USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 565 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 52 TYR OH : rot 50:sc= 0.478 USER MOD Set 1.2: A 67 CYS SG : rot 25:sc= 0.531 USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0.35 USER MOD Set 2.2: A 10 GLN : amide:sc= 0.71 K(o=1.1,f=-3.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -33:sc= 1.32 USER MOD Single : A 18 ASN : amide:sc=-0.000296 K(o=-0.0003,f=-1.2!) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.106 USER MOD Single : A 22 GLN : amide:sc= 1.23 K(o=1.2,f=-7.8!) USER MOD Single : A 23 THR OG1 : rot -63:sc= 0.747 USER MOD Single : A 31 THR OG1 : rot -89:sc= 1.12 USER MOD Single : A 32 GLN : amide:sc= 0.896 K(o=0.9,f=-0.024) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 78:sc= 1.01 USER MOD Single : A 46 HIS : no HD1:sc= -0.511 K(o=-0.51,f=-3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=-0.27) USER MOD Single : A 59 SER OG : rot 106:sc= 0.638 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 90:sc= 0.31 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.0693 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 5.415 -14.190 -3.814 1.00 0.00 N ATOM 56 CA LEU A 6 5.647 -13.268 -2.709 1.00 0.00 C ATOM 57 C LEU A 6 4.363 -13.009 -1.932 1.00 0.00 C ATOM 58 O LEU A 6 3.263 -13.176 -2.458 1.00 0.00 O ATOM 59 CB LEU A 6 6.230 -11.949 -3.232 1.00 0.00 C ATOM 60 CG LEU A 6 7.532 -12.084 -4.032 1.00 0.00 C ATOM 61 CD1 LEU A 6 7.971 -10.720 -4.549 1.00 0.00 C ATOM 62 CD2 LEU A 6 8.610 -12.697 -3.149 1.00 0.00 C ATOM 0 HA LEU A 6 6.365 -13.727 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.484 -11.464 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.410 -11.288 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 6 7.366 -12.737 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.896 -10.826 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.195 -10.309 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.136 -10.048 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.535 -12.793 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.780 -12.056 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.288 -13.682 -2.812 1.00 0.00 H new ATOM 74 N SER A 7 4.510 -12.599 -0.676 1.00 0.00 N ATOM 75 CA SER A 7 3.365 -12.248 0.155 1.00 0.00 C ATOM 76 C SER A 7 2.745 -10.929 -0.288 1.00 0.00 C ATOM 77 O SER A 7 3.359 -10.165 -1.033 1.00 0.00 O ATOM 78 CB SER A 7 3.779 -12.175 1.612 1.00 0.00 C ATOM 79 OG SER A 7 4.544 -11.033 1.885 1.00 0.00 O ATOM 0 H SER A 7 5.413 -12.502 -0.211 1.00 0.00 H new ATOM 0 HA SER A 7 2.611 -13.027 0.039 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.889 -12.174 2.242 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.352 -13.065 1.871 1.00 0.00 H new ATOM 0 HG SER A 7 4.789 -11.023 2.834 1.00 0.00 H new ATOM 85 N LEU A 8 1.528 -10.667 0.176 1.00 0.00 N ATOM 86 CA LEU A 8 0.856 -9.404 -0.108 1.00 0.00 C ATOM 87 C LEU A 8 1.602 -8.231 0.514 1.00 0.00 C ATOM 88 O LEU A 8 1.608 -7.128 -0.032 1.00 0.00 O ATOM 89 CB LEU A 8 -0.591 -9.448 0.400 1.00 0.00 C ATOM 90 CG LEU A 8 -1.514 -10.424 -0.340 1.00 0.00 C ATOM 91 CD1 LEU A 8 -2.882 -10.458 0.329 1.00 0.00 C ATOM 92 CD2 LEU A 8 -1.637 -10.001 -1.796 1.00 0.00 C ATOM 0 H LEU A 8 0.986 -11.313 0.751 1.00 0.00 H new ATOM 0 HA LEU A 8 0.847 -9.260 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.580 -9.714 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.015 -8.446 0.328 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.090 -11.427 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.530 -11.154 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.773 -10.783 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.323 -9.461 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.293 -10.695 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.055 -8.996 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.652 -10.009 -2.262 1.00 0.00 H new ATOM 104 N THR A 9 2.229 -8.474 1.659 1.00 0.00 N ATOM 105 CA THR A 9 3.066 -7.470 2.303 1.00 0.00 C ATOM 106 C THR A 9 4.272 -7.123 1.440 1.00 0.00 C ATOM 107 O THR A 9 4.574 -5.949 1.223 1.00 0.00 O ATOM 108 CB THR A 9 3.557 -7.944 3.685 1.00 0.00 C ATOM 109 OG1 THR A 9 2.431 -8.144 4.551 1.00 0.00 O ATOM 110 CG2 THR A 9 4.490 -6.913 4.301 1.00 0.00 C ATOM 0 H THR A 9 2.173 -9.360 2.161 1.00 0.00 H new ATOM 0 HA THR A 9 2.447 -6.582 2.432 1.00 0.00 H new ATOM 0 HB THR A 9 4.100 -8.881 3.561 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.743 -8.447 5.429 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.827 -7.264 5.276 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.352 -6.767 3.650 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.961 -5.968 4.419 1.00 0.00 H new ATOM 118 N GLN A 10 4.958 -8.150 0.951 1.00 0.00 N ATOM 119 CA GLN A 10 6.119 -7.954 0.090 1.00 0.00 C ATOM 120 C GLN A 10 5.737 -7.224 -1.192 1.00 0.00 C ATOM 121 O GLN A 10 6.455 -6.334 -1.647 1.00 0.00 O ATOM 122 CB GLN A 10 6.763 -9.300 -0.256 1.00 0.00 C ATOM 123 CG GLN A 10 7.501 -9.952 0.902 1.00 0.00 C ATOM 124 CD GLN A 10 7.982 -11.352 0.567 1.00 0.00 C ATOM 125 OE1 GLN A 10 7.185 -12.286 0.454 1.00 0.00 O ATOM 126 NE2 GLN A 10 9.292 -11.504 0.410 1.00 0.00 N ATOM 0 H GLN A 10 4.730 -9.127 1.136 1.00 0.00 H new ATOM 0 HA GLN A 10 6.837 -7.342 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.988 -9.981 -0.608 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.460 -9.155 -1.081 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.355 -9.334 1.179 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.843 -9.995 1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.914 -10.702 0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.676 -12.422 0.186 1.00 0.00 H new ATOM 135 N LEU A 11 4.602 -7.606 -1.768 1.00 0.00 N ATOM 136 CA LEU A 11 4.137 -7.007 -3.014 1.00 0.00 C ATOM 137 C LEU A 11 3.798 -5.533 -2.824 1.00 0.00 C ATOM 138 O LEU A 11 4.105 -4.701 -3.675 1.00 0.00 O ATOM 139 CB LEU A 11 2.917 -7.770 -3.546 1.00 0.00 C ATOM 140 CG LEU A 11 3.204 -9.188 -4.054 1.00 0.00 C ATOM 141 CD1 LEU A 11 1.899 -9.899 -4.383 1.00 0.00 C ATOM 142 CD2 LEU A 11 4.104 -9.116 -5.278 1.00 0.00 C ATOM 0 H LEU A 11 3.987 -8.328 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 11 4.944 -7.075 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.172 -7.829 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.474 -7.193 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 11 3.714 -9.757 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.114 -10.905 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.281 -9.958 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.367 -9.343 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.308 -10.124 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.608 -8.543 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.042 -8.629 -5.012 1.00 0.00 H new ATOM 154 N ILE A 12 3.163 -5.219 -1.698 1.00 0.00 N ATOM 155 CA ILE A 12 2.852 -3.836 -1.357 1.00 0.00 C ATOM 156 C ILE A 12 4.121 -3.017 -1.158 1.00 0.00 C ATOM 157 O ILE A 12 4.200 -1.864 -1.581 1.00 0.00 O ATOM 158 CB ILE A 12 1.991 -3.749 -0.083 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.585 -4.295 -0.351 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.922 -2.314 0.415 1.00 0.00 C ATOM 161 CD1 ILE A 12 -0.217 -4.554 0.904 1.00 0.00 C ATOM 0 H ILE A 12 2.854 -5.904 -1.008 1.00 0.00 H new ATOM 0 HA ILE A 12 2.288 -3.426 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 12 2.455 -4.359 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.043 -3.587 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.667 -5.223 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.310 -2.271 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.927 -1.959 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.479 -1.682 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.200 -4.939 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.302 -5.286 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.332 -3.624 1.461 1.00 0.00 H new ATOM 173 N LEU A 13 5.113 -3.620 -0.513 1.00 0.00 N ATOM 174 CA LEU A 13 6.388 -2.956 -0.275 1.00 0.00 C ATOM 175 C LEU A 13 7.120 -2.683 -1.582 1.00 0.00 C ATOM 176 O LEU A 13 7.821 -1.681 -1.716 1.00 0.00 O ATOM 177 CB LEU A 13 7.262 -3.805 0.657 1.00 0.00 C ATOM 178 CG LEU A 13 6.795 -3.862 2.116 1.00 0.00 C ATOM 179 CD1 LEU A 13 7.631 -4.870 2.894 1.00 0.00 C ATOM 180 CD2 LEU A 13 6.901 -2.479 2.741 1.00 0.00 C ATOM 0 H LEU A 13 5.058 -4.570 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 13 6.185 -1.998 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.303 -4.821 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.279 -3.413 0.633 1.00 0.00 H new ATOM 0 HG LEU A 13 5.754 -4.183 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.291 -4.903 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.522 -5.857 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.679 -4.572 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.568 -2.522 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.937 -2.142 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.273 -1.781 2.187 1.00 0.00 H new ATOM 192 N ILE A 14 6.950 -3.581 -2.548 1.00 0.00 N ATOM 193 CA ILE A 14 7.521 -3.396 -3.877 1.00 0.00 C ATOM 194 C ILE A 14 6.939 -2.166 -4.562 1.00 0.00 C ATOM 195 O ILE A 14 7.660 -1.394 -5.193 1.00 0.00 O ATOM 196 CB ILE A 14 7.289 -4.628 -4.770 1.00 0.00 C ATOM 197 CG1 ILE A 14 8.138 -5.806 -4.286 1.00 0.00 C ATOM 198 CG2 ILE A 14 7.604 -4.300 -6.220 1.00 0.00 C ATOM 199 CD1 ILE A 14 7.762 -7.128 -4.915 1.00 0.00 C ATOM 0 H ILE A 14 6.420 -4.445 -2.434 1.00 0.00 H new ATOM 0 HA ILE A 14 8.593 -3.257 -3.740 1.00 0.00 H new ATOM 0 HB ILE A 14 6.239 -4.912 -4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 14 9.186 -5.598 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.043 -5.889 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.435 -5.182 -6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.958 -3.490 -6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.646 -3.992 -6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.407 -7.914 -4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.723 -7.360 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.884 -7.064 -5.996 1.00 0.00 H new ATOM 211 N ARG A 15 5.627 -1.988 -4.431 1.00 0.00 N ATOM 212 CA ARG A 15 4.957 -0.810 -4.968 1.00 0.00 C ATOM 213 C ARG A 15 5.357 0.446 -4.206 1.00 0.00 C ATOM 214 O ARG A 15 5.457 1.529 -4.783 1.00 0.00 O ATOM 215 CB ARG A 15 3.445 -0.979 -5.008 1.00 0.00 C ATOM 216 CG ARG A 15 2.930 -1.860 -6.136 1.00 0.00 C ATOM 217 CD ARG A 15 3.422 -1.478 -7.485 1.00 0.00 C ATOM 218 NE ARG A 15 3.109 -0.113 -7.874 1.00 0.00 N ATOM 219 CZ ARG A 15 3.440 0.439 -9.059 1.00 0.00 C ATOM 220 NH1 ARG A 15 4.124 -0.238 -9.955 1.00 0.00 N ATOM 221 NH2 ARG A 15 3.079 1.690 -9.287 1.00 0.00 N ATOM 0 H ARG A 15 5.008 -2.646 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 15 5.289 -0.695 -6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.116 -1.400 -4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.986 0.006 -5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.219 -2.892 -5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.840 -1.828 -6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.503 -1.613 -7.516 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.995 -2.160 -8.221 1.00 0.00 H new ATOM 0 HE ARG A 15 2.604 0.468 -7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.413 -1.196 -9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.366 0.195 -10.846 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.565 2.210 -8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.315 2.135 -10.174 1.00 0.00 H new ATOM 235 N LEU A 16 5.586 0.297 -2.905 1.00 0.00 N ATOM 236 CA LEU A 16 5.995 1.416 -2.065 1.00 0.00 C ATOM 237 C LEU A 16 7.455 1.780 -2.304 1.00 0.00 C ATOM 238 O LEU A 16 7.878 2.902 -2.028 1.00 0.00 O ATOM 239 CB LEU A 16 5.762 1.080 -0.587 1.00 0.00 C ATOM 240 CG LEU A 16 4.291 0.990 -0.162 1.00 0.00 C ATOM 241 CD1 LEU A 16 4.192 0.474 1.269 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.639 2.358 -0.289 1.00 0.00 C ATOM 0 H LEU A 16 5.495 -0.590 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 16 5.387 2.281 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.246 0.129 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.254 1.837 0.023 1.00 0.00 H new ATOM 0 HG LEU A 16 3.766 0.291 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.144 0.413 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.644 -0.516 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.717 1.155 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.594 2.292 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.158 3.070 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.697 2.694 -1.324 1.00 0.00 H new ATOM 254 N SER A 17 8.221 0.823 -2.818 1.00 0.00 N ATOM 255 CA SER A 17 9.613 1.067 -3.174 1.00 0.00 C ATOM 256 C SER A 17 9.723 1.768 -4.522 1.00 0.00 C ATOM 257 O SER A 17 10.744 2.379 -4.833 1.00 0.00 O ATOM 258 CB SER A 17 10.382 -0.240 -3.196 1.00 0.00 C ATOM 259 OG SER A 17 10.014 -1.051 -4.276 1.00 0.00 O ATOM 0 H SER A 17 7.901 -0.129 -2.997 1.00 0.00 H new ATOM 0 HA SER A 17 10.046 1.723 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.450 -0.030 -3.249 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.208 -0.778 -2.264 1.00 0.00 H new ATOM 0 HG SER A 17 9.066 -0.912 -4.481 1.00 0.00 H new ATOM 265 N ASN A 18 8.664 1.676 -5.318 1.00 0.00 N ATOM 266 CA ASN A 18 8.583 2.411 -6.575 1.00 0.00 C ATOM 267 C ASN A 18 8.089 3.833 -6.351 1.00 0.00 C ATOM 268 O ASN A 18 8.692 4.794 -6.831 1.00 0.00 O ATOM 269 CB ASN A 18 7.697 1.698 -7.579 1.00 0.00 C ATOM 270 CG ASN A 18 8.299 0.437 -8.132 1.00 0.00 C ATOM 271 OD1 ASN A 18 9.519 0.240 -8.094 1.00 0.00 O ATOM 272 ND2 ASN A 18 7.460 -0.380 -8.717 1.00 0.00 N ATOM 0 H ASN A 18 7.848 1.099 -5.115 1.00 0.00 H new ATOM 0 HA ASN A 18 9.592 2.458 -6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.746 1.457 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.479 2.377 -8.403 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.804 -1.226 -9.170 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.462 -0.170 -8.720 1.00 0.00 H new ATOM 279 N ARG A 19 6.988 3.963 -5.620 1.00 0.00 N ATOM 280 CA ARG A 19 6.448 5.273 -5.273 1.00 0.00 C ATOM 281 C ARG A 19 6.082 5.343 -3.795 1.00 0.00 C ATOM 282 O ARG A 19 5.500 4.408 -3.244 1.00 0.00 O ATOM 283 CB ARG A 19 5.273 5.663 -6.157 1.00 0.00 C ATOM 284 CG ARG A 19 5.619 5.876 -7.622 1.00 0.00 C ATOM 285 CD ARG A 19 6.465 7.070 -7.884 1.00 0.00 C ATOM 286 NE ARG A 19 6.713 7.334 -9.292 1.00 0.00 N ATOM 287 CZ ARG A 19 7.713 6.785 -10.008 1.00 0.00 C ATOM 288 NH1 ARG A 19 8.580 5.971 -9.448 1.00 0.00 N ATOM 289 NH2 ARG A 19 7.813 7.106 -11.287 1.00 0.00 N ATOM 0 H ARG A 19 6.451 3.176 -5.255 1.00 0.00 H new ATOM 0 HA ARG A 19 7.236 6.003 -5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.511 4.887 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.831 6.579 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.135 4.991 -7.994 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.694 5.968 -8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.986 7.944 -7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.421 6.941 -7.377 1.00 0.00 H new ATOM 0 HE ARG A 19 6.086 7.980 -9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.502 5.746 -8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.331 5.564 -10.005 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.144 7.753 -11.704 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.560 6.707 -11.856 1.00 0.00 H new ATOM 303 N GLY A 20 6.425 6.457 -3.159 1.00 0.00 N ATOM 304 CA GLY A 20 6.270 6.595 -1.715 1.00 0.00 C ATOM 305 C GLY A 20 4.841 6.291 -1.284 1.00 0.00 C ATOM 306 O GLY A 20 4.614 5.662 -0.250 1.00 0.00 O ATOM 0 H GLY A 20 6.813 7.279 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.958 5.919 -1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.536 7.608 -1.413 1.00 0.00 H new ATOM 310 N CYS A 21 3.879 6.745 -2.080 1.00 0.00 N ATOM 311 CA CYS A 21 2.469 6.587 -1.746 1.00 0.00 C ATOM 312 C CYS A 21 1.705 5.920 -2.884 1.00 0.00 C ATOM 313 O CYS A 21 1.831 6.314 -4.044 1.00 0.00 O ATOM 314 CB CYS A 21 2.002 8.030 -1.557 1.00 0.00 C ATOM 315 SG CYS A 21 0.263 8.199 -1.087 1.00 0.00 S ATOM 0 H CYS A 21 4.051 7.226 -2.963 1.00 0.00 H new ATOM 0 HA CYS A 21 2.304 5.956 -0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.620 8.501 -0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.170 8.577 -2.485 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.029 9.458 -0.950 1.00 0.00 H new ATOM 321 N GLN A 22 0.912 4.909 -2.546 1.00 0.00 N ATOM 322 CA GLN A 22 0.143 4.173 -3.541 1.00 0.00 C ATOM 323 C GLN A 22 -1.320 4.056 -3.129 1.00 0.00 C ATOM 324 O GLN A 22 -1.659 4.206 -1.956 1.00 0.00 O ATOM 325 CB GLN A 22 0.733 2.776 -3.750 1.00 0.00 C ATOM 326 CG GLN A 22 2.054 2.765 -4.500 1.00 0.00 C ATOM 327 CD GLN A 22 1.892 3.130 -5.963 1.00 0.00 C ATOM 328 OE1 GLN A 22 1.834 2.256 -6.832 1.00 0.00 O ATOM 329 NE2 GLN A 22 1.821 4.426 -6.244 1.00 0.00 N ATOM 0 H GLN A 22 0.785 4.581 -1.589 1.00 0.00 H new ATOM 0 HA GLN A 22 0.196 4.728 -4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.876 2.305 -2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.013 2.167 -4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.742 3.466 -4.028 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.504 1.775 -4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.873 5.114 -5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.714 4.733 -7.211 1.00 0.00 H new ATOM 338 N THR A 23 -2.183 3.786 -4.104 1.00 0.00 N ATOM 339 CA THR A 23 -3.605 3.599 -3.838 1.00 0.00 C ATOM 340 C THR A 23 -3.939 2.126 -3.641 1.00 0.00 C ATOM 341 O THR A 23 -3.142 1.248 -3.970 1.00 0.00 O ATOM 342 CB THR A 23 -4.471 4.163 -4.978 1.00 0.00 C ATOM 343 OG1 THR A 23 -4.211 3.434 -6.185 1.00 0.00 O ATOM 344 CG2 THR A 23 -4.164 5.636 -5.203 1.00 0.00 C ATOM 0 H THR A 23 -1.922 3.692 -5.086 1.00 0.00 H new ATOM 0 HA THR A 23 -3.828 4.145 -2.921 1.00 0.00 H new ATOM 0 HB THR A 23 -5.520 4.060 -4.702 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.277 3.564 -6.451 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.786 6.018 -6.013 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.373 6.195 -4.291 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.113 5.752 -5.467 1.00 0.00 H new ATOM 352 N LEU A 24 -5.123 1.861 -3.099 1.00 0.00 N ATOM 353 CA LEU A 24 -5.602 0.494 -2.934 1.00 0.00 C ATOM 354 C LEU A 24 -5.913 -0.147 -4.281 1.00 0.00 C ATOM 355 O LEU A 24 -5.731 -1.351 -4.463 1.00 0.00 O ATOM 356 CB LEU A 24 -6.843 0.472 -2.032 1.00 0.00 C ATOM 357 CG LEU A 24 -7.375 -0.925 -1.688 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.316 -1.716 -0.934 1.00 0.00 C ATOM 359 CD2 LEU A 24 -8.644 -0.797 -0.860 1.00 0.00 C ATOM 0 H LEU A 24 -5.769 2.576 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.811 -0.087 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.607 0.992 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.638 1.036 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.610 -1.461 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.703 -2.706 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.425 -1.815 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.060 -1.194 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.021 -1.790 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.425 -0.256 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.397 -0.253 -1.430 1.00 0.00 H new ATOM 371 N GLU A 25 -6.382 0.665 -5.222 1.00 0.00 N ATOM 372 CA GLU A 25 -6.720 0.178 -6.554 1.00 0.00 C ATOM 373 C GLU A 25 -5.474 -0.249 -7.317 1.00 0.00 C ATOM 374 O GLU A 25 -5.487 -1.246 -8.038 1.00 0.00 O ATOM 375 CB GLU A 25 -7.477 1.251 -7.341 1.00 0.00 C ATOM 376 CG GLU A 25 -8.884 1.530 -6.832 1.00 0.00 C ATOM 377 CD GLU A 25 -9.525 2.660 -7.588 1.00 0.00 C ATOM 378 OE1 GLU A 25 -8.869 3.241 -8.419 1.00 0.00 O ATOM 379 OE2 GLU A 25 -10.702 2.873 -7.416 1.00 0.00 O ATOM 0 H GLU A 25 -6.537 1.664 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.363 -0.694 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.903 2.177 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.536 0.944 -8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.493 0.632 -6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.847 1.775 -5.770 1.00 0.00 H new ATOM 386 N GLU A 26 -4.397 0.511 -7.155 1.00 0.00 N ATOM 387 CA GLU A 26 -3.106 0.143 -7.721 1.00 0.00 C ATOM 388 C GLU A 26 -2.596 -1.164 -7.131 1.00 0.00 C ATOM 389 O GLU A 26 -2.081 -2.022 -7.848 1.00 0.00 O ATOM 390 CB GLU A 26 -2.082 1.258 -7.494 1.00 0.00 C ATOM 391 CG GLU A 26 -2.215 2.439 -8.444 1.00 0.00 C ATOM 392 CD GLU A 26 -1.354 3.591 -8.008 1.00 0.00 C ATOM 393 OE1 GLU A 26 -1.501 4.029 -6.892 1.00 0.00 O ATOM 394 OE2 GLU A 26 -0.473 3.963 -8.747 1.00 0.00 O ATOM 0 H GLU A 26 -4.393 1.388 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.243 0.001 -8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.178 1.619 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.080 0.840 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.932 2.132 -9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.257 2.757 -8.488 1.00 0.00 H new ATOM 401 N LEU A 27 -2.744 -1.312 -5.818 1.00 0.00 N ATOM 402 CA LEU A 27 -2.346 -2.537 -5.135 1.00 0.00 C ATOM 403 C LEU A 27 -3.277 -3.689 -5.485 1.00 0.00 C ATOM 404 O LEU A 27 -2.860 -4.847 -5.524 1.00 0.00 O ATOM 405 CB LEU A 27 -2.323 -2.313 -3.617 1.00 0.00 C ATOM 406 CG LEU A 27 -1.242 -1.344 -3.118 1.00 0.00 C ATOM 407 CD1 LEU A 27 -1.421 -1.088 -1.627 1.00 0.00 C ATOM 408 CD2 LEU A 27 0.134 -1.925 -3.404 1.00 0.00 C ATOM 0 H LEU A 27 -3.137 -0.597 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.343 -2.801 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.298 -1.937 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.181 -3.275 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.336 -0.393 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.650 -0.400 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.404 -0.652 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.337 -2.029 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.901 -1.236 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.239 -2.881 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.250 -2.075 -4.477 1.00 0.00 H new ATOM 420 N GLU A 28 -4.542 -3.366 -5.740 1.00 0.00 N ATOM 421 CA GLU A 28 -5.526 -4.371 -6.126 1.00 0.00 C ATOM 422 C GLU A 28 -5.110 -5.088 -7.403 1.00 0.00 C ATOM 423 O GLU A 28 -5.104 -6.317 -7.462 1.00 0.00 O ATOM 424 CB GLU A 28 -6.903 -3.728 -6.307 1.00 0.00 C ATOM 425 CG GLU A 28 -8.000 -4.700 -6.719 1.00 0.00 C ATOM 426 CD GLU A 28 -9.290 -3.980 -7.001 1.00 0.00 C ATOM 427 OE1 GLU A 28 -9.316 -2.779 -6.878 1.00 0.00 O ATOM 428 OE2 GLU A 28 -10.216 -4.615 -7.445 1.00 0.00 O ATOM 0 H GLU A 28 -4.909 -2.416 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.582 -5.109 -5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.192 -3.247 -5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.828 -2.943 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.687 -5.250 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.156 -5.433 -5.927 1.00 0.00 H new ATOM 435 N GLU A 29 -4.762 -4.314 -8.425 1.00 0.00 N ATOM 436 CA GLU A 29 -4.411 -4.871 -9.725 1.00 0.00 C ATOM 437 C GLU A 29 -3.023 -5.496 -9.699 1.00 0.00 C ATOM 438 O GLU A 29 -2.775 -6.511 -10.350 1.00 0.00 O ATOM 439 CB GLU A 29 -4.481 -3.793 -10.808 1.00 0.00 C ATOM 440 CG GLU A 29 -5.886 -3.288 -11.103 1.00 0.00 C ATOM 441 CD GLU A 29 -5.866 -2.176 -12.115 1.00 0.00 C ATOM 442 OE1 GLU A 29 -4.798 -1.789 -12.524 1.00 0.00 O ATOM 443 OE2 GLU A 29 -6.920 -1.789 -12.563 1.00 0.00 O ATOM 0 H GLU A 29 -4.716 -3.296 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.134 -5.653 -9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.861 -2.949 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.050 -4.190 -11.727 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.499 -4.109 -11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.349 -2.935 -10.181 1.00 0.00 H new ATOM 450 N PHE A 30 -2.118 -4.885 -8.942 1.00 0.00 N ATOM 451 CA PHE A 30 -0.750 -5.378 -8.833 1.00 0.00 C ATOM 452 C PHE A 30 -0.709 -6.749 -8.170 1.00 0.00 C ATOM 453 O PHE A 30 -0.039 -7.663 -8.652 1.00 0.00 O ATOM 454 CB PHE A 30 0.115 -4.388 -8.050 1.00 0.00 C ATOM 455 CG PHE A 30 1.552 -4.806 -7.926 1.00 0.00 C ATOM 456 CD1 PHE A 30 2.424 -4.669 -8.998 1.00 0.00 C ATOM 457 CD2 PHE A 30 2.038 -5.333 -6.739 1.00 0.00 C ATOM 458 CE1 PHE A 30 3.746 -5.052 -8.884 1.00 0.00 C ATOM 459 CE2 PHE A 30 3.360 -5.715 -6.623 1.00 0.00 C ATOM 460 CZ PHE A 30 4.215 -5.576 -7.697 1.00 0.00 C ATOM 0 H PHE A 30 -2.308 -4.046 -8.394 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.350 -5.477 -9.842 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.070 -3.415 -8.539 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.305 -4.263 -7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.065 -4.259 -9.930 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.374 -5.446 -5.895 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.414 -4.941 -9.725 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.725 -6.123 -5.692 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.249 -5.877 -7.609 1.00 0.00 H new ATOM 470 N THR A 31 -1.430 -6.885 -7.061 1.00 0.00 N ATOM 471 CA THR A 31 -1.387 -8.107 -6.267 1.00 0.00 C ATOM 472 C THR A 31 -2.444 -9.101 -6.731 1.00 0.00 C ATOM 473 O THR A 31 -2.397 -10.281 -6.383 1.00 0.00 O ATOM 474 CB THR A 31 -1.596 -7.815 -4.769 1.00 0.00 C ATOM 475 OG1 THR A 31 -2.915 -7.292 -4.561 1.00 0.00 O ATOM 476 CG2 THR A 31 -0.571 -6.806 -4.274 1.00 0.00 C ATOM 0 H THR A 31 -2.050 -6.164 -6.693 1.00 0.00 H new ATOM 0 HA THR A 31 -0.397 -8.540 -6.409 1.00 0.00 H new ATOM 0 HB THR A 31 -1.474 -8.744 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.899 -6.317 -4.657 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.734 -6.612 -3.214 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.433 -7.206 -4.420 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.676 -5.876 -4.833 1.00 0.00 H new ATOM 484 N GLN A 32 -3.398 -8.619 -7.521 1.00 0.00 N ATOM 485 CA GLN A 32 -4.543 -9.427 -7.921 1.00 0.00 C ATOM 486 C GLN A 32 -5.257 -10.012 -6.707 1.00 0.00 C ATOM 487 O GLN A 32 -5.443 -11.224 -6.609 1.00 0.00 O ATOM 488 CB GLN A 32 -4.103 -10.558 -8.854 1.00 0.00 C ATOM 489 CG GLN A 32 -3.613 -10.087 -10.212 1.00 0.00 C ATOM 490 CD GLN A 32 -4.743 -9.598 -11.097 1.00 0.00 C ATOM 491 OE1 GLN A 32 -5.664 -10.352 -11.426 1.00 0.00 O ATOM 492 NE2 GLN A 32 -4.678 -8.332 -11.494 1.00 0.00 N ATOM 0 H GLN A 32 -3.400 -7.671 -7.897 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.238 -8.775 -8.450 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.308 -11.125 -8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.940 -11.241 -8.999 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.889 -9.284 -10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.092 -10.904 -10.711 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.899 -7.744 -11.198 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.407 -7.948 -12.095 1.00 0.00 H new ATOM 501 N ALA A 33 -5.652 -9.142 -5.784 1.00 0.00 N ATOM 502 CA ALA A 33 -6.256 -9.576 -4.530 1.00 0.00 C ATOM 503 C ALA A 33 -7.450 -8.705 -4.163 1.00 0.00 C ATOM 504 O ALA A 33 -7.612 -7.602 -4.689 1.00 0.00 O ATOM 505 CB ALA A 33 -5.224 -9.564 -3.412 1.00 0.00 C ATOM 0 H ALA A 33 -5.564 -8.130 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.615 -10.596 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.691 -9.890 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.406 -10.239 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.835 -8.554 -3.287 1.00 0.00 H new ATOM 511 N LYS A 34 -8.285 -9.204 -3.257 1.00 0.00 N ATOM 512 CA LYS A 34 -9.473 -8.476 -2.826 1.00 0.00 C ATOM 513 C LYS A 34 -9.097 -7.221 -2.047 1.00 0.00 C ATOM 514 O LYS A 34 -8.064 -7.181 -1.377 1.00 0.00 O ATOM 515 CB LYS A 34 -10.371 -9.373 -1.975 1.00 0.00 C ATOM 516 CG LYS A 34 -11.003 -10.533 -2.733 1.00 0.00 C ATOM 517 CD LYS A 34 -11.906 -11.359 -1.831 1.00 0.00 C ATOM 518 CE LYS A 34 -12.535 -12.520 -2.588 1.00 0.00 C ATOM 519 NZ LYS A 34 -13.440 -13.323 -1.723 1.00 0.00 N ATOM 0 H LYS A 34 -8.160 -10.111 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.020 -8.172 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.785 -9.772 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.164 -8.765 -1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.580 -10.149 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.220 -11.169 -3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.330 -11.742 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.690 -10.724 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.095 -12.136 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.749 -13.162 -2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.847 -14.103 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.901 -13.711 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.205 -12.717 -1.364 1.00 0.00 H new ATOM 533 N ARG A 35 -9.941 -6.199 -2.139 1.00 0.00 N ATOM 534 CA ARG A 35 -9.688 -4.934 -1.461 1.00 0.00 C ATOM 535 C ARG A 35 -9.656 -5.117 0.052 1.00 0.00 C ATOM 536 O ARG A 35 -8.798 -4.559 0.737 1.00 0.00 O ATOM 537 CB ARG A 35 -10.679 -3.854 -1.870 1.00 0.00 C ATOM 538 CG ARG A 35 -10.495 -3.320 -3.281 1.00 0.00 C ATOM 539 CD ARG A 35 -11.507 -2.312 -3.692 1.00 0.00 C ATOM 540 NE ARG A 35 -11.369 -1.842 -5.060 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.215 -0.987 -5.665 1.00 0.00 C ATOM 542 NH1 ARG A 35 -13.281 -0.534 -5.041 1.00 0.00 N ATOM 543 NH2 ARG A 35 -11.962 -0.632 -6.912 1.00 0.00 N ATOM 0 H ARG A 35 -10.807 -6.223 -2.677 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.703 -4.593 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.689 -4.253 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.599 -3.023 -1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.503 -2.875 -3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.527 -4.156 -3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.501 -2.742 -3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.443 -1.457 -3.019 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.575 -2.184 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.476 -0.830 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.912 0.113 -5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.143 -1.004 -7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.586 0.014 -7.395 1.00 0.00 H new ATOM 557 N GLU A 36 -10.597 -5.899 0.568 1.00 0.00 N ATOM 558 CA GLU A 36 -10.682 -6.152 2.002 1.00 0.00 C ATOM 559 C GLU A 36 -9.448 -6.892 2.503 1.00 0.00 C ATOM 560 O GLU A 36 -8.926 -6.591 3.576 1.00 0.00 O ATOM 561 CB GLU A 36 -11.944 -6.952 2.331 1.00 0.00 C ATOM 562 CG GLU A 36 -13.242 -6.173 2.163 1.00 0.00 C ATOM 563 CD GLU A 36 -14.440 -7.058 2.367 1.00 0.00 C ATOM 564 OE1 GLU A 36 -14.259 -8.236 2.556 1.00 0.00 O ATOM 565 OE2 GLU A 36 -15.529 -6.540 2.445 1.00 0.00 O ATOM 0 H GLU A 36 -11.313 -6.369 0.014 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.732 -5.188 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.978 -7.834 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.877 -7.307 3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.270 -5.350 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.278 -5.732 1.167 1.00 0.00 H new ATOM 572 N VAL A 37 -8.988 -7.863 1.721 1.00 0.00 N ATOM 573 CA VAL A 37 -7.815 -8.649 2.086 1.00 0.00 C ATOM 574 C VAL A 37 -6.565 -7.781 2.140 1.00 0.00 C ATOM 575 O VAL A 37 -5.730 -7.932 3.033 1.00 0.00 O ATOM 576 CB VAL A 37 -7.581 -9.807 1.098 1.00 0.00 C ATOM 577 CG1 VAL A 37 -6.246 -10.482 1.376 1.00 0.00 C ATOM 578 CG2 VAL A 37 -8.715 -10.818 1.183 1.00 0.00 C ATOM 0 H VAL A 37 -9.410 -8.125 0.830 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.010 -9.062 3.076 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.558 -9.398 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.097 -11.298 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.441 -9.755 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.243 -10.877 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.533 -11.629 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.768 -11.221 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.658 -10.329 0.938 1.00 0.00 H new ATOM 588 N LEU A 38 -6.441 -6.870 1.179 1.00 0.00 N ATOM 589 CA LEU A 38 -5.319 -5.940 1.146 1.00 0.00 C ATOM 590 C LEU A 38 -5.407 -4.928 2.282 1.00 0.00 C ATOM 591 O LEU A 38 -4.391 -4.514 2.838 1.00 0.00 O ATOM 592 CB LEU A 38 -5.268 -5.220 -0.207 1.00 0.00 C ATOM 593 CG LEU A 38 -4.855 -6.096 -1.398 1.00 0.00 C ATOM 594 CD1 LEU A 38 -5.036 -5.328 -2.699 1.00 0.00 C ATOM 595 CD2 LEU A 38 -3.408 -6.537 -1.228 1.00 0.00 C ATOM 0 H LEU A 38 -7.105 -6.757 0.413 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.401 -6.513 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.251 -4.796 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.570 -4.386 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.489 -6.982 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.740 -5.958 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.082 -5.043 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.415 -4.432 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.115 -7.159 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.763 -5.659 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.308 -7.109 -0.305 1.00 0.00 H new ATOM 607 N LEU A 39 -6.629 -4.535 2.623 1.00 0.00 N ATOM 608 CA LEU A 39 -6.857 -3.595 3.713 1.00 0.00 C ATOM 609 C LEU A 39 -6.439 -4.193 5.051 1.00 0.00 C ATOM 610 O LEU A 39 -5.949 -3.486 5.933 1.00 0.00 O ATOM 611 CB LEU A 39 -8.330 -3.173 3.754 1.00 0.00 C ATOM 612 CG LEU A 39 -8.756 -2.182 2.663 1.00 0.00 C ATOM 613 CD1 LEU A 39 -10.270 -2.023 2.664 1.00 0.00 C ATOM 614 CD2 LEU A 39 -8.072 -0.843 2.897 1.00 0.00 C ATOM 0 H LEU A 39 -7.479 -4.854 2.158 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.243 -2.713 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.950 -4.066 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.537 -2.728 4.727 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.455 -2.563 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.562 -1.318 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.737 -2.989 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.596 -1.649 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.375 -0.139 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.360 -0.453 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.991 -0.976 2.864 1.00 0.00 H new ATOM 626 N VAL A 40 -6.635 -5.500 5.196 1.00 0.00 N ATOM 627 CA VAL A 40 -6.167 -6.217 6.374 1.00 0.00 C ATOM 628 C VAL A 40 -4.654 -6.115 6.519 1.00 0.00 C ATOM 629 O VAL A 40 -4.143 -5.811 7.595 1.00 0.00 O ATOM 630 CB VAL A 40 -6.568 -7.705 6.326 1.00 0.00 C ATOM 631 CG1 VAL A 40 -5.856 -8.484 7.422 1.00 0.00 C ATOM 632 CG2 VAL A 40 -8.075 -7.855 6.462 1.00 0.00 C ATOM 0 H VAL A 40 -7.115 -6.083 4.511 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.643 -5.748 7.235 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.266 -8.112 5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.151 -9.532 7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.778 -8.403 7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.129 -8.075 8.395 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.340 -8.912 6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.398 -7.432 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.568 -7.329 5.645 1.00 0.00 H new ATOM 642 N THR A 41 -3.942 -6.369 5.427 1.00 0.00 N ATOM 643 CA THR A 41 -2.487 -6.267 5.417 1.00 0.00 C ATOM 644 C THR A 41 -2.035 -4.832 5.653 1.00 0.00 C ATOM 645 O THR A 41 -1.093 -4.584 6.406 1.00 0.00 O ATOM 646 CB THR A 41 -1.893 -6.772 4.091 1.00 0.00 C ATOM 647 OG1 THR A 41 -2.209 -8.159 3.919 1.00 0.00 O ATOM 648 CG2 THR A 41 -0.382 -6.594 4.081 1.00 0.00 C ATOM 0 H THR A 41 -4.350 -6.648 4.535 1.00 0.00 H new ATOM 0 HA THR A 41 -2.123 -6.897 6.228 1.00 0.00 H new ATOM 0 HB THR A 41 -2.322 -6.192 3.274 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.831 -8.478 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.021 -6.957 3.135 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.139 -5.538 4.198 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.056 -7.160 4.903 1.00 0.00 H new ATOM 656 N LEU A 42 -2.711 -3.890 5.004 1.00 0.00 N ATOM 657 CA LEU A 42 -2.346 -2.481 5.101 1.00 0.00 C ATOM 658 C LEU A 42 -2.566 -1.952 6.512 1.00 0.00 C ATOM 659 O LEU A 42 -1.762 -1.173 7.024 1.00 0.00 O ATOM 660 CB LEU A 42 -3.151 -1.655 4.090 1.00 0.00 C ATOM 661 CG LEU A 42 -2.759 -1.856 2.621 1.00 0.00 C ATOM 662 CD1 LEU A 42 -3.806 -1.230 1.710 1.00 0.00 C ATOM 663 CD2 LEU A 42 -1.390 -1.242 2.372 1.00 0.00 C ATOM 0 H LEU A 42 -3.515 -4.077 4.405 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.285 -2.389 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.207 -1.900 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.040 -0.599 4.338 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.710 -2.922 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.518 -1.378 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.773 -1.700 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.878 -0.162 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.112 -1.385 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.423 -0.176 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.653 -1.725 3.013 1.00 0.00 H new ATOM 675 N THR A 43 -3.657 -2.378 7.137 1.00 0.00 N ATOM 676 CA THR A 43 -3.966 -1.974 8.502 1.00 0.00 C ATOM 677 C THR A 43 -2.966 -2.560 9.490 1.00 0.00 C ATOM 678 O THR A 43 -2.554 -1.893 10.440 1.00 0.00 O ATOM 679 CB THR A 43 -5.388 -2.404 8.911 1.00 0.00 C ATOM 680 OG1 THR A 43 -6.350 -1.719 8.098 1.00 0.00 O ATOM 681 CG2 THR A 43 -5.644 -2.078 10.375 1.00 0.00 C ATOM 0 H THR A 43 -4.344 -3.005 6.718 1.00 0.00 H new ATOM 0 HA THR A 43 -3.903 -0.886 8.528 1.00 0.00 H new ATOM 0 HB THR A 43 -5.481 -3.480 8.767 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.400 -2.149 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.653 -2.389 10.646 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.922 -2.607 10.997 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.541 -1.004 10.532 1.00 0.00 H new ATOM 689 N ARG A 44 -2.579 -3.810 9.262 1.00 0.00 N ATOM 690 CA ARG A 44 -1.587 -4.471 10.103 1.00 0.00 C ATOM 691 C ARG A 44 -0.233 -3.781 10.003 1.00 0.00 C ATOM 692 O ARG A 44 0.470 -3.626 11.001 1.00 0.00 O ATOM 693 CB ARG A 44 -1.479 -5.958 9.800 1.00 0.00 C ATOM 694 CG ARG A 44 -2.630 -6.803 10.326 1.00 0.00 C ATOM 695 CD ARG A 44 -2.519 -8.251 10.010 1.00 0.00 C ATOM 696 NE ARG A 44 -3.567 -9.074 10.589 1.00 0.00 N ATOM 697 CZ ARG A 44 -3.643 -10.414 10.468 1.00 0.00 C ATOM 698 NH1 ARG A 44 -2.760 -11.080 9.758 1.00 0.00 N ATOM 699 NH2 ARG A 44 -4.646 -11.039 11.059 1.00 0.00 N ATOM 0 H ARG A 44 -2.937 -4.387 8.501 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.930 -4.384 11.134 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.414 -6.090 8.720 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.548 -6.334 10.224 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.689 -6.683 11.408 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.564 -6.423 9.911 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.532 -8.376 8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.553 -8.614 10.361 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.297 -8.604 11.125 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.003 -10.583 9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.832 -12.094 9.676 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.337 -10.508 11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.730 -12.053 10.985 1.00 0.00 H new ATOM 713 N LEU A 45 0.128 -3.370 8.792 1.00 0.00 N ATOM 714 CA LEU A 45 1.338 -2.584 8.579 1.00 0.00 C ATOM 715 C LEU A 45 1.230 -1.217 9.242 1.00 0.00 C ATOM 716 O LEU A 45 2.200 -0.713 9.807 1.00 0.00 O ATOM 717 CB LEU A 45 1.612 -2.430 7.077 1.00 0.00 C ATOM 718 CG LEU A 45 2.034 -3.715 6.356 1.00 0.00 C ATOM 719 CD1 LEU A 45 2.091 -3.475 4.853 1.00 0.00 C ATOM 720 CD2 LEU A 45 3.387 -4.173 6.880 1.00 0.00 C ATOM 0 H LEU A 45 -0.400 -3.568 7.942 1.00 0.00 H new ATOM 0 HA LEU A 45 2.172 -3.114 9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.713 -2.042 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.394 -1.683 6.941 1.00 0.00 H new ATOM 0 HG LEU A 45 1.300 -4.498 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.392 -4.394 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.107 -3.170 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.815 -2.689 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.686 -5.087 6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.129 -3.396 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.317 -4.365 7.951 1.00 0.00 H new ATOM 732 N HIS A 46 0.045 -0.621 9.168 1.00 0.00 N ATOM 733 CA HIS A 46 -0.206 0.667 9.807 1.00 0.00 C ATOM 734 C HIS A 46 -0.002 0.583 11.313 1.00 0.00 C ATOM 735 O HIS A 46 0.612 1.462 11.917 1.00 0.00 O ATOM 736 CB HIS A 46 -1.624 1.157 9.496 1.00 0.00 C ATOM 737 CG HIS A 46 -1.958 2.472 10.129 1.00 0.00 C ATOM 738 ND1 HIS A 46 -1.438 3.667 9.679 1.00 0.00 N ATOM 739 CD2 HIS A 46 -2.757 2.779 11.178 1.00 0.00 C ATOM 740 CE1 HIS A 46 -1.905 4.654 10.423 1.00 0.00 C ATOM 741 NE2 HIS A 46 -2.705 4.142 11.339 1.00 0.00 N ATOM 0 H HIS A 46 -0.757 -1.009 8.672 1.00 0.00 H new ATOM 0 HA HIS A 46 0.511 1.382 9.404 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.740 1.244 8.416 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.340 0.408 9.835 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.328 2.083 11.775 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.672 5.702 10.302 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.205 4.673 12.052 1.00 0.00 H new ATOM 749 N GLN A 47 -0.520 -0.481 11.917 1.00 0.00 N ATOM 750 CA GLN A 47 -0.383 -0.690 13.354 1.00 0.00 C ATOM 751 C GLN A 47 1.055 -1.024 13.727 1.00 0.00 C ATOM 752 O GLN A 47 1.539 -0.634 14.790 1.00 0.00 O ATOM 753 CB GLN A 47 -1.314 -1.810 13.825 1.00 0.00 C ATOM 754 CG GLN A 47 -2.787 -1.440 13.820 1.00 0.00 C ATOM 755 CD GLN A 47 -3.678 -2.607 14.200 1.00 0.00 C ATOM 756 OE1 GLN A 47 -3.204 -3.726 14.407 1.00 0.00 O ATOM 757 NE2 GLN A 47 -4.979 -2.352 14.289 1.00 0.00 N ATOM 0 H GLN A 47 -1.039 -1.213 11.433 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.662 0.239 13.851 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.168 -2.681 13.186 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.028 -2.104 14.835 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.954 -0.617 14.515 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.065 -1.082 12.829 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.328 -1.410 14.109 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.629 -3.098 14.537 1.00 0.00 H new ATOM 766 N ARG A 48 1.735 -1.750 12.846 1.00 0.00 N ATOM 767 CA ARG A 48 3.129 -2.114 13.067 1.00 0.00 C ATOM 768 C ARG A 48 4.036 -0.891 13.001 1.00 0.00 C ATOM 769 O ARG A 48 5.075 -0.841 13.657 1.00 0.00 O ATOM 770 CB ARG A 48 3.596 -3.205 12.115 1.00 0.00 C ATOM 771 CG ARG A 48 3.073 -4.597 12.431 1.00 0.00 C ATOM 772 CD ARG A 48 3.419 -5.626 11.417 1.00 0.00 C ATOM 773 NE ARG A 48 2.913 -6.958 11.714 1.00 0.00 N ATOM 774 CZ ARG A 48 3.000 -8.011 10.879 1.00 0.00 C ATOM 775 NH1 ARG A 48 3.535 -7.888 9.685 1.00 0.00 N ATOM 776 NH2 ARG A 48 2.510 -9.170 11.284 1.00 0.00 N ATOM 0 H ARG A 48 1.342 -2.098 11.971 1.00 0.00 H new ATOM 0 HA ARG A 48 3.196 -2.525 14.074 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.291 -2.939 11.103 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.686 -3.232 12.123 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.468 -4.910 13.398 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.988 -4.551 12.529 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.029 -5.310 10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.504 -5.675 11.323 1.00 0.00 H new ATOM 0 HE ARG A 48 2.461 -7.104 12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.893 -6.984 9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.592 -8.697 9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.081 -9.248 12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.561 -9.986 10.674 1.00 0.00 H new ATOM 790 N GLY A 49 3.634 0.094 12.204 1.00 0.00 N ATOM 791 CA GLY A 49 4.404 1.323 12.060 1.00 0.00 C ATOM 792 C GLY A 49 5.246 1.299 10.790 1.00 0.00 C ATOM 793 O GLY A 49 6.275 1.969 10.705 1.00 0.00 O ATOM 0 H GLY A 49 2.779 0.064 11.648 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.728 2.178 12.036 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.052 1.453 12.927 1.00 0.00 H new ATOM 797 N VAL A 50 4.803 0.523 9.807 1.00 0.00 N ATOM 798 CA VAL A 50 5.500 0.434 8.530 1.00 0.00 C ATOM 799 C VAL A 50 4.992 1.481 7.549 1.00 0.00 C ATOM 800 O VAL A 50 5.778 2.172 6.901 1.00 0.00 O ATOM 801 CB VAL A 50 5.345 -0.964 7.898 1.00 0.00 C ATOM 802 CG1 VAL A 50 6.028 -1.013 6.541 1.00 0.00 C ATOM 803 CG2 VAL A 50 5.914 -2.032 8.820 1.00 0.00 C ATOM 0 H VAL A 50 3.964 -0.054 9.870 1.00 0.00 H new ATOM 0 HA VAL A 50 6.555 0.616 8.736 1.00 0.00 H new ATOM 0 HB VAL A 50 4.283 -1.162 7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.909 -2.007 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.577 -0.274 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.089 -0.794 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.796 -3.012 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.972 -1.837 8.993 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.382 -2.013 9.771 1.00 0.00 H new ATOM 813 N ILE A 51 3.672 1.597 7.446 1.00 0.00 N ATOM 814 CA ILE A 51 3.056 2.588 6.572 1.00 0.00 C ATOM 815 C ILE A 51 2.081 3.471 7.341 1.00 0.00 C ATOM 816 O ILE A 51 1.765 3.199 8.499 1.00 0.00 O ATOM 817 CB ILE A 51 2.316 1.923 5.397 1.00 0.00 C ATOM 818 CG1 ILE A 51 1.154 1.070 5.911 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.275 1.080 4.573 1.00 0.00 C ATOM 820 CD1 ILE A 51 0.286 0.495 4.816 1.00 0.00 C ATOM 0 H ILE A 51 3.008 1.016 7.958 1.00 0.00 H new ATOM 0 HA ILE A 51 3.864 3.204 6.177 1.00 0.00 H new ATOM 0 HB ILE A 51 1.910 2.706 4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.554 0.253 6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.535 1.677 6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.735 0.617 3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.069 1.714 4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.710 0.303 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.515 -0.097 5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.145 1.306 4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.890 -0.140 4.168 1.00 0.00 H new ATOM 832 N TYR A 52 1.605 4.527 6.689 1.00 0.00 N ATOM 833 CA TYR A 52 0.535 5.348 7.239 1.00 0.00 C ATOM 834 C TYR A 52 -0.500 5.689 6.175 1.00 0.00 C ATOM 835 O TYR A 52 -0.269 5.486 4.984 1.00 0.00 O ATOM 836 CB TYR A 52 1.104 6.632 7.848 1.00 0.00 C ATOM 837 CG TYR A 52 1.542 7.655 6.823 1.00 0.00 C ATOM 838 CD1 TYR A 52 2.810 7.602 6.264 1.00 0.00 C ATOM 839 CD2 TYR A 52 0.689 8.671 6.420 1.00 0.00 C ATOM 840 CE1 TYR A 52 3.216 8.533 5.328 1.00 0.00 C ATOM 841 CE2 TYR A 52 1.083 9.608 5.485 1.00 0.00 C ATOM 842 CZ TYR A 52 2.349 9.534 4.940 1.00 0.00 C ATOM 843 OH TYR A 52 2.749 10.465 4.009 1.00 0.00 O ATOM 0 H TYR A 52 1.945 4.834 5.778 1.00 0.00 H new ATOM 0 HA TYR A 52 0.042 4.772 8.022 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.350 7.080 8.495 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.955 6.377 8.479 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.491 6.820 6.565 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.302 8.731 6.845 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.207 8.478 4.902 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.406 10.393 5.183 1.00 0.00 H new ATOM 0 HH TYR A 52 3.134 10.007 3.233 1.00 0.00 H new ATOM 853 N ARG A 53 -1.643 6.207 6.614 1.00 0.00 N ATOM 854 CA ARG A 53 -2.770 6.443 5.719 1.00 0.00 C ATOM 855 C ARG A 53 -3.423 7.790 5.999 1.00 0.00 C ATOM 856 O ARG A 53 -3.402 8.277 7.130 1.00 0.00 O ATOM 857 CB ARG A 53 -3.786 5.311 5.764 1.00 0.00 C ATOM 858 CG ARG A 53 -4.414 5.069 7.127 1.00 0.00 C ATOM 859 CD ARG A 53 -5.113 3.766 7.258 1.00 0.00 C ATOM 860 NE ARG A 53 -5.710 3.530 8.563 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.128 2.328 9.005 1.00 0.00 C ATOM 862 NH1 ARG A 53 -6.053 1.260 8.242 1.00 0.00 N ATOM 863 NH2 ARG A 53 -6.639 2.255 10.223 1.00 0.00 N ATOM 0 H ARG A 53 -1.813 6.471 7.584 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.373 6.469 4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.579 5.525 5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.300 4.392 5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.636 5.128 7.888 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.123 5.870 7.334 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.894 3.709 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.404 2.965 7.046 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.820 4.330 9.187 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.673 1.333 7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.374 0.358 8.594 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.708 3.094 10.798 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.964 1.359 10.587 1.00 0.00 H new ATOM 877 N LYS A 54 -4.002 8.388 4.963 1.00 0.00 N ATOM 878 CA LYS A 54 -4.658 9.683 5.095 1.00 0.00 C ATOM 879 C LYS A 54 -5.630 9.928 3.948 1.00 0.00 C ATOM 880 O LYS A 54 -5.514 9.321 2.883 1.00 0.00 O ATOM 881 CB LYS A 54 -3.620 10.807 5.153 1.00 0.00 C ATOM 882 CG LYS A 54 -2.807 10.978 3.877 1.00 0.00 C ATOM 883 CD LYS A 54 -1.823 12.132 4.000 1.00 0.00 C ATOM 884 CE LYS A 54 -0.991 12.287 2.736 1.00 0.00 C ATOM 885 NZ LYS A 54 -0.037 13.426 2.833 1.00 0.00 N ATOM 0 H LYS A 54 -4.030 7.996 4.022 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.224 9.675 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.130 11.745 5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.938 10.613 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.266 10.057 3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.478 11.157 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.366 13.056 4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.165 11.962 4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.438 11.366 2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.652 12.439 1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.510 13.497 1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.565 14.309 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.611 13.269 3.631 1.00 0.00 H new ATOM 899 N TRP A 55 -6.588 10.822 4.171 1.00 0.00 N ATOM 900 CA TRP A 55 -7.605 11.120 3.170 1.00 0.00 C ATOM 901 C TRP A 55 -7.238 12.358 2.363 1.00 0.00 C ATOM 902 O TRP A 55 -7.204 13.469 2.891 1.00 0.00 O ATOM 903 CB TRP A 55 -8.968 11.315 3.838 1.00 0.00 C ATOM 904 CG TRP A 55 -9.532 10.057 4.425 1.00 0.00 C ATOM 905 CD1 TRP A 55 -9.299 9.565 5.674 1.00 0.00 C ATOM 906 CD2 TRP A 55 -10.422 9.133 3.788 1.00 0.00 C ATOM 907 NE1 TRP A 55 -9.988 8.392 5.856 1.00 0.00 N ATOM 908 CE2 TRP A 55 -10.688 8.106 4.711 1.00 0.00 C ATOM 909 CE3 TRP A 55 -11.023 9.077 2.524 1.00 0.00 C ATOM 910 CZ2 TRP A 55 -11.520 7.038 4.415 1.00 0.00 C ATOM 911 CZ3 TRP A 55 -11.858 8.007 2.228 1.00 0.00 C ATOM 912 CH2 TRP A 55 -12.100 7.016 3.146 1.00 0.00 C ATOM 0 H TRP A 55 -6.681 11.353 5.037 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.660 10.272 2.487 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.874 12.063 4.625 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -9.670 11.711 3.104 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.664 10.030 6.414 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.981 7.825 6.704 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -10.841 9.851 1.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.711 6.256 5.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -12.326 7.954 1.256 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -12.755 6.200 2.880 1.00 0.00 H new ATOM 923 N ARG A 56 -6.962 12.159 1.078 1.00 0.00 N ATOM 924 CA ARG A 56 -6.614 13.262 0.189 1.00 0.00 C ATOM 925 C ARG A 56 -7.773 13.613 -0.734 1.00 0.00 C ATOM 926 O ARG A 56 -8.334 12.741 -1.400 1.00 0.00 O ATOM 927 CB ARG A 56 -5.341 12.986 -0.596 1.00 0.00 C ATOM 928 CG ARG A 56 -4.946 14.077 -1.579 1.00 0.00 C ATOM 929 CD ARG A 56 -3.637 13.860 -2.244 1.00 0.00 C ATOM 930 NE ARG A 56 -3.586 12.689 -3.105 1.00 0.00 N ATOM 931 CZ ARG A 56 -3.964 12.671 -4.397 1.00 0.00 C ATOM 932 NH1 ARG A 56 -4.456 13.746 -4.972 1.00 0.00 N ATOM 933 NH2 ARG A 56 -3.851 11.537 -5.067 1.00 0.00 N ATOM 0 H ARG A 56 -6.973 11.243 0.629 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.414 14.129 0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.522 12.838 0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.464 12.051 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.719 14.157 -2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.918 15.031 -1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.394 14.742 -2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.866 13.767 -1.479 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.239 11.819 -2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.556 14.609 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.738 13.717 -5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.485 10.705 -4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.130 11.494 -6.047 1.00 0.00 H new ATOM 947 N HIS A 57 -8.130 14.892 -0.769 1.00 0.00 N ATOM 948 CA HIS A 57 -9.199 15.365 -1.640 1.00 0.00 C ATOM 949 C HIS A 57 -8.778 15.322 -3.103 1.00 0.00 C ATOM 950 O HIS A 57 -7.681 15.754 -3.457 1.00 0.00 O ATOM 951 CB HIS A 57 -9.618 16.790 -1.258 1.00 0.00 C ATOM 952 CG HIS A 57 -10.868 17.252 -1.937 1.00 0.00 C ATOM 953 ND1 HIS A 57 -10.871 17.775 -3.213 1.00 0.00 N ATOM 954 CD2 HIS A 57 -12.156 17.271 -1.518 1.00 0.00 C ATOM 955 CE1 HIS A 57 -12.109 18.096 -3.550 1.00 0.00 C ATOM 956 NE2 HIS A 57 -12.907 17.800 -2.539 1.00 0.00 N ATOM 0 H HIS A 57 -7.694 15.620 -0.204 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.051 14.698 -1.508 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.762 16.840 -0.179 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.807 17.476 -1.504 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -12.524 16.933 -0.560 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -12.416 18.527 -4.492 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -13.917 17.941 -2.520 1.00 0.00 H new ATOM 964 N PHE A 58 -9.657 14.797 -3.949 1.00 0.00 N ATOM 965 CA PHE A 58 -9.358 14.649 -5.369 1.00 0.00 C ATOM 966 C PHE A 58 -10.636 14.571 -6.195 1.00 0.00 C ATOM 967 O PHE A 58 -11.458 13.676 -6.002 1.00 0.00 O ATOM 968 CB PHE A 58 -8.500 13.406 -5.609 1.00 0.00 C ATOM 969 CG PHE A 58 -8.093 13.217 -7.042 1.00 0.00 C ATOM 970 CD1 PHE A 58 -7.131 14.034 -7.619 1.00 0.00 C ATOM 971 CD2 PHE A 58 -8.670 12.223 -7.819 1.00 0.00 C ATOM 972 CE1 PHE A 58 -6.756 13.862 -8.937 1.00 0.00 C ATOM 973 CE2 PHE A 58 -8.296 12.048 -9.135 1.00 0.00 C ATOM 974 CZ PHE A 58 -7.337 12.869 -9.696 1.00 0.00 C ATOM 0 H PHE A 58 -10.583 14.467 -3.676 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.800 15.530 -5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.604 13.470 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.052 12.526 -5.279 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.670 14.813 -7.030 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.421 11.578 -7.388 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.007 14.506 -9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.753 11.269 -9.727 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.043 12.733 -10.726 1.00 0.00 H new ATOM 984 N SER A 59 -10.797 15.515 -7.119 1.00 0.00 N ATOM 985 CA SER A 59 -11.927 15.502 -8.038 1.00 0.00 C ATOM 986 C SER A 59 -13.251 15.527 -7.284 1.00 0.00 C ATOM 987 O SER A 59 -14.232 14.920 -7.711 1.00 0.00 O ATOM 988 CB SER A 59 -11.856 14.285 -8.937 1.00 0.00 C ATOM 989 OG SER A 59 -10.693 14.275 -9.720 1.00 0.00 O ATOM 0 H SER A 59 -10.157 16.299 -7.250 1.00 0.00 H new ATOM 0 HA SER A 59 -11.874 16.401 -8.653 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.890 13.382 -8.327 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.731 14.264 -9.587 1.00 0.00 H new ATOM 0 HG SER A 59 -10.070 13.603 -9.372 1.00 0.00 H new ATOM 995 N GLY A 60 -13.272 16.235 -6.159 1.00 0.00 N ATOM 996 CA GLY A 60 -14.514 16.500 -5.444 1.00 0.00 C ATOM 997 C GLY A 60 -14.731 15.490 -4.325 1.00 0.00 C ATOM 998 O GLY A 60 -15.622 15.655 -3.491 1.00 0.00 O ATOM 0 H GLY A 60 -12.441 16.636 -5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.490 17.507 -5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.352 16.462 -6.139 1.00 0.00 H new ATOM 1002 N ARG A 61 -13.914 14.443 -4.312 1.00 0.00 N ATOM 1003 CA ARG A 61 -14.058 13.369 -3.335 1.00 0.00 C ATOM 1004 C ARG A 61 -12.729 13.051 -2.666 1.00 0.00 C ATOM 1005 O ARG A 61 -11.673 13.120 -3.296 1.00 0.00 O ATOM 1006 CB ARG A 61 -14.688 12.123 -3.941 1.00 0.00 C ATOM 1007 CG ARG A 61 -16.125 12.296 -4.410 1.00 0.00 C ATOM 1008 CD ARG A 61 -16.724 11.078 -5.010 1.00 0.00 C ATOM 1009 NE ARG A 61 -18.094 11.243 -5.469 1.00 0.00 N ATOM 1010 CZ ARG A 61 -18.811 10.290 -6.095 1.00 0.00 C ATOM 1011 NH1 ARG A 61 -18.284 9.117 -6.372 1.00 0.00 N ATOM 1012 NH2 ARG A 61 -20.054 10.573 -6.446 1.00 0.00 N ATOM 0 H ARG A 61 -13.144 14.315 -4.968 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.742 13.726 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.081 11.801 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.656 11.322 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.736 12.607 -3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.161 13.103 -5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.108 10.762 -5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.695 10.274 -4.275 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.544 12.144 -5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.318 8.918 -6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.841 8.407 -6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.445 11.493 -6.241 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.622 9.872 -6.922 1.00 0.00 H new ATOM 1026 N LYS A 62 -12.785 12.704 -1.385 1.00 0.00 N ATOM 1027 CA LYS A 62 -11.590 12.323 -0.641 1.00 0.00 C ATOM 1028 C LYS A 62 -11.332 10.825 -0.744 1.00 0.00 C ATOM 1029 O LYS A 62 -12.253 10.017 -0.629 1.00 0.00 O ATOM 1030 CB LYS A 62 -11.720 12.733 0.828 1.00 0.00 C ATOM 1031 CG LYS A 62 -11.690 14.237 1.065 1.00 0.00 C ATOM 1032 CD LYS A 62 -11.841 14.568 2.542 1.00 0.00 C ATOM 1033 CE LYS A 62 -11.843 16.072 2.778 1.00 0.00 C ATOM 1034 NZ LYS A 62 -12.007 16.409 4.217 1.00 0.00 N ATOM 0 H LYS A 62 -13.646 12.679 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.742 12.847 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.654 12.334 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.911 12.272 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.751 14.647 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.492 14.712 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.769 14.138 2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.026 14.111 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.910 16.498 2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.650 16.528 2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.003 17.442 4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.909 16.025 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.223 15.996 4.762 1.00 0.00 H new ATOM 1048 N TYR A 63 -10.072 10.461 -0.963 1.00 0.00 N ATOM 1049 CA TYR A 63 -9.687 9.059 -1.064 1.00 0.00 C ATOM 1050 C TYR A 63 -8.535 8.735 -0.121 1.00 0.00 C ATOM 1051 O TYR A 63 -7.582 9.503 -0.002 1.00 0.00 O ATOM 1052 CB TYR A 63 -9.299 8.713 -2.503 1.00 0.00 C ATOM 1053 CG TYR A 63 -8.833 7.287 -2.688 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -9.744 6.243 -2.761 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -7.483 6.988 -2.788 1.00 0.00 C ATOM 1056 CE1 TYR A 63 -9.324 4.937 -2.929 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -7.051 5.686 -2.955 1.00 0.00 C ATOM 1058 CZ TYR A 63 -7.974 4.664 -3.026 1.00 0.00 C ATOM 1059 OH TYR A 63 -7.549 3.365 -3.193 1.00 0.00 O ATOM 0 H TYR A 63 -9.300 11.119 -1.074 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.547 8.456 -0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.156 8.892 -3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.507 9.388 -2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.800 6.455 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.757 7.786 -2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.046 4.136 -2.984 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.995 5.470 -3.030 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.494 3.159 -4.150 1.00 0.00 H new ATOM 1069 N ARG A 64 -8.631 7.591 0.549 1.00 0.00 N ATOM 1070 CA ARG A 64 -7.608 7.173 1.500 1.00 0.00 C ATOM 1071 C ARG A 64 -6.426 6.526 0.790 1.00 0.00 C ATOM 1072 O ARG A 64 -6.576 5.510 0.111 1.00 0.00 O ATOM 1073 CB ARG A 64 -8.169 6.265 2.585 1.00 0.00 C ATOM 1074 CG ARG A 64 -7.305 6.146 3.829 1.00 0.00 C ATOM 1075 CD ARG A 64 -7.949 5.423 4.956 1.00 0.00 C ATOM 1076 NE ARG A 64 -8.115 3.994 4.738 1.00 0.00 N ATOM 1077 CZ ARG A 64 -8.933 3.203 5.460 1.00 0.00 C ATOM 1078 NH1 ARG A 64 -9.629 3.682 6.465 1.00 0.00 N ATOM 1079 NH2 ARG A 64 -8.997 1.921 5.142 1.00 0.00 N ATOM 0 H ARG A 64 -9.407 6.937 0.451 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.247 8.074 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.152 6.636 2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.316 5.270 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.379 5.634 3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.032 7.147 4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.353 5.574 5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.927 5.865 5.144 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.576 3.562 3.988 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.556 4.669 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.243 3.067 6.999 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.437 1.558 4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.606 1.295 5.668 1.00 0.00 H new ATOM 1093 N GLU A 65 -5.249 7.122 0.948 1.00 0.00 N ATOM 1094 CA GLU A 65 -4.037 6.602 0.327 1.00 0.00 C ATOM 1095 C GLU A 65 -3.060 6.084 1.375 1.00 0.00 C ATOM 1096 O GLU A 65 -3.101 6.497 2.534 1.00 0.00 O ATOM 1097 CB GLU A 65 -3.366 7.680 -0.528 1.00 0.00 C ATOM 1098 CG GLU A 65 -4.234 8.213 -1.659 1.00 0.00 C ATOM 1099 CD GLU A 65 -3.501 9.248 -2.469 1.00 0.00 C ATOM 1100 OE1 GLU A 65 -2.978 10.168 -1.887 1.00 0.00 O ATOM 1101 OE2 GLU A 65 -3.367 9.060 -3.655 1.00 0.00 O ATOM 0 H GLU A 65 -5.109 7.967 1.502 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.324 5.769 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.078 8.511 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.448 7.272 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.538 7.390 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.145 8.648 -1.247 1.00 0.00 H new ATOM 1108 N TYR A 66 -2.182 5.176 0.961 1.00 0.00 N ATOM 1109 CA TYR A 66 -1.222 4.567 1.873 1.00 0.00 C ATOM 1110 C TYR A 66 0.210 4.848 1.435 1.00 0.00 C ATOM 1111 O TYR A 66 0.537 4.752 0.253 1.00 0.00 O ATOM 1112 CB TYR A 66 -1.456 3.057 1.966 1.00 0.00 C ATOM 1113 CG TYR A 66 -2.778 2.681 2.599 1.00 0.00 C ATOM 1114 CD1 TYR A 66 -3.959 2.741 1.872 1.00 0.00 C ATOM 1115 CD2 TYR A 66 -2.840 2.264 3.921 1.00 0.00 C ATOM 1116 CE1 TYR A 66 -5.168 2.397 2.446 1.00 0.00 C ATOM 1117 CE2 TYR A 66 -4.043 1.917 4.504 1.00 0.00 C ATOM 1118 CZ TYR A 66 -5.206 1.985 3.762 1.00 0.00 C ATOM 1119 OH TYR A 66 -6.408 1.641 4.337 1.00 0.00 O ATOM 0 H TYR A 66 -2.116 4.846 -0.002 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.370 5.011 2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.409 2.629 0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.647 2.608 2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.933 3.062 0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.932 2.210 4.504 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.078 2.450 1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.074 1.594 5.534 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.260 1.373 5.268 1.00 0.00 H new ATOM 1129 N CYS A 67 1.060 5.193 2.396 1.00 0.00 N ATOM 1130 CA CYS A 67 2.412 5.650 2.094 1.00 0.00 C ATOM 1131 C CYS A 67 3.418 5.086 3.088 1.00 0.00 C ATOM 1132 O CYS A 67 3.130 4.970 4.280 1.00 0.00 O ATOM 1133 CB CYS A 67 2.297 7.167 2.246 1.00 0.00 C ATOM 1134 SG CYS A 67 3.829 8.071 1.918 1.00 0.00 S ATOM 0 H CYS A 67 0.837 5.165 3.391 1.00 0.00 H new ATOM 0 HA CYS A 67 2.762 5.334 1.111 1.00 0.00 H new ATOM 0 HB2 CYS A 67 1.524 7.530 1.569 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.966 7.394 3.259 1.00 0.00 H new ATOM 0 HG CYS A 67 4.588 7.368 1.131 1.00 0.00 H new ATOM 1140 N LEU A 68 4.600 4.736 2.592 1.00 0.00 N ATOM 1141 CA LEU A 68 5.621 4.104 3.419 1.00 0.00 C ATOM 1142 C LEU A 68 6.279 5.113 4.351 1.00 0.00 C ATOM 1143 O LEU A 68 6.645 6.212 3.932 1.00 0.00 O ATOM 1144 CB LEU A 68 6.676 3.428 2.534 1.00 0.00 C ATOM 1145 CG LEU A 68 7.659 2.512 3.274 1.00 0.00 C ATOM 1146 CD1 LEU A 68 6.914 1.339 3.895 1.00 0.00 C ATOM 1147 CD2 LEU A 68 8.723 2.021 2.305 1.00 0.00 C ATOM 0 H LEU A 68 4.875 4.880 1.620 1.00 0.00 H new ATOM 0 HA LEU A 68 5.136 3.346 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.165 2.843 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.244 4.202 2.017 1.00 0.00 H new ATOM 0 HG LEU A 68 8.144 3.071 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.621 0.695 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.172 1.712 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.415 0.769 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.422 1.370 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.249 1.466 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.262 2.874 1.893 1.00 0.00 H new