USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 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 12 SER OG : rot -100:sc= 1.07 USER MOD Set 1.2: B 18 THR OG1 : rot 180:sc= 0.95 USER MOD Set 2.1: A 75 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.69) USER MOD Set 2.2: A 88 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set 3.1: A 45 HIS : no HE2:sc= -3.71! C(o=-6.6!,f=-17!) USER MOD Set 3.2: A 46 THR OG1 : rot 59:sc= 0.775 USER MOD Set 3.3: A 52 LYS NZ :NH3+ -118:sc= -3.67! (180deg=-0.635) USER MOD Set 4.1: A 19 SER OG : rot 80:sc=-0.00682 USER MOD Set 4.2: A 22 HIS :FLIP no HD1:sc= -0.729 F(o=-7,f=-5) USER MOD Set 4.3: A 26 CYS SG : rot 145:sc= -0.0111 USER MOD Set 4.4: A 31 CYS SG : rot 167:sc= -3.03! USER MOD Set 4.5: A 36 CYS SG : rot 160:sc= -1.21! USER MOD Single : A 8 SER OG : rot 140:sc= -0.303 USER MOD Single : A 14 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.5) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 25 GLN : amide:sc= -1.19 K(o=-1.2,f=-5.9!) USER MOD Single : A 28 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.7) USER MOD Single : A 30 ASN : amide:sc= -0.014 K(o=-0.014,f=-1.2!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00504 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.506 K(o=0.51,f=-1.3!) USER MOD Single : A 38 LYS NZ :NH3+ -119:sc= 0.832 (180deg=-7.16!) USER MOD Single : A 39 MET CE :methyl -148:sc= -0.127 (180deg=-1.07) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= -2.11! (180deg=-2.11!) USER MOD Single : A 44 GLN : amide:sc= -3.52! C(o=-3.5!,f=-3.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 87:sc= 0.324 USER MOD Single : A 54 ASN : amide:sc= -0.0794 K(o=-0.079,f=-0.66) USER MOD Single : A 57 CYS SG : rot -102:sc= -2.66 USER MOD Single : A 60 CYS SG : rot 80:sc= -5.7! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.633 K(o=-0.63,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 74 CYS SG : rot -74:sc= 0.0615 USER MOD Single : A 77 ASN : amide:sc= -0.662 K(o=-0.66,f=-3.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -18:sc= 0.154 USER MOD Single : A 84 CYS SG : rot -78:sc= -1.93! USER MOD Single : A 86 ASN : amide:sc= -0.582 X(o=-0.58,f=-1) USER MOD Single : A 89 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.37) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 92:sc= -0.0428! USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 20 SER OG : rot 180:sc= -0.14 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 -9.805 -6.563 15.210 1.00 0.00 N ATOM 56 CA PRO A 5 -8.710 -6.777 14.230 1.00 0.00 C ATOM 57 C PRO A 5 -9.214 -6.418 12.855 1.00 0.00 C ATOM 58 O PRO A 5 -8.491 -5.876 12.025 1.00 0.00 O ATOM 59 CB PRO A 5 -8.386 -8.270 14.365 1.00 0.00 C ATOM 60 CG PRO A 5 -8.800 -8.585 15.754 1.00 0.00 C ATOM 61 CD PRO A 5 -10.080 -7.784 15.970 1.00 0.00 C ATOM 0 HA PRO A 5 -7.823 -6.167 14.399 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.934 -8.868 13.637 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.326 -8.467 14.207 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.975 -9.653 15.882 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.030 -8.300 16.471 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.958 -8.309 15.595 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.259 -7.577 17.025 1.00 0.00 H new ATOM 69 N GLY A 6 -10.491 -6.693 12.651 1.00 0.00 N ATOM 70 CA GLY A 6 -11.130 -6.372 11.397 1.00 0.00 C ATOM 71 C GLY A 6 -11.017 -4.873 11.166 1.00 0.00 C ATOM 72 O GLY A 6 -10.864 -4.406 10.038 1.00 0.00 O ATOM 0 H GLY A 6 -11.100 -7.137 13.339 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.657 -6.918 10.581 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.177 -6.674 11.418 1.00 0.00 H new ATOM 76 N ASP A 7 -11.052 -4.129 12.267 1.00 0.00 N ATOM 77 CA ASP A 7 -10.920 -2.679 12.214 1.00 0.00 C ATOM 78 C ASP A 7 -9.445 -2.318 12.131 1.00 0.00 C ATOM 79 O ASP A 7 -9.070 -1.284 11.576 1.00 0.00 O ATOM 80 CB ASP A 7 -11.547 -2.039 13.453 1.00 0.00 C ATOM 81 CG ASP A 7 -11.663 -0.530 13.256 1.00 0.00 C ATOM 82 OD1 ASP A 7 -12.343 -0.124 12.326 1.00 0.00 O ATOM 83 OD2 ASP A 7 -11.071 0.197 14.036 1.00 0.00 O ATOM 0 H ASP A 7 -11.171 -4.507 13.207 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.441 -2.302 11.334 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.533 -2.468 13.635 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.939 -2.254 14.331 1.00 0.00 H new ATOM 88 N SER A 8 -8.613 -3.206 12.666 1.00 0.00 N ATOM 89 CA SER A 8 -7.174 -3.011 12.631 1.00 0.00 C ATOM 90 C SER A 8 -6.681 -3.241 11.214 1.00 0.00 C ATOM 91 O SER A 8 -5.768 -2.567 10.735 1.00 0.00 O ATOM 92 CB SER A 8 -6.476 -3.965 13.609 1.00 0.00 C ATOM 93 OG SER A 8 -5.174 -3.469 13.896 1.00 0.00 O ATOM 0 H SER A 8 -8.913 -4.065 13.127 1.00 0.00 H new ATOM 0 HA SER A 8 -6.937 -1.992 12.936 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.056 -4.052 14.528 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.411 -4.964 13.178 1.00 0.00 H new ATOM 0 HG SER A 8 -4.978 -3.596 14.848 1.00 0.00 H new ATOM 99 N ARG A 9 -7.325 -4.185 10.541 1.00 0.00 N ATOM 100 CA ARG A 9 -6.995 -4.497 9.167 1.00 0.00 C ATOM 101 C ARG A 9 -7.430 -3.347 8.280 1.00 0.00 C ATOM 102 O ARG A 9 -6.750 -2.976 7.323 1.00 0.00 O ATOM 103 CB ARG A 9 -7.662 -5.808 8.732 1.00 0.00 C ATOM 104 CG ARG A 9 -6.985 -6.987 9.432 1.00 0.00 C ATOM 105 CD ARG A 9 -7.661 -8.289 8.998 1.00 0.00 C ATOM 106 NE ARG A 9 -7.041 -9.429 9.665 1.00 0.00 N ATOM 107 CZ ARG A 9 -7.244 -10.669 9.232 1.00 0.00 C ATOM 108 NH1 ARG A 9 -7.997 -10.883 8.186 1.00 0.00 N ATOM 109 NH2 ARG A 9 -6.688 -11.675 9.850 1.00 0.00 N ATOM 0 H ARG A 9 -8.081 -4.747 10.931 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.917 -4.633 9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.723 -5.787 8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.588 -5.923 7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.925 -7.013 9.181 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.054 -6.871 10.514 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.724 -8.252 9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.582 -8.405 7.917 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.443 -9.272 10.476 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.430 -10.098 7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.152 -11.835 7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.098 -11.510 10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.844 -12.627 9.518 1.00 0.00 H new ATOM 123 N ARG A 10 -8.558 -2.764 8.646 1.00 0.00 N ATOM 124 CA ARG A 10 -9.086 -1.611 7.919 1.00 0.00 C ATOM 125 C ARG A 10 -8.216 -0.393 8.194 1.00 0.00 C ATOM 126 O ARG A 10 -7.981 0.441 7.321 1.00 0.00 O ATOM 127 CB ARG A 10 -10.542 -1.329 8.298 1.00 0.00 C ATOM 128 CG ARG A 10 -11.455 -2.421 7.713 1.00 0.00 C ATOM 129 CD ARG A 10 -11.521 -2.319 6.178 1.00 0.00 C ATOM 130 NE ARG A 10 -12.785 -2.865 5.698 1.00 0.00 N ATOM 131 CZ ARG A 10 -12.978 -4.178 5.621 1.00 0.00 C ATOM 132 NH1 ARG A 10 -12.028 -4.999 5.983 1.00 0.00 N ATOM 133 NH2 ARG A 10 -14.115 -4.648 5.186 1.00 0.00 N ATOM 0 H ARG A 10 -9.127 -3.064 9.437 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.065 -1.837 6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.645 -1.299 9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.842 -0.351 7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.082 -3.404 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.457 -2.325 8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.424 -1.278 5.870 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.688 -2.862 5.733 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.532 -2.230 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.140 -4.632 6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.175 -6.007 5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.857 -4.008 4.904 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.261 -5.656 5.128 1.00 0.00 H new ATOM 147 N LEU A 11 -7.720 -0.321 9.418 1.00 0.00 N ATOM 148 CA LEU A 11 -6.839 0.765 9.815 1.00 0.00 C ATOM 149 C LEU A 11 -5.453 0.500 9.248 1.00 0.00 C ATOM 150 O LEU A 11 -4.687 1.428 8.985 1.00 0.00 O ATOM 151 CB LEU A 11 -6.778 0.879 11.350 1.00 0.00 C ATOM 152 CG LEU A 11 -7.984 1.695 11.881 1.00 0.00 C ATOM 153 CD1 LEU A 11 -8.329 1.282 13.321 1.00 0.00 C ATOM 154 CD2 LEU A 11 -7.645 3.192 11.865 1.00 0.00 C ATOM 0 H LEU A 11 -7.912 -1.001 10.154 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.223 1.708 9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.780 -0.116 11.795 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.846 1.360 11.648 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.840 1.496 11.236 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.178 1.867 13.674 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.584 0.222 13.345 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.470 1.463 13.967 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.496 3.762 12.239 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.778 3.376 12.500 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.420 3.503 10.845 1.00 0.00 H new ATOM 166 N SER A 12 -5.141 -0.783 9.046 1.00 0.00 N ATOM 167 CA SER A 12 -3.850 -1.149 8.493 1.00 0.00 C ATOM 168 C SER A 12 -3.730 -0.599 7.084 1.00 0.00 C ATOM 169 O SER A 12 -2.722 0.017 6.730 1.00 0.00 O ATOM 170 CB SER A 12 -3.688 -2.669 8.471 1.00 0.00 C ATOM 171 OG SER A 12 -2.419 -2.999 7.922 1.00 0.00 O ATOM 0 H SER A 12 -5.758 -1.568 9.255 1.00 0.00 H new ATOM 0 HA SER A 12 -3.065 -0.726 9.119 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.775 -3.070 9.481 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.482 -3.122 7.878 1.00 0.00 H new ATOM 0 HG SER A 12 -2.527 -3.265 6.985 1.00 0.00 H new ATOM 177 N ILE A 13 -4.771 -0.810 6.275 1.00 0.00 N ATOM 178 CA ILE A 13 -4.744 -0.312 4.916 1.00 0.00 C ATOM 179 C ILE A 13 -4.891 1.211 4.885 1.00 0.00 C ATOM 180 O ILE A 13 -4.399 1.853 3.971 1.00 0.00 O ATOM 181 CB ILE A 13 -5.847 -0.948 4.064 1.00 0.00 C ATOM 182 CG1 ILE A 13 -7.217 -0.586 4.633 1.00 0.00 C ATOM 183 CG2 ILE A 13 -5.687 -2.470 4.037 1.00 0.00 C ATOM 184 CD1 ILE A 13 -8.315 -1.200 3.767 1.00 0.00 C ATOM 0 H ILE A 13 -5.620 -1.311 6.537 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.776 -0.586 4.496 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.766 -0.566 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.303 -0.949 5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.332 0.497 4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.478 -2.908 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.717 -2.726 3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.752 -2.861 5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.291 -0.939 4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.234 -0.816 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.205 -2.284 3.755 1.00 0.00 H new ATOM 196 N GLN A 14 -5.579 1.781 5.881 1.00 0.00 N ATOM 197 CA GLN A 14 -5.791 3.205 5.951 1.00 0.00 C ATOM 198 C GLN A 14 -4.448 3.927 6.021 1.00 0.00 C ATOM 199 O GLN A 14 -4.223 4.920 5.336 1.00 0.00 O ATOM 200 CB GLN A 14 -6.610 3.516 7.203 1.00 0.00 C ATOM 201 CG GLN A 14 -7.178 4.920 7.087 1.00 0.00 C ATOM 202 CD GLN A 14 -8.000 5.266 8.325 1.00 0.00 C ATOM 203 OE1 GLN A 14 -8.623 4.390 8.924 1.00 0.00 O ATOM 204 NE2 GLN A 14 -8.033 6.501 8.750 1.00 0.00 N ATOM 0 H GLN A 14 -5.997 1.259 6.651 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.325 3.544 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.417 2.792 7.315 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.984 3.435 8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.367 5.639 6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.802 4.994 6.196 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.516 7.226 8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.576 6.740 9.580 1.00 0.00 H new ATOM 213 N ARG A 15 -3.554 3.388 6.843 1.00 0.00 N ATOM 214 CA ARG A 15 -2.219 3.939 7.002 1.00 0.00 C ATOM 215 C ARG A 15 -1.405 3.683 5.747 1.00 0.00 C ATOM 216 O ARG A 15 -0.657 4.549 5.287 1.00 0.00 O ATOM 217 CB ARG A 15 -1.532 3.309 8.215 1.00 0.00 C ATOM 218 CG ARG A 15 -2.169 3.840 9.500 1.00 0.00 C ATOM 219 CD ARG A 15 -1.491 3.194 10.710 1.00 0.00 C ATOM 220 NE ARG A 15 -2.078 3.700 11.944 1.00 0.00 N ATOM 221 CZ ARG A 15 -1.688 4.862 12.462 1.00 0.00 C ATOM 222 NH1 ARG A 15 -0.776 5.571 11.856 1.00 0.00 N ATOM 223 NH2 ARG A 15 -2.218 5.293 13.573 1.00 0.00 N ATOM 0 H ARG A 15 -3.736 2.562 7.413 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.294 5.014 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.623 2.224 8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.467 3.540 8.203 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.067 4.924 9.548 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.237 3.620 9.507 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.602 2.111 10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.422 3.406 10.693 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.799 3.155 12.418 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.363 5.234 10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.476 6.462 12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.932 4.739 14.046 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.918 6.184 13.969 1.00 0.00 H new ATOM 237 N ALA A 16 -1.587 2.499 5.173 1.00 0.00 N ATOM 238 CA ALA A 16 -0.892 2.164 3.951 1.00 0.00 C ATOM 239 C ALA A 16 -1.449 3.038 2.854 1.00 0.00 C ATOM 240 O ALA A 16 -0.713 3.544 2.017 1.00 0.00 O ATOM 241 CB ALA A 16 -1.091 0.687 3.602 1.00 0.00 C ATOM 0 H ALA A 16 -2.202 1.769 5.533 1.00 0.00 H new ATOM 0 HA ALA A 16 0.178 2.332 4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.559 0.456 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.702 0.067 4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.154 0.485 3.469 1.00 0.00 H new ATOM 247 N ILE A 17 -2.763 3.228 2.906 1.00 0.00 N ATOM 248 CA ILE A 17 -3.459 4.065 1.952 1.00 0.00 C ATOM 249 C ILE A 17 -2.989 5.499 2.108 1.00 0.00 C ATOM 250 O ILE A 17 -2.661 6.158 1.133 1.00 0.00 O ATOM 251 CB ILE A 17 -4.968 3.959 2.228 1.00 0.00 C ATOM 252 CG1 ILE A 17 -5.514 2.605 1.660 1.00 0.00 C ATOM 253 CG2 ILE A 17 -5.749 5.173 1.651 1.00 0.00 C ATOM 254 CD1 ILE A 17 -6.369 2.817 0.401 1.00 0.00 C ATOM 0 H ILE A 17 -3.368 2.805 3.610 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.252 3.742 0.932 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.122 3.976 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.678 1.946 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.109 2.104 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.811 5.059 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.382 6.092 2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.602 5.221 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.728 1.854 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.220 3.454 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.766 3.294 -0.372 1.00 0.00 H new ATOM 266 N GLN A 18 -2.937 5.980 3.345 1.00 0.00 N ATOM 267 CA GLN A 18 -2.487 7.343 3.572 1.00 0.00 C ATOM 268 C GLN A 18 -1.145 7.566 2.889 1.00 0.00 C ATOM 269 O GLN A 18 -0.892 8.639 2.343 1.00 0.00 O ATOM 270 CB GLN A 18 -2.387 7.633 5.079 1.00 0.00 C ATOM 271 CG GLN A 18 -3.775 7.974 5.639 1.00 0.00 C ATOM 272 CD GLN A 18 -3.726 8.050 7.160 1.00 0.00 C ATOM 273 OE1 GLN A 18 -2.659 7.897 7.756 1.00 0.00 O ATOM 274 NE2 GLN A 18 -4.824 8.275 7.828 1.00 0.00 N ATOM 0 H GLN A 18 -3.194 5.461 4.184 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.215 8.032 3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.979 6.766 5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.701 8.462 5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.116 8.926 5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.496 7.218 5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.706 8.401 7.332 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.800 8.325 8.847 1.00 0.00 H new ATOM 283 N SER A 19 -0.295 6.541 2.879 1.00 0.00 N ATOM 284 CA SER A 19 1.003 6.659 2.215 1.00 0.00 C ATOM 285 C SER A 19 0.878 6.284 0.745 1.00 0.00 C ATOM 286 O SER A 19 1.458 6.935 -0.109 1.00 0.00 O ATOM 287 CB SER A 19 2.052 5.783 2.905 1.00 0.00 C ATOM 288 OG SER A 19 3.344 6.152 2.444 1.00 0.00 O ATOM 0 H SER A 19 -0.475 5.636 3.314 1.00 0.00 H new ATOM 0 HA SER A 19 1.331 7.696 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.990 5.904 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.863 4.731 2.691 1.00 0.00 H new ATOM 0 HG SER A 19 3.641 6.958 2.915 1.00 0.00 H new ATOM 294 N LEU A 20 0.113 5.251 0.435 1.00 0.00 N ATOM 295 CA LEU A 20 -0.049 4.882 -0.969 1.00 0.00 C ATOM 296 C LEU A 20 -0.745 6.018 -1.722 1.00 0.00 C ATOM 297 O LEU A 20 -0.268 6.464 -2.764 1.00 0.00 O ATOM 298 CB LEU A 20 -0.820 3.543 -1.062 1.00 0.00 C ATOM 299 CG LEU A 20 -1.743 3.441 -2.300 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.916 3.392 -3.591 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.578 2.163 -2.181 1.00 0.00 C ATOM 0 H LEU A 20 -0.390 4.669 1.105 1.00 0.00 H new ATOM 0 HA LEU A 20 0.922 4.732 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.103 2.722 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.420 3.416 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.389 4.318 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.585 3.320 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.316 4.298 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.259 2.523 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.235 2.076 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.916 1.298 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.179 2.204 -1.272 1.00 0.00 H new ATOM 313 N VAL A 21 -1.863 6.497 -1.176 1.00 0.00 N ATOM 314 CA VAL A 21 -2.590 7.592 -1.802 1.00 0.00 C ATOM 315 C VAL A 21 -1.732 8.867 -1.795 1.00 0.00 C ATOM 316 O VAL A 21 -1.805 9.668 -2.711 1.00 0.00 O ATOM 317 CB VAL A 21 -3.948 7.845 -1.098 1.00 0.00 C ATOM 318 CG1 VAL A 21 -4.466 9.271 -1.372 1.00 0.00 C ATOM 319 CG2 VAL A 21 -4.983 6.834 -1.606 1.00 0.00 C ATOM 0 H VAL A 21 -2.278 6.147 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.801 7.312 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.797 7.731 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.420 9.416 -0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.744 9.998 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.602 9.409 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.938 7.011 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.105 6.949 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.642 5.822 -1.385 1.00 0.00 H new ATOM 329 N HIS A 22 -0.948 9.089 -0.747 1.00 0.00 N ATOM 330 CA HIS A 22 -0.124 10.294 -0.690 1.00 0.00 C ATOM 331 C HIS A 22 1.184 10.123 -1.460 1.00 0.00 C ATOM 332 O HIS A 22 1.575 10.983 -2.242 1.00 0.00 O ATOM 333 CB HIS A 22 0.173 10.663 0.763 1.00 0.00 C ATOM 334 CG HIS A 22 0.847 12.006 0.806 1.00 0.00 C ATOM 335 ND1 HIS A 22 2.044 12.419 1.341 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 0.270 13.136 0.250 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 2.206 13.784 1.119 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 1.109 14.165 0.459 1.00 0.00 N flip ATOM 0 H HIS A 22 -0.864 8.468 0.058 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.687 11.099 -1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.751 10.688 1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.813 9.907 1.219 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.681 13.182 -0.259 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.040 14.402 1.417 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.930 15.121 0.151 1.00 0.00 H new ATOM 346 N ALA A 23 1.859 9.022 -1.202 1.00 0.00 N ATOM 347 CA ALA A 23 3.148 8.730 -1.834 1.00 0.00 C ATOM 348 C ALA A 23 3.046 8.417 -3.330 1.00 0.00 C ATOM 349 O ALA A 23 4.025 8.591 -4.057 1.00 0.00 O ATOM 350 CB ALA A 23 3.812 7.547 -1.129 1.00 0.00 C ATOM 0 H ALA A 23 1.540 8.302 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 23 3.744 9.637 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.770 7.333 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.972 7.792 -0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.167 6.671 -1.203 1.00 0.00 H new ATOM 356 N ALA A 24 1.891 7.939 -3.801 1.00 0.00 N ATOM 357 CA ALA A 24 1.755 7.602 -5.220 1.00 0.00 C ATOM 358 C ALA A 24 1.199 8.781 -5.984 1.00 0.00 C ATOM 359 O ALA A 24 1.038 8.734 -7.204 1.00 0.00 O ATOM 360 CB ALA A 24 0.828 6.404 -5.379 1.00 0.00 C ATOM 0 H ALA A 24 1.056 7.780 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 24 2.738 7.353 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.730 6.157 -6.436 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.243 5.550 -4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.153 6.646 -4.971 1.00 0.00 H new ATOM 366 N GLN A 25 0.870 9.827 -5.244 1.00 0.00 N ATOM 367 CA GLN A 25 0.289 11.017 -5.815 1.00 0.00 C ATOM 368 C GLN A 25 1.067 12.256 -5.409 1.00 0.00 C ATOM 369 O GLN A 25 1.027 13.274 -6.099 1.00 0.00 O ATOM 370 CB GLN A 25 -1.136 11.066 -5.311 1.00 0.00 C ATOM 371 CG GLN A 25 -1.796 9.688 -5.556 1.00 0.00 C ATOM 372 CD GLN A 25 -3.300 9.850 -5.747 1.00 0.00 C ATOM 373 OE1 GLN A 25 -3.743 10.544 -6.662 1.00 0.00 O ATOM 374 NE2 GLN A 25 -4.114 9.270 -4.914 1.00 0.00 N ATOM 0 H GLN A 25 1.000 9.869 -4.233 1.00 0.00 H new ATOM 0 HA GLN A 25 0.318 10.992 -6.904 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.153 11.310 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.693 11.849 -5.827 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.359 9.219 -6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.598 9.027 -4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.745 8.695 -4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.122 9.390 -5.018 1.00 0.00 H new ATOM 383 N CYS A 26 1.823 12.156 -4.322 1.00 0.00 N ATOM 384 CA CYS A 26 2.655 13.269 -3.886 1.00 0.00 C ATOM 385 C CYS A 26 4.083 12.981 -4.304 1.00 0.00 C ATOM 386 O CYS A 26 4.895 12.508 -3.511 1.00 0.00 O ATOM 387 CB CYS A 26 2.581 13.436 -2.365 1.00 0.00 C ATOM 388 SG CYS A 26 3.229 15.062 -1.907 1.00 0.00 S ATOM 0 H CYS A 26 1.877 11.325 -3.733 1.00 0.00 H new ATOM 0 HA CYS A 26 2.302 14.194 -4.343 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.550 13.335 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.156 12.651 -1.873 1.00 0.00 H new ATOM 0 HG CYS A 26 2.560 15.526 -0.894 1.00 0.00 H new ATOM 394 N ARG A 27 4.374 13.257 -5.569 1.00 0.00 N ATOM 395 CA ARG A 27 5.700 13.013 -6.110 1.00 0.00 C ATOM 396 C ARG A 27 6.596 14.206 -5.777 1.00 0.00 C ATOM 397 O ARG A 27 7.183 14.849 -6.642 1.00 0.00 O ATOM 398 CB ARG A 27 5.581 12.771 -7.631 1.00 0.00 C ATOM 399 CG ARG A 27 6.951 12.486 -8.290 1.00 0.00 C ATOM 400 CD ARG A 27 7.444 11.083 -7.921 1.00 0.00 C ATOM 401 NE ARG A 27 8.693 10.795 -8.608 1.00 0.00 N ATOM 402 CZ ARG A 27 9.424 9.737 -8.277 1.00 0.00 C ATOM 403 NH1 ARG A 27 9.007 8.924 -7.346 1.00 0.00 N ATOM 404 NH2 ARG A 27 10.556 9.512 -8.882 1.00 0.00 N ATOM 0 H ARG A 27 3.710 13.649 -6.236 1.00 0.00 H new ATOM 0 HA ARG A 27 6.153 12.125 -5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.912 11.930 -7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.129 13.644 -8.101 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.865 12.574 -9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.679 13.230 -7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.588 11.012 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.692 10.342 -8.192 1.00 0.00 H new ATOM 0 HE ARG A 27 9.012 11.414 -9.354 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.121 9.101 -6.873 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.567 8.111 -7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.881 10.149 -9.610 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.117 8.699 -8.628 1.00 0.00 H new ATOM 418 N ASN A 28 6.668 14.510 -4.490 1.00 0.00 N ATOM 419 CA ASN A 28 7.479 15.629 -4.031 1.00 0.00 C ATOM 420 C ASN A 28 8.963 15.303 -4.171 1.00 0.00 C ATOM 421 O ASN A 28 9.749 16.148 -4.598 1.00 0.00 O ATOM 422 CB ASN A 28 7.160 15.936 -2.569 1.00 0.00 C ATOM 423 CG ASN A 28 7.964 17.145 -2.110 1.00 0.00 C ATOM 424 OD1 ASN A 28 8.820 17.028 -1.233 1.00 0.00 O ATOM 425 ND2 ASN A 28 7.742 18.309 -2.658 1.00 0.00 N ATOM 0 H ASN A 28 6.180 14.004 -3.751 1.00 0.00 H new ATOM 0 HA ASN A 28 7.248 16.500 -4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.094 16.131 -2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.396 15.073 -1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.278 19.124 -2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.032 18.404 -3.384 1.00 0.00 H new ATOM 432 N ALA A 29 9.321 14.072 -3.780 1.00 0.00 N ATOM 433 CA ALA A 29 10.708 13.584 -3.817 1.00 0.00 C ATOM 434 C ALA A 29 11.367 13.750 -2.450 1.00 0.00 C ATOM 435 O ALA A 29 12.075 12.861 -1.978 1.00 0.00 O ATOM 436 CB ALA A 29 11.544 14.315 -4.879 1.00 0.00 C ATOM 0 H ALA A 29 8.655 13.384 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 29 10.670 12.527 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.562 13.924 -4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.101 14.158 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.563 15.382 -4.656 1.00 0.00 H new ATOM 442 N ASN A 30 11.129 14.899 -1.821 1.00 0.00 N ATOM 443 CA ASN A 30 11.702 15.187 -0.509 1.00 0.00 C ATOM 444 C ASN A 30 10.726 14.805 0.600 1.00 0.00 C ATOM 445 O ASN A 30 10.944 15.143 1.763 1.00 0.00 O ATOM 446 CB ASN A 30 12.024 16.678 -0.404 1.00 0.00 C ATOM 447 CG ASN A 30 13.129 17.043 -1.388 1.00 0.00 C ATOM 448 OD1 ASN A 30 13.962 16.203 -1.729 1.00 0.00 O ATOM 449 ND2 ASN A 30 13.186 18.254 -1.870 1.00 0.00 N ATOM 0 H ASN A 30 10.544 15.645 -2.198 1.00 0.00 H new ATOM 0 HA ASN A 30 12.614 14.601 -0.395 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.131 17.267 -0.613 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.336 16.921 0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.921 18.506 -2.530 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.495 18.949 -1.587 1.00 0.00 H new ATOM 456 N CYS A 31 9.644 14.113 0.224 1.00 0.00 N ATOM 457 CA CYS A 31 8.617 13.694 1.187 1.00 0.00 C ATOM 458 C CYS A 31 9.233 13.393 2.557 1.00 0.00 C ATOM 459 O CYS A 31 10.132 12.559 2.670 1.00 0.00 O ATOM 460 CB CYS A 31 7.895 12.453 0.657 1.00 0.00 C ATOM 461 SG CYS A 31 6.288 12.301 1.474 1.00 0.00 S ATOM 0 H CYS A 31 9.456 13.831 -0.738 1.00 0.00 H new ATOM 0 HA CYS A 31 7.905 14.510 1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.761 12.529 -0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.495 11.562 0.842 1.00 0.00 H new ATOM 0 HG CYS A 31 5.562 11.426 0.844 1.00 0.00 H new ATOM 467 N SER A 32 8.765 14.097 3.591 1.00 0.00 N ATOM 468 CA SER A 32 9.299 13.919 4.934 1.00 0.00 C ATOM 469 C SER A 32 8.595 12.806 5.688 1.00 0.00 C ATOM 470 O SER A 32 8.771 12.676 6.895 1.00 0.00 O ATOM 471 CB SER A 32 9.163 15.207 5.726 1.00 0.00 C ATOM 472 OG SER A 32 7.806 15.631 5.713 1.00 0.00 O ATOM 0 H SER A 32 8.021 14.791 3.520 1.00 0.00 H new ATOM 0 HA SER A 32 10.349 13.648 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.497 15.052 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.801 15.980 5.296 1.00 0.00 H new ATOM 0 HG SER A 32 7.718 16.462 6.226 1.00 0.00 H new ATOM 478 N LEU A 33 7.810 11.997 4.981 1.00 0.00 N ATOM 479 CA LEU A 33 7.113 10.884 5.609 1.00 0.00 C ATOM 480 C LEU A 33 7.871 9.592 5.295 1.00 0.00 C ATOM 481 O LEU A 33 7.786 9.087 4.180 1.00 0.00 O ATOM 482 CB LEU A 33 5.670 10.811 5.078 1.00 0.00 C ATOM 483 CG LEU A 33 4.838 12.014 5.632 1.00 0.00 C ATOM 484 CD1 LEU A 33 4.030 12.680 4.510 1.00 0.00 C ATOM 485 CD2 LEU A 33 3.858 11.534 6.717 1.00 0.00 C ATOM 0 H LEU A 33 7.643 12.092 3.979 1.00 0.00 H new ATOM 0 HA LEU A 33 7.073 11.024 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.673 10.831 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.210 9.870 5.379 1.00 0.00 H new ATOM 0 HG LEU A 33 5.540 12.733 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.459 13.514 4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.710 13.047 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.347 11.952 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.287 12.383 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.176 10.797 6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.416 11.081 7.537 1.00 0.00 H new ATOM 497 N PRO A 34 8.629 9.049 6.224 1.00 0.00 N ATOM 498 CA PRO A 34 9.405 7.813 5.958 1.00 0.00 C ATOM 499 C PRO A 34 8.553 6.775 5.238 1.00 0.00 C ATOM 500 O PRO A 34 9.055 5.991 4.431 1.00 0.00 O ATOM 501 CB PRO A 34 9.822 7.338 7.352 1.00 0.00 C ATOM 502 CG PRO A 34 9.916 8.589 8.161 1.00 0.00 C ATOM 503 CD PRO A 34 8.844 9.531 7.605 1.00 0.00 C ATOM 0 HA PRO A 34 10.261 7.980 5.305 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.090 6.648 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.776 6.812 7.323 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.746 8.384 9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.908 9.034 8.078 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.927 9.483 8.192 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.178 10.569 7.619 1.00 0.00 H new ATOM 511 N SER A 35 7.259 6.796 5.521 1.00 0.00 N ATOM 512 CA SER A 35 6.337 5.878 4.879 1.00 0.00 C ATOM 513 C SER A 35 6.273 6.159 3.385 1.00 0.00 C ATOM 514 O SER A 35 6.112 5.244 2.582 1.00 0.00 O ATOM 515 CB SER A 35 4.944 6.016 5.493 1.00 0.00 C ATOM 516 OG SER A 35 4.948 5.454 6.798 1.00 0.00 O ATOM 0 H SER A 35 6.828 7.436 6.188 1.00 0.00 H new ATOM 0 HA SER A 35 6.694 4.860 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.656 7.066 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.207 5.510 4.869 1.00 0.00 H new ATOM 0 HG SER A 35 4.056 5.543 7.195 1.00 0.00 H new ATOM 522 N CYS A 36 6.392 7.428 3.010 1.00 0.00 N ATOM 523 CA CYS A 36 6.340 7.778 1.597 1.00 0.00 C ATOM 524 C CYS A 36 7.582 7.279 0.865 1.00 0.00 C ATOM 525 O CYS A 36 7.481 6.581 -0.143 1.00 0.00 O ATOM 526 CB CYS A 36 6.208 9.294 1.435 1.00 0.00 C ATOM 527 SG CYS A 36 4.462 9.761 1.503 1.00 0.00 S ATOM 0 H CYS A 36 6.522 8.214 3.647 1.00 0.00 H new ATOM 0 HA CYS A 36 5.467 7.294 1.158 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.762 9.804 2.223 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.642 9.608 0.486 1.00 0.00 H new ATOM 0 HG CYS A 36 4.361 11.022 1.802 1.00 0.00 H new ATOM 533 N GLN A 37 8.749 7.649 1.371 1.00 0.00 N ATOM 534 CA GLN A 37 9.998 7.252 0.754 1.00 0.00 C ATOM 535 C GLN A 37 10.058 5.759 0.557 1.00 0.00 C ATOM 536 O GLN A 37 10.576 5.273 -0.448 1.00 0.00 O ATOM 537 CB GLN A 37 11.158 7.645 1.652 1.00 0.00 C ATOM 538 CG GLN A 37 11.187 9.167 1.807 1.00 0.00 C ATOM 539 CD GLN A 37 12.420 9.597 2.598 1.00 0.00 C ATOM 540 OE1 GLN A 37 13.266 8.768 2.930 1.00 0.00 O ATOM 541 NE2 GLN A 37 12.572 10.853 2.921 1.00 0.00 N ATOM 0 H GLN A 37 8.853 8.224 2.207 1.00 0.00 H new ATOM 0 HA GLN A 37 10.062 7.751 -0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.054 7.171 2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.098 7.294 1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.194 9.639 0.825 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.284 9.505 2.316 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.870 11.539 2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.393 11.148 3.449 1.00 0.00 H new ATOM 550 N LYS A 38 9.538 5.035 1.529 1.00 0.00 N ATOM 551 CA LYS A 38 9.543 3.599 1.465 1.00 0.00 C ATOM 552 C LYS A 38 8.459 3.135 0.498 1.00 0.00 C ATOM 553 O LYS A 38 8.611 2.110 -0.170 1.00 0.00 O ATOM 554 CB LYS A 38 9.411 3.023 2.906 1.00 0.00 C ATOM 555 CG LYS A 38 8.487 1.789 2.975 1.00 0.00 C ATOM 556 CD LYS A 38 7.052 2.272 3.159 1.00 0.00 C ATOM 557 CE LYS A 38 6.070 1.121 2.954 1.00 0.00 C ATOM 558 NZ LYS A 38 4.706 1.562 3.357 1.00 0.00 N ATOM 0 H LYS A 38 9.109 5.423 2.369 1.00 0.00 H new ATOM 0 HA LYS A 38 10.484 3.216 1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.400 2.752 3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.025 3.798 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.574 1.198 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.779 1.143 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.928 2.690 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.837 3.072 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.070 0.809 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.375 0.257 3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.365 0.966 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.739 2.554 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.059 1.474 2.547 1.00 0.00 H new ATOM 572 N MET A 39 7.370 3.903 0.402 1.00 0.00 N ATOM 573 CA MET A 39 6.303 3.546 -0.512 1.00 0.00 C ATOM 574 C MET A 39 6.717 3.876 -1.930 1.00 0.00 C ATOM 575 O MET A 39 6.364 3.169 -2.872 1.00 0.00 O ATOM 576 CB MET A 39 4.970 4.234 -0.156 1.00 0.00 C ATOM 577 CG MET A 39 4.148 3.415 0.869 1.00 0.00 C ATOM 578 SD MET A 39 3.881 1.704 0.312 1.00 0.00 S ATOM 579 CE MET A 39 2.994 2.078 -1.220 1.00 0.00 C ATOM 0 H MET A 39 7.213 4.757 0.937 1.00 0.00 H new ATOM 0 HA MET A 39 6.132 2.473 -0.423 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.171 5.225 0.250 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.382 4.375 -1.063 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.667 3.408 1.828 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.185 3.899 1.031 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.273 1.287 -1.425 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.470 3.028 -1.114 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.704 2.145 -2.044 1.00 0.00 H new ATOM 589 N LYS A 40 7.497 4.928 -2.093 1.00 0.00 N ATOM 590 CA LYS A 40 7.955 5.251 -3.418 1.00 0.00 C ATOM 591 C LYS A 40 8.855 4.136 -3.858 1.00 0.00 C ATOM 592 O LYS A 40 8.766 3.639 -4.964 1.00 0.00 O ATOM 593 CB LYS A 40 8.694 6.581 -3.460 1.00 0.00 C ATOM 594 CG LYS A 40 7.698 7.718 -3.214 1.00 0.00 C ATOM 595 CD LYS A 40 8.418 9.066 -3.269 1.00 0.00 C ATOM 596 CE LYS A 40 7.426 10.184 -2.945 1.00 0.00 C ATOM 597 NZ LYS A 40 8.128 11.498 -2.981 1.00 0.00 N ATOM 0 H LYS A 40 7.814 5.550 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 40 7.100 5.356 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.479 6.599 -2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.180 6.710 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.907 7.688 -3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.221 7.591 -2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.243 9.079 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.848 9.221 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.607 10.178 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.987 10.021 -1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.450 12.260 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.884 11.507 -2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.541 11.645 -3.924 1.00 0.00 H new ATOM 611 N ARG A 41 9.680 3.710 -2.936 1.00 0.00 N ATOM 612 CA ARG A 41 10.576 2.616 -3.175 1.00 0.00 C ATOM 613 C ARG A 41 9.773 1.442 -3.686 1.00 0.00 C ATOM 614 O ARG A 41 10.216 0.745 -4.566 1.00 0.00 O ATOM 615 CB ARG A 41 11.280 2.260 -1.862 1.00 0.00 C ATOM 616 CG ARG A 41 12.648 1.627 -2.148 1.00 0.00 C ATOM 617 CD ARG A 41 13.348 1.318 -0.826 1.00 0.00 C ATOM 618 NE ARG A 41 13.778 2.551 -0.178 1.00 0.00 N ATOM 619 CZ ARG A 41 14.924 3.139 -0.513 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.680 2.617 -1.442 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.296 4.237 0.086 1.00 0.00 N ATOM 0 H ARG A 41 9.747 4.113 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 41 11.329 2.882 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.406 3.156 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.664 1.568 -1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.524 0.713 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.257 2.305 -2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.672 0.771 -0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.209 0.674 -1.005 1.00 0.00 H new ATOM 0 HE ARG A 41 13.191 2.970 0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.392 1.758 -1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.558 3.068 -1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.708 4.646 0.812 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.175 4.686 -0.172 1.00 0.00 H new ATOM 635 N VAL A 42 8.584 1.269 -3.118 1.00 0.00 N ATOM 636 CA VAL A 42 7.670 0.193 -3.510 1.00 0.00 C ATOM 637 C VAL A 42 7.052 0.460 -4.892 1.00 0.00 C ATOM 638 O VAL A 42 7.037 -0.421 -5.751 1.00 0.00 O ATOM 639 CB VAL A 42 6.553 0.045 -2.449 1.00 0.00 C ATOM 640 CG1 VAL A 42 5.404 -0.814 -2.996 1.00 0.00 C ATOM 641 CG2 VAL A 42 7.143 -0.616 -1.198 1.00 0.00 C ATOM 0 H VAL A 42 8.224 1.867 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 42 8.240 -0.734 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 42 6.159 1.030 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.627 -0.908 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.988 -0.341 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.781 -1.804 -3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.365 -0.726 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.538 -1.598 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.947 0.005 -0.803 1.00 0.00 H new ATOM 651 N VAL A 43 6.544 1.673 -5.095 1.00 0.00 N ATOM 652 CA VAL A 43 5.929 2.028 -6.373 1.00 0.00 C ATOM 653 C VAL A 43 7.000 2.198 -7.443 1.00 0.00 C ATOM 654 O VAL A 43 6.933 1.593 -8.514 1.00 0.00 O ATOM 655 CB VAL A 43 5.124 3.321 -6.224 1.00 0.00 C ATOM 656 CG1 VAL A 43 4.514 3.701 -7.573 1.00 0.00 C ATOM 657 CG2 VAL A 43 4.003 3.106 -5.203 1.00 0.00 C ATOM 0 H VAL A 43 6.545 2.420 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 43 5.257 1.225 -6.676 1.00 0.00 H new ATOM 0 HB VAL A 43 5.781 4.121 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.941 4.622 -7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.310 3.851 -8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.856 2.901 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.428 4.026 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.347 2.306 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.435 2.833 -4.240 1.00 0.00 H new ATOM 667 N GLN A 44 7.998 3.011 -7.125 1.00 0.00 N ATOM 668 CA GLN A 44 9.103 3.257 -8.028 1.00 0.00 C ATOM 669 C GLN A 44 9.723 1.921 -8.446 1.00 0.00 C ATOM 670 O GLN A 44 10.171 1.770 -9.583 1.00 0.00 O ATOM 671 CB GLN A 44 10.147 4.157 -7.343 1.00 0.00 C ATOM 672 CG GLN A 44 9.533 5.525 -7.033 1.00 0.00 C ATOM 673 CD GLN A 44 9.229 6.270 -8.328 1.00 0.00 C ATOM 674 OE1 GLN A 44 10.128 6.510 -9.134 1.00 0.00 O ATOM 675 NE2 GLN A 44 8.006 6.648 -8.581 1.00 0.00 N ATOM 0 H GLN A 44 8.061 3.513 -6.239 1.00 0.00 H new ATOM 0 HA GLN A 44 8.744 3.770 -8.920 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.496 3.688 -6.423 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.016 4.277 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.618 5.399 -6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.219 6.110 -6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.262 6.449 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.794 7.143 -9.447 1.00 0.00 H new ATOM 684 N HIS A 45 9.721 0.937 -7.533 1.00 0.00 N ATOM 685 CA HIS A 45 10.264 -0.390 -7.857 1.00 0.00 C ATOM 686 C HIS A 45 9.212 -1.230 -8.560 1.00 0.00 C ATOM 687 O HIS A 45 9.524 -1.978 -9.487 1.00 0.00 O ATOM 688 CB HIS A 45 10.724 -1.111 -6.573 1.00 0.00 C ATOM 689 CG HIS A 45 10.607 -2.602 -6.707 1.00 0.00 C ATOM 690 ND1 HIS A 45 11.236 -3.318 -7.706 1.00 0.00 N ATOM 691 CD2 HIS A 45 9.873 -3.512 -5.989 1.00 0.00 C ATOM 692 CE1 HIS A 45 10.867 -4.603 -7.566 1.00 0.00 C ATOM 693 NE2 HIS A 45 10.038 -4.774 -6.536 1.00 0.00 N ATOM 0 H HIS A 45 9.358 1.031 -6.585 1.00 0.00 H new ATOM 0 HA HIS A 45 11.120 -0.258 -8.518 1.00 0.00 H new ATOM 0 HB2 HIS A 45 11.758 -0.844 -6.355 1.00 0.00 H new ATOM 0 HB3 HIS A 45 10.123 -0.772 -5.729 1.00 0.00 H new ATOM 0 HD1 HIS A 45 11.863 -2.942 -8.417 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.261 -3.280 -5.130 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.202 -5.402 -8.211 1.00 0.00 H new ATOM 701 N THR A 46 7.980 -1.144 -8.092 1.00 0.00 N ATOM 702 CA THR A 46 6.934 -1.956 -8.677 1.00 0.00 C ATOM 703 C THR A 46 6.919 -1.830 -10.182 1.00 0.00 C ATOM 704 O THR A 46 6.771 -2.826 -10.889 1.00 0.00 O ATOM 705 CB THR A 46 5.567 -1.581 -8.090 1.00 0.00 C ATOM 706 OG1 THR A 46 5.527 -1.947 -6.717 1.00 0.00 O ATOM 707 CG2 THR A 46 4.447 -2.302 -8.847 1.00 0.00 C ATOM 0 H THR A 46 7.686 -0.536 -7.328 1.00 0.00 H new ATOM 0 HA THR A 46 7.143 -2.997 -8.431 1.00 0.00 H new ATOM 0 HB THR A 46 5.421 -0.505 -8.189 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.242 -1.482 -6.234 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.483 -2.026 -8.420 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.474 -2.014 -9.898 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.586 -3.380 -8.763 1.00 0.00 H new ATOM 715 N LYS A 47 7.070 -0.620 -10.676 1.00 0.00 N ATOM 716 CA LYS A 47 7.067 -0.419 -12.113 1.00 0.00 C ATOM 717 C LYS A 47 8.411 -0.802 -12.728 1.00 0.00 C ATOM 718 O LYS A 47 8.465 -1.268 -13.867 1.00 0.00 O ATOM 719 CB LYS A 47 6.746 1.033 -12.451 1.00 0.00 C ATOM 720 CG LYS A 47 5.353 1.383 -11.930 1.00 0.00 C ATOM 721 CD LYS A 47 4.866 2.666 -12.599 1.00 0.00 C ATOM 722 CE LYS A 47 5.748 3.843 -12.180 1.00 0.00 C ATOM 723 NZ LYS A 47 5.089 5.122 -12.574 1.00 0.00 N ATOM 0 H LYS A 47 7.194 0.225 -10.119 1.00 0.00 H new ATOM 0 HA LYS A 47 6.296 -1.065 -12.533 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.489 1.694 -12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.791 1.185 -13.529 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.660 0.567 -12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.380 1.512 -10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.889 2.552 -13.683 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.830 2.860 -12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.912 3.823 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.727 3.765 -12.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.688 5.923 -12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.954 5.140 -13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.165 5.196 -12.102 1.00 0.00 H new ATOM 737 N GLY A 48 9.497 -0.599 -11.981 1.00 0.00 N ATOM 738 CA GLY A 48 10.817 -0.928 -12.491 1.00 0.00 C ATOM 739 C GLY A 48 10.811 -2.303 -13.138 1.00 0.00 C ATOM 740 O GLY A 48 11.609 -2.583 -14.031 1.00 0.00 O ATOM 0 H GLY A 48 9.485 -0.214 -11.036 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.129 -0.179 -13.219 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.543 -0.905 -11.678 1.00 0.00 H new ATOM 744 N CYS A 49 9.891 -3.160 -12.689 1.00 0.00 N ATOM 745 CA CYS A 49 9.773 -4.518 -13.246 1.00 0.00 C ATOM 746 C CYS A 49 8.447 -4.674 -14.001 1.00 0.00 C ATOM 747 O CYS A 49 7.398 -4.249 -13.518 1.00 0.00 O ATOM 748 CB CYS A 49 9.883 -5.549 -12.112 1.00 0.00 C ATOM 749 SG CYS A 49 11.621 -5.990 -11.859 1.00 0.00 S ATOM 0 H CYS A 49 9.222 -2.945 -11.950 1.00 0.00 H new ATOM 0 HA CYS A 49 10.583 -4.688 -13.955 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.464 -5.140 -11.193 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.304 -6.439 -12.358 1.00 0.00 H new ATOM 0 HG CYS A 49 11.712 -6.861 -10.898 1.00 0.00 H new ATOM 755 N LYS A 50 8.501 -5.285 -15.190 1.00 0.00 N ATOM 756 CA LYS A 50 7.300 -5.491 -16.001 1.00 0.00 C ATOM 757 C LYS A 50 6.575 -6.766 -15.580 1.00 0.00 C ATOM 758 O LYS A 50 5.347 -6.834 -15.625 1.00 0.00 O ATOM 759 CB LYS A 50 7.678 -5.560 -17.486 1.00 0.00 C ATOM 760 CG LYS A 50 8.339 -4.243 -17.928 1.00 0.00 C ATOM 761 CD LYS A 50 7.317 -3.099 -17.924 1.00 0.00 C ATOM 762 CE LYS A 50 7.874 -1.908 -18.706 1.00 0.00 C ATOM 763 NZ LYS A 50 6.873 -0.805 -18.696 1.00 0.00 N ATOM 0 H LYS A 50 9.359 -5.643 -15.609 1.00 0.00 H new ATOM 0 HA LYS A 50 6.626 -4.649 -15.844 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.360 -6.393 -17.657 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.788 -5.748 -18.087 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.165 -4.002 -17.259 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.760 -4.358 -18.927 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.380 -3.433 -18.370 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.094 -2.801 -16.899 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.810 -1.570 -18.260 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.098 -2.203 -19.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.247 0.008 -19.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.991 -1.132 -19.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.681 -0.519 -17.715 1.00 0.00 H new ATOM 777 N ARG A 51 7.336 -7.761 -15.150 1.00 0.00 N ATOM 778 CA ARG A 51 6.751 -9.012 -14.695 1.00 0.00 C ATOM 779 C ARG A 51 5.995 -8.773 -13.404 1.00 0.00 C ATOM 780 O ARG A 51 4.915 -9.323 -13.184 1.00 0.00 O ATOM 781 CB ARG A 51 7.852 -10.060 -14.475 1.00 0.00 C ATOM 782 CG ARG A 51 7.281 -11.318 -13.762 1.00 0.00 C ATOM 783 CD ARG A 51 7.616 -11.286 -12.259 1.00 0.00 C ATOM 784 NE ARG A 51 9.062 -11.227 -12.068 1.00 0.00 N ATOM 785 CZ ARG A 51 9.812 -12.324 -12.119 1.00 0.00 C ATOM 786 NH1 ARG A 51 9.260 -13.483 -12.357 1.00 0.00 N ATOM 787 NH2 ARG A 51 11.102 -12.241 -11.934 1.00 0.00 N ATOM 0 H ARG A 51 8.355 -7.727 -15.107 1.00 0.00 H new ATOM 0 HA ARG A 51 6.062 -9.385 -15.453 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.286 -10.345 -15.433 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.655 -9.630 -13.877 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.200 -11.362 -13.899 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.696 -12.219 -14.214 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.144 -10.422 -11.792 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.213 -12.173 -11.770 1.00 0.00 H new ATOM 0 HE ARG A 51 9.506 -10.326 -11.892 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.253 -13.548 -12.504 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.836 -14.324 -12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.534 -11.335 -11.751 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.678 -13.082 -11.973 1.00 0.00 H new ATOM 801 N LYS A 52 6.581 -7.944 -12.554 1.00 0.00 N ATOM 802 CA LYS A 52 5.991 -7.619 -11.285 1.00 0.00 C ATOM 803 C LYS A 52 4.744 -6.772 -11.471 1.00 0.00 C ATOM 804 O LYS A 52 3.723 -7.006 -10.829 1.00 0.00 O ATOM 805 CB LYS A 52 7.019 -6.877 -10.422 1.00 0.00 C ATOM 806 CG LYS A 52 6.318 -6.249 -9.227 1.00 0.00 C ATOM 807 CD LYS A 52 7.333 -5.827 -8.171 1.00 0.00 C ATOM 808 CE LYS A 52 6.572 -5.247 -6.975 1.00 0.00 C ATOM 809 NZ LYS A 52 7.536 -4.846 -5.910 1.00 0.00 N ATOM 0 H LYS A 52 7.474 -7.485 -12.732 1.00 0.00 H new ATOM 0 HA LYS A 52 5.697 -8.541 -10.784 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.791 -7.567 -10.083 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.517 -6.107 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.741 -5.383 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.612 -6.960 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.934 -6.681 -7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.020 -5.086 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.984 -4.385 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.871 -5.985 -6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.355 -5.403 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.508 -5.021 -6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.419 -3.834 -5.699 1.00 0.00 H new ATOM 823 N THR A 53 4.854 -5.773 -12.325 1.00 0.00 N ATOM 824 CA THR A 53 3.748 -4.873 -12.566 1.00 0.00 C ATOM 825 C THR A 53 2.470 -5.656 -12.832 1.00 0.00 C ATOM 826 O THR A 53 1.383 -5.250 -12.419 1.00 0.00 O ATOM 827 CB THR A 53 4.082 -3.938 -13.754 1.00 0.00 C ATOM 828 OG1 THR A 53 4.854 -2.842 -13.283 1.00 0.00 O ATOM 829 CG2 THR A 53 2.806 -3.408 -14.437 1.00 0.00 C ATOM 0 H THR A 53 5.697 -5.566 -12.861 1.00 0.00 H new ATOM 0 HA THR A 53 3.587 -4.263 -11.678 1.00 0.00 H new ATOM 0 HB THR A 53 4.644 -4.512 -14.490 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.803 -3.085 -13.286 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.081 -2.756 -15.266 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.220 -4.246 -14.814 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.213 -2.847 -13.715 1.00 0.00 H new ATOM 837 N ASN A 54 2.604 -6.767 -13.534 1.00 0.00 N ATOM 838 CA ASN A 54 1.446 -7.584 -13.860 1.00 0.00 C ATOM 839 C ASN A 54 0.886 -8.262 -12.614 1.00 0.00 C ATOM 840 O ASN A 54 -0.081 -9.019 -12.698 1.00 0.00 O ATOM 841 CB ASN A 54 1.839 -8.652 -14.880 1.00 0.00 C ATOM 842 CG ASN A 54 2.291 -7.992 -16.177 1.00 0.00 C ATOM 843 OD1 ASN A 54 1.693 -7.011 -16.618 1.00 0.00 O ATOM 844 ND2 ASN A 54 3.323 -8.473 -16.815 1.00 0.00 N ATOM 0 H ASN A 54 3.493 -7.123 -13.887 1.00 0.00 H new ATOM 0 HA ASN A 54 0.678 -6.933 -14.278 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.641 -9.272 -14.479 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.993 -9.311 -15.073 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.636 -8.036 -17.682 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.817 -9.286 -16.447 1.00 0.00 H new ATOM 851 N GLY A 55 1.502 -8.007 -11.455 1.00 0.00 N ATOM 852 CA GLY A 55 1.053 -8.628 -10.212 1.00 0.00 C ATOM 853 C GLY A 55 2.007 -9.744 -9.819 1.00 0.00 C ATOM 854 O GLY A 55 1.802 -10.436 -8.824 1.00 0.00 O ATOM 0 H GLY A 55 2.302 -7.383 -11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.005 -7.882 -9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.046 -9.025 -10.337 1.00 0.00 H new ATOM 858 N GLY A 56 3.048 -9.925 -10.629 1.00 0.00 N ATOM 859 CA GLY A 56 4.028 -10.964 -10.381 1.00 0.00 C ATOM 860 C GLY A 56 4.337 -11.095 -8.899 1.00 0.00 C ATOM 861 O GLY A 56 4.214 -12.185 -8.336 1.00 0.00 O ATOM 0 H GLY A 56 3.229 -9.363 -11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.656 -11.915 -10.762 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.944 -10.739 -10.926 1.00 0.00 H new ATOM 865 N CYS A 57 4.773 -10.000 -8.260 1.00 0.00 N ATOM 866 CA CYS A 57 5.120 -10.058 -6.867 1.00 0.00 C ATOM 867 C CYS A 57 3.898 -9.820 -5.967 1.00 0.00 C ATOM 868 O CYS A 57 2.973 -9.104 -6.356 1.00 0.00 O ATOM 869 CB CYS A 57 6.193 -8.995 -6.586 1.00 0.00 C ATOM 870 SG CYS A 57 7.533 -9.726 -5.611 1.00 0.00 S ATOM 0 H CYS A 57 4.887 -9.084 -8.694 1.00 0.00 H new ATOM 0 HA CYS A 57 5.500 -11.054 -6.642 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.585 -8.603 -7.524 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.755 -8.155 -6.048 1.00 0.00 H new ATOM 0 HG CYS A 57 7.405 -9.375 -4.366 1.00 0.00 H new ATOM 876 N PRO A 58 3.893 -10.353 -4.766 1.00 0.00 N ATOM 877 CA PRO A 58 2.776 -10.125 -3.804 1.00 0.00 C ATOM 878 C PRO A 58 2.563 -8.631 -3.572 1.00 0.00 C ATOM 879 O PRO A 58 1.446 -8.182 -3.312 1.00 0.00 O ATOM 880 CB PRO A 58 3.245 -10.823 -2.516 1.00 0.00 C ATOM 881 CG PRO A 58 4.227 -11.843 -2.975 1.00 0.00 C ATOM 882 CD PRO A 58 4.925 -11.235 -4.182 1.00 0.00 C ATOM 0 HA PRO A 58 1.823 -10.513 -4.163 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.703 -10.114 -1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.410 -11.286 -1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.943 -12.079 -2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.727 -12.775 -3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.815 -10.676 -3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.246 -12.001 -4.888 1.00 0.00 H new ATOM 890 N ILE A 59 3.645 -7.864 -3.690 1.00 0.00 N ATOM 891 CA ILE A 59 3.567 -6.427 -3.516 1.00 0.00 C ATOM 892 C ILE A 59 2.720 -5.834 -4.618 1.00 0.00 C ATOM 893 O ILE A 59 1.879 -4.985 -4.364 1.00 0.00 O ATOM 894 CB ILE A 59 4.972 -5.797 -3.545 1.00 0.00 C ATOM 895 CG1 ILE A 59 5.737 -6.168 -2.277 1.00 0.00 C ATOM 896 CG2 ILE A 59 4.899 -4.266 -3.668 1.00 0.00 C ATOM 897 CD1 ILE A 59 7.169 -5.642 -2.403 1.00 0.00 C ATOM 0 H ILE A 59 4.578 -8.217 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 59 3.114 -6.215 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 59 5.493 -6.187 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.251 -5.737 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.741 -7.249 -2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.908 -3.854 -3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.382 -3.999 -4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.355 -3.858 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.731 -5.898 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.648 -6.094 -3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.150 -4.559 -2.522 1.00 0.00 H new ATOM 909 N CYS A 60 2.942 -6.278 -5.848 1.00 0.00 N ATOM 910 CA CYS A 60 2.188 -5.758 -6.953 1.00 0.00 C ATOM 911 C CYS A 60 0.804 -6.364 -6.959 1.00 0.00 C ATOM 912 O CYS A 60 -0.187 -5.686 -7.200 1.00 0.00 O ATOM 913 CB CYS A 60 2.921 -6.064 -8.248 1.00 0.00 C ATOM 914 SG CYS A 60 2.082 -5.249 -9.633 1.00 0.00 S ATOM 0 H CYS A 60 3.632 -6.989 -6.092 1.00 0.00 H new ATOM 0 HA CYS A 60 2.085 -4.677 -6.856 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.953 -5.720 -8.183 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.953 -7.141 -8.413 1.00 0.00 H new ATOM 0 HG CYS A 60 2.424 -3.995 -9.671 1.00 0.00 H new ATOM 920 N LYS A 61 0.747 -7.647 -6.676 1.00 0.00 N ATOM 921 CA LYS A 61 -0.527 -8.340 -6.640 1.00 0.00 C ATOM 922 C LYS A 61 -1.407 -7.739 -5.536 1.00 0.00 C ATOM 923 O LYS A 61 -2.578 -7.408 -5.756 1.00 0.00 O ATOM 924 CB LYS A 61 -0.267 -9.827 -6.371 1.00 0.00 C ATOM 925 CG LYS A 61 -1.378 -10.680 -6.987 1.00 0.00 C ATOM 926 CD LYS A 61 -1.253 -12.118 -6.487 1.00 0.00 C ATOM 927 CE LYS A 61 0.058 -12.739 -6.985 1.00 0.00 C ATOM 928 NZ LYS A 61 0.013 -14.218 -6.798 1.00 0.00 N ATOM 0 H LYS A 61 1.559 -8.229 -6.469 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.046 -8.230 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.697 -10.116 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.215 -10.006 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.354 -10.274 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.310 -10.655 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.282 -12.136 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.100 -12.708 -6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.209 -12.500 -8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.902 -12.319 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.902 -14.638 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.112 -14.437 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.783 -14.612 -7.339 1.00 0.00 H new ATOM 942 N GLN A 62 -0.818 -7.590 -4.352 1.00 0.00 N ATOM 943 CA GLN A 62 -1.530 -7.025 -3.208 1.00 0.00 C ATOM 944 C GLN A 62 -1.823 -5.539 -3.420 1.00 0.00 C ATOM 945 O GLN A 62 -2.916 -5.067 -3.107 1.00 0.00 O ATOM 946 CB GLN A 62 -0.699 -7.205 -1.932 1.00 0.00 C ATOM 947 CG GLN A 62 -1.507 -6.733 -0.718 1.00 0.00 C ATOM 948 CD GLN A 62 -0.697 -6.937 0.559 1.00 0.00 C ATOM 949 OE1 GLN A 62 0.218 -7.761 0.590 1.00 0.00 O ATOM 950 NE2 GLN A 62 -0.976 -6.227 1.619 1.00 0.00 N ATOM 0 H GLN A 62 0.149 -7.852 -4.160 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.478 -7.554 -3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.422 -8.252 -1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.228 -6.637 -2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.766 -5.680 -0.830 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.444 -7.287 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.734 -5.545 1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.436 -6.354 2.475 1.00 0.00 H new ATOM 959 N LEU A 63 -0.838 -4.802 -3.936 1.00 0.00 N ATOM 960 CA LEU A 63 -1.014 -3.367 -4.163 1.00 0.00 C ATOM 961 C LEU A 63 -2.120 -3.127 -5.183 1.00 0.00 C ATOM 962 O LEU A 63 -2.956 -2.240 -5.006 1.00 0.00 O ATOM 963 CB LEU A 63 0.300 -2.730 -4.631 1.00 0.00 C ATOM 964 CG LEU A 63 0.148 -1.210 -4.763 1.00 0.00 C ATOM 965 CD1 LEU A 63 -0.089 -0.566 -3.380 1.00 0.00 C ATOM 966 CD2 LEU A 63 1.430 -0.642 -5.381 1.00 0.00 C ATOM 0 H LEU A 63 0.076 -5.168 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.303 -2.899 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.095 -2.961 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.595 -3.156 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.710 -0.987 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.194 0.513 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.998 -0.975 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.758 -0.781 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.337 0.439 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.278 -0.875 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.587 -1.086 -6.364 1.00 0.00 H new ATOM 978 N ILE A 64 -2.140 -3.935 -6.238 1.00 0.00 N ATOM 979 CA ILE A 64 -3.172 -3.803 -7.253 1.00 0.00 C ATOM 980 C ILE A 64 -4.543 -3.999 -6.604 1.00 0.00 C ATOM 981 O ILE A 64 -5.495 -3.283 -6.912 1.00 0.00 O ATOM 982 CB ILE A 64 -2.938 -4.830 -8.375 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.757 -4.370 -9.236 1.00 0.00 C ATOM 984 CG2 ILE A 64 -4.185 -4.955 -9.256 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.295 -5.516 -10.139 1.00 0.00 C ATOM 0 H ILE A 64 -1.462 -4.678 -6.409 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.133 -2.807 -7.695 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.724 -5.801 -7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.050 -3.513 -9.842 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.936 -4.044 -8.598 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.002 -5.685 -10.044 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.029 -5.281 -8.648 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.413 -3.988 -9.704 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.455 -5.183 -10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.985 -6.361 -9.524 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.116 -5.821 -10.788 1.00 0.00 H new ATOM 997 N ALA A 65 -4.633 -4.965 -5.699 1.00 0.00 N ATOM 998 CA ALA A 65 -5.888 -5.227 -5.005 1.00 0.00 C ATOM 999 C ALA A 65 -6.241 -4.060 -4.085 1.00 0.00 C ATOM 1000 O ALA A 65 -7.370 -3.567 -4.096 1.00 0.00 O ATOM 1001 CB ALA A 65 -5.776 -6.513 -4.184 1.00 0.00 C ATOM 0 H ALA A 65 -3.861 -5.575 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.676 -5.343 -5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.719 -6.700 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.552 -7.349 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.977 -6.408 -3.450 1.00 0.00 H new ATOM 1007 N LEU A 66 -5.264 -3.598 -3.311 1.00 0.00 N ATOM 1008 CA LEU A 66 -5.496 -2.467 -2.423 1.00 0.00 C ATOM 1009 C LEU A 66 -5.920 -1.286 -3.274 1.00 0.00 C ATOM 1010 O LEU A 66 -6.852 -0.548 -2.943 1.00 0.00 O ATOM 1011 CB LEU A 66 -4.217 -2.138 -1.636 1.00 0.00 C ATOM 1012 CG LEU A 66 -4.385 -0.829 -0.852 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -5.620 -0.906 0.051 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -3.141 -0.606 0.013 1.00 0.00 C ATOM 0 H LEU A 66 -4.320 -3.982 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.277 -2.704 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.987 -2.952 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.374 -2.052 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.511 -0.004 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.727 0.029 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.508 -1.071 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.505 -1.730 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.250 0.322 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.026 -1.439 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.260 -0.542 -0.626 1.00 0.00 H new ATOM 1026 N ALA A 67 -5.242 -1.149 -4.403 1.00 0.00 N ATOM 1027 CA ALA A 67 -5.547 -0.102 -5.351 1.00 0.00 C ATOM 1028 C ALA A 67 -6.963 -0.294 -5.870 1.00 0.00 C ATOM 1029 O ALA A 67 -7.660 0.671 -6.171 1.00 0.00 O ATOM 1030 CB ALA A 67 -4.566 -0.162 -6.518 1.00 0.00 C ATOM 0 H ALA A 67 -4.472 -1.757 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.463 0.868 -4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.799 0.629 -7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.550 -0.028 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.647 -1.130 -7.012 1.00 0.00 H new ATOM 1036 N ALA A 68 -7.384 -1.554 -5.977 1.00 0.00 N ATOM 1037 CA ALA A 68 -8.729 -1.845 -6.466 1.00 0.00 C ATOM 1038 C ALA A 68 -9.770 -1.179 -5.575 1.00 0.00 C ATOM 1039 O ALA A 68 -10.685 -0.515 -6.063 1.00 0.00 O ATOM 1040 CB ALA A 68 -8.972 -3.357 -6.507 1.00 0.00 C ATOM 0 H ALA A 68 -6.826 -2.373 -5.737 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.819 -1.448 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.979 -3.554 -6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.246 -3.824 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.864 -3.770 -5.504 1.00 0.00 H new ATOM 1046 N TYR A 69 -9.624 -1.352 -4.265 1.00 0.00 N ATOM 1047 CA TYR A 69 -10.562 -0.750 -3.325 1.00 0.00 C ATOM 1048 C TYR A 69 -10.535 0.777 -3.433 1.00 0.00 C ATOM 1049 O TYR A 69 -11.586 1.424 -3.454 1.00 0.00 O ATOM 1050 CB TYR A 69 -10.221 -1.173 -1.894 1.00 0.00 C ATOM 1051 CG TYR A 69 -10.557 -2.635 -1.708 1.00 0.00 C ATOM 1052 CD1 TYR A 69 -11.868 -3.019 -1.398 1.00 0.00 C ATOM 1053 CD2 TYR A 69 -9.558 -3.607 -1.847 1.00 0.00 C ATOM 1054 CE1 TYR A 69 -12.180 -4.373 -1.226 1.00 0.00 C ATOM 1055 CE2 TYR A 69 -9.871 -4.962 -1.675 1.00 0.00 C ATOM 1056 CZ TYR A 69 -11.181 -5.344 -1.366 1.00 0.00 C ATOM 1057 OH TYR A 69 -11.490 -6.678 -1.197 1.00 0.00 O ATOM 0 H TYR A 69 -8.876 -1.896 -3.835 1.00 0.00 H new ATOM 0 HA TYR A 69 -11.564 -1.099 -3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.163 -1.004 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.780 -0.567 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.639 -2.270 -1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.547 -3.312 -2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.191 -4.668 -0.985 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.101 -5.712 -1.781 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.684 -7.220 -1.330 1.00 0.00 H new ATOM 1067 N HIS A 70 -9.334 1.354 -3.501 1.00 0.00 N ATOM 1068 CA HIS A 70 -9.211 2.810 -3.605 1.00 0.00 C ATOM 1069 C HIS A 70 -9.711 3.322 -4.955 1.00 0.00 C ATOM 1070 O HIS A 70 -10.490 4.274 -5.019 1.00 0.00 O ATOM 1071 CB HIS A 70 -7.756 3.233 -3.408 1.00 0.00 C ATOM 1072 CG HIS A 70 -7.655 4.728 -3.542 1.00 0.00 C ATOM 1073 ND1 HIS A 70 -8.487 5.591 -2.846 1.00 0.00 N ATOM 1074 CD2 HIS A 70 -6.834 5.527 -4.297 1.00 0.00 C ATOM 1075 CE1 HIS A 70 -8.154 6.846 -3.198 1.00 0.00 C ATOM 1076 NE2 HIS A 70 -7.151 6.865 -4.080 1.00 0.00 N ATOM 0 H HIS A 70 -8.448 0.848 -3.486 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.831 3.247 -2.822 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.403 2.919 -2.426 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.119 2.746 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.059 5.172 -4.960 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.639 7.731 -2.814 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.712 7.683 -4.503 1.00 0.00 H new ATOM 1084 N ALA A 71 -9.256 2.690 -6.029 1.00 0.00 N ATOM 1085 CA ALA A 71 -9.660 3.099 -7.372 1.00 0.00 C ATOM 1086 C ALA A 71 -11.173 3.001 -7.525 1.00 0.00 C ATOM 1087 O ALA A 71 -11.765 3.664 -8.379 1.00 0.00 O ATOM 1088 CB ALA A 71 -8.974 2.228 -8.426 1.00 0.00 C ATOM 0 H ALA A 71 -8.613 1.899 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.356 4.135 -7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.286 2.546 -9.421 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.893 2.331 -8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.254 1.185 -8.274 1.00 0.00 H new ATOM 1094 N LYS A 72 -11.798 2.187 -6.680 1.00 0.00 N ATOM 1095 CA LYS A 72 -13.247 2.033 -6.716 1.00 0.00 C ATOM 1096 C LYS A 72 -13.911 3.238 -6.057 1.00 0.00 C ATOM 1097 O LYS A 72 -14.745 3.903 -6.668 1.00 0.00 O ATOM 1098 CB LYS A 72 -13.660 0.737 -5.997 1.00 0.00 C ATOM 1099 CG LYS A 72 -13.566 -0.454 -6.968 1.00 0.00 C ATOM 1100 CD LYS A 72 -13.759 -1.785 -6.221 1.00 0.00 C ATOM 1101 CE LYS A 72 -13.608 -2.941 -7.209 1.00 0.00 C ATOM 1102 NZ LYS A 72 -13.751 -4.233 -6.481 1.00 0.00 N ATOM 0 H LYS A 72 -11.328 1.628 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.573 1.973 -7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.014 0.567 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.678 0.829 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.323 -0.355 -7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.596 -0.448 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.025 -1.877 -5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.744 -1.815 -5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.363 -2.866 -7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.635 -2.892 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.649 -5.022 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.015 -4.302 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.689 -4.278 -6.034 1.00 0.00 H new ATOM 1116 N HIS A 73 -13.535 3.521 -4.812 1.00 0.00 N ATOM 1117 CA HIS A 73 -14.112 4.651 -4.116 1.00 0.00 C ATOM 1118 C HIS A 73 -13.846 5.932 -4.889 1.00 0.00 C ATOM 1119 O HIS A 73 -14.734 6.775 -5.026 1.00 0.00 O ATOM 1120 CB HIS A 73 -13.549 4.748 -2.696 1.00 0.00 C ATOM 1121 CG HIS A 73 -14.187 5.897 -1.969 1.00 0.00 C ATOM 1122 ND1 HIS A 73 -13.588 7.145 -1.889 1.00 0.00 N ATOM 1123 CD2 HIS A 73 -15.368 6.005 -1.276 1.00 0.00 C ATOM 1124 CE1 HIS A 73 -14.402 7.941 -1.173 1.00 0.00 C ATOM 1125 NE2 HIS A 73 -15.502 7.297 -0.774 1.00 0.00 N ATOM 0 H HIS A 73 -12.846 2.990 -4.279 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.190 4.507 -4.045 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.734 3.818 -2.158 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.468 4.885 -2.733 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -16.084 5.208 -1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.192 8.976 -0.948 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -16.273 7.671 -0.221 1.00 0.00 H new ATOM 1133 N CYS A 74 -12.641 6.062 -5.434 1.00 0.00 N ATOM 1134 CA CYS A 74 -12.321 7.233 -6.230 1.00 0.00 C ATOM 1135 C CYS A 74 -12.990 7.082 -7.588 1.00 0.00 C ATOM 1136 O CYS A 74 -12.544 6.301 -8.427 1.00 0.00 O ATOM 1137 CB CYS A 74 -10.807 7.365 -6.399 1.00 0.00 C ATOM 1138 SG CYS A 74 -10.426 8.930 -7.224 1.00 0.00 S ATOM 0 H CYS A 74 -11.885 5.383 -5.340 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.683 8.132 -5.731 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.317 7.326 -5.426 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.421 6.530 -6.984 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.725 8.839 -8.486 1.00 0.00 H new ATOM 1144 N GLN A 75 -14.086 7.808 -7.783 1.00 0.00 N ATOM 1145 CA GLN A 75 -14.838 7.717 -9.029 1.00 0.00 C ATOM 1146 C GLN A 75 -14.173 8.577 -10.097 1.00 0.00 C ATOM 1147 O GLN A 75 -14.631 8.670 -11.233 1.00 0.00 O ATOM 1148 CB GLN A 75 -16.286 8.183 -8.781 1.00 0.00 C ATOM 1149 CG GLN A 75 -17.199 7.827 -9.966 1.00 0.00 C ATOM 1150 CD GLN A 75 -17.279 6.314 -10.140 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -17.395 5.580 -9.159 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.218 5.802 -11.339 1.00 0.00 N ATOM 0 H GLN A 75 -14.471 8.461 -7.100 1.00 0.00 H new ATOM 0 HA GLN A 75 -14.852 6.685 -9.379 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -16.669 7.719 -7.872 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.301 9.261 -8.619 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -18.197 8.234 -9.800 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -16.816 8.285 -10.878 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.122 6.413 -12.150 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.266 4.791 -11.465 1.00 0.00 H new ATOM 1161 N GLU A 76 -13.081 9.208 -9.709 1.00 0.00 N ATOM 1162 CA GLU A 76 -12.330 10.081 -10.614 1.00 0.00 C ATOM 1163 C GLU A 76 -10.957 9.518 -10.893 1.00 0.00 C ATOM 1164 O GLU A 76 -10.330 8.910 -10.026 1.00 0.00 O ATOM 1165 CB GLU A 76 -12.195 11.476 -9.999 1.00 0.00 C ATOM 1166 CG GLU A 76 -11.451 12.401 -10.967 1.00 0.00 C ATOM 1167 CD GLU A 76 -11.427 13.823 -10.416 1.00 0.00 C ATOM 1168 OE1 GLU A 76 -12.193 14.098 -9.508 1.00 0.00 O ATOM 1169 OE2 GLU A 76 -10.642 14.616 -10.911 1.00 0.00 O ATOM 0 H GLU A 76 -12.687 9.137 -8.771 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.876 10.146 -11.555 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.182 11.883 -9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.657 11.416 -9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.432 12.042 -11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.938 12.388 -11.942 1.00 0.00 H new ATOM 1176 N ASN A 77 -10.487 9.736 -12.116 1.00 0.00 N ATOM 1177 CA ASN A 77 -9.182 9.258 -12.497 1.00 0.00 C ATOM 1178 C ASN A 77 -8.142 10.233 -11.963 1.00 0.00 C ATOM 1179 O ASN A 77 -7.784 11.198 -12.639 1.00 0.00 O ATOM 1180 CB ASN A 77 -9.077 9.173 -14.021 1.00 0.00 C ATOM 1181 CG ASN A 77 -10.184 8.283 -14.576 1.00 0.00 C ATOM 1182 OD1 ASN A 77 -10.927 7.664 -13.814 1.00 0.00 O ATOM 1183 ND2 ASN A 77 -10.339 8.176 -15.870 1.00 0.00 N ATOM 0 H ASN A 77 -10.991 10.237 -12.848 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.015 8.263 -12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.151 10.171 -14.454 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.103 8.774 -14.304 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.075 7.580 -16.248 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.724 8.689 -16.501 1.00 0.00 H new ATOM 1190 N LYS A 78 -7.685 10.001 -10.734 1.00 0.00 N ATOM 1191 CA LYS A 78 -6.717 10.906 -10.113 1.00 0.00 C ATOM 1192 C LYS A 78 -5.662 11.361 -11.129 1.00 0.00 C ATOM 1193 O LYS A 78 -5.500 12.563 -11.316 1.00 0.00 O ATOM 1194 CB LYS A 78 -6.057 10.234 -8.896 1.00 0.00 C ATOM 1195 CG LYS A 78 -7.040 10.131 -7.717 1.00 0.00 C ATOM 1196 CD LYS A 78 -7.108 11.480 -6.973 1.00 0.00 C ATOM 1197 CE LYS A 78 -7.983 11.361 -5.725 1.00 0.00 C ATOM 1198 NZ LYS A 78 -8.138 12.710 -5.116 1.00 0.00 N ATOM 0 H LYS A 78 -7.963 9.208 -10.156 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.249 11.792 -9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.709 9.238 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.180 10.806 -8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.030 9.856 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.721 9.344 -7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.104 11.797 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.511 12.247 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.959 10.951 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.529 10.674 -5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.732 12.641 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.203 13.083 -4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.588 13.351 -5.801 1.00 0.00 H new ATOM 1212 N CYS A 79 -5.003 10.394 -11.802 1.00 0.00 N ATOM 1213 CA CYS A 79 -3.990 10.665 -12.857 1.00 0.00 C ATOM 1214 C CYS A 79 -2.588 10.135 -12.511 1.00 0.00 C ATOM 1215 O CYS A 79 -1.940 9.540 -13.369 1.00 0.00 O ATOM 1216 CB CYS A 79 -3.900 12.152 -13.252 1.00 0.00 C ATOM 1217 SG CYS A 79 -2.729 12.326 -14.623 1.00 0.00 S ATOM 0 H CYS A 79 -5.155 9.400 -11.632 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.357 10.108 -13.719 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -4.882 12.524 -13.545 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.574 12.749 -12.400 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.979 11.267 -14.690 1.00 0.00 H new ATOM 1223 N PRO A 80 -2.091 10.319 -11.312 1.00 0.00 N ATOM 1224 CA PRO A 80 -0.740 9.824 -10.949 1.00 0.00 C ATOM 1225 C PRO A 80 -0.752 8.324 -10.651 1.00 0.00 C ATOM 1226 O PRO A 80 0.141 7.605 -11.088 1.00 0.00 O ATOM 1227 CB PRO A 80 -0.370 10.647 -9.713 1.00 0.00 C ATOM 1228 CG PRO A 80 -1.679 10.992 -9.068 1.00 0.00 C ATOM 1229 CD PRO A 80 -2.741 10.984 -10.181 1.00 0.00 C ATOM 0 HA PRO A 80 -0.018 9.941 -11.757 1.00 0.00 H new ATOM 0 HB2 PRO A 80 0.265 10.077 -9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.183 11.545 -9.988 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.929 10.270 -8.291 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.628 11.970 -8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.637 10.448 -9.869 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.049 11.997 -10.441 1.00 0.00 H new ATOM 1237 N VAL A 81 -1.775 7.862 -9.919 1.00 0.00 N ATOM 1238 CA VAL A 81 -1.892 6.442 -9.582 1.00 0.00 C ATOM 1239 C VAL A 81 -1.965 5.605 -10.872 1.00 0.00 C ATOM 1240 O VAL A 81 -2.972 5.666 -11.578 1.00 0.00 O ATOM 1241 CB VAL A 81 -3.160 6.203 -8.752 1.00 0.00 C ATOM 1242 CG1 VAL A 81 -3.093 4.809 -8.119 1.00 0.00 C ATOM 1243 CG2 VAL A 81 -3.254 7.250 -7.640 1.00 0.00 C ATOM 0 H VAL A 81 -2.526 8.447 -9.553 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.018 6.144 -9.002 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.034 6.278 -9.399 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.992 4.634 -7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.023 4.056 -8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.217 4.744 -7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.156 7.077 -7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.380 7.174 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.294 8.246 -8.081 1.00 0.00 H new ATOM 1253 N PRO A 82 -0.935 4.851 -11.225 1.00 0.00 N ATOM 1254 CA PRO A 82 -0.944 4.038 -12.490 1.00 0.00 C ATOM 1255 C PRO A 82 -2.129 3.075 -12.602 1.00 0.00 C ATOM 1256 O PRO A 82 -2.807 3.019 -13.628 1.00 0.00 O ATOM 1257 CB PRO A 82 0.370 3.238 -12.415 1.00 0.00 C ATOM 1258 CG PRO A 82 1.259 4.018 -11.511 1.00 0.00 C ATOM 1259 CD PRO A 82 0.339 4.671 -10.488 1.00 0.00 C ATOM 0 HA PRO A 82 -1.035 4.686 -13.361 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.197 2.235 -12.026 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.817 3.124 -13.403 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.988 3.370 -11.024 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.821 4.768 -12.067 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.207 4.041 -9.608 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.739 5.624 -10.141 1.00 0.00 H new ATOM 1267 N PHE A 83 -2.324 2.290 -11.558 1.00 0.00 N ATOM 1268 CA PHE A 83 -3.380 1.280 -11.546 1.00 0.00 C ATOM 1269 C PHE A 83 -4.764 1.885 -11.767 1.00 0.00 C ATOM 1270 O PHE A 83 -5.562 1.349 -12.537 1.00 0.00 O ATOM 1271 CB PHE A 83 -3.366 0.534 -10.210 1.00 0.00 C ATOM 1272 CG PHE A 83 -1.935 0.336 -9.762 1.00 0.00 C ATOM 1273 CD1 PHE A 83 -1.038 -0.367 -10.575 1.00 0.00 C ATOM 1274 CD2 PHE A 83 -1.506 0.860 -8.536 1.00 0.00 C ATOM 1275 CE1 PHE A 83 0.289 -0.548 -10.163 1.00 0.00 C ATOM 1276 CE2 PHE A 83 -0.179 0.679 -8.122 1.00 0.00 C ATOM 1277 CZ PHE A 83 0.717 -0.026 -8.936 1.00 0.00 C ATOM 0 H PHE A 83 -1.767 2.328 -10.704 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.180 0.594 -12.369 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.919 1.099 -9.459 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.863 -0.430 -10.314 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.369 -0.770 -11.521 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.198 1.404 -7.909 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.981 -1.089 -10.791 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.152 1.083 -7.177 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.739 -0.167 -8.617 1.00 0.00 H new ATOM 1287 N CYS A 84 -5.058 2.982 -11.084 1.00 0.00 N ATOM 1288 CA CYS A 84 -6.366 3.605 -11.224 1.00 0.00 C ATOM 1289 C CYS A 84 -6.670 3.859 -12.697 1.00 0.00 C ATOM 1290 O CYS A 84 -7.759 3.557 -13.176 1.00 0.00 O ATOM 1291 CB CYS A 84 -6.433 4.912 -10.415 1.00 0.00 C ATOM 1292 SG CYS A 84 -5.798 6.300 -11.394 1.00 0.00 S ATOM 0 H CYS A 84 -4.422 3.452 -10.439 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.122 2.927 -10.828 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.463 5.110 -10.118 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.851 4.810 -9.499 1.00 0.00 H new ATOM 0 HG CYS A 84 -4.499 6.264 -11.405 1.00 0.00 H new ATOM 1298 N LEU A 85 -5.691 4.389 -13.415 1.00 0.00 N ATOM 1299 CA LEU A 85 -5.860 4.645 -14.838 1.00 0.00 C ATOM 1300 C LEU A 85 -6.050 3.327 -15.591 1.00 0.00 C ATOM 1301 O LEU A 85 -6.831 3.235 -16.528 1.00 0.00 O ATOM 1302 CB LEU A 85 -4.629 5.379 -15.398 1.00 0.00 C ATOM 1303 CG LEU A 85 -4.583 6.837 -14.893 1.00 0.00 C ATOM 1304 CD1 LEU A 85 -3.166 7.409 -15.084 1.00 0.00 C ATOM 1305 CD2 LEU A 85 -5.567 7.708 -15.692 1.00 0.00 C ATOM 0 H LEU A 85 -4.779 4.648 -13.040 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.743 5.270 -14.973 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.721 4.857 -15.098 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.658 5.368 -16.488 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.855 6.844 -13.838 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.138 8.438 -14.726 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.452 6.809 -14.519 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.904 7.385 -16.142 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.525 8.734 -15.326 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.296 7.688 -16.748 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.578 7.320 -15.569 1.00 0.00 H new ATOM 1317 N ASN A 86 -5.323 2.307 -15.176 1.00 0.00 N ATOM 1318 CA ASN A 86 -5.405 1.011 -15.829 1.00 0.00 C ATOM 1319 C ASN A 86 -6.777 0.386 -15.643 1.00 0.00 C ATOM 1320 O ASN A 86 -7.235 -0.376 -16.491 1.00 0.00 O ATOM 1321 CB ASN A 86 -4.338 0.077 -15.267 1.00 0.00 C ATOM 1322 CG ASN A 86 -2.951 0.613 -15.606 1.00 0.00 C ATOM 1323 OD1 ASN A 86 -2.748 1.178 -16.682 1.00 0.00 O ATOM 1324 ND2 ASN A 86 -1.980 0.475 -14.745 1.00 0.00 N ATOM 0 H ASN A 86 -4.671 2.348 -14.393 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.238 1.161 -16.896 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.450 -0.010 -14.186 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.463 -0.923 -15.682 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.051 0.835 -14.962 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.150 0.007 -13.855 1.00 0.00 H new ATOM 1331 N ILE A 87 -7.420 0.694 -14.520 1.00 0.00 N ATOM 1332 CA ILE A 87 -8.742 0.145 -14.220 1.00 0.00 C ATOM 1333 C ILE A 87 -9.861 1.101 -14.632 1.00 0.00 C ATOM 1334 O ILE A 87 -10.828 0.693 -15.277 1.00 0.00 O ATOM 1335 CB ILE A 87 -8.833 -0.156 -12.726 1.00 0.00 C ATOM 1336 CG1 ILE A 87 -7.798 -1.228 -12.374 1.00 0.00 C ATOM 1337 CG2 ILE A 87 -10.234 -0.669 -12.388 1.00 0.00 C ATOM 1338 CD1 ILE A 87 -7.669 -1.341 -10.856 1.00 0.00 C ATOM 0 H ILE A 87 -7.050 1.319 -13.804 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.870 -0.772 -14.795 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.638 0.752 -12.155 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.097 -2.188 -12.796 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.833 -0.974 -12.813 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.296 -0.883 -11.321 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.972 0.089 -12.649 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.434 -1.580 -12.953 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.932 -2.105 -10.609 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.350 -0.383 -10.446 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.633 -1.616 -10.428 1.00 0.00 H new ATOM 1350 N LYS A 88 -9.745 2.368 -14.234 1.00 0.00 N ATOM 1351 CA LYS A 88 -10.785 3.360 -14.555 1.00 0.00 C ATOM 1352 C LYS A 88 -10.673 3.906 -15.980 1.00 0.00 C ATOM 1353 O LYS A 88 -11.690 4.095 -16.647 1.00 0.00 O ATOM 1354 CB LYS A 88 -10.765 4.520 -13.537 1.00 0.00 C ATOM 1355 CG LYS A 88 -11.331 4.071 -12.171 1.00 0.00 C ATOM 1356 CD LYS A 88 -12.864 3.924 -12.226 1.00 0.00 C ATOM 1357 CE LYS A 88 -13.390 3.582 -10.834 1.00 0.00 C ATOM 1358 NZ LYS A 88 -14.853 3.311 -10.917 1.00 0.00 N ATOM 0 H LYS A 88 -8.958 2.733 -13.698 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.739 2.837 -14.490 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.744 4.879 -13.411 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.352 5.355 -13.921 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.882 3.121 -11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.060 4.797 -11.405 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.317 4.850 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.140 3.142 -12.934 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.868 2.710 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.199 4.406 -10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.243 3.211 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.325 4.100 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.014 2.432 -11.449 1.00 0.00 H new ATOM 1372 N GLN A 89 -9.458 4.174 -16.447 1.00 0.00 N ATOM 1373 CA GLN A 89 -9.282 4.714 -17.799 1.00 0.00 C ATOM 1374 C GLN A 89 -9.272 3.592 -18.830 1.00 0.00 C ATOM 1375 O GLN A 89 -9.512 3.832 -20.012 1.00 0.00 O ATOM 1376 CB GLN A 89 -7.965 5.493 -17.891 1.00 0.00 C ATOM 1377 CG GLN A 89 -8.019 6.486 -19.053 1.00 0.00 C ATOM 1378 CD GLN A 89 -6.678 7.204 -19.177 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -5.626 6.565 -19.158 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -6.654 8.502 -19.297 1.00 0.00 N ATOM 0 H GLN A 89 -8.593 4.031 -15.925 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.118 5.382 -18.007 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.782 6.024 -16.957 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.134 4.802 -18.032 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.250 5.963 -19.981 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.817 7.210 -18.889 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.527 9.029 -19.312 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.762 8.991 -19.375 1.00 0.00 H new ATOM 1389 N LYS A 90 -8.974 2.381 -18.358 1.00 0.00 N ATOM 1390 CA LYS A 90 -8.904 1.184 -19.217 1.00 0.00 C ATOM 1391 C LYS A 90 -9.715 1.349 -20.508 1.00 0.00 C ATOM 1392 O LYS A 90 -9.128 1.250 -21.572 1.00 0.00 O ATOM 1393 CB LYS A 90 -9.421 -0.044 -18.434 1.00 0.00 C ATOM 1394 CG LYS A 90 -8.643 -1.308 -18.836 1.00 0.00 C ATOM 1395 CD LYS A 90 -9.075 -2.483 -17.959 1.00 0.00 C ATOM 1396 CE LYS A 90 -8.268 -3.725 -18.346 1.00 0.00 C ATOM 1397 NZ LYS A 90 -8.689 -4.877 -17.502 1.00 0.00 N ATOM 1398 OXT LYS A 90 -10.911 1.569 -20.406 1.00 0.00 O ATOM 0 H LYS A 90 -8.774 2.196 -17.375 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.861 1.041 -19.500 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.315 0.130 -17.363 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.484 -0.186 -18.630 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.825 -1.540 -19.885 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.572 -1.137 -18.728 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.916 -2.245 -16.907 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.141 -2.674 -18.085 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.422 -3.958 -19.400 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.203 -3.535 -18.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.140 -5.720 -17.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.520 -4.654 -16.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.702 -5.063 -17.649 1.00 0.00 H new ATOM 1572 N PRO B 12 -3.101 -11.375 14.579 1.00 0.00 N ATOM 1573 CA PRO B 12 -2.700 -10.357 15.603 1.00 0.00 C ATOM 1574 C PRO B 12 -2.044 -9.116 14.979 1.00 0.00 C ATOM 1575 O PRO B 12 -0.872 -9.163 14.605 1.00 0.00 O ATOM 1576 CB PRO B 12 -1.703 -11.125 16.472 1.00 0.00 C ATOM 1577 CG PRO B 12 -2.202 -12.530 16.445 1.00 0.00 C ATOM 1578 CD PRO B 12 -2.761 -12.743 15.034 1.00 0.00 C ATOM 0 HA PRO B 12 -3.555 -9.963 16.152 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -0.691 -11.054 16.074 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -1.675 -10.732 17.488 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -1.399 -13.235 16.659 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -2.973 -12.687 17.200 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -2.026 -13.211 14.379 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -3.638 -13.391 15.044 1.00 0.00 H new ATOM 1586 N PRO B 13 -2.755 -8.012 14.859 1.00 0.00 N ATOM 1587 CA PRO B 13 -2.180 -6.766 14.265 1.00 0.00 C ATOM 1588 C PRO B 13 -0.907 -6.329 14.993 1.00 0.00 C ATOM 1589 O PRO B 13 -0.876 -6.258 16.221 1.00 0.00 O ATOM 1590 CB PRO B 13 -3.304 -5.725 14.431 1.00 0.00 C ATOM 1591 CG PRO B 13 -4.561 -6.524 14.559 1.00 0.00 C ATOM 1592 CD PRO B 13 -4.164 -7.821 15.258 1.00 0.00 C ATOM 0 HA PRO B 13 -1.881 -6.902 13.226 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -3.140 -5.105 15.312 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -3.349 -5.054 13.573 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -5.310 -5.983 15.137 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -4.997 -6.725 13.580 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -4.267 -7.741 16.340 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.788 -8.656 14.939 1.00 0.00 H new ATOM 1600 N LEU B 14 0.138 -6.040 14.222 1.00 0.00 N ATOM 1601 CA LEU B 14 1.419 -5.610 14.788 1.00 0.00 C ATOM 1602 C LEU B 14 1.621 -4.115 14.559 1.00 0.00 C ATOM 1603 O LEU B 14 2.678 -3.569 14.871 1.00 0.00 O ATOM 1604 CB LEU B 14 2.556 -6.391 14.121 1.00 0.00 C ATOM 1605 CG LEU B 14 2.336 -7.900 14.309 1.00 0.00 C ATOM 1606 CD1 LEU B 14 3.308 -8.667 13.409 1.00 0.00 C ATOM 1607 CD2 LEU B 14 2.583 -8.302 15.771 1.00 0.00 C ATOM 0 H LEU B 14 0.126 -6.095 13.204 1.00 0.00 H new ATOM 0 HA LEU B 14 1.419 -5.805 15.860 1.00 0.00 H new ATOM 0 HB2 LEU B 14 2.599 -6.151 13.059 1.00 0.00 H new ATOM 0 HB3 LEU B 14 3.513 -6.098 14.553 1.00 0.00 H new ATOM 0 HG LEU B 14 1.306 -8.141 14.044 1.00 0.00 H new ATOM 0 HD11 LEU B 14 3.156 -9.738 13.539 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.129 -8.399 12.368 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.333 -8.411 13.678 1.00 0.00 H new ATOM 0 HD21 LEU B 14 2.423 -9.374 15.886 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.608 -8.057 16.047 1.00 0.00 H new ATOM 0 HD23 LEU B 14 1.893 -7.761 16.419 1.00 0.00 H new ATOM 1619 N SER B 15 0.600 -3.469 13.993 1.00 0.00 N ATOM 1620 CA SER B 15 0.654 -2.035 13.691 1.00 0.00 C ATOM 1621 C SER B 15 1.294 -1.808 12.324 1.00 0.00 C ATOM 1622 O SER B 15 0.979 -0.843 11.629 1.00 0.00 O ATOM 1623 CB SER B 15 1.442 -1.276 14.773 1.00 0.00 C ATOM 1624 OG SER B 15 1.252 -1.916 16.028 1.00 0.00 O ATOM 0 H SER B 15 -0.278 -3.917 13.733 1.00 0.00 H new ATOM 0 HA SER B 15 -0.366 -1.652 13.676 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.502 -1.254 14.520 1.00 0.00 H new ATOM 0 HB3 SER B 15 1.106 -0.241 14.825 1.00 0.00 H new ATOM 0 HG SER B 15 1.962 -2.576 16.169 1.00 0.00 H new ATOM 1630 N GLN B 16 2.192 -2.717 11.943 1.00 0.00 N ATOM 1631 CA GLN B 16 2.880 -2.636 10.656 1.00 0.00 C ATOM 1632 C GLN B 16 2.409 -3.778 9.773 1.00 0.00 C ATOM 1633 O GLN B 16 3.109 -4.208 8.857 1.00 0.00 O ATOM 1634 CB GLN B 16 4.394 -2.741 10.865 1.00 0.00 C ATOM 1635 CG GLN B 16 4.891 -1.517 11.638 1.00 0.00 C ATOM 1636 CD GLN B 16 6.394 -1.624 11.873 1.00 0.00 C ATOM 1637 OE1 GLN B 16 7.038 -2.545 11.371 1.00 0.00 O ATOM 1638 NE2 GLN B 16 6.995 -0.733 12.612 1.00 0.00 N ATOM 0 H GLN B 16 2.460 -3.521 12.511 1.00 0.00 H new ATOM 0 HA GLN B 16 2.654 -1.681 10.181 1.00 0.00 H new ATOM 0 HB2 GLN B 16 4.633 -3.652 11.413 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.901 -2.806 9.902 1.00 0.00 H new ATOM 0 HG2 GLN B 16 4.666 -0.608 11.080 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.370 -1.443 12.592 1.00 0.00 H new ATOM 0 HE21 GLN B 16 6.460 0.030 13.027 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.000 -0.799 12.774 1.00 0.00 H new ATOM 1647 N GLU B 17 1.218 -4.280 10.083 1.00 0.00 N ATOM 1648 CA GLU B 17 0.647 -5.395 9.347 1.00 0.00 C ATOM 1649 C GLU B 17 0.878 -5.253 7.845 1.00 0.00 C ATOM 1650 O GLU B 17 1.800 -5.853 7.294 1.00 0.00 O ATOM 1651 CB GLU B 17 -0.856 -5.494 9.629 1.00 0.00 C ATOM 1652 CG GLU B 17 -1.446 -6.702 8.894 1.00 0.00 C ATOM 1653 CD GLU B 17 -2.918 -6.864 9.254 1.00 0.00 C ATOM 1654 OE1 GLU B 17 -3.468 -5.948 9.843 1.00 0.00 O ATOM 1655 OE2 GLU B 17 -3.475 -7.902 8.937 1.00 0.00 O ATOM 0 H GLU B 17 0.631 -3.930 10.840 1.00 0.00 H new ATOM 0 HA GLU B 17 1.146 -6.304 9.682 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -1.028 -5.590 10.701 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.356 -4.581 9.306 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.339 -6.571 7.817 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.896 -7.605 9.161 1.00 0.00 H new ATOM 1662 N THR B 18 0.023 -4.480 7.183 1.00 0.00 N ATOM 1663 CA THR B 18 0.146 -4.309 5.741 1.00 0.00 C ATOM 1664 C THR B 18 1.560 -3.932 5.372 1.00 0.00 C ATOM 1665 O THR B 18 2.170 -4.584 4.522 1.00 0.00 O ATOM 1666 CB THR B 18 -0.815 -3.220 5.255 1.00 0.00 C ATOM 1667 OG1 THR B 18 -2.146 -3.577 5.597 1.00 0.00 O ATOM 1668 CG2 THR B 18 -0.701 -3.071 3.735 1.00 0.00 C ATOM 0 H THR B 18 -0.749 -3.971 7.613 1.00 0.00 H new ATOM 0 HA THR B 18 -0.106 -5.255 5.261 1.00 0.00 H new ATOM 0 HB THR B 18 -0.557 -2.273 5.730 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.761 -2.880 5.288 1.00 0.00 H new ATOM 0 HG21 THR B 18 -1.386 -2.295 3.393 1.00 0.00 H new ATOM 0 HG22 THR B 18 0.320 -2.795 3.472 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.956 -4.017 3.257 1.00 0.00 H new ATOM 1676 N PHE B 19 2.085 -2.886 6.013 1.00 0.00 N ATOM 1677 CA PHE B 19 3.443 -2.441 5.731 1.00 0.00 C ATOM 1678 C PHE B 19 4.348 -3.643 5.523 1.00 0.00 C ATOM 1679 O PHE B 19 5.028 -3.757 4.494 1.00 0.00 O ATOM 1680 CB PHE B 19 3.962 -1.595 6.899 1.00 0.00 C ATOM 1681 CG PHE B 19 3.260 -0.261 6.891 1.00 0.00 C ATOM 1682 CD1 PHE B 19 2.017 -0.122 7.512 1.00 0.00 C ATOM 1683 CD2 PHE B 19 3.849 0.833 6.248 1.00 0.00 C ATOM 1684 CE1 PHE B 19 1.363 1.112 7.496 1.00 0.00 C ATOM 1685 CE2 PHE B 19 3.194 2.067 6.228 1.00 0.00 C ATOM 1686 CZ PHE B 19 1.950 2.208 6.852 1.00 0.00 C ATOM 0 H PHE B 19 1.595 -2.340 6.721 1.00 0.00 H new ATOM 0 HA PHE B 19 3.441 -1.837 4.824 1.00 0.00 H new ATOM 0 HB2 PHE B 19 3.783 -2.108 7.844 1.00 0.00 H new ATOM 0 HB3 PHE B 19 5.039 -1.454 6.812 1.00 0.00 H new ATOM 0 HD1 PHE B 19 1.562 -0.968 8.004 1.00 0.00 H new ATOM 0 HD2 PHE B 19 4.810 0.724 5.767 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.404 1.221 7.981 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.648 2.912 5.731 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.443 3.161 6.837 1.00 0.00 H new ATOM 1696 N SER B 20 4.341 -4.537 6.522 1.00 0.00 N ATOM 1697 CA SER B 20 5.154 -5.750 6.487 1.00 0.00 C ATOM 1698 C SER B 20 5.299 -6.256 5.068 1.00 0.00 C ATOM 1699 O SER B 20 6.393 -6.315 4.530 1.00 0.00 O ATOM 1700 CB SER B 20 4.494 -6.833 7.342 1.00 0.00 C ATOM 1701 OG SER B 20 5.441 -7.860 7.609 1.00 0.00 O ATOM 0 H SER B 20 3.777 -4.437 7.366 1.00 0.00 H new ATOM 0 HA SER B 20 6.143 -5.515 6.880 1.00 0.00 H new ATOM 0 HB2 SER B 20 4.131 -6.405 8.276 1.00 0.00 H new ATOM 0 HB3 SER B 20 3.629 -7.246 6.823 1.00 0.00 H new ATOM 0 HG SER B 20 5.023 -8.556 8.158 1.00 0.00 H new ATOM 1707 N ASP B 21 4.178 -6.607 4.469 1.00 0.00 N ATOM 1708 CA ASP B 21 4.183 -7.118 3.113 1.00 0.00 C ATOM 1709 C ASP B 21 4.748 -6.112 2.110 1.00 0.00 C ATOM 1710 O ASP B 21 5.539 -6.478 1.240 1.00 0.00 O ATOM 1711 CB ASP B 21 2.752 -7.487 2.708 1.00 0.00 C ATOM 1712 CG ASP B 21 2.316 -8.769 3.413 1.00 0.00 C ATOM 1713 OD1 ASP B 21 3.151 -9.387 4.052 1.00 0.00 O ATOM 1714 OD2 ASP B 21 1.151 -9.113 3.304 1.00 0.00 O ATOM 0 H ASP B 21 3.255 -6.548 4.899 1.00 0.00 H new ATOM 0 HA ASP B 21 4.830 -7.995 3.095 1.00 0.00 H new ATOM 0 HB2 ASP B 21 2.073 -6.674 2.965 1.00 0.00 H new ATOM 0 HB3 ASP B 21 2.695 -7.621 1.628 1.00 0.00 H new ATOM 1719 N LEU B 22 4.311 -4.865 2.194 1.00 0.00 N ATOM 1720 CA LEU B 22 4.759 -3.865 1.235 1.00 0.00 C ATOM 1721 C LEU B 22 6.248 -3.970 0.936 1.00 0.00 C ATOM 1722 O LEU B 22 6.616 -4.301 -0.177 1.00 0.00 O ATOM 1723 CB LEU B 22 4.456 -2.463 1.748 1.00 0.00 C ATOM 1724 CG LEU B 22 2.989 -2.362 2.162 1.00 0.00 C ATOM 1725 CD1 LEU B 22 2.656 -0.908 2.543 1.00 0.00 C ATOM 1726 CD2 LEU B 22 2.069 -2.814 1.014 1.00 0.00 C ATOM 0 H LEU B 22 3.659 -4.525 2.901 1.00 0.00 H new ATOM 0 HA LEU B 22 4.214 -4.055 0.311 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.099 -2.231 2.597 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.675 -1.728 0.973 1.00 0.00 H new ATOM 0 HG LEU B 22 2.826 -3.014 3.020 1.00 0.00 H new ATOM 0 HD11 LEU B 22 1.609 -0.840 2.838 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.288 -0.596 3.374 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.835 -0.257 1.687 1.00 0.00 H new ATOM 0 HD21 LEU B 22 1.028 -2.735 1.329 1.00 0.00 H new ATOM 0 HD22 LEU B 22 2.234 -2.179 0.144 1.00 0.00 H new ATOM 0 HD23 LEU B 22 2.292 -3.849 0.755 1.00 0.00 H new ATOM 1738 N TRP B 23 7.114 -3.642 1.897 1.00 0.00 N ATOM 1739 CA TRP B 23 8.571 -3.669 1.622 1.00 0.00 C ATOM 1740 C TRP B 23 9.268 -5.006 1.968 1.00 0.00 C ATOM 1741 O TRP B 23 10.391 -5.226 1.522 1.00 0.00 O ATOM 1742 CB TRP B 23 9.274 -2.466 2.308 1.00 0.00 C ATOM 1743 CG TRP B 23 9.862 -2.854 3.622 1.00 0.00 C ATOM 1744 CD1 TRP B 23 11.177 -3.048 3.868 1.00 0.00 C ATOM 1745 CD2 TRP B 23 9.173 -3.095 4.863 1.00 0.00 C ATOM 1746 NE1 TRP B 23 11.331 -3.395 5.198 1.00 0.00 N ATOM 1747 CE2 TRP B 23 10.117 -3.440 5.851 1.00 0.00 C ATOM 1748 CE3 TRP B 23 7.824 -3.048 5.216 1.00 0.00 C ATOM 1749 CZ2 TRP B 23 9.727 -3.730 7.153 1.00 0.00 C ATOM 1750 CZ3 TRP B 23 7.425 -3.342 6.519 1.00 0.00 C ATOM 1751 CH2 TRP B 23 8.372 -3.684 7.486 1.00 0.00 C ATOM 0 H TRP B 23 6.856 -3.363 2.843 1.00 0.00 H new ATOM 0 HA TRP B 23 8.672 -3.578 0.540 1.00 0.00 H new ATOM 0 HB2 TRP B 23 10.059 -2.082 1.656 1.00 0.00 H new ATOM 0 HB3 TRP B 23 8.556 -1.658 2.453 1.00 0.00 H new ATOM 0 HD1 TRP B 23 11.974 -2.949 3.146 1.00 0.00 H new ATOM 0 HE1 TRP B 23 12.229 -3.593 5.640 1.00 0.00 H new ATOM 0 HE3 TRP B 23 7.084 -2.782 4.475 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 10.464 -3.988 7.899 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 6.378 -3.305 6.782 1.00 0.00 H new ATOM 0 HH2 TRP B 23 8.056 -3.913 8.493 1.00 0.00 H new ATOM 1762 N LYS B 24 8.647 -5.907 2.748 1.00 0.00 N ATOM 1763 CA LYS B 24 9.335 -7.180 3.064 1.00 0.00 C ATOM 1764 C LYS B 24 9.099 -8.259 1.996 1.00 0.00 C ATOM 1765 O LYS B 24 9.841 -9.241 1.952 1.00 0.00 O ATOM 1766 CB LYS B 24 8.920 -7.776 4.422 1.00 0.00 C ATOM 1767 CG LYS B 24 9.328 -6.862 5.592 1.00 0.00 C ATOM 1768 CD LYS B 24 9.441 -7.692 6.921 1.00 0.00 C ATOM 1769 CE LYS B 24 8.751 -6.987 8.097 1.00 0.00 C ATOM 1770 NZ LYS B 24 9.009 -7.758 9.346 1.00 0.00 N ATOM 0 H LYS B 24 7.719 -5.794 3.155 1.00 0.00 H new ATOM 0 HA LYS B 24 10.390 -6.907 3.096 1.00 0.00 H new ATOM 0 HB2 LYS B 24 7.841 -7.929 4.438 1.00 0.00 H new ATOM 0 HB3 LYS B 24 9.382 -8.755 4.546 1.00 0.00 H new ATOM 0 HG2 LYS B 24 10.282 -6.383 5.372 1.00 0.00 H new ATOM 0 HG3 LYS B 24 8.593 -6.066 5.714 1.00 0.00 H new ATOM 0 HD2 LYS B 24 8.994 -8.675 6.774 1.00 0.00 H new ATOM 0 HD3 LYS B 24 10.492 -7.853 7.160 1.00 0.00 H new ATOM 0 HE2 LYS B 24 9.127 -5.969 8.199 1.00 0.00 H new ATOM 0 HE3 LYS B 24 7.679 -6.914 7.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 8.544 -7.286 10.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 8.630 -8.721 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 10.033 -7.806 9.519 1.00 0.00 H new ATOM 1784 N LEU B 25 8.073 -8.108 1.149 1.00 0.00 N ATOM 1785 CA LEU B 25 7.791 -9.127 0.119 1.00 0.00 C ATOM 1786 C LEU B 25 8.288 -8.697 -1.263 1.00 0.00 C ATOM 1787 O LEU B 25 7.729 -9.106 -2.281 1.00 0.00 O ATOM 1788 CB LEU B 25 6.283 -9.421 0.059 1.00 0.00 C ATOM 1789 CG LEU B 25 5.854 -10.308 1.248 1.00 0.00 C ATOM 1790 CD1 LEU B 25 4.331 -10.477 1.222 1.00 0.00 C ATOM 1791 CD2 LEU B 25 6.530 -11.698 1.170 1.00 0.00 C ATOM 0 H LEU B 25 7.436 -7.312 1.151 1.00 0.00 H new ATOM 0 HA LEU B 25 8.330 -10.031 0.402 1.00 0.00 H new ATOM 0 HB2 LEU B 25 5.724 -8.486 0.076 1.00 0.00 H new ATOM 0 HB3 LEU B 25 6.041 -9.920 -0.880 1.00 0.00 H new ATOM 0 HG LEU B 25 6.163 -9.827 2.176 1.00 0.00 H new ATOM 0 HD11 LEU B 25 4.020 -11.102 2.059 1.00 0.00 H new ATOM 0 HD12 LEU B 25 3.855 -9.500 1.303 1.00 0.00 H new ATOM 0 HD13 LEU B 25 4.033 -10.949 0.286 1.00 0.00 H new ATOM 0 HD21 LEU B 25 6.213 -12.305 2.018 1.00 0.00 H new ATOM 0 HD22 LEU B 25 6.241 -12.192 0.242 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.613 -11.578 1.195 1.00 0.00 H new ATOM 1803 N LEU B 26 9.336 -7.877 -1.302 1.00 0.00 N ATOM 1804 CA LEU B 26 9.887 -7.411 -2.569 1.00 0.00 C ATOM 1805 C LEU B 26 10.899 -8.426 -3.116 1.00 0.00 C ATOM 1806 O LEU B 26 11.499 -9.179 -2.351 1.00 0.00 O ATOM 1807 CB LEU B 26 10.477 -5.983 -2.353 1.00 0.00 C ATOM 1808 CG LEU B 26 12.028 -5.988 -2.167 1.00 0.00 C ATOM 1809 CD1 LEU B 26 12.735 -5.598 -3.473 1.00 0.00 C ATOM 1810 CD2 LEU B 26 12.434 -4.983 -1.085 1.00 0.00 C ATOM 0 H LEU B 26 9.817 -7.524 -0.475 1.00 0.00 H new ATOM 0 HA LEU B 26 9.113 -7.334 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU B 26 10.221 -5.356 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU B 26 10.012 -5.532 -1.476 1.00 0.00 H new ATOM 0 HG LEU B 26 12.323 -6.996 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU B 26 13.814 -5.608 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.473 -6.310 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU B 26 12.421 -4.598 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU B 26 13.517 -4.996 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU B 26 12.113 -3.983 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU B 26 11.961 -5.254 -0.141 1.00 0.00 H new ATOM 1822 N PRO B 27 11.079 -8.481 -4.417 1.00 0.00 N ATOM 1823 CA PRO B 27 12.019 -9.453 -5.055 1.00 0.00 C ATOM 1824 C PRO B 27 13.475 -9.221 -4.649 1.00 0.00 C ATOM 1825 O PRO B 27 14.382 -9.730 -5.301 1.00 0.00 O ATOM 1826 CB PRO B 27 11.810 -9.231 -6.567 1.00 0.00 C ATOM 1827 CG PRO B 27 11.243 -7.850 -6.685 1.00 0.00 C ATOM 1828 CD PRO B 27 10.411 -7.634 -5.425 1.00 0.00 C ATOM 0 HA PRO B 27 11.815 -10.477 -4.743 1.00 0.00 H new ATOM 0 HB2 PRO B 27 12.750 -9.319 -7.112 1.00 0.00 H new ATOM 0 HB3 PRO B 27 11.129 -9.973 -6.984 1.00 0.00 H new ATOM 0 HG2 PRO B 27 12.036 -7.107 -6.762 1.00 0.00 H new ATOM 0 HG3 PRO B 27 10.629 -7.755 -7.580 1.00 0.00 H new ATOM 0 HD2 PRO B 27 10.402 -6.586 -5.125 1.00 0.00 H new ATOM 0 HD3 PRO B 27 9.373 -7.932 -5.574 1.00 0.00 H new