USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 676 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 79 THR OG1 : rot 150:sc= 0 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -10.1! C(o=-10!,f=-9.5!) USER MOD Set 2.1: A 68 CYS SG : rot -31:sc= -2.68! USER MOD Set 2.2: A 74 THR OG1 : rot 66:sc= 0.411 USER MOD Set 3.1: A 38 SER OG : rot -89:sc= 1.74 USER MOD Set 3.2: A 40 CYS SG : rot -120:sc= 0.837 USER MOD Set 3.3: A 42 SER OG : rot 58:sc= 1.21 USER MOD Single : A 3 THR OG1 : rot 43:sc= 0.0585 USER MOD Single : A 8 HIS : no HD1:sc= -10.6! C(o=-11!,f=-20!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -139:sc= -0.0902 (180deg=-0.594) USER MOD Single : A 23 GLN : amide:sc= -3.36! C(o=-3.4!,f=-3.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-0.00867 K(o=-0.0087,f=-1.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= -0.0957 (180deg=-1.02) USER MOD Single : A 36 LYS NZ :NH3+ -141:sc= -0.121 (180deg=-1.24) USER MOD Single : A 37 HIS : no HD1:sc= -0.0711 X(o=-0.071,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0146) USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= -0.0224 (180deg=-0.422) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 30:sc= 1.22 USER MOD Single : A 87 LYS NZ :NH3+ 147:sc= -0.0376 (180deg=-0.61) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 -16.083 -1.146 0.718 1.00 0.00 N ATOM 36 CA THR A 3 -15.062 -1.652 1.681 1.00 0.00 C ATOM 37 C THR A 3 -14.073 -2.589 0.980 1.00 0.00 C ATOM 38 O THR A 3 -14.455 -3.437 0.197 1.00 0.00 O ATOM 39 CB THR A 3 -15.861 -2.417 2.737 1.00 0.00 C ATOM 40 OG1 THR A 3 -16.645 -1.503 3.491 1.00 0.00 O ATOM 41 CG2 THR A 3 -14.899 -3.159 3.667 1.00 0.00 C ATOM 0 HA THR A 3 -14.474 -0.842 2.113 1.00 0.00 H new ATOM 0 HB THR A 3 -16.516 -3.137 2.247 1.00 0.00 H new ATOM 0 HG1 THR A 3 -17.056 -0.849 2.888 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.468 -3.704 4.420 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.300 -3.861 3.086 1.00 0.00 H new ATOM 0 HG23 THR A 3 -14.242 -2.441 4.159 1.00 0.00 H new ATOM 49 N ALA A 4 -12.809 -2.482 1.295 1.00 0.00 N ATOM 50 CA ALA A 4 -11.808 -3.409 0.692 1.00 0.00 C ATOM 51 C ALA A 4 -10.732 -3.761 1.722 1.00 0.00 C ATOM 52 O ALA A 4 -10.472 -3.005 2.638 1.00 0.00 O ATOM 53 CB ALA A 4 -11.196 -2.628 -0.472 1.00 0.00 C ATOM 0 H ALA A 4 -12.427 -1.793 1.943 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.257 -4.346 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.447 -3.244 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.978 -2.363 -1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -10.726 -1.720 -0.094 1.00 0.00 H new ATOM 59 N ALA A 5 -10.037 -4.850 1.523 1.00 0.00 N ATOM 60 CA ALA A 5 -8.901 -5.182 2.428 1.00 0.00 C ATOM 61 C ALA A 5 -7.603 -4.662 1.814 1.00 0.00 C ATOM 62 O ALA A 5 -7.360 -4.841 0.638 1.00 0.00 O ATOM 63 CB ALA A 5 -8.885 -6.708 2.509 1.00 0.00 C ATOM 0 H ALA A 5 -10.207 -5.522 0.774 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.002 -4.733 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.072 -7.029 3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.834 -7.061 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.737 -7.124 1.512 1.00 0.00 H new ATOM 69 N ALA A 6 -6.878 -3.846 2.527 1.00 0.00 N ATOM 70 CA ALA A 6 -5.743 -3.135 1.870 1.00 0.00 C ATOM 71 C ALA A 6 -4.494 -3.118 2.752 1.00 0.00 C ATOM 72 O ALA A 6 -4.528 -2.692 3.890 1.00 0.00 O ATOM 73 CB ALA A 6 -6.253 -1.716 1.650 1.00 0.00 C ATOM 0 H ALA A 6 -7.016 -3.642 3.517 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.447 -3.629 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.477 -1.121 1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.138 -1.742 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.510 -1.269 2.610 1.00 0.00 H new ATOM 79 N LEU A 7 -3.363 -3.402 2.166 1.00 0.00 N ATOM 80 CA LEU A 7 -2.073 -3.207 2.888 1.00 0.00 C ATOM 81 C LEU A 7 -1.321 -2.021 2.274 1.00 0.00 C ATOM 82 O LEU A 7 -1.316 -1.842 1.074 1.00 0.00 O ATOM 83 CB LEU A 7 -1.303 -4.509 2.672 1.00 0.00 C ATOM 84 CG LEU A 7 -2.121 -5.676 3.227 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.262 -6.941 3.244 1.00 0.00 C ATOM 86 CD2 LEU A 7 -2.580 -5.348 4.648 1.00 0.00 C ATOM 0 H LEU A 7 -3.276 -3.762 1.215 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.207 -2.991 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.109 -4.658 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.334 -4.459 3.169 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.993 -5.841 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.846 -7.772 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.939 -7.175 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.388 -6.779 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.163 -6.180 5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.709 -5.181 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.195 -4.448 4.633 1.00 0.00 H new ATOM 98 N HIS A 8 -0.746 -1.171 3.082 1.00 0.00 N ATOM 99 CA HIS A 8 -0.076 0.039 2.516 1.00 0.00 C ATOM 100 C HIS A 8 1.331 0.205 3.090 1.00 0.00 C ATOM 101 O HIS A 8 1.511 0.304 4.287 1.00 0.00 O ATOM 102 CB HIS A 8 -0.954 1.223 2.933 1.00 0.00 C ATOM 103 CG HIS A 8 -2.368 0.987 2.483 1.00 0.00 C ATOM 104 ND1 HIS A 8 -3.460 1.349 3.257 1.00 0.00 N ATOM 105 CD2 HIS A 8 -2.885 0.434 1.340 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.569 1.012 2.575 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.276 0.450 1.399 1.00 0.00 N ATOM 0 H HIS A 8 -0.710 -1.258 4.098 1.00 0.00 H new ATOM 0 HA HIS A 8 0.031 -0.037 1.434 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.923 1.348 4.015 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.571 2.144 2.494 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.302 0.045 0.518 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.574 1.176 2.934 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.930 0.107 0.696 1.00 0.00 H new ATOM 115 N ILE A 9 2.297 0.441 2.244 1.00 0.00 N ATOM 116 CA ILE A 9 3.640 0.835 2.756 1.00 0.00 C ATOM 117 C ILE A 9 3.998 2.229 2.236 1.00 0.00 C ATOM 118 O ILE A 9 3.934 2.493 1.052 1.00 0.00 O ATOM 119 CB ILE A 9 4.619 -0.197 2.200 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.230 -1.596 2.678 1.00 0.00 C ATOM 121 CG2 ILE A 9 6.031 0.132 2.691 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.116 -2.631 1.980 1.00 0.00 C ATOM 0 H ILE A 9 2.216 0.379 1.229 1.00 0.00 H new ATOM 0 HA ILE A 9 3.667 0.865 3.845 1.00 0.00 H new ATOM 0 HB ILE A 9 4.590 -0.170 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.347 -1.669 3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.180 -1.790 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.734 -0.602 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.314 1.127 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.053 0.106 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.843 -3.631 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.976 -2.561 0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.161 -2.439 2.224 1.00 0.00 H new ATOM 134 N LEU A 10 4.407 3.109 3.106 1.00 0.00 N ATOM 135 CA LEU A 10 4.811 4.471 2.656 1.00 0.00 C ATOM 136 C LEU A 10 6.325 4.640 2.802 1.00 0.00 C ATOM 137 O LEU A 10 6.872 4.514 3.880 1.00 0.00 O ATOM 138 CB LEU A 10 4.061 5.432 3.586 1.00 0.00 C ATOM 139 CG LEU A 10 4.455 6.884 3.279 1.00 0.00 C ATOM 140 CD1 LEU A 10 5.829 7.181 3.884 1.00 0.00 C ATOM 141 CD2 LEU A 10 4.505 7.105 1.764 1.00 0.00 C ATOM 0 H LEU A 10 4.479 2.944 4.110 1.00 0.00 H new ATOM 0 HA LEU A 10 4.572 4.655 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.986 5.305 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.291 5.197 4.625 1.00 0.00 H new ATOM 0 HG LEU A 10 3.712 7.553 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.108 8.212 3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.790 7.037 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.569 6.506 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.785 8.138 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.241 6.433 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.524 6.902 1.334 1.00 0.00 H new ATOM 153 N VAL A 11 7.010 4.908 1.724 1.00 0.00 N ATOM 154 CA VAL A 11 8.496 5.063 1.811 1.00 0.00 C ATOM 155 C VAL A 11 8.874 6.544 1.741 1.00 0.00 C ATOM 156 O VAL A 11 8.441 7.268 0.867 1.00 0.00 O ATOM 157 CB VAL A 11 9.083 4.312 0.609 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.568 4.048 0.862 1.00 0.00 C ATOM 159 CG2 VAL A 11 8.363 2.972 0.407 1.00 0.00 C ATOM 0 H VAL A 11 6.612 5.026 0.792 1.00 0.00 H new ATOM 0 HA VAL A 11 8.881 4.666 2.751 1.00 0.00 H new ATOM 0 HB VAL A 11 8.953 4.921 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.993 3.514 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.089 4.996 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.682 3.445 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.793 2.454 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.481 2.357 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.303 3.152 0.228 1.00 0.00 H new ATOM 169 N LYS A 12 9.667 6.998 2.669 1.00 0.00 N ATOM 170 CA LYS A 12 10.069 8.435 2.680 1.00 0.00 C ATOM 171 C LYS A 12 10.983 8.757 1.495 1.00 0.00 C ATOM 172 O LYS A 12 10.930 9.835 0.937 1.00 0.00 O ATOM 173 CB LYS A 12 10.820 8.627 3.998 1.00 0.00 C ATOM 174 CG LYS A 12 11.281 10.080 4.111 1.00 0.00 C ATOM 175 CD LYS A 12 12.032 10.276 5.428 1.00 0.00 C ATOM 176 CE LYS A 12 12.504 11.727 5.533 1.00 0.00 C ATOM 177 NZ LYS A 12 12.869 11.906 6.967 1.00 0.00 N ATOM 0 H LYS A 12 10.057 6.435 3.425 1.00 0.00 H new ATOM 0 HA LYS A 12 9.206 9.096 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.174 8.372 4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.679 7.957 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.927 10.334 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.422 10.750 4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.383 10.031 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.886 9.600 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.358 11.913 4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.718 12.421 5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.203 12.879 7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.035 11.728 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.624 11.236 7.219 1.00 0.00 H new ATOM 191 N GLU A 13 11.887 7.873 1.167 1.00 0.00 N ATOM 192 CA GLU A 13 12.871 8.189 0.092 1.00 0.00 C ATOM 193 C GLU A 13 12.752 7.187 -1.058 1.00 0.00 C ATOM 194 O GLU A 13 12.487 6.018 -0.857 1.00 0.00 O ATOM 195 CB GLU A 13 14.243 8.091 0.763 1.00 0.00 C ATOM 196 CG GLU A 13 14.464 6.671 1.285 1.00 0.00 C ATOM 197 CD GLU A 13 15.838 6.584 1.952 1.00 0.00 C ATOM 198 OE1 GLU A 13 16.634 7.485 1.743 1.00 0.00 O ATOM 199 OE2 GLU A 13 16.070 5.620 2.662 1.00 0.00 O ATOM 0 H GLU A 13 11.986 6.952 1.594 1.00 0.00 H new ATOM 0 HA GLU A 13 12.703 9.175 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.026 8.352 0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.308 8.805 1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.683 6.408 1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.399 5.956 0.465 1.00 0.00 H new ATOM 206 N GLU A 14 12.867 7.662 -2.267 1.00 0.00 N ATOM 207 CA GLU A 14 12.675 6.774 -3.450 1.00 0.00 C ATOM 208 C GLU A 14 13.686 5.622 -3.440 1.00 0.00 C ATOM 209 O GLU A 14 13.378 4.517 -3.840 1.00 0.00 O ATOM 210 CB GLU A 14 12.904 7.680 -4.661 1.00 0.00 C ATOM 211 CG GLU A 14 11.670 8.561 -4.888 1.00 0.00 C ATOM 212 CD GLU A 14 11.938 9.520 -6.049 1.00 0.00 C ATOM 213 OE1 GLU A 14 13.078 9.597 -6.477 1.00 0.00 O ATOM 214 OE2 GLU A 14 11.000 10.165 -6.487 1.00 0.00 O ATOM 0 H GLU A 14 13.087 8.633 -2.489 1.00 0.00 H new ATOM 0 HA GLU A 14 11.687 6.315 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.783 8.304 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.100 7.076 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.801 7.940 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.439 9.123 -3.983 1.00 0.00 H new ATOM 221 N LYS A 15 14.909 5.887 -3.072 1.00 0.00 N ATOM 222 CA LYS A 15 15.951 4.820 -3.142 1.00 0.00 C ATOM 223 C LYS A 15 15.492 3.577 -2.376 1.00 0.00 C ATOM 224 O LYS A 15 15.660 2.462 -2.830 1.00 0.00 O ATOM 225 CB LYS A 15 17.191 5.424 -2.482 1.00 0.00 C ATOM 226 CG LYS A 15 18.336 4.409 -2.531 1.00 0.00 C ATOM 227 CD LYS A 15 19.508 4.916 -1.688 1.00 0.00 C ATOM 228 CE LYS A 15 20.287 5.971 -2.476 1.00 0.00 C ATOM 229 NZ LYS A 15 19.824 7.276 -1.927 1.00 0.00 N ATOM 0 H LYS A 15 15.232 6.791 -2.727 1.00 0.00 H new ATOM 0 HA LYS A 15 16.147 4.508 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 15 17.480 6.341 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.972 5.693 -1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.996 3.444 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.656 4.256 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.140 5.342 -0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.164 4.087 -1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.362 5.847 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.083 5.897 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.697 7.955 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.919 7.143 -1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.532 7.643 -1.260 1.00 0.00 H new ATOM 243 N LEU A 16 14.900 3.755 -1.229 1.00 0.00 N ATOM 244 CA LEU A 16 14.418 2.575 -0.456 1.00 0.00 C ATOM 245 C LEU A 16 13.256 1.912 -1.200 1.00 0.00 C ATOM 246 O LEU A 16 13.150 0.703 -1.258 1.00 0.00 O ATOM 247 CB LEU A 16 13.954 3.135 0.890 1.00 0.00 C ATOM 248 CG LEU A 16 13.747 1.981 1.876 1.00 0.00 C ATOM 249 CD1 LEU A 16 13.930 2.493 3.306 1.00 0.00 C ATOM 250 CD2 LEU A 16 12.336 1.414 1.713 1.00 0.00 C ATOM 0 H LEU A 16 14.729 4.662 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 16 15.191 1.817 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.694 3.833 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.025 3.692 0.764 1.00 0.00 H new ATOM 0 HG LEU A 16 14.477 1.197 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.783 1.672 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.937 2.894 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.201 3.278 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.190 0.593 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.604 2.197 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.207 1.048 0.695 1.00 0.00 H new ATOM 262 N ALA A 17 12.398 2.698 -1.795 1.00 0.00 N ATOM 263 CA ALA A 17 11.261 2.118 -2.565 1.00 0.00 C ATOM 264 C ALA A 17 11.784 1.211 -3.684 1.00 0.00 C ATOM 265 O ALA A 17 11.357 0.083 -3.829 1.00 0.00 O ATOM 266 CB ALA A 17 10.529 3.325 -3.154 1.00 0.00 C ATOM 0 H ALA A 17 12.436 3.717 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 17 10.609 1.507 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.675 2.983 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.182 3.970 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.208 3.884 -3.798 1.00 0.00 H new ATOM 272 N LEU A 18 12.768 1.660 -4.417 1.00 0.00 N ATOM 273 CA LEU A 18 13.384 0.791 -5.449 1.00 0.00 C ATOM 274 C LEU A 18 13.966 -0.463 -4.790 1.00 0.00 C ATOM 275 O LEU A 18 13.749 -1.572 -5.238 1.00 0.00 O ATOM 276 CB LEU A 18 14.487 1.655 -6.068 1.00 0.00 C ATOM 277 CG LEU A 18 15.471 0.758 -6.801 1.00 0.00 C ATOM 278 CD1 LEU A 18 14.717 -0.137 -7.786 1.00 0.00 C ATOM 279 CD2 LEU A 18 16.490 1.615 -7.555 1.00 0.00 C ATOM 0 H LEU A 18 13.169 2.595 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 18 12.672 0.447 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.054 2.380 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.001 2.221 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 18 15.995 0.133 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.425 -0.779 -8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.001 -0.754 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.186 0.483 -8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 18 17.193 0.968 -8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.971 2.246 -8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 18 17.032 2.242 -6.848 1.00 0.00 H new ATOM 291 N ASP A 19 14.680 -0.295 -3.712 1.00 0.00 N ATOM 292 CA ASP A 19 15.248 -1.475 -3.002 1.00 0.00 C ATOM 293 C ASP A 19 14.120 -2.403 -2.548 1.00 0.00 C ATOM 294 O ASP A 19 14.209 -3.609 -2.661 1.00 0.00 O ATOM 295 CB ASP A 19 15.977 -0.891 -1.793 1.00 0.00 C ATOM 296 CG ASP A 19 16.607 -2.024 -0.980 1.00 0.00 C ATOM 297 OD1 ASP A 19 16.174 -3.153 -1.140 1.00 0.00 O ATOM 298 OD2 ASP A 19 17.513 -1.743 -0.212 1.00 0.00 O ATOM 0 H ASP A 19 14.895 0.609 -3.292 1.00 0.00 H new ATOM 0 HA ASP A 19 15.912 -2.063 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.747 -0.193 -2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.280 -0.328 -1.172 1.00 0.00 H new ATOM 303 N LEU A 20 13.039 -1.843 -2.079 1.00 0.00 N ATOM 304 CA LEU A 20 11.881 -2.683 -1.667 1.00 0.00 C ATOM 305 C LEU A 20 11.347 -3.449 -2.883 1.00 0.00 C ATOM 306 O LEU A 20 11.156 -4.648 -2.843 1.00 0.00 O ATOM 307 CB LEU A 20 10.867 -1.660 -1.109 1.00 0.00 C ATOM 308 CG LEU A 20 9.427 -1.964 -1.559 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.469 -1.726 -0.397 1.00 0.00 C ATOM 310 CD2 LEU A 20 9.049 -1.029 -2.705 1.00 0.00 C ATOM 0 H LEU A 20 12.908 -0.838 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 20 12.119 -3.445 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.914 -1.662 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.145 -0.659 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 20 9.363 -3.002 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.449 -1.941 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.735 -2.380 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.537 -0.686 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.029 -1.241 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.115 0.005 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.732 -1.182 -3.540 1.00 0.00 H new ATOM 322 N LEU A 21 11.046 -2.749 -3.935 1.00 0.00 N ATOM 323 CA LEU A 21 10.454 -3.412 -5.127 1.00 0.00 C ATOM 324 C LEU A 21 11.356 -4.560 -5.574 1.00 0.00 C ATOM 325 O LEU A 21 10.926 -5.688 -5.709 1.00 0.00 O ATOM 326 CB LEU A 21 10.397 -2.319 -6.198 1.00 0.00 C ATOM 327 CG LEU A 21 9.093 -1.527 -6.057 1.00 0.00 C ATOM 328 CD1 LEU A 21 9.406 -0.064 -5.717 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.319 -1.588 -7.376 1.00 0.00 C ATOM 0 H LEU A 21 11.184 -1.742 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 21 9.469 -3.834 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.252 -1.651 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.458 -2.765 -7.191 1.00 0.00 H new ATOM 0 HG LEU A 21 8.493 -1.961 -5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.475 0.494 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.958 -0.019 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.008 0.374 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.390 -1.025 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.924 -1.156 -8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.091 -2.626 -7.616 1.00 0.00 H new ATOM 341 N GLU A 22 12.625 -4.299 -5.692 1.00 0.00 N ATOM 342 CA GLU A 22 13.585 -5.397 -6.001 1.00 0.00 C ATOM 343 C GLU A 22 13.628 -6.396 -4.842 1.00 0.00 C ATOM 344 O GLU A 22 13.683 -7.593 -5.041 1.00 0.00 O ATOM 345 CB GLU A 22 14.938 -4.707 -6.172 1.00 0.00 C ATOM 346 CG GLU A 22 16.003 -5.752 -6.510 1.00 0.00 C ATOM 347 CD GLU A 22 17.354 -5.061 -6.702 1.00 0.00 C ATOM 348 OE1 GLU A 22 17.391 -3.844 -6.626 1.00 0.00 O ATOM 349 OE2 GLU A 22 18.329 -5.761 -6.921 1.00 0.00 O ATOM 0 H GLU A 22 13.042 -3.374 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 22 13.303 -5.957 -6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.880 -3.961 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.208 -4.180 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.070 -6.490 -5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.725 -6.289 -7.417 1.00 0.00 H new ATOM 356 N GLN A 23 13.605 -5.907 -3.631 1.00 0.00 N ATOM 357 CA GLN A 23 13.646 -6.821 -2.453 1.00 0.00 C ATOM 358 C GLN A 23 12.424 -7.744 -2.454 1.00 0.00 C ATOM 359 O GLN A 23 12.523 -8.921 -2.173 1.00 0.00 O ATOM 360 CB GLN A 23 13.625 -5.892 -1.238 1.00 0.00 C ATOM 361 CG GLN A 23 13.664 -6.724 0.046 1.00 0.00 C ATOM 362 CD GLN A 23 13.759 -5.790 1.254 1.00 0.00 C ATOM 363 OE1 GLN A 23 13.974 -4.603 1.103 1.00 0.00 O ATOM 364 NE2 GLN A 23 13.604 -6.277 2.454 1.00 0.00 N ATOM 0 H GLN A 23 13.560 -4.913 -3.407 1.00 0.00 H new ATOM 0 HA GLN A 23 14.524 -7.467 -2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 23 14.479 -5.215 -1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.727 -5.274 -1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.769 -7.342 0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.518 -7.401 0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.424 -7.273 2.581 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.663 -5.662 3.266 1.00 0.00 H new ATOM 373 N ILE A 24 11.278 -7.224 -2.800 1.00 0.00 N ATOM 374 CA ILE A 24 10.056 -8.079 -2.856 1.00 0.00 C ATOM 375 C ILE A 24 10.183 -9.105 -3.984 1.00 0.00 C ATOM 376 O ILE A 24 9.857 -10.262 -3.821 1.00 0.00 O ATOM 377 CB ILE A 24 8.910 -7.109 -3.137 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.710 -6.194 -1.927 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.624 -7.897 -3.396 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.815 -5.017 -2.321 1.00 0.00 C ATOM 0 H ILE A 24 11.134 -6.245 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 24 9.898 -8.639 -1.935 1.00 0.00 H new ATOM 0 HB ILE A 24 9.150 -6.508 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.257 -6.751 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.673 -5.829 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.807 -7.204 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.765 -8.551 -4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.383 -8.498 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.672 -4.365 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.287 -4.455 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.848 -5.392 -2.657 1.00 0.00 H new ATOM 392 N LYS A 25 10.717 -8.711 -5.105 1.00 0.00 N ATOM 393 CA LYS A 25 10.936 -9.689 -6.198 1.00 0.00 C ATOM 394 C LYS A 25 11.956 -10.748 -5.765 1.00 0.00 C ATOM 395 O LYS A 25 11.689 -11.933 -5.804 1.00 0.00 O ATOM 396 CB LYS A 25 11.473 -8.850 -7.355 1.00 0.00 C ATOM 397 CG LYS A 25 11.987 -9.773 -8.452 1.00 0.00 C ATOM 398 CD LYS A 25 12.095 -8.996 -9.766 1.00 0.00 C ATOM 399 CE LYS A 25 13.193 -7.938 -9.648 1.00 0.00 C ATOM 400 NZ LYS A 25 13.137 -7.188 -10.935 1.00 0.00 N ATOM 0 H LYS A 25 11.010 -7.755 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 25 10.029 -10.229 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.687 -8.204 -7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.275 -8.200 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.961 -10.177 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.313 -10.621 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.320 -9.678 -10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.142 -8.521 -9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.018 -7.279 -8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.170 -8.397 -9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.861 -6.442 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.314 -7.841 -11.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.197 -6.757 -11.045 1.00 0.00 H new ATOM 414 N ASN A 26 13.117 -10.329 -5.335 1.00 0.00 N ATOM 415 CA ASN A 26 14.146 -11.310 -4.879 1.00 0.00 C ATOM 416 C ASN A 26 13.625 -12.145 -3.703 1.00 0.00 C ATOM 417 O ASN A 26 13.850 -13.336 -3.629 1.00 0.00 O ATOM 418 CB ASN A 26 15.342 -10.460 -4.447 1.00 0.00 C ATOM 419 CG ASN A 26 16.063 -9.931 -5.691 1.00 0.00 C ATOM 420 OD1 ASN A 26 15.701 -10.267 -6.802 1.00 0.00 O ATOM 421 ND2 ASN A 26 17.079 -9.121 -5.556 1.00 0.00 N ATOM 0 H ASN A 26 13.397 -9.350 -5.280 1.00 0.00 H new ATOM 0 HA ASN A 26 14.407 -12.017 -5.666 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.007 -9.629 -3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 26 16.026 -11.055 -3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.566 -8.772 -6.381 1.00 0.00 H new ATOM 0 HD22 ASN A 26 17.385 -8.837 -4.625 1.00 0.00 H new ATOM 428 N GLY A 27 12.977 -11.520 -2.756 1.00 0.00 N ATOM 429 CA GLY A 27 12.500 -12.270 -1.559 1.00 0.00 C ATOM 430 C GLY A 27 10.988 -12.467 -1.651 1.00 0.00 C ATOM 431 O GLY A 27 10.501 -13.580 -1.649 1.00 0.00 O ATOM 0 H GLY A 27 12.758 -10.524 -2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.000 -13.236 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.752 -11.724 -0.650 1.00 0.00 H new ATOM 435 N ALA A 28 10.254 -11.380 -1.718 1.00 0.00 N ATOM 436 CA ALA A 28 8.757 -11.437 -1.806 1.00 0.00 C ATOM 437 C ALA A 28 8.156 -11.578 -0.411 1.00 0.00 C ATOM 438 O ALA A 28 8.248 -12.612 0.219 1.00 0.00 O ATOM 439 CB ALA A 28 8.401 -12.639 -2.687 1.00 0.00 C ATOM 0 H ALA A 28 10.638 -10.435 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 28 8.352 -10.523 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.317 -12.716 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.839 -12.507 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.793 -13.550 -2.235 1.00 0.00 H new ATOM 445 N ASP A 29 7.607 -10.514 0.101 1.00 0.00 N ATOM 446 CA ASP A 29 7.072 -10.538 1.489 1.00 0.00 C ATOM 447 C ASP A 29 6.379 -9.209 1.792 1.00 0.00 C ATOM 448 O ASP A 29 6.908 -8.365 2.486 1.00 0.00 O ATOM 449 CB ASP A 29 8.305 -10.719 2.374 1.00 0.00 C ATOM 450 CG ASP A 29 8.455 -12.195 2.749 1.00 0.00 C ATOM 451 OD1 ASP A 29 7.451 -12.887 2.766 1.00 0.00 O ATOM 452 OD2 ASP A 29 9.573 -12.607 3.012 1.00 0.00 O ATOM 0 H ASP A 29 7.505 -9.623 -0.385 1.00 0.00 H new ATOM 0 HA ASP A 29 6.338 -11.328 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.196 -10.374 1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.211 -10.112 3.275 1.00 0.00 H new ATOM 457 N PHE A 30 5.251 -8.973 1.183 1.00 0.00 N ATOM 458 CA PHE A 30 4.587 -7.646 1.330 1.00 0.00 C ATOM 459 C PHE A 30 4.255 -7.364 2.799 1.00 0.00 C ATOM 460 O PHE A 30 4.433 -6.263 3.282 1.00 0.00 O ATOM 461 CB PHE A 30 3.307 -7.746 0.493 1.00 0.00 C ATOM 462 CG PHE A 30 3.554 -7.163 -0.881 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.491 -5.775 -1.070 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.848 -8.004 -1.966 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.720 -5.228 -2.341 1.00 0.00 C ATOM 466 CE2 PHE A 30 4.078 -7.456 -3.236 1.00 0.00 C ATOM 467 CZ PHE A 30 4.013 -6.069 -3.423 1.00 0.00 C ATOM 0 H PHE A 30 4.759 -9.641 0.589 1.00 0.00 H new ATOM 0 HA PHE A 30 5.229 -6.830 0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.997 -8.787 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.495 -7.211 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.266 -5.127 -0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.897 -9.073 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.671 -4.159 -2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.305 -8.103 -4.070 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.189 -5.648 -4.402 1.00 0.00 H new ATOM 477 N GLY A 31 3.730 -8.329 3.502 1.00 0.00 N ATOM 478 CA GLY A 31 3.335 -8.084 4.918 1.00 0.00 C ATOM 479 C GLY A 31 4.572 -7.771 5.768 1.00 0.00 C ATOM 480 O GLY A 31 4.602 -6.801 6.500 1.00 0.00 O ATOM 0 H GLY A 31 3.558 -9.274 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.631 -7.253 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.823 -8.960 5.317 1.00 0.00 H new ATOM 484 N LYS A 32 5.559 -8.625 5.743 1.00 0.00 N ATOM 485 CA LYS A 32 6.743 -8.413 6.629 1.00 0.00 C ATOM 486 C LYS A 32 7.522 -7.161 6.209 1.00 0.00 C ATOM 487 O LYS A 32 7.966 -6.391 7.039 1.00 0.00 O ATOM 488 CB LYS A 32 7.597 -9.674 6.473 1.00 0.00 C ATOM 489 CG LYS A 32 6.881 -10.856 7.134 1.00 0.00 C ATOM 490 CD LYS A 32 7.726 -12.123 6.984 1.00 0.00 C ATOM 491 CE LYS A 32 7.002 -13.298 7.647 1.00 0.00 C ATOM 492 NZ LYS A 32 8.039 -14.361 7.783 1.00 0.00 N ATOM 0 H LYS A 32 5.599 -9.456 5.152 1.00 0.00 H new ATOM 0 HA LYS A 32 6.450 -8.253 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.769 -9.882 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.575 -9.524 6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.709 -10.645 8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.903 -11.003 6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.898 -12.336 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.704 -11.978 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.597 -13.015 8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.164 -13.639 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.619 -15.201 8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.402 -14.615 6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.821 -14.010 8.372 1.00 0.00 H new ATOM 506 N LEU A 33 7.672 -6.931 4.933 1.00 0.00 N ATOM 507 CA LEU A 33 8.400 -5.708 4.484 1.00 0.00 C ATOM 508 C LEU A 33 7.671 -4.451 4.964 1.00 0.00 C ATOM 509 O LEU A 33 8.281 -3.516 5.445 1.00 0.00 O ATOM 510 CB LEU A 33 8.393 -5.776 2.955 1.00 0.00 C ATOM 511 CG LEU A 33 9.385 -6.841 2.483 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.179 -7.104 0.990 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.811 -6.339 2.716 1.00 0.00 C ATOM 0 H LEU A 33 7.325 -7.532 4.186 1.00 0.00 H new ATOM 0 HA LEU A 33 9.412 -5.664 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.391 -6.013 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.660 -4.805 2.537 1.00 0.00 H new ATOM 0 HG LEU A 33 9.223 -7.764 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.886 -7.863 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.161 -7.455 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.343 -6.182 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.522 -7.094 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.969 -5.418 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.960 -6.146 3.778 1.00 0.00 H new ATOM 525 N ALA A 34 6.372 -4.429 4.859 1.00 0.00 N ATOM 526 CA ALA A 34 5.606 -3.241 5.331 1.00 0.00 C ATOM 527 C ALA A 34 5.845 -3.012 6.824 1.00 0.00 C ATOM 528 O ALA A 34 6.056 -1.900 7.263 1.00 0.00 O ATOM 529 CB ALA A 34 4.140 -3.586 5.073 1.00 0.00 C ATOM 0 H ALA A 34 5.807 -5.182 4.467 1.00 0.00 H new ATOM 0 HA ALA A 34 5.908 -2.328 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.509 -2.758 5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.990 -3.764 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.874 -4.483 5.631 1.00 0.00 H new ATOM 535 N LYS A 35 5.714 -4.037 7.620 1.00 0.00 N ATOM 536 CA LYS A 35 5.821 -3.847 9.095 1.00 0.00 C ATOM 537 C LYS A 35 7.196 -3.281 9.469 1.00 0.00 C ATOM 538 O LYS A 35 7.301 -2.370 10.266 1.00 0.00 O ATOM 539 CB LYS A 35 5.624 -5.244 9.688 1.00 0.00 C ATOM 540 CG LYS A 35 5.683 -5.166 11.216 1.00 0.00 C ATOM 541 CD LYS A 35 5.414 -6.553 11.807 1.00 0.00 C ATOM 542 CE LYS A 35 5.470 -6.481 13.335 1.00 0.00 C ATOM 543 NZ LYS A 35 4.310 -5.628 13.728 1.00 0.00 N ATOM 0 H LYS A 35 5.538 -4.994 7.315 1.00 0.00 H new ATOM 0 HA LYS A 35 5.085 -3.138 9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.664 -5.653 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.396 -5.919 9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.661 -4.806 11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.945 -4.453 11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.437 -6.913 11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.153 -7.265 11.439 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.397 -7.474 13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.411 -6.048 13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.010 -5.873 14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.589 -4.627 13.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.521 -5.790 13.069 1.00 0.00 H new ATOM 557 N LYS A 36 8.253 -3.838 8.942 1.00 0.00 N ATOM 558 CA LYS A 36 9.612 -3.348 9.324 1.00 0.00 C ATOM 559 C LYS A 36 9.848 -1.923 8.807 1.00 0.00 C ATOM 560 O LYS A 36 10.369 -1.080 9.510 1.00 0.00 O ATOM 561 CB LYS A 36 10.593 -4.313 8.661 1.00 0.00 C ATOM 562 CG LYS A 36 12.002 -4.040 9.196 1.00 0.00 C ATOM 563 CD LYS A 36 13.001 -4.984 8.525 1.00 0.00 C ATOM 564 CE LYS A 36 14.398 -4.736 9.100 1.00 0.00 C ATOM 565 NZ LYS A 36 14.722 -3.330 8.728 1.00 0.00 N ATOM 0 H LYS A 36 8.237 -4.604 8.269 1.00 0.00 H new ATOM 0 HA LYS A 36 9.732 -3.315 10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.305 -5.344 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.571 -4.187 7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.280 -3.004 9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.024 -4.180 10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.706 -6.020 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.005 -4.821 7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.410 -4.871 10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.126 -5.432 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.725 -3.264 8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.130 -3.038 7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.538 -2.705 9.539 1.00 0.00 H new ATOM 579 N HIS A 37 9.592 -1.686 7.548 1.00 0.00 N ATOM 580 CA HIS A 37 9.943 -0.361 6.953 1.00 0.00 C ATOM 581 C HIS A 37 9.038 0.746 7.500 1.00 0.00 C ATOM 582 O HIS A 37 9.464 1.869 7.686 1.00 0.00 O ATOM 583 CB HIS A 37 9.742 -0.532 5.447 1.00 0.00 C ATOM 584 CG HIS A 37 10.811 -1.440 4.901 1.00 0.00 C ATOM 585 ND1 HIS A 37 10.833 -1.846 3.576 1.00 0.00 N ATOM 586 CD2 HIS A 37 11.903 -2.026 5.491 1.00 0.00 C ATOM 587 CE1 HIS A 37 11.906 -2.641 3.413 1.00 0.00 C ATOM 588 NE2 HIS A 37 12.593 -2.784 4.549 1.00 0.00 N ATOM 0 H HIS A 37 9.157 -2.349 6.907 1.00 0.00 H new ATOM 0 HA HIS A 37 10.964 -0.067 7.198 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.756 -0.951 5.246 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.784 0.438 4.951 1.00 0.00 H new ATOM 0 HD2 HIS A 37 12.184 -1.916 6.528 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.178 -3.107 2.477 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.441 -3.331 4.695 1.00 0.00 H new ATOM 596 N SER A 38 7.774 0.471 7.666 1.00 0.00 N ATOM 597 CA SER A 38 6.830 1.546 8.089 1.00 0.00 C ATOM 598 C SER A 38 7.251 2.121 9.445 1.00 0.00 C ATOM 599 O SER A 38 7.257 3.321 9.637 1.00 0.00 O ATOM 600 CB SER A 38 5.473 0.850 8.198 1.00 0.00 C ATOM 601 OG SER A 38 4.462 1.815 8.443 1.00 0.00 O ATOM 0 H SER A 38 7.354 -0.448 7.528 1.00 0.00 H new ATOM 0 HA SER A 38 6.809 2.380 7.388 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.256 0.307 7.278 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.493 0.116 9.004 1.00 0.00 H new ATOM 0 HG SER A 38 4.359 1.943 9.409 1.00 0.00 H new ATOM 607 N ILE A 39 7.646 1.277 10.364 1.00 0.00 N ATOM 608 CA ILE A 39 8.120 1.769 11.694 1.00 0.00 C ATOM 609 C ILE A 39 7.285 2.965 12.163 1.00 0.00 C ATOM 610 O ILE A 39 7.778 3.855 12.828 1.00 0.00 O ATOM 611 CB ILE A 39 9.579 2.179 11.475 1.00 0.00 C ATOM 612 CG1 ILE A 39 10.227 2.486 12.827 1.00 0.00 C ATOM 613 CG2 ILE A 39 9.642 3.421 10.584 1.00 0.00 C ATOM 614 CD1 ILE A 39 11.744 2.590 12.656 1.00 0.00 C ATOM 0 H ILE A 39 7.661 0.263 10.250 1.00 0.00 H new ATOM 0 HA ILE A 39 8.024 1.005 12.466 1.00 0.00 H new ATOM 0 HB ILE A 39 10.114 1.363 10.989 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.831 3.419 13.228 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.984 1.702 13.545 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.683 3.707 10.432 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.182 3.201 9.621 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.106 4.240 11.064 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.205 2.809 13.619 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.133 1.646 12.274 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.977 3.390 11.953 1.00 0.00 H new ATOM 626 N CYS A 40 6.032 3.005 11.801 1.00 0.00 N ATOM 627 CA CYS A 40 5.177 4.158 12.205 1.00 0.00 C ATOM 628 C CYS A 40 3.990 3.669 13.043 1.00 0.00 C ATOM 629 O CYS A 40 3.706 2.488 13.086 1.00 0.00 O ATOM 630 CB CYS A 40 4.701 4.777 10.886 1.00 0.00 C ATOM 631 SG CYS A 40 3.442 3.721 10.125 1.00 0.00 S ATOM 0 H CYS A 40 5.563 2.291 11.244 1.00 0.00 H new ATOM 0 HA CYS A 40 5.714 4.881 12.819 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.292 5.771 11.068 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.545 4.899 10.207 1.00 0.00 H new ATOM 0 HG CYS A 40 3.855 3.326 8.957 1.00 0.00 H new ATOM 637 N PRO A 41 3.337 4.600 13.684 1.00 0.00 N ATOM 638 CA PRO A 41 2.169 4.261 14.533 1.00 0.00 C ATOM 639 C PRO A 41 1.154 3.440 13.735 1.00 0.00 C ATOM 640 O PRO A 41 0.389 2.673 14.285 1.00 0.00 O ATOM 641 CB PRO A 41 1.587 5.619 14.919 1.00 0.00 C ATOM 642 CG PRO A 41 2.705 6.599 14.731 1.00 0.00 C ATOM 643 CD PRO A 41 3.621 6.038 13.674 1.00 0.00 C ATOM 0 HA PRO A 41 2.435 3.660 15.403 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.732 5.873 14.292 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.236 5.617 15.951 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.317 7.571 14.426 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.245 6.750 15.666 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.419 6.478 12.697 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.667 6.240 13.905 1.00 0.00 H new ATOM 651 N SER A 42 1.184 3.551 12.436 1.00 0.00 N ATOM 652 CA SER A 42 0.272 2.733 11.592 1.00 0.00 C ATOM 653 C SER A 42 1.067 1.640 10.878 1.00 0.00 C ATOM 654 O SER A 42 0.606 1.042 9.932 1.00 0.00 O ATOM 655 CB SER A 42 -0.332 3.709 10.582 1.00 0.00 C ATOM 656 OG SER A 42 0.495 4.858 10.478 1.00 0.00 O ATOM 0 H SER A 42 1.804 4.176 11.921 1.00 0.00 H new ATOM 0 HA SER A 42 -0.501 2.237 12.179 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.428 3.228 9.609 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.335 3.998 10.895 1.00 0.00 H new ATOM 0 HG SER A 42 1.398 4.588 10.210 1.00 0.00 H new ATOM 662 N GLY A 43 2.216 1.302 11.386 1.00 0.00 N ATOM 663 CA GLY A 43 2.961 0.159 10.797 1.00 0.00 C ATOM 664 C GLY A 43 2.201 -1.129 11.119 1.00 0.00 C ATOM 665 O GLY A 43 1.861 -1.899 10.244 1.00 0.00 O ATOM 0 H GLY A 43 2.668 1.762 12.176 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.056 0.284 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.971 0.115 11.203 1.00 0.00 H new ATOM 669 N LYS A 44 1.877 -1.331 12.368 1.00 0.00 N ATOM 670 CA LYS A 44 1.073 -2.526 12.752 1.00 0.00 C ATOM 671 C LYS A 44 -0.314 -2.483 12.100 1.00 0.00 C ATOM 672 O LYS A 44 -0.884 -3.505 11.774 1.00 0.00 O ATOM 673 CB LYS A 44 0.939 -2.444 14.272 1.00 0.00 C ATOM 674 CG LYS A 44 2.294 -2.720 14.924 1.00 0.00 C ATOM 675 CD LYS A 44 2.147 -2.635 16.445 1.00 0.00 C ATOM 676 CE LYS A 44 3.499 -2.910 17.106 1.00 0.00 C ATOM 677 NZ LYS A 44 4.202 -1.596 17.091 1.00 0.00 N ATOM 0 H LYS A 44 2.136 -0.718 13.141 1.00 0.00 H new ATOM 0 HA LYS A 44 1.547 -3.451 12.425 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.579 -1.457 14.562 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.202 -3.167 14.621 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.655 -3.707 14.636 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.032 -1.997 14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.785 -1.648 16.731 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.408 -3.358 16.790 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.374 -3.281 18.123 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.061 -3.666 16.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.218 -1.748 16.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.815 -1.004 16.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.065 -1.118 18.005 1.00 0.00 H new ATOM 691 N ARG A 45 -0.923 -1.326 12.044 1.00 0.00 N ATOM 692 CA ARG A 45 -2.339 -1.258 11.573 1.00 0.00 C ATOM 693 C ARG A 45 -2.404 -0.752 10.126 1.00 0.00 C ATOM 694 O ARG A 45 -3.062 -1.334 9.287 1.00 0.00 O ATOM 695 CB ARG A 45 -3.024 -0.287 12.546 1.00 0.00 C ATOM 696 CG ARG A 45 -4.279 0.310 11.905 1.00 0.00 C ATOM 697 CD ARG A 45 -5.318 -0.790 11.680 1.00 0.00 C ATOM 698 NE ARG A 45 -6.539 -0.069 11.218 1.00 0.00 N ATOM 699 CZ ARG A 45 -7.325 0.521 12.080 1.00 0.00 C ATOM 700 NH1 ARG A 45 -7.051 0.485 13.357 1.00 0.00 N ATOM 701 NH2 ARG A 45 -8.388 1.154 11.662 1.00 0.00 N ATOM 0 H ARG A 45 -0.505 -0.432 12.302 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.828 -2.232 11.567 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.290 -0.810 13.465 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.334 0.510 12.821 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.692 1.088 12.548 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.025 0.782 10.956 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.978 -1.510 10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.510 -1.347 12.597 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.762 -0.036 10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.220 -0.006 13.687 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.668 0.947 14.024 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.603 1.187 10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.003 1.615 12.332 1.00 0.00 H new ATOM 715 N GLY A 46 -1.663 0.273 9.808 1.00 0.00 N ATOM 716 CA GLY A 46 -1.611 0.753 8.397 1.00 0.00 C ATOM 717 C GLY A 46 -1.003 -0.340 7.515 1.00 0.00 C ATOM 718 O GLY A 46 -1.421 -0.550 6.394 1.00 0.00 O ATOM 0 H GLY A 46 -1.089 0.801 10.466 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.613 1.003 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.015 1.663 8.332 1.00 0.00 H new ATOM 722 N GLY A 47 -0.083 -1.100 8.050 1.00 0.00 N ATOM 723 CA GLY A 47 0.474 -2.251 7.283 1.00 0.00 C ATOM 724 C GLY A 47 -0.556 -3.386 7.244 1.00 0.00 C ATOM 725 O GLY A 47 -0.331 -4.423 6.652 1.00 0.00 O ATOM 0 H GLY A 47 0.306 -0.973 8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.725 -1.939 6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.397 -2.599 7.747 1.00 0.00 H new ATOM 729 N ASP A 48 -1.696 -3.185 7.849 1.00 0.00 N ATOM 730 CA ASP A 48 -2.757 -4.226 7.830 1.00 0.00 C ATOM 731 C ASP A 48 -4.041 -3.635 8.409 1.00 0.00 C ATOM 732 O ASP A 48 -4.432 -3.927 9.522 1.00 0.00 O ATOM 733 CB ASP A 48 -2.230 -5.355 8.715 1.00 0.00 C ATOM 734 CG ASP A 48 -3.119 -6.590 8.549 1.00 0.00 C ATOM 735 OD1 ASP A 48 -4.242 -6.431 8.099 1.00 0.00 O ATOM 736 OD2 ASP A 48 -2.660 -7.673 8.873 1.00 0.00 O ATOM 0 H ASP A 48 -1.937 -2.335 8.359 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.982 -4.586 6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.202 -5.595 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.219 -5.039 9.758 1.00 0.00 H new ATOM 741 N LEU A 49 -4.670 -2.764 7.670 1.00 0.00 N ATOM 742 CA LEU A 49 -5.900 -2.093 8.175 1.00 0.00 C ATOM 743 C LEU A 49 -7.084 -3.059 8.104 1.00 0.00 C ATOM 744 O LEU A 49 -8.187 -2.733 8.494 1.00 0.00 O ATOM 745 CB LEU A 49 -6.119 -0.908 7.230 1.00 0.00 C ATOM 746 CG LEU A 49 -5.021 0.140 7.443 1.00 0.00 C ATOM 747 CD1 LEU A 49 -4.777 0.891 6.133 1.00 0.00 C ATOM 748 CD2 LEU A 49 -5.461 1.132 8.521 1.00 0.00 C ATOM 0 H LEU A 49 -4.383 -2.487 6.732 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.806 -1.774 9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.111 -1.251 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.098 -0.464 7.411 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.103 -0.355 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.996 1.637 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.464 0.186 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.697 1.385 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.679 1.876 8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.379 1.628 8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.639 0.599 9.455 1.00 0.00 H new ATOM 760 N GLY A 50 -6.886 -4.206 7.512 1.00 0.00 N ATOM 761 CA GLY A 50 -8.026 -5.139 7.306 1.00 0.00 C ATOM 762 C GLY A 50 -8.957 -4.552 6.246 1.00 0.00 C ATOM 763 O GLY A 50 -8.512 -3.977 5.270 1.00 0.00 O ATOM 0 H GLY A 50 -5.986 -4.535 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.662 -6.116 6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.565 -5.288 8.241 1.00 0.00 H new ATOM 767 N GLU A 51 -10.242 -4.655 6.447 1.00 0.00 N ATOM 768 CA GLU A 51 -11.194 -4.061 5.467 1.00 0.00 C ATOM 769 C GLU A 51 -11.744 -2.733 5.987 1.00 0.00 C ATOM 770 O GLU A 51 -12.180 -2.622 7.116 1.00 0.00 O ATOM 771 CB GLU A 51 -12.315 -5.088 5.315 1.00 0.00 C ATOM 772 CG GLU A 51 -12.142 -5.828 3.987 1.00 0.00 C ATOM 773 CD GLU A 51 -12.994 -7.099 3.993 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.503 -7.442 5.048 1.00 0.00 O ATOM 775 OE2 GLU A 51 -13.122 -7.708 2.944 1.00 0.00 O ATOM 0 H GLU A 51 -10.673 -5.123 7.244 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.712 -3.847 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.292 -5.795 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.285 -4.592 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.438 -5.184 3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.093 -6.082 3.835 1.00 0.00 H new ATOM 782 N PHE A 52 -11.729 -1.729 5.158 1.00 0.00 N ATOM 783 CA PHE A 52 -12.252 -0.396 5.569 1.00 0.00 C ATOM 784 C PHE A 52 -12.913 0.282 4.366 1.00 0.00 C ATOM 785 O PHE A 52 -12.731 -0.132 3.239 1.00 0.00 O ATOM 786 CB PHE A 52 -11.019 0.383 6.030 1.00 0.00 C ATOM 787 CG PHE A 52 -9.968 0.356 4.945 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.202 1.020 3.735 1.00 0.00 C ATOM 789 CD2 PHE A 52 -8.761 -0.331 5.144 1.00 0.00 C ATOM 790 CE1 PHE A 52 -9.236 1.000 2.724 1.00 0.00 C ATOM 791 CE2 PHE A 52 -7.791 -0.349 4.131 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.030 0.317 2.920 1.00 0.00 C ATOM 0 H PHE A 52 -11.373 -1.774 4.203 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.003 -0.455 6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.292 1.413 6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.622 -0.054 6.946 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.131 1.549 3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.579 -0.845 6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.421 1.512 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.860 -0.875 4.283 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.284 0.303 2.139 1.00 0.00 H new ATOM 802 N ARG A 53 -13.750 1.254 4.598 1.00 0.00 N ATOM 803 CA ARG A 53 -14.498 1.872 3.463 1.00 0.00 C ATOM 804 C ARG A 53 -13.537 2.620 2.529 1.00 0.00 C ATOM 805 O ARG A 53 -12.442 2.977 2.902 1.00 0.00 O ATOM 806 CB ARG A 53 -15.477 2.851 4.107 1.00 0.00 C ATOM 807 CG ARG A 53 -16.471 2.089 4.988 1.00 0.00 C ATOM 808 CD ARG A 53 -17.303 3.091 5.793 1.00 0.00 C ATOM 809 NE ARG A 53 -18.388 2.281 6.417 1.00 0.00 N ATOM 810 CZ ARG A 53 -19.063 2.757 7.430 1.00 0.00 C ATOM 811 NH1 ARG A 53 -18.779 3.936 7.916 1.00 0.00 N ATOM 812 NH2 ARG A 53 -20.024 2.051 7.961 1.00 0.00 N ATOM 0 H ARG A 53 -13.949 1.647 5.518 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.009 1.121 2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.933 3.582 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.012 3.405 3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -17.122 1.471 4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.938 1.417 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.697 3.588 6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.713 3.870 5.150 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.604 1.353 6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.027 4.490 7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.309 4.303 8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.247 1.129 7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.552 2.421 8.752 1.00 0.00 H new ATOM 900 N PRO A 59 -7.263 9.234 0.161 1.00 0.00 N ATOM 901 CA PRO A 59 -8.049 9.237 -1.099 1.00 0.00 C ATOM 902 C PRO A 59 -7.291 8.494 -2.203 1.00 0.00 C ATOM 903 O PRO A 59 -7.837 7.642 -2.877 1.00 0.00 O ATOM 904 CB PRO A 59 -8.198 10.720 -1.448 1.00 0.00 C ATOM 905 CG PRO A 59 -7.235 11.449 -0.560 1.00 0.00 C ATOM 906 CD PRO A 59 -7.000 10.586 0.648 1.00 0.00 C ATOM 0 HA PRO A 59 -9.012 8.737 -0.995 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.972 10.899 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.220 11.060 -1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.298 11.640 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.640 12.418 -0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.981 10.687 1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.667 10.854 1.468 1.00 0.00 H new ATOM 914 N ALA A 60 -6.041 8.819 -2.397 1.00 0.00 N ATOM 915 CA ALA A 60 -5.244 8.141 -3.462 1.00 0.00 C ATOM 916 C ALA A 60 -5.554 6.641 -3.481 1.00 0.00 C ATOM 917 O ALA A 60 -5.600 6.021 -4.525 1.00 0.00 O ATOM 918 CB ALA A 60 -3.781 8.381 -3.077 1.00 0.00 C ATOM 0 H ALA A 60 -5.536 9.526 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.473 8.526 -4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.129 7.912 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.583 9.453 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.588 7.950 -2.095 1.00 0.00 H new ATOM 924 N PHE A 61 -5.790 6.060 -2.337 1.00 0.00 N ATOM 925 CA PHE A 61 -6.123 4.607 -2.295 1.00 0.00 C ATOM 926 C PHE A 61 -7.391 4.319 -3.100 1.00 0.00 C ATOM 927 O PHE A 61 -7.487 3.321 -3.785 1.00 0.00 O ATOM 928 CB PHE A 61 -6.353 4.290 -0.820 1.00 0.00 C ATOM 929 CG PHE A 61 -6.700 2.829 -0.687 1.00 0.00 C ATOM 930 CD1 PHE A 61 -5.688 1.861 -0.742 1.00 0.00 C ATOM 931 CD2 PHE A 61 -8.037 2.438 -0.522 1.00 0.00 C ATOM 932 CE1 PHE A 61 -6.011 0.503 -0.629 1.00 0.00 C ATOM 933 CE2 PHE A 61 -8.360 1.078 -0.410 1.00 0.00 C ATOM 934 CZ PHE A 61 -7.347 0.110 -0.464 1.00 0.00 C ATOM 0 H PHE A 61 -5.767 6.527 -1.431 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.328 3.999 -2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.459 4.520 -0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.158 4.907 -0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.659 2.162 -0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.817 3.184 -0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.230 -0.242 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.389 0.776 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.595 -0.938 -0.379 1.00 0.00 H new ATOM 944 N ASP A 62 -8.380 5.158 -2.995 1.00 0.00 N ATOM 945 CA ASP A 62 -9.649 4.892 -3.731 1.00 0.00 C ATOM 946 C ASP A 62 -9.377 4.829 -5.235 1.00 0.00 C ATOM 947 O ASP A 62 -9.887 3.977 -5.934 1.00 0.00 O ATOM 948 CB ASP A 62 -10.561 6.072 -3.395 1.00 0.00 C ATOM 949 CG ASP A 62 -11.904 5.898 -4.107 1.00 0.00 C ATOM 950 OD1 ASP A 62 -11.966 5.096 -5.024 1.00 0.00 O ATOM 951 OD2 ASP A 62 -12.847 6.571 -3.723 1.00 0.00 O ATOM 0 H ASP A 62 -8.368 6.011 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.101 3.941 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.714 6.132 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.092 7.007 -3.703 1.00 0.00 H new ATOM 956 N LYS A 63 -8.556 5.712 -5.732 1.00 0.00 N ATOM 957 CA LYS A 63 -8.227 5.691 -7.185 1.00 0.00 C ATOM 958 C LYS A 63 -7.695 4.316 -7.602 1.00 0.00 C ATOM 959 O LYS A 63 -8.145 3.740 -8.572 1.00 0.00 O ATOM 960 CB LYS A 63 -7.138 6.750 -7.353 1.00 0.00 C ATOM 961 CG LYS A 63 -6.712 6.814 -8.820 1.00 0.00 C ATOM 962 CD LYS A 63 -5.619 7.873 -8.986 1.00 0.00 C ATOM 963 CE LYS A 63 -5.266 8.018 -10.469 1.00 0.00 C ATOM 964 NZ LYS A 63 -4.497 6.786 -10.805 1.00 0.00 N ATOM 0 H LYS A 63 -8.098 6.448 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.102 5.890 -7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.508 7.722 -7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.281 6.509 -6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.344 5.841 -9.146 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.568 7.058 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.961 8.828 -8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.734 7.589 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.163 8.102 -11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.673 8.915 -10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.770 7.013 -11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.041 6.417 -9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.143 6.068 -11.190 1.00 0.00 H new ATOM 978 N VAL A 64 -6.627 3.875 -6.992 1.00 0.00 N ATOM 979 CA VAL A 64 -5.947 2.644 -7.496 1.00 0.00 C ATOM 980 C VAL A 64 -6.794 1.395 -7.238 1.00 0.00 C ATOM 981 O VAL A 64 -6.990 0.591 -8.127 1.00 0.00 O ATOM 982 CB VAL A 64 -4.617 2.562 -6.740 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.860 2.698 -5.235 1.00 0.00 C ATOM 984 CG2 VAL A 64 -3.960 1.209 -7.019 1.00 0.00 C ATOM 0 H VAL A 64 -6.199 4.308 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.796 2.693 -8.574 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.967 3.370 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.909 2.638 -4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.331 3.659 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.514 1.894 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.013 1.147 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.620 0.408 -6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.778 1.106 -8.089 1.00 0.00 H new ATOM 994 N VAL A 65 -7.394 1.265 -6.086 1.00 0.00 N ATOM 995 CA VAL A 65 -8.323 0.115 -5.891 1.00 0.00 C ATOM 996 C VAL A 65 -9.430 0.164 -6.949 1.00 0.00 C ATOM 997 O VAL A 65 -9.901 -0.856 -7.412 1.00 0.00 O ATOM 998 CB VAL A 65 -8.891 0.246 -4.474 1.00 0.00 C ATOM 999 CG1 VAL A 65 -10.011 1.289 -4.442 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -9.453 -1.111 -4.039 1.00 0.00 C ATOM 0 H VAL A 65 -7.285 1.890 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.816 -0.843 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.097 0.562 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.404 1.370 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.617 2.255 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.810 0.985 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.860 -1.030 -3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.243 -1.415 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.656 -1.855 -4.050 1.00 0.00 H new ATOM 1010 N PHE A 66 -9.763 1.338 -7.424 1.00 0.00 N ATOM 1011 CA PHE A 66 -10.736 1.432 -8.553 1.00 0.00 C ATOM 1012 C PHE A 66 -9.984 1.450 -9.889 1.00 0.00 C ATOM 1013 O PHE A 66 -10.556 1.243 -10.940 1.00 0.00 O ATOM 1014 CB PHE A 66 -11.476 2.751 -8.339 1.00 0.00 C ATOM 1015 CG PHE A 66 -12.838 2.666 -8.985 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -12.958 2.734 -10.381 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -13.981 2.514 -8.190 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -14.222 2.650 -10.980 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -15.246 2.429 -8.789 1.00 0.00 C ATOM 1020 CZ PHE A 66 -15.367 2.497 -10.184 1.00 0.00 C ATOM 0 H PHE A 66 -9.405 2.230 -7.081 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.422 0.585 -8.579 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -11.578 2.956 -7.273 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.907 3.575 -8.769 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -12.076 2.851 -10.994 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.888 2.462 -7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -14.315 2.703 -12.055 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -16.127 2.311 -8.176 1.00 0.00 H new ATOM 0 HZ PHE A 66 -16.341 2.432 -10.646 1.00 0.00 H new ATOM 1030 N SER A 67 -8.689 1.602 -9.838 1.00 0.00 N ATOM 1031 CA SER A 67 -7.870 1.526 -11.080 1.00 0.00 C ATOM 1032 C SER A 67 -7.356 0.097 -11.273 1.00 0.00 C ATOM 1033 O SER A 67 -7.765 -0.604 -12.177 1.00 0.00 O ATOM 1034 CB SER A 67 -6.698 2.485 -10.856 1.00 0.00 C ATOM 1035 OG SER A 67 -6.134 2.840 -12.110 1.00 0.00 O ATOM 0 H SER A 67 -8.160 1.777 -8.983 1.00 0.00 H new ATOM 0 HA SER A 67 -8.443 1.792 -11.968 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.039 3.378 -10.332 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.944 2.014 -10.226 1.00 0.00 H new ATOM 0 HG SER A 67 -5.384 3.455 -11.969 1.00 0.00 H new ATOM 1041 N CYS A 68 -6.502 -0.355 -10.396 1.00 0.00 N ATOM 1042 CA CYS A 68 -6.008 -1.759 -10.489 1.00 0.00 C ATOM 1043 C CYS A 68 -7.082 -2.732 -9.997 1.00 0.00 C ATOM 1044 O CYS A 68 -7.899 -2.387 -9.167 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.787 -1.809 -9.570 1.00 0.00 C ATOM 1046 SG CYS A 68 -5.320 -1.611 -7.852 1.00 0.00 S ATOM 0 H CYS A 68 -6.125 0.187 -9.619 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.764 -2.043 -11.513 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.264 -2.757 -9.693 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.084 -1.020 -9.838 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.380 -0.860 -7.810 1.00 0.00 H new ATOM 1052 N PRO A 69 -6.986 -3.945 -10.465 1.00 0.00 N ATOM 1053 CA PRO A 69 -7.896 -5.014 -9.997 1.00 0.00 C ATOM 1054 C PRO A 69 -7.432 -5.547 -8.638 1.00 0.00 C ATOM 1055 O PRO A 69 -6.251 -5.612 -8.359 1.00 0.00 O ATOM 1056 CB PRO A 69 -7.762 -6.089 -11.070 1.00 0.00 C ATOM 1057 CG PRO A 69 -6.408 -5.876 -11.677 1.00 0.00 C ATOM 1058 CD PRO A 69 -6.032 -4.429 -11.469 1.00 0.00 C ATOM 0 HA PRO A 69 -8.923 -4.676 -9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.848 -7.087 -10.640 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.548 -5.997 -11.820 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.673 -6.532 -11.211 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.423 -6.118 -12.740 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.004 -4.332 -11.120 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.109 -3.861 -12.396 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.345 -5.970 -7.809 1.00 0.00 N ATOM 1067 CA VAL A 70 -7.945 -6.544 -6.494 1.00 0.00 C ATOM 1068 C VAL A 70 -6.947 -7.686 -6.706 1.00 0.00 C ATOM 1069 O VAL A 70 -6.703 -8.107 -7.820 1.00 0.00 O ATOM 1070 CB VAL A 70 -9.246 -7.073 -5.887 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -9.903 -8.048 -6.866 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -8.945 -7.796 -4.573 1.00 0.00 C ATOM 0 H VAL A 70 -9.349 -5.943 -7.985 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.461 -5.812 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.920 -6.239 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.830 -8.426 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.121 -7.533 -7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.227 -8.881 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.874 -8.171 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.270 -8.630 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.477 -7.102 -3.875 1.00 0.00 H new ATOM 1082 N LEU A 71 -6.321 -8.143 -5.655 1.00 0.00 N ATOM 1083 CA LEU A 71 -5.285 -9.210 -5.798 1.00 0.00 C ATOM 1084 C LEU A 71 -4.171 -8.742 -6.737 1.00 0.00 C ATOM 1085 O LEU A 71 -3.465 -9.539 -7.322 1.00 0.00 O ATOM 1086 CB LEU A 71 -6.016 -10.417 -6.391 1.00 0.00 C ATOM 1087 CG LEU A 71 -6.968 -11.001 -5.347 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -8.413 -10.750 -5.781 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -6.725 -12.507 -5.225 1.00 0.00 C ATOM 0 H LEU A 71 -6.482 -7.823 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.818 -9.454 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.573 -10.118 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.296 -11.173 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.790 -10.525 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.094 -11.166 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.585 -9.677 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.592 -11.228 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.403 -12.926 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.905 -12.984 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.694 -12.686 -4.918 1.00 0.00 H new ATOM 1101 N GLU A 72 -4.018 -7.457 -6.898 1.00 0.00 N ATOM 1102 CA GLU A 72 -2.960 -6.945 -7.815 1.00 0.00 C ATOM 1103 C GLU A 72 -2.132 -5.863 -7.117 1.00 0.00 C ATOM 1104 O GLU A 72 -2.478 -4.699 -7.152 1.00 0.00 O ATOM 1105 CB GLU A 72 -3.716 -6.355 -9.005 1.00 0.00 C ATOM 1106 CG GLU A 72 -2.737 -6.093 -10.151 1.00 0.00 C ATOM 1107 CD GLU A 72 -2.856 -7.212 -11.187 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -3.781 -7.163 -11.981 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -2.019 -8.100 -11.169 1.00 0.00 O ATOM 0 H GLU A 72 -4.578 -6.740 -6.436 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.266 -7.728 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.498 -7.042 -9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.208 -5.427 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.951 -5.130 -10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.717 -6.043 -9.769 1.00 0.00 H new ATOM 1116 N PRO A 73 -1.039 -6.281 -6.539 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.128 -5.325 -5.872 1.00 0.00 C ATOM 1118 C PRO A 73 0.200 -4.173 -6.822 1.00 0.00 C ATOM 1119 O PRO A 73 0.877 -4.351 -7.815 1.00 0.00 O ATOM 1120 CB PRO A 73 1.119 -6.150 -5.566 1.00 0.00 C ATOM 1121 CG PRO A 73 0.677 -7.581 -5.598 1.00 0.00 C ATOM 1122 CD PRO A 73 -0.558 -7.663 -6.460 1.00 0.00 C ATOM 0 HA PRO A 73 -0.556 -4.879 -4.974 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.901 -5.965 -6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.531 -5.889 -4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.466 -8.216 -6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.464 -7.938 -4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.327 -8.061 -7.448 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.308 -8.320 -6.019 1.00 0.00 H new ATOM 1130 N THR A 74 -0.304 -3.002 -6.549 1.00 0.00 N ATOM 1131 CA THR A 74 -0.050 -1.857 -7.467 1.00 0.00 C ATOM 1132 C THR A 74 0.767 -0.782 -6.751 1.00 0.00 C ATOM 1133 O THR A 74 0.479 -0.409 -5.631 1.00 0.00 O ATOM 1134 CB THR A 74 -1.438 -1.327 -7.834 1.00 0.00 C ATOM 1135 OG1 THR A 74 -2.182 -2.357 -8.472 1.00 0.00 O ATOM 1136 CG2 THR A 74 -1.297 -0.135 -8.781 1.00 0.00 C ATOM 0 H THR A 74 -0.878 -2.789 -5.734 1.00 0.00 H new ATOM 0 HA THR A 74 0.517 -2.151 -8.350 1.00 0.00 H new ATOM 0 HB THR A 74 -1.957 -1.009 -6.930 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.348 -3.083 -7.835 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.286 0.242 -9.042 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.726 0.654 -8.291 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.778 -0.449 -9.687 1.00 0.00 H new ATOM 1144 N GLY A 75 1.826 -0.331 -7.364 1.00 0.00 N ATOM 1145 CA GLY A 75 2.711 0.660 -6.694 1.00 0.00 C ATOM 1146 C GLY A 75 4.174 0.330 -7.013 1.00 0.00 C ATOM 1147 O GLY A 75 4.445 -0.525 -7.833 1.00 0.00 O ATOM 0 H GLY A 75 2.117 -0.607 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.471 1.667 -7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.548 0.640 -5.616 1.00 0.00 H new ATOM 1151 N PRO A 76 5.079 1.013 -6.353 1.00 0.00 N ATOM 1152 CA PRO A 76 4.703 2.052 -5.356 1.00 0.00 C ATOM 1153 C PRO A 76 4.091 3.279 -6.048 1.00 0.00 C ATOM 1154 O PRO A 76 4.510 3.681 -7.115 1.00 0.00 O ATOM 1155 CB PRO A 76 6.026 2.395 -4.678 1.00 0.00 C ATOM 1156 CG PRO A 76 7.080 2.026 -5.673 1.00 0.00 C ATOM 1157 CD PRO A 76 6.536 0.876 -6.479 1.00 0.00 C ATOM 0 HA PRO A 76 3.948 1.711 -4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.076 3.454 -4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.149 1.839 -3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.316 2.872 -6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.004 1.742 -5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.854 0.932 -7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.882 -0.082 -6.092 1.00 0.00 H new ATOM 1165 N LEU A 77 3.052 3.824 -5.473 1.00 0.00 N ATOM 1166 CA LEU A 77 2.335 4.972 -6.107 1.00 0.00 C ATOM 1167 C LEU A 77 2.892 6.303 -5.591 1.00 0.00 C ATOM 1168 O LEU A 77 3.665 6.339 -4.656 1.00 0.00 O ATOM 1169 CB LEU A 77 0.879 4.806 -5.667 1.00 0.00 C ATOM 1170 CG LEU A 77 0.313 3.503 -6.235 1.00 0.00 C ATOM 1171 CD1 LEU A 77 -1.080 3.256 -5.651 1.00 0.00 C ATOM 1172 CD2 LEU A 77 0.216 3.608 -7.758 1.00 0.00 C ATOM 0 H LEU A 77 2.664 3.520 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 77 2.447 4.980 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.817 4.797 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.286 5.653 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 77 0.971 2.675 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.485 2.328 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.011 3.180 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.738 4.084 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.187 2.679 -8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.442 4.435 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.208 3.784 -8.174 1.00 0.00 H new ATOM 1184 N HIS A 78 2.466 7.401 -6.156 1.00 0.00 N ATOM 1185 CA HIS A 78 2.934 8.725 -5.648 1.00 0.00 C ATOM 1186 C HIS A 78 1.886 9.350 -4.722 1.00 0.00 C ATOM 1187 O HIS A 78 0.753 9.567 -5.105 1.00 0.00 O ATOM 1188 CB HIS A 78 3.121 9.599 -6.887 1.00 0.00 C ATOM 1189 CG HIS A 78 3.405 11.010 -6.448 1.00 0.00 C ATOM 1190 ND1 HIS A 78 2.442 12.007 -6.495 1.00 0.00 N ATOM 1191 CD2 HIS A 78 4.531 11.601 -5.932 1.00 0.00 C ATOM 1192 CE1 HIS A 78 3.002 13.134 -6.018 1.00 0.00 C ATOM 1193 NE2 HIS A 78 4.275 12.942 -5.660 1.00 0.00 N ATOM 0 H HIS A 78 1.818 7.440 -6.943 1.00 0.00 H new ATOM 0 HA HIS A 78 3.855 8.627 -5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.943 9.221 -7.495 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.225 9.570 -7.508 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.473 11.101 -5.763 1.00 0.00 H new ATOM 0 HE1 HIS A 78 2.485 14.079 -5.935 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.920 13.630 -5.271 1.00 0.00 H new ATOM 1201 N THR A 79 2.283 9.722 -3.536 1.00 0.00 N ATOM 1202 CA THR A 79 1.347 10.429 -2.616 1.00 0.00 C ATOM 1203 C THR A 79 2.121 11.442 -1.765 1.00 0.00 C ATOM 1204 O THR A 79 3.335 11.453 -1.753 1.00 0.00 O ATOM 1205 CB THR A 79 0.738 9.331 -1.741 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.222 9.904 -0.864 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.838 8.654 -0.926 1.00 0.00 C ATOM 0 H THR A 79 3.219 9.566 -3.163 1.00 0.00 H new ATOM 0 HA THR A 79 0.577 10.985 -3.150 1.00 0.00 H new ATOM 0 HB THR A 79 0.253 8.589 -2.375 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.921 9.245 -0.668 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.401 7.873 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.572 8.213 -1.601 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.327 9.393 -0.291 1.00 0.00 H new ATOM 1215 N GLN A 80 1.433 12.347 -1.127 1.00 0.00 N ATOM 1216 CA GLN A 80 2.136 13.425 -0.371 1.00 0.00 C ATOM 1217 C GLN A 80 3.032 12.829 0.717 1.00 0.00 C ATOM 1218 O GLN A 80 4.114 13.317 0.979 1.00 0.00 O ATOM 1219 CB GLN A 80 1.017 14.248 0.263 1.00 0.00 C ATOM 1220 CG GLN A 80 1.624 15.331 1.156 1.00 0.00 C ATOM 1221 CD GLN A 80 0.500 16.145 1.797 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -0.183 15.666 2.681 1.00 0.00 O ATOM 1223 NE2 GLN A 80 0.274 17.361 1.385 1.00 0.00 N ATOM 0 H GLN A 80 0.414 12.388 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 80 2.780 14.022 -1.017 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.402 14.704 -0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.363 13.602 0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.245 14.876 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.271 15.982 0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.847 17.763 0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.476 17.910 1.804 1.00 0.00 H new ATOM 1232 N PHE A 81 2.573 11.812 1.386 1.00 0.00 N ATOM 1233 CA PHE A 81 3.378 11.225 2.494 1.00 0.00 C ATOM 1234 C PHE A 81 4.655 10.583 1.942 1.00 0.00 C ATOM 1235 O PHE A 81 5.570 10.271 2.677 1.00 0.00 O ATOM 1236 CB PHE A 81 2.468 10.169 3.121 1.00 0.00 C ATOM 1237 CG PHE A 81 1.335 10.855 3.846 1.00 0.00 C ATOM 1238 CD1 PHE A 81 1.478 11.202 5.197 1.00 0.00 C ATOM 1239 CD2 PHE A 81 0.143 11.148 3.169 1.00 0.00 C ATOM 1240 CE1 PHE A 81 0.428 11.840 5.871 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -0.908 11.787 3.843 1.00 0.00 C ATOM 1242 CZ PHE A 81 -0.765 12.133 5.195 1.00 0.00 C ATOM 0 H PHE A 81 1.675 11.360 1.215 1.00 0.00 H new ATOM 0 HA PHE A 81 3.694 11.974 3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.074 9.507 2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.036 9.548 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.397 10.978 5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.034 10.882 2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.538 12.106 6.912 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.827 12.012 3.322 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.574 12.625 5.715 1.00 0.00 H new ATOM 1252 N GLY A 82 4.712 10.359 0.658 1.00 0.00 N ATOM 1253 CA GLY A 82 5.914 9.709 0.067 1.00 0.00 C ATOM 1254 C GLY A 82 5.469 8.739 -1.027 1.00 0.00 C ATOM 1255 O GLY A 82 4.583 9.032 -1.804 1.00 0.00 O ATOM 0 H GLY A 82 3.977 10.599 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.584 10.462 -0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.471 9.177 0.838 1.00 0.00 H new ATOM 1259 N TYR A 83 6.030 7.563 -1.057 1.00 0.00 N ATOM 1260 CA TYR A 83 5.580 6.556 -2.058 1.00 0.00 C ATOM 1261 C TYR A 83 4.569 5.597 -1.423 1.00 0.00 C ATOM 1262 O TYR A 83 4.850 4.945 -0.437 1.00 0.00 O ATOM 1263 CB TYR A 83 6.850 5.814 -2.478 1.00 0.00 C ATOM 1264 CG TYR A 83 7.436 6.484 -3.698 1.00 0.00 C ATOM 1265 CD1 TYR A 83 7.762 7.847 -3.662 1.00 0.00 C ATOM 1266 CD2 TYR A 83 7.649 5.743 -4.870 1.00 0.00 C ATOM 1267 CE1 TYR A 83 8.302 8.470 -4.797 1.00 0.00 C ATOM 1268 CE2 TYR A 83 8.188 6.366 -6.005 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.514 7.729 -5.969 1.00 0.00 C ATOM 1270 OH TYR A 83 9.043 8.342 -7.086 1.00 0.00 O ATOM 0 H TYR A 83 6.778 7.256 -0.435 1.00 0.00 H new ATOM 0 HA TYR A 83 5.083 7.014 -2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.574 5.818 -1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.621 4.771 -2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 83 7.597 8.418 -2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.398 4.693 -4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.554 9.520 -4.768 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.352 5.795 -6.907 1.00 0.00 H new ATOM 0 HH TYR A 83 9.631 9.075 -6.809 1.00 0.00 H new ATOM 1280 N HIS A 84 3.414 5.474 -2.018 1.00 0.00 N ATOM 1281 CA HIS A 84 2.390 4.514 -1.493 1.00 0.00 C ATOM 1282 C HIS A 84 2.356 3.250 -2.353 1.00 0.00 C ATOM 1283 O HIS A 84 1.829 3.264 -3.447 1.00 0.00 O ATOM 1284 CB HIS A 84 1.032 5.231 -1.594 1.00 0.00 C ATOM 1285 CG HIS A 84 0.739 5.968 -0.317 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.397 6.747 -0.165 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.414 6.052 0.875 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.374 7.261 1.078 1.00 0.00 C ATOM 1289 NE2 HIS A 84 0.708 6.869 1.755 1.00 0.00 N ATOM 0 H HIS A 84 3.131 5.996 -2.847 1.00 0.00 H new ATOM 0 HA HIS A 84 2.622 4.221 -0.469 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.042 5.929 -2.431 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.243 4.506 -1.793 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.349 5.560 1.097 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.137 7.911 1.479 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.963 7.115 2.711 1.00 0.00 H new ATOM 1297 N ILE A 85 2.696 2.122 -1.797 1.00 0.00 N ATOM 1298 CA ILE A 85 2.423 0.853 -2.530 1.00 0.00 C ATOM 1299 C ILE A 85 1.221 0.151 -1.899 1.00 0.00 C ATOM 1300 O ILE A 85 1.108 0.066 -0.691 1.00 0.00 O ATOM 1301 CB ILE A 85 3.688 0.002 -2.398 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.636 -1.133 -3.423 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.766 -0.593 -0.992 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.050 -1.450 -3.911 1.00 0.00 C ATOM 0 H ILE A 85 3.142 2.022 -0.885 1.00 0.00 H new ATOM 0 HA ILE A 85 2.186 1.027 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 85 4.565 0.625 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.188 -2.020 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.006 -0.847 -4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.668 -1.198 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.795 0.212 -0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.891 -1.218 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.010 -2.259 -4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.482 -0.563 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.667 -1.754 -3.066 1.00 0.00 H new ATOM 1316 N ILE A 86 0.256 -0.210 -2.698 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.017 -0.739 -2.134 1.00 0.00 C ATOM 1318 C ILE A 86 -1.272 -2.172 -2.603 1.00 0.00 C ATOM 1319 O ILE A 86 -1.421 -2.433 -3.780 1.00 0.00 O ATOM 1320 CB ILE A 86 -2.097 0.197 -2.674 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.989 1.555 -1.978 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.479 -0.410 -2.419 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.697 2.618 -2.818 1.00 0.00 C ATOM 0 H ILE A 86 0.294 -0.162 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.997 -0.771 -1.045 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.959 0.331 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.437 1.503 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.941 1.823 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.247 0.260 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.551 -1.374 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.623 -0.548 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.620 3.585 -2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.229 2.676 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.748 2.352 -2.932 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.479 -3.066 -1.680 1.00 0.00 N ATOM 1336 CA LYS A 87 -1.910 -4.440 -2.056 1.00 0.00 C ATOM 1337 C LYS A 87 -3.422 -4.566 -1.856 1.00 0.00 C ATOM 1338 O LYS A 87 -3.945 -4.215 -0.816 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.155 -5.361 -1.098 1.00 0.00 C ATOM 1340 CG LYS A 87 -1.360 -6.818 -1.507 1.00 0.00 C ATOM 1341 CD LYS A 87 -0.517 -7.720 -0.603 1.00 0.00 C ATOM 1342 CE LYS A 87 -0.176 -9.015 -1.343 1.00 0.00 C ATOM 1343 NZ LYS A 87 -1.097 -10.041 -0.775 1.00 0.00 N ATOM 0 H LYS A 87 -1.368 -2.905 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.699 -4.686 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.093 -5.118 -1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.508 -5.207 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.414 -7.086 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.074 -6.959 -2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.398 -7.205 -0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.063 -7.946 0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.323 -8.905 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.867 -9.293 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.347 -10.730 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.627 -10.532 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.961 -9.578 -0.427 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.138 -4.972 -2.869 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.627 -5.010 -2.759 1.00 0.00 C ATOM 1359 C VAL A 88 -6.100 -6.444 -2.506 1.00 0.00 C ATOM 1360 O VAL A 88 -5.638 -7.379 -3.129 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.143 -4.506 -4.109 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.659 -4.309 -4.033 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.475 -3.172 -4.452 1.00 0.00 C ATOM 0 H VAL A 88 -3.760 -5.278 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.994 -4.401 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.906 -5.238 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.028 -3.950 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.138 -5.258 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.893 -3.578 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.845 -2.817 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.709 -2.439 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.395 -3.309 -4.507 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.028 -6.623 -1.605 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.539 -7.978 -1.322 1.00 0.00 C ATOM 1375 C LEU A 89 -9.059 -7.912 -1.114 1.00 0.00 C ATOM 1376 O LEU A 89 -9.564 -6.983 -0.519 1.00 0.00 O ATOM 1377 CB LEU A 89 -6.850 -8.397 -0.023 1.00 0.00 C ATOM 1378 CG LEU A 89 -5.331 -8.401 -0.216 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -4.657 -8.798 1.099 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -4.948 -9.405 -1.306 1.00 0.00 C ATOM 0 H LEU A 89 -7.452 -5.877 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.342 -8.680 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.121 -7.712 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.190 -9.389 0.276 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.002 -7.405 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.575 -8.802 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.925 -8.082 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.990 -9.793 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.866 -9.403 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.276 -10.402 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.429 -9.125 -2.243 1.00 0.00 H new ATOM 1392 N TYR A 90 -9.761 -8.939 -1.497 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.231 -9.029 -1.221 1.00 0.00 C ATOM 1394 C TYR A 90 -12.010 -7.905 -1.918 1.00 0.00 C ATOM 1395 O TYR A 90 -12.948 -8.158 -2.648 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.376 -8.928 0.301 1.00 0.00 C ATOM 1397 CG TYR A 90 -10.683 -10.102 0.950 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -11.325 -11.348 1.008 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -9.401 -9.949 1.497 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -10.685 -12.439 1.612 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -8.761 -11.041 2.100 1.00 0.00 C ATOM 1402 CZ TYR A 90 -9.403 -12.286 2.158 1.00 0.00 C ATOM 1403 OH TYR A 90 -8.773 -13.361 2.752 1.00 0.00 O ATOM 0 H TYR A 90 -9.376 -9.738 -2.000 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.643 -9.962 -1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.943 -7.993 0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.430 -8.916 0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.313 -11.467 0.587 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.907 -8.990 1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.180 -13.398 1.657 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.773 -10.923 2.520 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.891 -13.084 3.078 1.00 0.00 H new ATOM 1413 N ARG A 91 -11.656 -6.671 -1.684 1.00 0.00 N ATOM 1414 CA ARG A 91 -12.408 -5.549 -2.321 1.00 0.00 C ATOM 1415 C ARG A 91 -13.888 -5.574 -1.902 1.00 0.00 C ATOM 1416 O ARG A 91 -14.729 -4.981 -2.547 1.00 0.00 O ATOM 1417 CB ARG A 91 -12.273 -5.786 -3.826 1.00 0.00 C ATOM 1418 CG ARG A 91 -12.792 -4.564 -4.587 1.00 0.00 C ATOM 1419 CD ARG A 91 -12.628 -4.794 -6.091 1.00 0.00 C ATOM 1420 NE ARG A 91 -13.501 -5.963 -6.393 1.00 0.00 N ATOM 1421 CZ ARG A 91 -14.799 -5.817 -6.457 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -15.340 -4.644 -6.264 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -15.556 -6.849 -6.715 1.00 0.00 N ATOM 0 H ARG A 91 -10.882 -6.390 -1.082 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.018 -4.577 -2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.230 -5.971 -4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.835 -6.674 -4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.841 -4.391 -4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.244 -3.672 -4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.931 -3.916 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.589 -4.999 -6.349 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.085 -6.881 -6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.750 -3.837 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.353 -4.535 -6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.135 -7.766 -6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.569 -6.739 -6.766 1.00 0.00 H new