A 110 8.335 -9.804 7.454 1.00 1.00 N ATOM 1677 CA GLU A 110 7.331 -10.521 8.249 1.00 1.00 C ATOM 1678 C GLU A 110 5.982 -10.499 7.545 1.00 1.00 C ATOM 1679 O GLU A 110 5.187 -11.431 7.674 1.00 1.00 O ATOM 1680 CB GLU A 110 7.207 -9.874 9.630 1.00 1.00 C ATOM 1681 CG GLU A 110 6.754 -8.419 9.480 1.00 1.00 C ATOM 1682 CD GLU A 110 6.697 -7.746 10.846 1.00 1.00 C ATOM 1683 OE1 GLU A 110 6.806 -8.448 11.838 1.00 1.00 O ATOM 1684 OE2 GLU A 110 6.531 -6.538 10.881 1.00 1.00 O ATOM 0 H GLU A 110 8.067 -8.856 7.191 1.00 1.00 H new ATOM 0 HA GLU A 110 7.648 -11.558 8.363 1.00 1.00 H new ATOM 0 HB2 GLU A 110 6.491 -10.427 10.238 1.00 1.00 H new ATOM 0 HB3 GLU A 110 8.165 -9.915 10.149 1.00 1.00 H new ATOM 0 HG2 GLU A 110 7.443 -7.881 8.829 1.00 1.00 H new ATOM 0 HG3 GLU A 110 5.773 -8.382 9.006 1.00 1.00 H new ATOM 1691 N LEU A 111 5.726 -9.429 6.801 1.00 1.00 N ATOM 1692 CA LEU A 111 4.468 -9.303 6.088 1.00 1.00 C ATOM 1693 C LEU A 111 4.479 -10.255 4.899 1.00 1.00 C ATOM 1694 O LEU A 111 5.451 -10.315 4.144 1.00 1.00 O ATOM 1695 CB LEU A 111 4.273 -7.844 5.619 1.00 1.00 C ATOM 1696 CG LEU A 111 2.779 -7.460 5.570 1.00 1.00 C ATOM 1697 CD1 LEU A 111 1.983 -8.499 4.769 1.00 1.00 C ATOM 1698 CD2 LEU A 111 2.204 -7.344 6.999 1.00 1.00 C ATOM 0 H LEU A 111 6.368 -8.646 6.679 1.00 1.00 H new ATOM 0 HA LEU A 111 3.638 -9.561 6.746 1.00 1.00 H new ATOM 0 HB2 LEU A 111 4.801 -7.170 6.294 1.00 1.00 H new ATOM 0 HB3 LEU A 111 4.715 -7.716 4.631 1.00 1.00 H new ATOM 0 HG LEU A 111 2.691 -6.493 5.076 1.00 1.00 H new ATOM 0 HD11 LEU A 111 0.932 -8.212 4.745 1.00 1.00 H new ATOM 0 HD12 LEU A 111 2.369 -8.548 3.751 1.00 1.00 H new ATOM 0 HD13 LEU A 111 2.082 -9.476 5.242 1.00 1.00 H new ATOM 0 HD21 LEU A 111 1.150 -7.073 6.946 1.00 1.00 H new ATOM 0 HD22 LEU A 111 2.307 -8.300 7.511 1.00 1.00 H new ATOM 0 HD23 LEU A 111 2.749 -6.577 7.549 1.00 1.00 H new ATOM 1710 N LYS A 112 3.391 -10.986 4.734 1.00 1.00 N ATOM 1711 CA LYS A 112 3.273 -11.922 3.627 1.00 1.00 C ATOM 1712 C LYS A 112 1.813 -12.204 3.370 1.00 1.00 C ATOM 1713 O LYS A 112 1.224 -13.082 3.997 1.00 1.00 O ATOM 1714 CB LYS A 112 4.012 -13.220 3.937 1.00 1.00 C ATOM 1715 CG LYS A 112 4.040 -14.087 2.679 1.00 1.00 C ATOM 1716 CD LYS A 112 4.854 -15.348 2.952 1.00 1.00 C ATOM 1717 CE LYS A 112 4.900 -16.209 1.692 1.00 1.00 C ATOM 1718 NZ LYS A 112 5.709 -17.430 1.962 1.00 1.00 N ATOM 0 H LYS A 112 2.578 -10.951 5.349 1.00 1.00 H new ATOM 0 HA LYS A 112 3.723 -11.481 2.738 1.00 1.00 H new ATOM 0 HB2 LYS A 112 5.028 -13.005 4.269 1.00 1.00 H new ATOM 0 HB3 LYS A 112 3.516 -13.751 4.750 1.00 1.00 H new ATOM 0 HG2 LYS A 112 3.025 -14.353 2.384 1.00 1.00 H new ATOM 0 HG3 LYS A 112 4.477 -13.531 1.850 1.00 1.00 H new ATOM 0 HD2 LYS A 112 5.865 -15.081 3.260 1.00 1.00 H new ATOM 0 HD3 LYS A 112 4.409 -15.910 3.773 1.00 1.00 H new ATOM 0 HE2 LYS A 112 3.890 -16.487 1.390 1.00 1.00 H new ATOM 0 HE3 LYS A 112 5.335 -15.645 0.867 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 5.743 -18.020 1.106 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 6.675 -17.154 2.231 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 5.274 -17.970 2.737 1.00 1.00 H new ATOM 1732 N LEU A 113 1.226 -11.440 2.449 1.00 1.00 N ATOM 1733 CA LEU A 113 -0.199 -11.592 2.122 1.00 1.00 C ATOM 1734 C LEU A 113 -0.417 -11.521 0.608 1.00 1.00 C ATOM 1735 O LEU A 113 0.530 -11.415 -0.159 1.00 1.00 O ATOM 1736 CB LEU A 113 -1.017 -10.485 2.841 1.00 1.00 C ATOM 1737 CG LEU A 113 -1.842 -11.061 4.019 1.00 1.00 C ATOM 1738 CD1 LEU A 113 -2.857 -12.114 3.508 1.00 1.00 C ATOM 1739 CD2 LEU A 113 -0.908 -11.685 5.076 1.00 1.00 C ATOM 0 H LEU A 113 1.707 -10.714 1.918 1.00 1.00 H new ATOM 0 HA LEU A 113 -0.539 -12.569 2.465 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -0.341 -9.715 3.212 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -1.687 -10.005 2.127 1.00 1.00 H new ATOM 0 HG LEU A 113 -2.395 -10.245 4.483 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.427 -12.508 4.349 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -3.537 -11.648 2.795 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -2.322 -12.928 3.020 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -1.503 -12.085 5.897 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -0.330 -12.489 4.621 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -0.230 -10.922 5.458 1.00 1.00 H new ATOM 1751 N VAL A 114 -1.687 -11.567 0.197 1.00 1.00 N ATOM 1752 CA VAL A 114 -2.045 -11.508 -1.224 1.00 1.00 C ATOM 1753 C VAL A 114 -3.050 -10.382 -1.471 1.00 1.00 C ATOM 1754 O VAL A 114 -4.039 -10.260 -0.750 1.00 1.00 O ATOM 1755 CB VAL A 114 -2.676 -12.844 -1.648 1.00 1.00 C ATOM 1756 CG1 VAL A 114 -3.251 -12.724 -3.064 1.00 1.00 C ATOM 1757 CG2 VAL A 114 -1.617 -13.953 -1.617 1.00 1.00 C ATOM 0 H VAL A 114 -2.485 -11.645 0.828 1.00 1.00 H new ATOM 0 HA VAL A 114 -1.143 -11.318 -1.806 1.00 1.00 H new ATOM 0 HB VAL A 114 -3.479 -13.092 -0.954 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -3.696 -13.675 -3.358 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -4.013 -11.945 -3.082 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -2.453 -12.467 -3.760 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -2.070 -14.897 -1.918 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -0.808 -13.703 -2.304 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -1.219 -14.048 -0.607 1.00 1.00 H new ATOM 1767 N PHE A 115 -2.796 -9.566 -2.498 1.00 1.00 N ATOM 1768 CA PHE A 115 -3.694 -8.458 -2.840 1.00 1.00 C ATOM 1769 C PHE A 115 -4.093 -8.518 -4.312 1.00 1.00 C ATOM 1770 O PHE A 115 -3.275 -8.821 -5.182 1.00 1.00 O ATOM 1771 CB PHE A 115 -3.016 -7.110 -2.549 1.00 1.00 C ATOM 1772 CG PHE A 115 -3.033 -6.837 -1.063 1.00 1.00 C ATOM 1773 CD1 PHE A 115 -2.109 -7.467 -0.223 1.00 1.00 C ATOM 1774 CD2 PHE A 115 -3.974 -5.945 -0.527 1.00 1.00 C ATOM 1775 CE1 PHE A 115 -2.126 -7.208 1.152 1.00 1.00 C ATOM 1776 CE2 PHE A 115 -3.989 -5.688 0.847 1.00 1.00 C ATOM 1777 CZ PHE A 115 -3.066 -6.319 1.688 1.00 1.00 C ATOM 0 H PHE A 115 -1.980 -9.650 -3.105 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.590 -8.551 -2.227 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -1.989 -7.123 -2.914 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -3.533 -6.311 -3.081 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -1.383 -8.153 -0.635 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -4.686 -5.457 -1.176 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -1.413 -7.695 1.801 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -4.714 -5.002 1.260 1.00 1.00 H new ATOM 0 HZ PHE A 115 -3.078 -6.121 2.750 1.00 1.00 H new ATOM 1787 N GLN A 116 -5.363 -8.212 -4.571 1.00 1.00 N ATOM 1788 CA GLN A 116 -5.902 -8.209 -5.931 1.00 1.00 C ATOM 1789 C GLN A 116 -6.103 -6.774 -6.420 1.00 1.00 C ATOM 1790 O GLN A 116 -7.137 -6.159 -6.157 1.00 1.00 O ATOM 1791 CB GLN A 116 -7.242 -8.953 -5.972 1.00 1.00 C ATOM 1792 CG GLN A 116 -7.009 -10.465 -5.884 1.00 1.00 C ATOM 1793 CD GLN A 116 -6.600 -11.016 -7.247 1.00 1.00 C ATOM 1794 OE1 GLN A 116 -6.525 -12.230 -7.430 1.00 1.00 O ATOM 1795 NE2 GLN A 116 -6.330 -10.188 -8.218 1.00 1.00 N ATOM 0 H GLN A 116 -6.042 -7.961 -3.852 1.00 1.00 H new ATOM 0 HA GLN A 116 -5.189 -8.714 -6.583 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -7.874 -8.626 -5.146 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -7.772 -8.712 -6.893 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -6.232 -10.678 -5.150 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -7.917 -10.961 -5.541 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -6.393 -9.182 -8.063 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -6.056 -10.547 -9.133 1.00 1.00 H new ATOM 1804 N LEU A 117 -5.102 -6.237 -7.118 1.00 1.00 N ATOM 1805 CA LEU A 117 -5.169 -4.867 -7.631 1.00 1.00 C ATOM 1806 C LEU A 117 -5.720 -4.867 -9.071 1.00 1.00 C ATOM 1807 O LEU A 117 -5.546 -5.844 -9.798 1.00 1.00 O ATOM 1808 CB LEU A 117 -3.761 -4.253 -7.597 1.00 1.00 C ATOM 1809 CG LEU A 117 -3.069 -4.593 -6.265 1.00 1.00 C ATOM 1810 CD1 LEU A 117 -1.777 -3.781 -6.132 1.00 1.00 C ATOM 1811 CD2 LEU A 117 -4.002 -4.268 -5.090 1.00 1.00 C ATOM 0 H LEU A 117 -4.236 -6.728 -7.341 1.00 1.00 H new ATOM 0 HA LEU A 117 -5.839 -4.273 -7.009 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -3.170 -4.633 -8.430 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -3.824 -3.172 -7.718 1.00 1.00 H new ATOM 0 HG LEU A 117 -2.833 -5.657 -6.250 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -1.290 -4.024 -5.188 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -1.108 -4.023 -6.958 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -2.012 -2.717 -6.155 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -3.504 -4.512 -4.152 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -4.249 -3.206 -5.104 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -4.916 -4.855 -5.178 1.00 1.00 H new ATOM 1823 N PRO A 118 -6.392 -3.817 -9.500 1.00 1.00 N ATOM 1824 CA PRO A 118 -6.967 -3.754 -10.881 1.00 1.00 C ATOM 1825 C PRO A 118 -5.906 -3.502 -11.958 1.00 1.00 C ATOM 1826 O PRO A 118 -4.978 -2.716 -11.765 1.00 1.00 O ATOM 1827 CB PRO A 118 -7.966 -2.594 -10.796 1.00 1.00 C ATOM 1828 CG PRO A 118 -7.404 -1.686 -9.750 1.00 1.00 C ATOM 1829 CD PRO A 118 -6.681 -2.585 -8.738 1.00 1.00 C ATOM 0 HA PRO A 118 -7.423 -4.699 -11.177 1.00 1.00 H new ATOM 0 HB2 PRO A 118 -8.062 -2.083 -11.754 1.00 1.00 H new ATOM 0 HB3 PRO A 118 -8.960 -2.947 -10.522 1.00 1.00 H new ATOM 0 HG2 PRO A 118 -6.715 -0.965 -10.191 1.00 1.00 H new ATOM 0 HG3 PRO A 118 -8.196 -1.115 -9.266 1.00 1.00 H new ATOM 0 HD2 PRO A 118 -5.767 -2.119 -8.371 1.00 1.00 H new ATOM 0 HD3 PRO A 118 -7.305 -2.790 -7.868 1.00 1.00 H new ATOM 1837 N PHE A 119 -6.040 -4.215 -13.073 1.00 1.00 N ATOM 1838 CA PHE A 119 -5.106 -4.143 -14.196 1.00 1.00 C ATOM 1839 C PHE A 119 -4.588 -2.752 -14.479 1.00 1.00 C ATOM 1840 O PHE A 119 -5.361 -1.825 -14.728 1.00 1.00 O ATOM 1841 CB PHE A 119 -5.816 -4.645 -15.446 1.00 1.00 C ATOM 1842 CG PHE A 119 -4.827 -4.765 -16.575 1.00 1.00 C ATOM 1843 CD1 PHE A 119 -3.947 -5.853 -16.615 1.00 1.00 C ATOM 1844 CD2 PHE A 119 -4.789 -3.796 -17.584 1.00 1.00 C ATOM 1845 CE1 PHE A 119 -3.030 -5.971 -17.664 1.00 1.00 C ATOM 1846 CE2 PHE A 119 -3.872 -3.913 -18.635 1.00 1.00 C ATOM 1847 CZ PHE A 119 -2.993 -5.003 -18.675 1.00 1.00 C ATOM 0 H PHE A 119 -6.809 -4.867 -13.225 1.00 1.00 H new ATOM 0 HA PHE A 119 -4.245 -4.755 -13.925 1.00 1.00 H new ATOM 0 HB2 PHE A 119 -6.279 -5.612 -15.250 1.00 1.00 H new ATOM 0 HB3 PHE A 119 -6.617 -3.959 -15.722 1.00 1.00 H new ATOM 0 HD1 PHE A 119 -3.976 -6.601 -15.836 1.00 1.00 H new ATOM 0 HD2 PHE A 119 -5.468 -2.957 -17.552 1.00 1.00 H new ATOM 0 HE1 PHE A 119 -2.350 -6.809 -17.694 1.00 1.00 H new ATOM 0 HE2 PHE A 119 -3.842 -3.165 -19.413 1.00 1.00 H new ATOM 0 HZ PHE A 119 -2.286 -5.097 -19.486 1.00 1.00 H new ATOM 1857 N GLY A 120 -3.259 -2.632 -14.460 1.00 1.00 N ATOM 1858 CA GLY A 120 -2.584 -1.366 -14.736 1.00 1.00 C ATOM 1859 C GLY A 120 -3.445 -0.168 -14.350 1.00 1.00 C ATOM 1860 O GLY A 120 -4.033 -0.138 -13.272 1.00 1.00 O ATOM 0 H GLY A 120 -2.626 -3.405 -14.254 1.00 1.00 H new ATOM 0 HA2 GLY A 120 -1.643 -1.329 -14.187 1.00 1.00 H new ATOM 0 HA3 GLY A 120 -2.337 -1.309 -15.796 1.00 1.00 H new ATOM 1864 N SER A 121 -3.526 0.806 -15.242 1.00 1.00 N ATOM 1865 CA SER A 121 -4.327 1.993 -14.981 1.00 1.00 C ATOM 1866 C SER A 121 -3.940 2.606 -13.636 1.00 1.00 C ATOM 1867 O SER A 121 -2.791 2.998 -13.434 1.00 1.00 O ATOM 1868 CB SER A 121 -5.815 1.623 -14.977 1.00 1.00 C ATOM 1869 OG SER A 121 -6.105 0.842 -13.824 1.00 1.00 O ATOM 0 H SER A 121 -3.052 0.800 -16.145 1.00 1.00 H new ATOM 0 HA SER A 121 -4.141 2.725 -15.767 1.00 1.00 H new ATOM 0 HB2 SER A 121 -6.425 2.526 -14.981 1.00 1.00 H new ATOM 0 HB3 SER A 121 -6.065 1.065 -15.880 1.00 1.00 H new ATOM 0 HG SER A 121 -5.273 0.641 -13.347 1.00 1.00 H new ATOM 1875 N HIS A 122 -4.901 2.685 -12.723 1.00 1.00 N ATOM 1876 CA HIS A 122 -4.646 3.252 -11.407 1.00 1.00 C ATOM 1877 C HIS A 122 -3.668 2.377 -10.626 1.00 1.00 C ATOM 1878 O HIS A 122 -3.178 2.774 -9.571 1.00 1.00 O ATOM 1879 CB HIS A 122 -5.961 3.383 -10.630 1.00 1.00 C ATOM 1880 CG HIS A 122 -5.755 4.247 -9.416 1.00 1.00 C ATOM 1881 ND1 HIS A 122 -5.280 5.545 -9.504 1.00 1.00 N ATOM 1882 CD2 HIS A 122 -5.973 4.019 -8.077 1.00 1.00 C ATOM 1883 CE1 HIS A 122 -5.228 6.045 -8.256 1.00 1.00 C ATOM 1884 NE2 HIS A 122 -5.640 5.157 -7.348 1.00 1.00 N ATOM 0 H HIS A 122 -5.858 2.365 -12.870 1.00 1.00 H new ATOM 0 HA HIS A 122 -4.204 4.240 -11.536 1.00 1.00 H new ATOM 0 HB2 HIS A 122 -6.730 3.817 -11.270 1.00 1.00 H new ATOM 0 HB3 HIS A 122 -6.316 2.397 -10.329 1.00 1.00 H new ATOM 0 HD1 HIS A 122 -5.017 6.033 -10.360 1.00 1.00 H new ATOM 0 HD2 HIS A 122 -6.346 3.097 -7.656 1.00 1.00 H new ATOM 0 HE1 HIS A 122 -4.893 7.044 -8.018 1.00 1.00 H new ATOM 1892 N THR A 123 -3.385 1.179 -11.152 1.00 1.00 N ATOM 1893 CA THR A 123 -2.454 0.261 -10.484 1.00 1.00 C ATOM 1894 C THR A 123 -1.045 0.368 -11.052 1.00 1.00 C ATOM 1895 O THR A 123 -0.077 0.177 -10.327 1.00 1.00 O ATOM 1896 CB THR A 123 -2.921 -1.187 -10.631 1.00 1.00 C ATOM 1897 OG1 THR A 123 -4.189 -1.338 -10.011 1.00 1.00 O ATOM 1898 CG2 THR A 123 -1.904 -2.119 -9.962 1.00 1.00 C ATOM 0 H THR A 123 -3.780 0.826 -12.024 1.00 1.00 H new ATOM 0 HA THR A 123 -2.438 0.548 -9.432 1.00 1.00 H new ATOM 0 HB THR A 123 -3.003 -1.441 -11.688 1.00 1.00 H new ATOM 0 HG1 THR A 123 -4.678 -2.071 -10.440 1.00 1.00 H new ATOM 0 HG21 THR A 123 -2.235 -3.152 -10.065 1.00 1.00 H new ATOM 0 HG22 THR A 123 -0.932 -2.000 -10.440 1.00 1.00 H new ATOM 0 HG23 THR A 123 -1.822 -1.868 -8.904 1.00 1.00 H new ATOM 1906 N ARG A 124 -0.930 0.643 -12.345 1.00 1.00 N ATOM 1907 CA ARG A 124 0.380 0.726 -12.983 1.00 1.00 C ATOM 1908 C ARG A 124 1.283 1.747 -12.316 1.00 1.00 C ATOM 1909 O ARG A 124 2.465 1.492 -12.090 1.00 1.00 O ATOM 1910 CB ARG A 124 0.192 1.127 -14.456 1.00 1.00 C ATOM 1911 CG ARG A 124 1.546 1.430 -15.112 1.00 1.00 C ATOM 1912 CD ARG A 124 1.338 1.813 -16.566 1.00 1.00 C ATOM 1913 NE ARG A 124 0.431 2.952 -16.672 1.00 1.00 N ATOM 1914 CZ ARG A 124 0.052 3.423 -17.859 1.00 1.00 C ATOM 1915 NH1 ARG A 124 0.504 2.871 -18.952 1.00 1.00 N ATOM 1916 NH2 ARG A 124 -0.768 4.436 -17.929 1.00 1.00 N ATOM 0 H ARG A 124 -1.719 0.811 -12.969 1.00 1.00 H new ATOM 0 HA ARG A 124 0.854 -0.252 -12.893 1.00 1.00 H new ATOM 0 HB2 ARG A 124 -0.308 0.323 -14.996 1.00 1.00 H new ATOM 0 HB3 ARG A 124 -0.453 2.003 -14.520 1.00 1.00 H new ATOM 0 HG2 ARG A 124 2.045 2.241 -14.581 1.00 1.00 H new ATOM 0 HG3 ARG A 124 2.196 0.558 -15.045 1.00 1.00 H new ATOM 0 HD2 ARG A 124 2.296 2.060 -17.023 1.00 1.00 H new ATOM 0 HD3 ARG A 124 0.931 0.965 -17.117 1.00 1.00 H new ATOM 0 HE ARG A 124 0.081 3.395 -15.822 1.00 1.00 H new ATOM 0 HH11 ARG A 124 1.146 2.080 -18.896 1.00 1.00 H new ATOM 0 HH12 ARG A 124 0.215 3.230 -19.862 1.00 1.00 H new ATOM 0 HH21 ARG A 124 -1.119 4.868 -17.074 1.00 1.00 H new ATOM 0 HH22 ARG A 124 -1.058 4.796 -18.838 1.00 1.00 H new ATOM 1930 N THR A 125 0.733 2.905 -12.035 1.00 1.00 N ATOM 1931 CA THR A 125 1.516 3.960 -11.434 1.00 1.00 C ATOM 1932 C THR A 125 2.101 3.485 -10.112 1.00 1.00 C ATOM 1933 O THR A 125 3.261 3.743 -9.805 1.00 1.00 O ATOM 1934 CB THR A 125 0.638 5.194 -11.191 1.00 1.00 C ATOM 1935 OG1 THR A 125 1.361 6.139 -10.412 1.00 1.00 O ATOM 1936 CG2 THR A 125 -0.634 4.785 -10.443 1.00 1.00 C ATOM 0 H THR A 125 -0.244 3.140 -12.211 1.00 1.00 H new ATOM 0 HA THR A 125 2.327 4.224 -12.113 1.00 1.00 H new ATOM 0 HB THR A 125 0.365 5.638 -12.148 1.00 1.00 H new ATOM 0 HG1 THR A 125 0.803 6.930 -10.256 1.00 1.00 H new ATOM 0 HG21 THR A 125 -1.255 5.665 -10.273 1.00 1.00 H new ATOM 0 HG22 THR A 125 -1.189 4.059 -11.038 1.00 1.00 H new ATOM 0 HG23 THR A 125 -0.365 4.339 -9.485 1.00 1.00 H new ATOM 1944 N PHE A 126 1.275 2.806 -9.328 1.00 1.00 N ATOM 1945 CA PHE A 126 1.700 2.316 -8.028 1.00 1.00 C ATOM 1946 C PHE A 126 2.940 1.444 -8.151 1.00 1.00 C ATOM 1947 O PHE A 126 3.880 1.590 -7.371 1.00 1.00 O ATOM 1948 CB PHE A 126 0.574 1.516 -7.375 1.00 1.00 C ATOM 1949 CG PHE A 126 1.050 0.957 -6.051 1.00 1.00 C ATOM 1950 CD1 PHE A 126 1.412 1.826 -5.011 1.00 1.00 C ATOM 1951 CD2 PHE A 126 1.122 -0.430 -5.856 1.00 1.00 C ATOM 1952 CE1 PHE A 126 1.844 1.308 -3.786 1.00 1.00 C ATOM 1953 CE2 PHE A 126 1.557 -0.944 -4.630 1.00 1.00 C ATOM 1954 CZ PHE A 126 1.917 -0.076 -3.596 1.00 1.00 C ATOM 0 H PHE A 126 0.310 2.583 -9.570 1.00 1.00 H new ATOM 0 HA PHE A 126 1.943 3.178 -7.406 1.00 1.00 H new ATOM 0 HB2 PHE A 126 -0.296 2.154 -7.220 1.00 1.00 H new ATOM 0 HB3 PHE A 126 0.262 0.705 -8.033 1.00 1.00 H new ATOM 0 HD1 PHE A 126 1.357 2.895 -5.156 1.00 1.00 H new ATOM 0 HD2 PHE A 126 0.841 -1.102 -6.653 1.00 1.00 H new ATOM 0 HE1 PHE A 126 2.122 1.978 -2.985 1.00 1.00 H new ATOM 0 HE2 PHE A 126 1.615 -2.012 -4.483 1.00 1.00 H new ATOM 0 HZ PHE A 126 2.252 -0.474 -2.649 1.00 1.00 H new ATOM 1964 N LEU A 127 2.924 0.498 -9.082 1.00 1.00 N ATOM 1965 CA LEU A 127 4.050 -0.412 -9.225 1.00 1.00 C ATOM 1966 C LEU A 127 5.351 0.343 -9.398 1.00 1.00 C ATOM 1967 O LEU A 127 6.346 0.035 -8.740 1.00 1.00 O ATOM 1968 CB LEU A 127 3.863 -1.286 -10.465 1.00 1.00 C ATOM 1969 CG LEU A 127 2.482 -1.931 -10.458 1.00 1.00 C ATOM 1970 CD1 LEU A 127 2.319 -2.780 -11.719 1.00 1.00 C ATOM 1971 CD2 LEU A 127 2.316 -2.813 -9.211 1.00 1.00 C ATOM 0 H LEU A 127 2.158 0.343 -9.738 1.00 1.00 H new ATOM 0 HA LEU A 127 4.091 -1.017 -8.319 1.00 1.00 H new ATOM 0 HB2 LEU A 127 3.985 -0.683 -11.365 1.00 1.00 H new ATOM 0 HB3 LEU A 127 4.632 -2.058 -10.493 1.00 1.00 H new ATOM 0 HG LEU A 127 1.720 -1.152 -10.438 1.00 1.00 H new ATOM 0 HD11 LEU A 127 1.333 -3.244 -11.720 1.00 1.00 H new ATOM 0 HD12 LEU A 127 2.423 -2.147 -12.600 1.00 1.00 H new ATOM 0 HD13 LEU A 127 3.085 -3.555 -11.737 1.00 1.00 H new ATOM 0 HD21 LEU A 127 1.326 -3.269 -9.217 1.00 1.00 H new ATOM 0 HD22 LEU A 127 3.075 -3.595 -9.215 1.00 1.00 H new ATOM 0 HD23 LEU A 127 2.429 -2.202 -8.315 1.00 1.00 H new ATOM 1983 N GLN A 128 5.362 1.307 -10.306 1.00 1.00 N ATOM 1984 CA GLN A 128 6.567 2.065 -10.583 1.00 1.00 C ATOM 1985 C GLN A 128 7.045 2.858 -9.366 1.00 1.00 C ATOM 1986 O GLN A 128 8.246 2.929 -9.105 1.00 1.00 O ATOM 1987 CB GLN A 128 6.280 3.007 -11.743 1.00 1.00 C ATOM 1988 CG GLN A 128 6.032 2.170 -12.997 1.00 1.00 C ATOM 1989 CD GLN A 128 5.542 3.059 -14.117 1.00 1.00 C ATOM 1990 OE1 GLN A 128 6.336 3.636 -14.859 1.00 1.00 O ATOM 1991 NE2 GLN A 128 4.262 3.203 -14.283 1.00 1.00 N ATOM 0 H GLN A 128 4.551 1.581 -10.861 1.00 1.00 H new ATOM 0 HA GLN A 128 7.367 1.369 -10.837 1.00 1.00 H new ATOM 0 HB2 GLN A 128 5.410 3.626 -11.522 1.00 1.00 H new ATOM 0 HB3 GLN A 128 7.121 3.683 -11.899 1.00 1.00 H new ATOM 0 HG2 GLN A 128 6.951 1.665 -13.296 1.00 1.00 H new ATOM 0 HG3 GLN A 128 5.296 1.394 -12.788 1.00 1.00 H new ATOM 0 HE21 GLN A 128 3.610 2.721 -13.664 1.00 1.00 H new ATOM 0 HE22 GLN A 128 3.909 3.798 -15.033 1.00 1.00 H new ATOM 2000 N GLU A 129 6.112 3.466 -8.638 1.00 1.00 N ATOM 2001 CA GLU A 129 6.479 4.264 -7.468 1.00 1.00 C ATOM 2002 C GLU A 129 7.193 3.411 -6.422 1.00 1.00 C ATOM 2003 O GLU A 129 8.200 3.825 -5.855 1.00 1.00 O ATOM 2004 CB GLU A 129 5.231 4.891 -6.840 1.00 1.00 C ATOM 2005 CG GLU A 129 4.607 5.904 -7.801 1.00 1.00 C ATOM 2006 CD GLU A 129 5.545 7.087 -8.005 1.00 1.00 C ATOM 2007 OE1 GLU A 129 6.419 7.272 -7.176 1.00 1.00 O ATOM 2008 OE2 GLU A 129 5.376 7.790 -8.987 1.00 1.00 O ATOM 0 H GLU A 129 5.111 3.424 -8.832 1.00 1.00 H new ATOM 0 HA GLU A 129 7.156 5.050 -7.802 1.00 1.00 H new ATOM 0 HB2 GLU A 129 4.506 4.113 -6.599 1.00 1.00 H new ATOM 0 HB3 GLU A 129 5.494 5.382 -5.903 1.00 1.00 H new ATOM 0 HG2 GLU A 129 4.399 5.427 -8.759 1.00 1.00 H new ATOM 0 HG3 GLU A 129 3.653 6.252 -7.405 1.00 1.00 H new ATOM 2015 N VAL A 130 6.666 2.223 -6.171 1.00 1.00 N ATOM 2016 CA VAL A 130 7.274 1.332 -5.189 1.00 1.00 C ATOM 2017 C VAL A 130 8.671 0.909 -5.653 1.00 1.00 C ATOM 2018 O VAL A 130 9.623 0.898 -4.874 1.00 1.00 O ATOM 2019 CB VAL A 130 6.386 0.102 -4.985 1.00 1.00 C ATOM 2020 CG1 VAL A 130 7.104 -0.919 -4.100 1.00 1.00 C ATOM 2021 CG2 VAL A 130 5.086 0.532 -4.304 1.00 1.00 C ATOM 0 H VAL A 130 5.830 1.855 -6.625 1.00 1.00 H new ATOM 0 HA VAL A 130 7.369 1.860 -4.240 1.00 1.00 H new ATOM 0 HB VAL A 130 6.170 -0.351 -5.952 1.00 1.00 H new ATOM 0 HG11 VAL A 130 6.466 -1.791 -3.959 1.00 1.00 H new ATOM 0 HG12 VAL A 130 8.035 -1.224 -4.578 1.00 1.00 H new ATOM 0 HG13 VAL A 130 7.323 -0.470 -3.131 1.00 1.00 H new ATOM 0 HG21 VAL A 130 4.448 -0.339 -4.155 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.313 0.984 -3.339 1.00 1.00 H new ATOM 0 HG23 VAL A 130 4.569 1.258 -4.932 1.00 1.00 H new ATOM 2031 N ALA A 131 8.765 0.537 -6.924 1.00 1.00 N ATOM 2032 CA ALA A 131 10.031 0.079 -7.501 1.00 1.00 C ATOM 2033 C ALA A 131 11.164 1.084 -7.292 1.00 1.00 C ATOM 2034 O ALA A 131 12.266 0.708 -6.894 1.00 1.00 O ATOM 2035 CB ALA A 131 9.856 -0.164 -9.001 1.00 1.00 C ATOM 0 H ALA A 131 7.982 0.542 -7.578 1.00 1.00 H new ATOM 0 HA ALA A 131 10.302 -0.844 -6.989 1.00 1.00 H new ATOM 0 HB1 ALA A 131 10.800 -0.505 -9.427 1.00 1.00 H new ATOM 0 HB2 ALA A 131 9.091 -0.924 -9.160 1.00 1.00 H new ATOM 0 HB3 ALA A 131 9.552 0.763 -9.487 1.00 1.00 H new ATOM 2041 N ARG A 132 10.901 2.353 -7.568 1.00 1.00 N ATOM 2042 CA ARG A 132 11.926 3.382 -7.410 1.00 1.00 C ATOM 2043 C ARG A 132 12.091 3.765 -5.942 1.00 1.00 C ATOM 2044 O ARG A 132 13.101 4.348 -5.548 1.00 1.00 O ATOM 2045 CB ARG A 132 11.549 4.621 -8.232 1.00 1.00 C ATOM 2046 CG ARG A 132 10.308 5.287 -7.634 1.00 1.00 C ATOM 2047 CD ARG A 132 9.918 6.496 -8.476 1.00 1.00 C ATOM 2048 NE ARG A 132 8.827 7.217 -7.826 1.00 1.00 N ATOM 2049 CZ ARG A 132 9.073 8.151 -6.910 1.00 1.00 C ATOM 2050 NH1 ARG A 132 10.303 8.425 -6.572 1.00 1.00 N ATOM 2051 NH2 ARG A 132 8.087 8.789 -6.343 1.00 1.00 N ATOM 0 H ARG A 132 9.999 2.695 -7.899 1.00 1.00 H new ATOM 0 HA ARG A 132 12.874 2.982 -7.769 1.00 1.00 H new ATOM 0 HB2 ARG A 132 12.380 5.326 -8.244 1.00 1.00 H new ATOM 0 HB3 ARG A 132 11.357 4.337 -9.267 1.00 1.00 H new ATOM 0 HG2 ARG A 132 9.483 4.575 -7.598 1.00 1.00 H new ATOM 0 HG3 ARG A 132 10.508 5.596 -6.608 1.00 1.00 H new ATOM 0 HD2 ARG A 132 10.777 7.155 -8.604 1.00 1.00 H new ATOM 0 HD3 ARG A 132 9.612 6.175 -9.472 1.00 1.00 H new ATOM 0 HE ARG A 132 7.862 7.002 -8.078 1.00 1.00 H new ATOM 0 HH11 ARG A 132 11.076 7.924 -7.010 1.00 1.00 H new ATOM 0 HH12 ARG A 132 10.492 9.141 -5.870 1.00 1.00 H new ATOM 0 HH21 ARG A 132 7.124 8.573 -6.601 1.00 1.00 H new ATOM 0 HH22 ARG A 132 8.279 9.504 -5.641 1.00 1.00 H new ATOM 2065 N ALA A 133 11.072 3.464 -5.146 1.00 1.00 N ATOM 2066 CA ALA A 133 11.086 3.800 -3.728 1.00 1.00 C ATOM 2067 C ALA A 133 12.342 3.273 -3.037 1.00 1.00 C ATOM 2068 O ALA A 133 12.661 3.690 -1.923 1.00 1.00 O ATOM 2069 CB ALA A 133 9.841 3.228 -3.053 1.00 1.00 C ATOM 0 H ALA A 133 10.226 2.988 -5.459 1.00 1.00 H new ATOM 0 HA ALA A 133 11.089 4.886 -3.638 1.00 1.00 H new ATOM 0 HB1 ALA A 133 9.854 3.480 -1.993 1.00 1.00 H new ATOM 0 HB2 ALA A 133 8.949 3.651 -3.516 1.00 1.00 H new ATOM 0 HB3 ALA A 133 9.830 2.144 -3.168 1.00 1.00 H new ATOM 2075 N CYS A 134 13.077 2.388 -3.713 1.00 1.00 N ATOM 2076 CA CYS A 134 14.322 1.856 -3.150 1.00 1.00 C ATOM 2077 C CYS A 134 14.829 0.626 -3.925 1.00 1.00 C ATOM 2078 O CYS A 134 16.015 0.549 -4.248 1.00 1.00 O ATOM 2079 CB CYS A 134 14.154 1.520 -1.640 1.00 1.00 C ATOM 2080 SG CYS A 134 14.924 2.814 -0.628 1.00 1.00 S ATOM 0 H CYS A 134 12.838 2.028 -4.637 1.00 1.00 H new ATOM 0 HA CYS A 134 15.075 2.638 -3.250 1.00 1.00 H new ATOM 0 HB2 CYS A 134 13.096 1.435 -1.393 1.00 1.00 H new ATOM 0 HB3 CYS A 134 14.611 0.555 -1.421 1.00 1.00 H new ATOM 0 HG CYS A 134 14.222 3.905 -0.711 1.00 1.00 H new ATOM 2086 N PRO A 135 13.983 -0.336 -4.212 1.00 1.00 N ATOM 2087 CA PRO A 135 14.398 -1.572 -4.941 1.00 1.00 C ATOM 2088 C PRO A 135 15.096 -1.284 -6.261 1.00 1.00 C ATOM 2089 O PRO A 135 16.062 -1.971 -6.596 1.00 1.00 O ATOM 2090 CB PRO A 135 13.084 -2.328 -5.177 1.00 1.00 C ATOM 2091 CG PRO A 135 12.166 -1.829 -4.113 1.00 1.00 C ATOM 2092 CD PRO A 135 12.551 -0.367 -3.880 1.00 1.00 C ATOM 0 HA PRO A 135 15.128 -2.139 -4.364 1.00 1.00 H new ATOM 0 HB2 PRO A 135 12.684 -2.128 -6.171 1.00 1.00 H new ATOM 0 HB3 PRO A 135 13.228 -3.406 -5.103 1.00 1.00 H new ATOM 0 HG2 PRO A 135 11.125 -1.914 -4.424 1.00 1.00 H new ATOM 0 HG3 PRO A 135 12.274 -2.412 -3.198 1.00 1.00 H new ATOM 0 HD2 PRO A 135 11.976 0.306 -4.516 1.00 1.00 H new ATOM 0 HD3 PRO A 135 12.371 -0.063 -2.849 1.00 1.00 H new ATOM 2232 N GLU A 145 14.838 2.612 7.085 1.00 1.00 N ATOM 2233 CA GLU A 145 14.554 3.521 8.194 1.00 1.00 C ATOM 2234 C GLU A 145 13.054 3.519 8.466 1.00 1.00 C ATOM 2235 O GLU A 145 12.259 3.254 7.566 1.00 1.00 O ATOM 2236 CB GLU A 145 15.024 4.946 7.858 1.00 1.00 C ATOM 2237 CG GLU A 145 14.908 5.843 9.097 1.00 1.00 C ATOM 2238 CD GLU A 145 15.386 7.256 8.761 1.00 1.00 C ATOM 2239 OE1 GLU A 145 16.028 7.415 7.737 1.00 1.00 O ATOM 2240 OE2 GLU A 145 15.100 8.157 9.534 1.00 1.00 O ATOM 0 HA GLU A 145 15.091 3.184 9.081 1.00 1.00 H new ATOM 0 HB2 GLU A 145 16.057 4.924 7.510 1.00 1.00 H new ATOM 0 HB3 GLU A 145 14.422 5.354 7.046 1.00 1.00 H new ATOM 0 HG2 GLU A 145 13.874 5.871 9.441 1.00 1.00 H new ATOM 0 HG3 GLU A 145 15.504 5.432 9.912 1.00 1.00 H new ATOM 2247 N PHE A 146 12.673 3.790 9.708 1.00 1.00 N ATOM 2248 CA PHE A 146 11.258 3.788 10.072 1.00 1.00 C ATOM 2249 C PHE A 146 11.056 4.446 11.436 1.00 1.00 C ATOM 2250 O PHE A 146 9.932 4.649 11.883 1.00 1.00 O ATOM 2251 CB PHE A 146 10.748 2.338 10.106 1.00 1.00 C ATOM 2252 CG PHE A 146 11.846 1.430 10.612 1.00 1.00 C ATOM 2253 CD1 PHE A 146 12.136 1.382 11.979 1.00 1.00 C ATOM 2254 CD2 PHE A 146 12.574 0.641 9.714 1.00 1.00 C ATOM 2255 CE1 PHE A 146 13.153 0.544 12.450 1.00 1.00 C ATOM 2256 CE2 PHE A 146 13.591 -0.197 10.184 1.00 1.00 C ATOM 2257 CZ PHE A 146 13.881 -0.247 11.552 1.00 1.00 C ATOM 0 H PHE A 146 13.312 4.011 10.472 1.00 1.00 H new ATOM 0 HA PHE A 146 10.696 4.357 9.331 1.00 1.00 H new ATOM 0 HB2 PHE A 146 9.873 2.264 10.752 1.00 1.00 H new ATOM 0 HB3 PHE A 146 10.435 2.028 9.109 1.00 1.00 H new ATOM 0 HD1 PHE A 146 11.575 1.992 12.672 1.00 1.00 H new ATOM 0 HD2 PHE A 146 12.351 0.679 8.658 1.00 1.00 H new ATOM 0 HE1 PHE A 146 13.377 0.507 13.506 1.00 1.00 H new ATOM 0 HE2 PHE A 146 14.152 -0.806 9.491 1.00 1.00 H new ATOM 0 HZ PHE A 146 14.665 -0.895 11.915 1.00 1.00 H new ATOM 2267 N GLU A 147 12.162 4.748 12.097 1.00 1.00 N ATOM 2268 CA GLU A 147 12.129 5.354 13.427 1.00 1.00 C ATOM 2269 C GLU A 147 11.207 6.574 13.489 1.00 1.00 C ATOM 2270 O GLU A 147 10.899 7.065 14.575 1.00 1.00 O ATOM 2271 CB GLU A 147 13.541 5.776 13.837 1.00 1.00 C ATOM 2272 CG GLU A 147 14.418 4.538 14.038 1.00 1.00 C ATOM 2273 CD GLU A 147 15.845 4.966 14.370 1.00 1.00 C ATOM 2274 OE1 GLU A 147 16.080 6.160 14.458 1.00 1.00 O ATOM 2275 OE2 GLU A 147 16.681 4.092 14.534 1.00 1.00 O ATOM 0 H GLU A 147 13.101 4.584 11.735 1.00 1.00 H new ATOM 0 HA GLU A 147 11.737 4.603 14.113 1.00 1.00 H new ATOM 0 HB2 GLU A 147 13.975 6.419 13.071 1.00 1.00 H new ATOM 0 HB3 GLU A 147 13.503 6.358 14.758 1.00 1.00 H new ATOM 0 HG2 GLU A 147 14.016 3.923 14.843 1.00 1.00 H new ATOM 0 HG3 GLU A 147 14.412 3.926 13.136 1.00 1.00 H new ATOM 2282 N TRP A 148 10.781 7.079 12.331 1.00 1.00 N ATOM 2283 CA TRP A 148 9.910 8.260 12.297 1.00 1.00 C ATOM 2284 C TRP A 148 8.441 7.872 12.144 1.00 1.00 C ATOM 2285 O TRP A 148 7.562 8.561 12.665 1.00 1.00 O ATOM 2286 CB TRP A 148 10.331 9.188 11.152 1.00 1.00 C ATOM 2287 CG TRP A 148 10.290 8.448 9.853 1.00 1.00 C ATOM 2288 CD1 TRP A 148 11.263 7.621 9.408 1.00 1.00 C ATOM 2289 CD2 TRP A 148 9.261 8.463 8.820 1.00 1.00 C ATOM 2290 NE1 TRP A 148 10.893 7.116 8.175 1.00 1.00 N ATOM 2291 CE2 TRP A 148 9.667 7.606 7.769 1.00 1.00 C ATOM 2292 CE3 TRP A 148 8.025 9.124 8.693 1.00 1.00 C ATOM 2293 CZ2 TRP A 148 8.878 7.411 6.634 1.00 1.00 C ATOM 2294 CZ3 TRP A 148 7.227 8.930 7.551 1.00 1.00 C ATOM 2295 CH2 TRP A 148 7.653 8.074 6.523 1.00 1.00 C ATOM 0 H TRP A 148 11.019 6.698 11.415 1.00 1.00 H new ATOM 0 HA TRP A 148 10.018 8.783 13.247 1.00 1.00 H new ATOM 0 HB2 TRP A 148 9.667 10.051 11.109 1.00 1.00 H new ATOM 0 HB3 TRP A 148 11.337 9.568 11.332 1.00 1.00 H new ATOM 0 HD1 TRP A 148 12.180 7.392 9.931 1.00 1.00 H new ATOM 0 HE1 TRP A 148 11.456 6.462 7.632 1.00 1.00 H new ATOM 0 HE3 TRP A 148 7.687 9.785 9.478 1.00 1.00 H new ATOM 0 HZ2 TRP A 148 9.212 6.752 5.847 1.00 1.00 H new ATOM 0 HZ3 TRP A 148 6.280 9.443 7.464 1.00 1.00 H new ATOM 0 HH2 TRP A 148 7.036 7.928 5.649 1.00 1.00 H new ATOM 2306 N LEU A 149 8.163 6.765 11.445 1.00 1.00 N ATOM 2307 CA LEU A 149 6.781 6.307 11.261 1.00 1.00 C ATOM 2308 C LEU A 149 6.491 5.114 12.162 1.00 1.00 C ATOM 2309 O LEU A 149 5.419 4.511 12.089 1.00 1.00 O ATOM 2310 CB LEU A 149 6.524 5.926 9.793 1.00 1.00 C ATOM 2311 CG LEU A 149 7.626 4.976 9.275 1.00 1.00 C ATOM 2312 CD1 LEU A 149 7.531 3.604 9.975 1.00 1.00 C ATOM 2313 CD2 LEU A 149 7.482 4.777 7.748 1.00 1.00 C ATOM 0 H LEU A 149 8.868 6.176 11.002 1.00 1.00 H new ATOM 0 HA LEU A 149 6.115 7.126 11.531 1.00 1.00 H new ATOM 0 HB2 LEU A 149 5.550 5.445 9.702 1.00 1.00 H new ATOM 0 HB3 LEU A 149 6.494 6.826 9.178 1.00 1.00 H new ATOM 0 HG LEU A 149 8.594 5.425 9.496 1.00 1.00 H new ATOM 0 HD11 LEU A 149 8.315 2.948 9.597 1.00 1.00 H new ATOM 0 HD12 LEU A 149 7.654 3.735 11.050 1.00 1.00 H new ATOM 0 HD13 LEU A 149 6.557 3.159 9.773 1.00 1.00 H new ATOM 0 HD21 LEU A 149 8.264 4.106 7.393 1.00 1.00 H new ATOM 0 HD22 LEU A 149 6.506 4.345 7.528 1.00 1.00 H new ATOM 0 HD23 LEU A 149 7.575 5.740 7.245 1.00 1.00 H new ATOM 2325 N SER A 150 7.471 4.764 12.994 1.00 1.00 N ATOM 2326 CA SER A 150 7.335 3.630 13.890 1.00 1.00 C ATOM 2327 C SER A 150 6.264 3.896 14.918 1.00 1.00 C ATOM 2328 O SER A 150 5.324 3.113 15.070 1.00 1.00 O ATOM 2329 CB SER A 150 8.655 3.387 14.616 1.00 1.00 C ATOM 2330 OG SER A 150 9.630 2.959 13.677 1.00 1.00 O ATOM 0 H SER A 150 8.364 5.252 13.062 1.00 1.00 H new ATOM 0 HA SER A 150 7.063 2.756 13.299 1.00 1.00 H new ATOM 0 HB2 SER A 150 8.985 4.300 15.111 1.00 1.00 H new ATOM 0 HB3 SER A 150 8.524 2.633 15.392 1.00 1.00 H new ATOM 0 HG SER A 150 9.367 3.248 12.778 1.00 1.00 H new ATOM 2336 N ARG A 151 6.396 5.015 15.629 1.00 1.00 N ATOM 2337 CA ARG A 151 5.426 5.380 16.641 1.00 1.00 C ATOM 2338 C ARG A 151 4.065 5.516 16.014 1.00 1.00 C ATOM 2339 O ARG A 151 3.068 5.069 16.575 1.00 1.00 O ATOM 2340 CB ARG A 151 5.841 6.722 17.248 1.00 1.00 C ATOM 2341 CG ARG A 151 5.912 7.786 16.137 1.00 1.00 C ATOM 2342 CD ARG A 151 6.693 9.007 16.628 1.00 1.00 C ATOM 2343 NE ARG A 151 5.983 9.653 17.723 1.00 1.00 N ATOM 2344 CZ ARG A 151 5.000 10.517 17.491 1.00 1.00 C ATOM 2345 NH1 ARG A 151 4.651 10.791 16.263 1.00 1.00 N ATOM 2346 NH2 ARG A 151 4.385 11.087 18.488 1.00 1.00 N ATOM 0 H ARG A 151 7.164 5.677 15.518 1.00 1.00 H new ATOM 0 HA ARG A 151 5.387 4.612 17.413 1.00 1.00 H new ATOM 0 HB2 ARG A 151 5.125 7.025 18.012 1.00 1.00 H new ATOM 0 HB3 ARG A 151 6.810 6.628 17.739 1.00 1.00 H new ATOM 0 HG2 ARG A 151 6.393 7.368 15.253 1.00 1.00 H new ATOM 0 HG3 ARG A 151 4.906 8.083 15.842 1.00 1.00 H new ATOM 0 HD2 ARG A 151 7.686 8.703 16.958 1.00 1.00 H new ATOM 0 HD3 ARG A 151 6.831 9.712 15.809 1.00 1.00 H new ATOM 0 HE ARG A 151 6.245 9.439 18.685 1.00 1.00 H new ATOM 0 HH11 ARG A 151 5.132 10.342 15.484 1.00 1.00 H new ATOM 0 HH12 ARG A 151 3.897 11.454 16.083 1.00 1.00 H new ATOM 0 HH21 ARG A 151 4.658 10.870 19.447 1.00 1.00 H new ATOM 0 HH22 ARG A 151 3.631 11.750 18.310 1.00 1.00 H new ATOM 2360 N HIS A 152 4.045 6.133 14.843 1.00 1.00 N ATOM 2361 CA HIS A 152 2.804 6.322 14.126 1.00 1.00 C ATOM 2362 C HIS A 152 2.079 4.986 14.017 1.00 1.00 C ATOM 2363 O HIS A 152 1.480 4.527 14.983 1.00 1.00 O ATOM 2364 CB HIS A 152 3.099 6.884 12.719 1.00 1.00 C ATOM 2365 CG HIS A 152 3.164 8.387 12.769 1.00 1.00 C ATOM 2366 ND1 HIS A 152 2.131 9.144 13.293 1.00 1.00 N ATOM 2367 CD2 HIS A 152 4.113 9.288 12.353 1.00 1.00 C ATOM 2368 CE1 HIS A 152 2.476 10.436 13.179 1.00 1.00 C ATOM 2369 NE2 HIS A 152 3.676 10.581 12.613 1.00 1.00 N ATOM 0 H HIS A 152 4.871 6.507 14.375 1.00 1.00 H new ATOM 0 HA HIS A 152 2.172 7.030 14.662 1.00 1.00 H new ATOM 0 HB2 HIS A 152 4.042 6.483 12.349 1.00 1.00 H new ATOM 0 HB3 HIS A 152 2.323 6.568 12.022 1.00 1.00 H new ATOM 0 HD2 HIS A 152 5.056 9.031 11.893 1.00 1.00 H new ATOM 0 HE1 HIS A 152 1.857 11.259 13.506 1.00 1.00 H new ATOM 0 HE2 HIS A 152 4.166 11.453 12.414 1.00 1.00 H new ATOM 2377 N THR A 153 2.138 4.377 12.836 1.00 1.00 N ATOM 2378 CA THR A 153 1.476 3.103 12.609 1.00 1.00 C ATOM 2379 C THR A 153 0.054 3.154 13.143 1.00 1.00 C ATOM 2380 O THR A 153 -0.167 3.127 14.348 1.00 1.00 O ATOM 2381 CB THR A 153 2.256 1.975 13.286 1.00 1.00 C ATOM 2382 OG1 THR A 153 3.404 1.663 12.507 1.00 1.00 O ATOM 2383 CG2 THR A 153 1.375 0.725 13.418 1.00 1.00 C ATOM 0 H THR A 153 2.636 4.746 12.026 1.00 1.00 H new ATOM 0 HA THR A 153 1.442 2.908 11.537 1.00 1.00 H new ATOM 0 HB THR A 153 2.560 2.301 14.281 1.00 1.00 H new ATOM 0 HG1 THR A 153 3.907 0.941 12.940 1.00 1.00 H new ATOM 0 HG21 THR A 153 1.942 -0.070 13.901 1.00 1.00 H new ATOM 0 HG22 THR A 153 0.496 0.961 14.019 1.00 1.00 H new ATOM 0 HG23 THR A 153 1.060 0.396 12.428 1.00 1.00 H new ATOM 2391 N CYS A 154 -0.891 3.200 12.231 1.00 1.00 N ATOM 2392 CA CYS A 154 -2.299 3.244 12.597 1.00 1.00 C ATOM 2393 C CYS A 154 -2.580 4.421 13.530 1.00 1.00 C ATOM 2394 O CYS A 154 -1.866 4.649 14.504 1.00 1.00 O ATOM 2395 CB CYS A 154 -2.720 1.923 13.261 1.00 1.00 C ATOM 2396 SG CYS A 154 -2.493 2.008 15.062 1.00 1.00 S ATOM 0 H CYS A 154 -0.715 3.208 11.226 1.00 1.00 H new ATOM 0 HA CYS A 154 -2.885 3.381 11.688 1.00 1.00 H new ATOM 0 HB2 CYS A 154 -3.764 1.711 13.031 1.00 1.00 H new ATOM 0 HB3 CYS A 154 -2.131 1.102 12.854 1.00 1.00 H new ATOM 0 HG CYS A 154 -1.668 2.971 15.350 1.00 1.00 H new