USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 824 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 Single : A 13 THR OG1 : rot 115:sc= 0.136 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -2.53! C(o=-2.5!,f=-2.4!) USER MOD Single : A 24 SER OG : rot 170:sc= 0 USER MOD Single : A 29 MET CE :methyl 175:sc=-0.00893 (180deg=-0.054) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 149:sc= -0.535 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0061 X(o=-0.0061,f=-0.0061) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -7.55! K(o=-7.5!,f=-2.5) USER MOD Single : A 58 THR OG1 : rot -55:sc= 1.37 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= 0.707 (180deg=0.597) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.6! C(o=-2.6!,f=-9.4!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -88:sc= 0.54 USER MOD Single : A 86 THR OG1 : rot -61:sc= 1.03 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -1.95! K(o=-1.9!,f=-0.13) USER MOD Single : A 92 LYS NZ :NH3+ -118:sc= 0.813 (180deg=-2.01) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -3.03 USER MOD Single : A 104 THR OG1 : rot -28:sc= 0.218 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -6.77! C(o=-6.8!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -6.868 5.680 4.326 1.00 0.00 N ATOM 67 CA ASP A 8 -6.367 6.259 3.085 1.00 0.00 C ATOM 68 C ASP A 8 -5.795 5.178 2.173 1.00 0.00 C ATOM 69 O ASP A 8 -5.042 5.469 1.244 1.00 0.00 O ATOM 70 CB ASP A 8 -5.298 7.311 3.383 1.00 0.00 C ATOM 71 CG ASP A 8 -4.780 7.982 2.126 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.507 8.826 1.561 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.648 7.663 1.707 1.00 0.00 O ATOM 0 HA ASP A 8 -7.202 6.737 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.712 8.067 4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.467 6.841 3.910 1.00 0.00 H new ATOM 78 N VAL A 9 -6.156 3.928 2.447 1.00 0.00 N ATOM 79 CA VAL A 9 -5.678 2.803 1.652 1.00 0.00 C ATOM 80 C VAL A 9 -6.337 2.782 0.277 1.00 0.00 C ATOM 81 O VAL A 9 -7.554 2.924 0.159 1.00 0.00 O ATOM 82 CB VAL A 9 -5.948 1.461 2.359 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.234 0.326 1.641 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.522 1.532 3.817 1.00 0.00 C ATOM 0 H VAL A 9 -6.778 3.669 3.213 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.602 2.933 1.534 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.019 1.262 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.436 -0.614 2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.593 0.263 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.160 0.515 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.720 0.576 4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.456 1.754 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.084 2.317 4.322 1.00 0.00 H new ATOM 94 N ILE A 10 -5.524 2.605 -0.759 1.00 0.00 N ATOM 95 CA ILE A 10 -6.029 2.564 -2.126 1.00 0.00 C ATOM 96 C ILE A 10 -5.965 1.150 -2.694 1.00 0.00 C ATOM 97 O ILE A 10 -4.999 0.422 -2.464 1.00 0.00 O ATOM 98 CB ILE A 10 -5.237 3.512 -3.047 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.158 4.909 -2.430 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.879 3.571 -4.425 1.00 0.00 C ATOM 101 CD1 ILE A 10 -3.983 5.723 -2.925 1.00 0.00 C ATOM 0 H ILE A 10 -4.514 2.488 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.068 2.891 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.224 3.126 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.080 5.447 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.094 4.815 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.308 4.245 -5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.888 2.574 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.902 3.937 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.990 6.702 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.054 5.207 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.056 5.848 -4.005 1.00 0.00 H new ATOM 113 N GLU A 11 -6.999 0.770 -3.438 1.00 0.00 N ATOM 114 CA GLU A 11 -7.058 -0.557 -4.040 1.00 0.00 C ATOM 115 C GLU A 11 -6.689 -0.501 -5.519 1.00 0.00 C ATOM 116 O GLU A 11 -7.380 0.131 -6.320 1.00 0.00 O ATOM 117 CB GLU A 11 -8.458 -1.154 -3.874 1.00 0.00 C ATOM 118 CG GLU A 11 -8.659 -2.454 -4.634 1.00 0.00 C ATOM 119 CD GLU A 11 -10.111 -2.887 -4.675 1.00 0.00 C ATOM 120 OE1 GLU A 11 -10.843 -2.602 -3.705 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.516 -3.511 -5.679 1.00 0.00 O ATOM 0 H GLU A 11 -7.806 1.361 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.336 -1.193 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.646 -1.329 -2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.196 -0.427 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.290 -2.336 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.063 -3.239 -4.168 1.00 0.00 H new ATOM 128 N LEU A 12 -5.596 -1.165 -5.876 1.00 0.00 N ATOM 129 CA LEU A 12 -5.133 -1.191 -7.259 1.00 0.00 C ATOM 130 C LEU A 12 -5.232 -2.598 -7.840 1.00 0.00 C ATOM 131 O LEU A 12 -5.185 -3.588 -7.109 1.00 0.00 O ATOM 132 CB LEU A 12 -3.689 -0.692 -7.344 1.00 0.00 C ATOM 133 CG LEU A 12 -3.448 0.745 -6.882 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.961 1.064 -6.886 1.00 0.00 C ATOM 135 CD2 LEU A 12 -4.207 1.724 -7.766 1.00 0.00 C ATOM 0 H LEU A 12 -5.013 -1.693 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.774 -0.531 -7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.061 -1.354 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.355 -0.781 -8.378 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.818 0.845 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.808 2.091 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.441 0.384 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.566 0.946 -7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.024 2.742 -7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.867 1.622 -8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.274 1.510 -7.713 1.00 0.00 H new ATOM 147 N THR A 13 -5.367 -2.679 -9.160 1.00 0.00 N ATOM 148 CA THR A 13 -5.472 -3.964 -9.840 1.00 0.00 C ATOM 149 C THR A 13 -4.275 -4.202 -10.754 1.00 0.00 C ATOM 150 O THR A 13 -3.339 -3.402 -10.787 1.00 0.00 O ATOM 151 CB THR A 13 -6.765 -4.056 -10.671 1.00 0.00 C ATOM 152 OG1 THR A 13 -6.582 -3.408 -11.935 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.931 -3.417 -9.932 1.00 0.00 C ATOM 0 H THR A 13 -5.406 -1.870 -9.779 1.00 0.00 H new ATOM 0 HA THR A 13 -5.492 -4.731 -9.065 1.00 0.00 H new ATOM 0 HB THR A 13 -6.992 -5.110 -10.833 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.644 -4.071 -12.654 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.833 -3.494 -10.539 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.087 -3.931 -8.984 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.710 -2.367 -9.743 1.00 0.00 H new ATOM 161 N ASP A 14 -4.312 -5.304 -11.494 1.00 0.00 N ATOM 162 CA ASP A 14 -3.231 -5.645 -12.411 1.00 0.00 C ATOM 163 C ASP A 14 -3.020 -4.538 -13.439 1.00 0.00 C ATOM 164 O ASP A 14 -1.909 -4.034 -13.604 1.00 0.00 O ATOM 165 CB ASP A 14 -3.533 -6.966 -13.120 1.00 0.00 C ATOM 166 CG ASP A 14 -5.003 -7.121 -13.454 1.00 0.00 C ATOM 167 OD1 ASP A 14 -5.756 -7.630 -12.597 1.00 0.00 O ATOM 168 OD2 ASP A 14 -5.402 -6.733 -14.572 1.00 0.00 O ATOM 0 H ASP A 14 -5.079 -5.977 -11.477 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.316 -5.755 -11.829 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.947 -7.025 -14.037 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.218 -7.795 -12.487 1.00 0.00 H new ATOM 173 N ASP A 15 -4.093 -4.166 -14.128 1.00 0.00 N ATOM 174 CA ASP A 15 -4.026 -3.119 -15.141 1.00 0.00 C ATOM 175 C ASP A 15 -3.985 -1.738 -14.493 1.00 0.00 C ATOM 176 O ASP A 15 -3.166 -0.895 -14.857 1.00 0.00 O ATOM 177 CB ASP A 15 -5.224 -3.217 -16.087 1.00 0.00 C ATOM 178 CG ASP A 15 -6.527 -3.446 -15.348 1.00 0.00 C ATOM 179 OD1 ASP A 15 -6.626 -4.454 -14.619 1.00 0.00 O ATOM 180 OD2 ASP A 15 -7.449 -2.617 -15.500 1.00 0.00 O ATOM 0 H ASP A 15 -5.020 -4.574 -14.004 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.109 -3.260 -15.713 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.298 -2.300 -16.672 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.061 -4.032 -16.792 1.00 0.00 H new ATOM 185 N SER A 16 -4.876 -1.515 -13.532 1.00 0.00 N ATOM 186 CA SER A 16 -4.945 -0.235 -12.836 1.00 0.00 C ATOM 187 C SER A 16 -3.601 0.113 -12.204 1.00 0.00 C ATOM 188 O SER A 16 -3.123 1.242 -12.315 1.00 0.00 O ATOM 189 CB SER A 16 -6.033 -0.273 -11.761 1.00 0.00 C ATOM 190 OG SER A 16 -7.293 0.090 -12.298 1.00 0.00 O ATOM 0 H SER A 16 -5.560 -2.204 -13.218 1.00 0.00 H new ATOM 0 HA SER A 16 -5.193 0.535 -13.567 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.091 -1.274 -11.333 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.771 0.406 -10.949 1.00 0.00 H new ATOM 0 HG SER A 16 -7.972 0.056 -11.592 1.00 0.00 H new ATOM 196 N PHE A 17 -2.996 -0.866 -11.539 1.00 0.00 N ATOM 197 CA PHE A 17 -1.707 -0.664 -10.887 1.00 0.00 C ATOM 198 C PHE A 17 -0.754 0.108 -11.794 1.00 0.00 C ATOM 199 O PHE A 17 0.175 0.763 -11.321 1.00 0.00 O ATOM 200 CB PHE A 17 -1.089 -2.011 -10.505 1.00 0.00 C ATOM 201 CG PHE A 17 0.343 -1.909 -10.061 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.345 -1.620 -10.973 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.685 -2.101 -8.733 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.663 -1.527 -10.567 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.001 -2.008 -8.321 1.00 0.00 C ATOM 206 CZ PHE A 17 2.991 -1.720 -9.239 1.00 0.00 C ATOM 0 H PHE A 17 -3.377 -1.807 -11.437 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.872 -0.079 -9.982 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.678 -2.458 -9.705 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.149 -2.685 -11.360 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.094 -1.466 -12.012 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.086 -2.326 -8.011 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.436 -1.304 -11.288 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.254 -2.160 -7.282 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.020 -1.646 -8.920 1.00 0.00 H new ATOM 216 N ASP A 18 -0.990 0.024 -13.098 1.00 0.00 N ATOM 217 CA ASP A 18 -0.153 0.715 -14.072 1.00 0.00 C ATOM 218 C ASP A 18 -0.643 2.142 -14.295 1.00 0.00 C ATOM 219 O ASP A 18 0.142 3.091 -14.270 1.00 0.00 O ATOM 220 CB ASP A 18 -0.144 -0.046 -15.399 1.00 0.00 C ATOM 221 CG ASP A 18 0.122 -1.528 -15.214 1.00 0.00 C ATOM 222 OD1 ASP A 18 1.191 -1.875 -14.670 1.00 0.00 O ATOM 223 OD2 ASP A 18 -0.738 -2.340 -15.615 1.00 0.00 O ATOM 0 H ASP A 18 -1.754 -0.516 -13.505 1.00 0.00 H new ATOM 0 HA ASP A 18 0.862 0.756 -13.677 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.103 0.089 -15.898 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.618 0.378 -16.053 1.00 0.00 H new ATOM 228 N LYS A 19 -1.946 2.288 -14.513 1.00 0.00 N ATOM 229 CA LYS A 19 -2.542 3.600 -14.740 1.00 0.00 C ATOM 230 C LYS A 19 -2.613 4.397 -13.441 1.00 0.00 C ATOM 231 O LYS A 19 -2.988 5.568 -13.441 1.00 0.00 O ATOM 232 CB LYS A 19 -3.943 3.449 -15.336 1.00 0.00 C ATOM 233 CG LYS A 19 -5.042 3.357 -14.291 1.00 0.00 C ATOM 234 CD LYS A 19 -6.412 3.217 -14.933 1.00 0.00 C ATOM 235 CE LYS A 19 -6.455 2.048 -15.905 1.00 0.00 C ATOM 236 NZ LYS A 19 -7.852 1.668 -16.253 1.00 0.00 N ATOM 0 H LYS A 19 -2.610 1.514 -14.537 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.911 4.142 -15.444 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.144 4.298 -15.989 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.969 2.555 -15.959 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.855 2.503 -13.640 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.023 4.247 -13.662 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.165 3.075 -14.158 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.665 4.138 -15.458 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.913 2.311 -16.813 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.944 1.191 -15.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.839 0.868 -16.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.362 1.393 -15.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.332 2.478 -16.696 1.00 0.00 H new ATOM 250 N ASN A 20 -2.249 3.754 -12.337 1.00 0.00 N ATOM 251 CA ASN A 20 -2.271 4.404 -11.031 1.00 0.00 C ATOM 252 C ASN A 20 -0.856 4.724 -10.560 1.00 0.00 C ATOM 253 O ASN A 20 -0.612 5.771 -9.960 1.00 0.00 O ATOM 254 CB ASN A 20 -2.972 3.511 -10.006 1.00 0.00 C ATOM 255 CG ASN A 20 -4.483 3.562 -10.133 1.00 0.00 C ATOM 256 OD1 ASN A 20 -5.159 4.241 -9.361 1.00 0.00 O ATOM 257 ND2 ASN A 20 -5.018 2.840 -11.111 1.00 0.00 N ATOM 0 H ASN A 20 -1.935 2.784 -12.320 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.824 5.339 -11.127 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.634 2.483 -10.132 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.684 3.820 -9.001 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.029 2.834 -11.246 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.418 2.292 -11.727 1.00 0.00 H new ATOM 264 N VAL A 21 0.075 3.816 -10.836 1.00 0.00 N ATOM 265 CA VAL A 21 1.466 4.002 -10.442 1.00 0.00 C ATOM 266 C VAL A 21 2.291 4.569 -11.591 1.00 0.00 C ATOM 267 O VAL A 21 2.793 5.692 -11.514 1.00 0.00 O ATOM 268 CB VAL A 21 2.099 2.677 -9.974 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.576 2.870 -9.670 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.362 2.134 -8.760 1.00 0.00 C ATOM 0 H VAL A 21 -0.110 2.944 -11.331 1.00 0.00 H new ATOM 0 HA VAL A 21 1.469 4.710 -9.613 1.00 0.00 H new ATOM 0 HB VAL A 21 2.011 1.947 -10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.006 1.924 -9.341 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.091 3.210 -10.568 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.691 3.614 -8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.823 1.198 -8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.416 2.858 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.318 1.956 -9.018 1.00 0.00 H new ATOM 280 N LEU A 22 2.429 3.787 -12.655 1.00 0.00 N ATOM 281 CA LEU A 22 3.194 4.212 -13.823 1.00 0.00 C ATOM 282 C LEU A 22 2.695 5.556 -14.341 1.00 0.00 C ATOM 283 O LEU A 22 3.486 6.412 -14.738 1.00 0.00 O ATOM 284 CB LEU A 22 3.100 3.159 -14.929 1.00 0.00 C ATOM 285 CG LEU A 22 3.443 1.725 -14.522 1.00 0.00 C ATOM 286 CD1 LEU A 22 3.259 0.779 -15.698 1.00 0.00 C ATOM 287 CD2 LEU A 22 4.866 1.648 -13.990 1.00 0.00 C ATOM 0 H LEU A 22 2.022 2.855 -12.734 1.00 0.00 H new ATOM 0 HA LEU A 22 4.236 4.324 -13.523 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.086 3.169 -15.328 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.765 3.454 -15.741 1.00 0.00 H new ATOM 0 HG LEU A 22 2.763 1.420 -13.727 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.508 -0.237 -15.390 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.223 0.813 -16.034 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.915 1.081 -16.514 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.093 0.621 -13.705 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.562 1.972 -14.764 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.964 2.296 -13.119 1.00 0.00 H new ATOM 299 N ASP A 23 1.379 5.736 -14.333 1.00 0.00 N ATOM 300 CA ASP A 23 0.774 6.979 -14.799 1.00 0.00 C ATOM 301 C ASP A 23 0.924 8.081 -13.756 1.00 0.00 C ATOM 302 O ASP A 23 0.363 9.167 -13.900 1.00 0.00 O ATOM 303 CB ASP A 23 -0.706 6.761 -15.120 1.00 0.00 C ATOM 304 CG ASP A 23 -0.931 6.358 -16.564 1.00 0.00 C ATOM 305 OD1 ASP A 23 -0.116 5.576 -17.097 1.00 0.00 O ATOM 306 OD2 ASP A 23 -1.924 6.824 -17.162 1.00 0.00 O ATOM 0 H ASP A 23 0.710 5.037 -14.009 1.00 0.00 H new ATOM 0 HA ASP A 23 1.293 7.290 -15.706 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.107 5.989 -14.463 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.259 7.677 -14.911 1.00 0.00 H new ATOM 311 N SER A 24 1.684 7.794 -12.703 1.00 0.00 N ATOM 312 CA SER A 24 1.904 8.759 -11.633 1.00 0.00 C ATOM 313 C SER A 24 3.384 8.846 -11.276 1.00 0.00 C ATOM 314 O SER A 24 4.030 7.833 -11.012 1.00 0.00 O ATOM 315 CB SER A 24 1.091 8.374 -10.395 1.00 0.00 C ATOM 316 OG SER A 24 0.757 9.518 -9.628 1.00 0.00 O ATOM 0 H SER A 24 2.157 6.901 -12.569 1.00 0.00 H new ATOM 0 HA SER A 24 1.575 9.736 -11.986 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.180 7.858 -10.700 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.663 7.676 -9.783 1.00 0.00 H new ATOM 0 HG SER A 24 0.108 9.270 -8.937 1.00 0.00 H new ATOM 322 N GLU A 25 3.914 10.065 -11.269 1.00 0.00 N ATOM 323 CA GLU A 25 5.319 10.285 -10.945 1.00 0.00 C ATOM 324 C GLU A 25 5.523 10.362 -9.435 1.00 0.00 C ATOM 325 O GLU A 25 6.555 10.839 -8.961 1.00 0.00 O ATOM 326 CB GLU A 25 5.823 11.570 -11.605 1.00 0.00 C ATOM 327 CG GLU A 25 5.104 12.821 -11.130 1.00 0.00 C ATOM 328 CD GLU A 25 5.049 13.902 -12.192 1.00 0.00 C ATOM 329 OE1 GLU A 25 6.113 14.466 -12.520 1.00 0.00 O ATOM 330 OE2 GLU A 25 3.941 14.183 -12.695 1.00 0.00 O ATOM 0 H GLU A 25 3.392 10.915 -11.484 1.00 0.00 H new ATOM 0 HA GLU A 25 5.890 9.440 -11.329 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.889 11.676 -11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.707 11.483 -12.685 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.089 12.560 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.608 13.211 -10.246 1.00 0.00 H new ATOM 337 N ASP A 26 4.533 9.891 -8.685 1.00 0.00 N ATOM 338 CA ASP A 26 4.603 9.906 -7.228 1.00 0.00 C ATOM 339 C ASP A 26 4.925 8.517 -6.686 1.00 0.00 C ATOM 340 O ASP A 26 4.702 7.510 -7.357 1.00 0.00 O ATOM 341 CB ASP A 26 3.283 10.405 -6.638 1.00 0.00 C ATOM 342 CG ASP A 26 2.954 11.820 -7.070 1.00 0.00 C ATOM 343 OD1 ASP A 26 3.894 12.627 -7.226 1.00 0.00 O ATOM 344 OD2 ASP A 26 1.756 12.121 -7.252 1.00 0.00 O ATOM 0 H ASP A 26 3.672 9.494 -9.062 1.00 0.00 H new ATOM 0 HA ASP A 26 5.403 10.585 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.477 9.738 -6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.336 10.363 -5.550 1.00 0.00 H new ATOM 349 N VAL A 27 5.452 8.472 -5.466 1.00 0.00 N ATOM 350 CA VAL A 27 5.805 7.206 -4.833 1.00 0.00 C ATOM 351 C VAL A 27 4.558 6.422 -4.441 1.00 0.00 C ATOM 352 O VAL A 27 3.712 6.914 -3.694 1.00 0.00 O ATOM 353 CB VAL A 27 6.673 7.429 -3.580 1.00 0.00 C ATOM 354 CG1 VAL A 27 7.095 6.097 -2.979 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.888 8.279 -3.919 1.00 0.00 C ATOM 0 H VAL A 27 5.644 9.296 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 27 6.376 6.634 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 27 6.080 7.963 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.707 6.274 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.209 5.527 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.671 5.533 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.490 8.427 -3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.485 7.774 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.560 9.246 -4.300 1.00 0.00 H new ATOM 365 N TRP A 28 4.451 5.199 -4.949 1.00 0.00 N ATOM 366 CA TRP A 28 3.307 4.345 -4.651 1.00 0.00 C ATOM 367 C TRP A 28 3.734 3.124 -3.844 1.00 0.00 C ATOM 368 O TRP A 28 4.505 2.292 -4.322 1.00 0.00 O ATOM 369 CB TRP A 28 2.624 3.903 -5.946 1.00 0.00 C ATOM 370 CG TRP A 28 1.626 4.895 -6.460 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.885 5.998 -7.223 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.210 4.876 -6.247 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.715 6.665 -7.497 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.326 5.997 -6.910 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.657 4.021 -5.562 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.689 6.283 -6.906 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.009 4.306 -5.558 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.515 5.428 -6.227 1.00 0.00 C ATOM 0 H TRP A 28 5.142 4.777 -5.569 1.00 0.00 H new ATOM 0 HA TRP A 28 2.600 4.922 -4.054 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.383 3.734 -6.709 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.124 2.949 -5.777 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.865 6.301 -7.561 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.635 7.519 -8.048 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.277 3.152 -5.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.080 7.148 -7.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.687 3.652 -5.030 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.577 5.622 -6.207 1.00 0.00 H new ATOM 389 N MET A 29 3.229 3.023 -2.619 1.00 0.00 N ATOM 390 CA MET A 29 3.559 1.902 -1.747 1.00 0.00 C ATOM 391 C MET A 29 2.554 0.766 -1.918 1.00 0.00 C ATOM 392 O MET A 29 1.391 0.891 -1.535 1.00 0.00 O ATOM 393 CB MET A 29 3.589 2.356 -0.286 1.00 0.00 C ATOM 394 CG MET A 29 4.972 2.762 0.196 1.00 0.00 C ATOM 395 SD MET A 29 5.948 1.359 0.770 1.00 0.00 S ATOM 396 CE MET A 29 6.505 1.963 2.361 1.00 0.00 C ATOM 0 H MET A 29 2.590 3.704 -2.208 1.00 0.00 H new ATOM 0 HA MET A 29 4.547 1.535 -2.026 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.908 3.198 -0.162 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.216 1.549 0.344 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.503 3.261 -0.615 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.872 3.486 1.005 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.048 1.173 2.880 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.162 2.820 2.215 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.644 2.264 2.958 1.00 0.00 H new ATOM 406 N VAL A 30 3.012 -0.340 -2.496 1.00 0.00 N ATOM 407 CA VAL A 30 2.153 -1.497 -2.717 1.00 0.00 C ATOM 408 C VAL A 30 2.419 -2.585 -1.682 1.00 0.00 C ATOM 409 O VAL A 30 3.497 -3.179 -1.656 1.00 0.00 O ATOM 410 CB VAL A 30 2.355 -2.085 -4.127 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.373 -3.219 -4.378 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.210 -0.999 -5.182 1.00 0.00 C ATOM 0 H VAL A 30 3.972 -0.459 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 30 1.124 -1.150 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 30 3.365 -2.490 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.530 -3.622 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.530 -4.006 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.353 -2.843 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.356 -1.432 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.213 -0.562 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.957 -0.224 -5.011 1.00 0.00 H new ATOM 422 N GLU A 31 1.430 -2.840 -0.832 1.00 0.00 N ATOM 423 CA GLU A 31 1.558 -3.857 0.205 1.00 0.00 C ATOM 424 C GLU A 31 0.706 -5.079 -0.122 1.00 0.00 C ATOM 425 O GLU A 31 -0.492 -5.108 0.158 1.00 0.00 O ATOM 426 CB GLU A 31 1.149 -3.285 1.564 1.00 0.00 C ATOM 427 CG GLU A 31 1.160 -4.311 2.685 1.00 0.00 C ATOM 428 CD GLU A 31 -0.154 -5.058 2.806 1.00 0.00 C ATOM 429 OE1 GLU A 31 -1.194 -4.499 2.399 1.00 0.00 O ATOM 430 OE2 GLU A 31 -0.142 -6.202 3.307 1.00 0.00 O ATOM 0 H GLU A 31 0.532 -2.357 -0.841 1.00 0.00 H new ATOM 0 HA GLU A 31 2.602 -4.166 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.824 -2.469 1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.149 -2.858 1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.965 -5.025 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.377 -3.810 3.629 1.00 0.00 H new ATOM 437 N PHE A 32 1.333 -6.088 -0.719 1.00 0.00 N ATOM 438 CA PHE A 32 0.633 -7.313 -1.087 1.00 0.00 C ATOM 439 C PHE A 32 0.164 -8.066 0.155 1.00 0.00 C ATOM 440 O PHE A 32 0.976 -8.549 0.945 1.00 0.00 O ATOM 441 CB PHE A 32 1.541 -8.211 -1.929 1.00 0.00 C ATOM 442 CG PHE A 32 2.033 -7.555 -3.187 1.00 0.00 C ATOM 443 CD1 PHE A 32 3.134 -6.715 -3.160 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.395 -7.779 -4.396 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.589 -6.109 -4.317 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.845 -7.177 -5.556 1.00 0.00 C ATOM 447 CZ PHE A 32 2.944 -6.341 -5.516 1.00 0.00 C ATOM 0 H PHE A 32 2.325 -6.081 -0.958 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.242 -7.039 -1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.398 -8.514 -1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.999 -9.119 -2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.643 -6.531 -2.225 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.536 -8.432 -4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.448 -5.455 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.338 -7.360 -6.492 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.298 -5.870 -6.421 1.00 0.00 H new ATOM 457 N TYR A 33 -1.150 -8.161 0.321 1.00 0.00 N ATOM 458 CA TYR A 33 -1.728 -8.851 1.468 1.00 0.00 C ATOM 459 C TYR A 33 -2.644 -9.984 1.017 1.00 0.00 C ATOM 460 O TYR A 33 -3.016 -10.068 -0.153 1.00 0.00 O ATOM 461 CB TYR A 33 -2.507 -7.868 2.343 1.00 0.00 C ATOM 462 CG TYR A 33 -3.920 -7.620 1.864 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.936 -8.528 2.136 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.239 -6.478 1.140 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.228 -8.307 1.700 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.529 -6.248 0.701 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.519 -7.165 0.984 1.00 0.00 C ATOM 468 OH TYR A 33 -7.805 -6.939 0.548 1.00 0.00 O ATOM 0 H TYR A 33 -1.836 -7.769 -0.324 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.912 -9.278 2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.540 -8.250 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.971 -6.919 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.712 -9.422 2.698 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.466 -5.758 0.916 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.005 -9.024 1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.760 -5.355 0.139 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.841 -6.090 0.060 1.00 0.00 H new ATOM 478 N ALA A 34 -3.005 -10.854 1.955 1.00 0.00 N ATOM 479 CA ALA A 34 -3.880 -11.981 1.656 1.00 0.00 C ATOM 480 C ALA A 34 -5.120 -11.964 2.543 1.00 0.00 C ATOM 481 O ALA A 34 -5.049 -11.712 3.746 1.00 0.00 O ATOM 482 CB ALA A 34 -3.127 -13.292 1.823 1.00 0.00 C ATOM 0 H ALA A 34 -2.705 -10.800 2.928 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.206 -11.891 0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.792 -14.125 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.276 -13.312 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.772 -13.380 2.850 1.00 0.00 H new ATOM 488 N PRO A 35 -6.286 -12.237 1.938 1.00 0.00 N ATOM 489 CA PRO A 35 -7.564 -12.259 2.655 1.00 0.00 C ATOM 490 C PRO A 35 -7.671 -13.441 3.612 1.00 0.00 C ATOM 491 O PRO A 35 -8.530 -13.461 4.494 1.00 0.00 O ATOM 492 CB PRO A 35 -8.598 -12.383 1.534 1.00 0.00 C ATOM 493 CG PRO A 35 -7.864 -13.034 0.413 1.00 0.00 C ATOM 494 CD PRO A 35 -6.445 -12.546 0.507 1.00 0.00 C ATOM 0 HA PRO A 35 -7.696 -11.375 3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.453 -12.982 1.848 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.983 -11.406 1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.909 -14.120 0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.305 -12.769 -0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.736 -13.306 0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.280 -11.666 -0.115 1.00 0.00 H new ATOM 502 N TRP A 36 -6.795 -14.423 3.433 1.00 0.00 N ATOM 503 CA TRP A 36 -6.792 -15.609 4.282 1.00 0.00 C ATOM 504 C TRP A 36 -5.538 -15.655 5.147 1.00 0.00 C ATOM 505 O TRP A 36 -5.223 -16.685 5.744 1.00 0.00 O ATOM 506 CB TRP A 36 -6.884 -16.873 3.426 1.00 0.00 C ATOM 507 CG TRP A 36 -6.129 -16.773 2.135 1.00 0.00 C ATOM 508 CD1 TRP A 36 -6.658 -16.750 0.876 1.00 0.00 C ATOM 509 CD2 TRP A 36 -4.709 -16.684 1.977 1.00 0.00 C ATOM 510 NE1 TRP A 36 -5.653 -16.652 -0.055 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.447 -16.609 0.595 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.633 -16.658 2.869 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.155 -16.512 0.087 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.351 -16.562 2.362 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.120 -16.489 0.982 1.00 0.00 C ATOM 0 H TRP A 36 -6.078 -14.422 2.708 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.661 -15.559 4.938 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.502 -17.719 3.998 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.932 -17.082 3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.712 -16.801 0.646 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.783 -16.617 -1.066 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.800 -16.712 3.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.975 -16.457 -0.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.512 -16.543 3.042 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.106 -16.413 0.618 1.00 0.00 H new ATOM 526 N CYS A 37 -4.827 -14.535 5.212 1.00 0.00 N ATOM 527 CA CYS A 37 -3.606 -14.449 6.005 1.00 0.00 C ATOM 528 C CYS A 37 -3.811 -13.553 7.223 1.00 0.00 C ATOM 529 O CYS A 37 -4.187 -12.389 7.093 1.00 0.00 O ATOM 530 CB CYS A 37 -2.455 -13.915 5.152 1.00 0.00 C ATOM 531 SG CYS A 37 -0.819 -14.168 5.877 1.00 0.00 S ATOM 0 H CYS A 37 -5.075 -13.674 4.725 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.356 -15.452 6.352 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.486 -14.398 4.175 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.605 -12.848 4.985 1.00 0.00 H new ATOM 0 HG CYS A 37 0.088 -13.685 5.081 1.00 0.00 H new ATOM 537 N GLY A 38 -3.561 -14.105 8.406 1.00 0.00 N ATOM 538 CA GLY A 38 -3.725 -13.343 9.630 1.00 0.00 C ATOM 539 C GLY A 38 -2.832 -12.119 9.675 1.00 0.00 C ATOM 540 O GLY A 38 -3.303 -11.005 9.908 1.00 0.00 O ATOM 0 H GLY A 38 -3.248 -15.067 8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.766 -13.033 9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.504 -13.982 10.485 1.00 0.00 H new ATOM 544 N HIS A 39 -1.538 -12.325 9.453 1.00 0.00 N ATOM 545 CA HIS A 39 -0.575 -11.229 9.470 1.00 0.00 C ATOM 546 C HIS A 39 -1.189 -9.958 8.891 1.00 0.00 C ATOM 547 O HIS A 39 -1.061 -8.877 9.468 1.00 0.00 O ATOM 548 CB HIS A 39 0.678 -11.610 8.681 1.00 0.00 C ATOM 549 CG HIS A 39 1.583 -12.552 9.412 1.00 0.00 C ATOM 550 ND1 HIS A 39 2.451 -12.145 10.404 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.752 -13.890 9.293 1.00 0.00 C ATOM 552 CE1 HIS A 39 3.115 -13.191 10.862 1.00 0.00 C ATOM 553 NE2 HIS A 39 2.709 -14.263 10.204 1.00 0.00 N ATOM 0 H HIS A 39 -1.132 -13.240 9.259 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.297 -11.038 10.507 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.378 -12.066 7.737 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.232 -10.704 8.435 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.231 -14.543 8.608 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.862 -13.173 11.641 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.051 -15.213 10.349 1.00 0.00 H new ATOM 562 N CYS A 40 -1.853 -10.095 7.749 1.00 0.00 N ATOM 563 CA CYS A 40 -2.485 -8.957 7.091 1.00 0.00 C ATOM 564 C CYS A 40 -3.584 -8.364 7.967 1.00 0.00 C ATOM 565 O CYS A 40 -3.553 -7.181 8.307 1.00 0.00 O ATOM 566 CB CYS A 40 -3.065 -9.380 5.741 1.00 0.00 C ATOM 567 SG CYS A 40 -4.420 -8.334 5.159 1.00 0.00 S ATOM 0 H CYS A 40 -1.968 -10.982 7.259 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.724 -8.194 6.928 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.269 -9.372 4.997 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.420 -10.408 5.816 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.414 -8.299 3.859 1.00 0.00 H new ATOM 573 N LYS A 41 -4.558 -9.194 8.328 1.00 0.00 N ATOM 574 CA LYS A 41 -5.668 -8.753 9.164 1.00 0.00 C ATOM 575 C LYS A 41 -5.178 -7.835 10.280 1.00 0.00 C ATOM 576 O LYS A 41 -5.848 -6.868 10.639 1.00 0.00 O ATOM 577 CB LYS A 41 -6.392 -9.960 9.764 1.00 0.00 C ATOM 578 CG LYS A 41 -6.965 -10.905 8.722 1.00 0.00 C ATOM 579 CD LYS A 41 -8.372 -10.499 8.314 1.00 0.00 C ATOM 580 CE LYS A 41 -8.734 -11.046 6.942 1.00 0.00 C ATOM 581 NZ LYS A 41 -10.206 -11.042 6.714 1.00 0.00 N ATOM 0 H LYS A 41 -4.600 -10.176 8.054 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.363 -8.195 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.698 -10.511 10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.200 -9.607 10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.319 -10.915 7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.979 -11.920 9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.086 -10.864 9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.450 -9.412 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.246 -10.448 6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.354 -12.063 6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.412 -11.422 5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.670 -11.633 7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.565 -10.068 6.781 1.00 0.00 H new ATOM 595 N ASN A 42 -4.006 -8.145 10.823 1.00 0.00 N ATOM 596 CA ASN A 42 -3.426 -7.347 11.897 1.00 0.00 C ATOM 597 C ASN A 42 -2.777 -6.081 11.345 1.00 0.00 C ATOM 598 O ASN A 42 -2.747 -5.045 12.010 1.00 0.00 O ATOM 599 CB ASN A 42 -2.393 -8.168 12.671 1.00 0.00 C ATOM 600 CG ASN A 42 -1.510 -7.305 13.551 1.00 0.00 C ATOM 601 OD1 ASN A 42 -1.998 -6.583 14.421 1.00 0.00 O ATOM 602 ND2 ASN A 42 -0.203 -7.377 13.329 1.00 0.00 N ATOM 0 H ASN A 42 -3.439 -8.943 10.537 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.229 -7.056 12.574 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.907 -8.905 13.288 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.771 -8.720 11.967 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.441 -6.820 13.891 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.157 -7.989 12.597 1.00 0.00 H new ATOM 609 N LEU A 43 -2.258 -6.173 10.126 1.00 0.00 N ATOM 610 CA LEU A 43 -1.609 -5.036 9.483 1.00 0.00 C ATOM 611 C LEU A 43 -2.642 -4.072 8.909 1.00 0.00 C ATOM 612 O LEU A 43 -2.336 -2.913 8.630 1.00 0.00 O ATOM 613 CB LEU A 43 -0.673 -5.518 8.373 1.00 0.00 C ATOM 614 CG LEU A 43 0.021 -4.426 7.559 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.127 -3.774 8.374 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.577 -4.998 6.263 1.00 0.00 C ATOM 0 H LEU A 43 -2.274 -7.023 9.563 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.026 -4.508 10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.093 -6.152 8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.245 -6.145 7.689 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.716 -3.663 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.610 -2.999 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.702 -3.328 9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.863 -4.527 8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.067 -4.206 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.299 -5.782 6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.237 -5.416 5.671 1.00 0.00 H new ATOM 628 N GLU A 44 -3.868 -4.559 8.739 1.00 0.00 N ATOM 629 CA GLU A 44 -4.946 -3.739 8.200 1.00 0.00 C ATOM 630 C GLU A 44 -4.877 -2.318 8.751 1.00 0.00 C ATOM 631 O GLU A 44 -4.770 -1.341 8.009 1.00 0.00 O ATOM 632 CB GLU A 44 -6.304 -4.361 8.532 1.00 0.00 C ATOM 633 CG GLU A 44 -7.411 -3.338 8.725 1.00 0.00 C ATOM 634 CD GLU A 44 -7.637 -2.483 7.493 1.00 0.00 C ATOM 635 OE1 GLU A 44 -7.867 -3.057 6.408 1.00 0.00 O ATOM 636 OE2 GLU A 44 -7.585 -1.242 7.614 1.00 0.00 O ATOM 0 H GLU A 44 -4.138 -5.516 8.967 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.829 -3.696 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.587 -5.044 7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.209 -4.957 9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.337 -3.854 8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.163 -2.694 9.569 1.00 0.00 H new ATOM 643 N PRO A 45 -4.941 -2.198 10.086 1.00 0.00 N ATOM 644 CA PRO A 45 -4.888 -0.901 10.767 1.00 0.00 C ATOM 645 C PRO A 45 -3.509 -0.255 10.677 1.00 0.00 C ATOM 646 O PRO A 45 -3.390 0.936 10.392 1.00 0.00 O ATOM 647 CB PRO A 45 -5.221 -1.250 12.220 1.00 0.00 C ATOM 648 CG PRO A 45 -4.819 -2.677 12.368 1.00 0.00 C ATOM 649 CD PRO A 45 -5.070 -3.318 11.032 1.00 0.00 C ATOM 0 HA PRO A 45 -5.570 -0.178 10.321 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.677 -0.611 12.915 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.283 -1.114 12.427 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.769 -2.760 12.649 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.398 -3.167 13.151 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.347 -4.106 10.822 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.060 -3.772 10.984 1.00 0.00 H new ATOM 657 N GLU A 46 -2.471 -1.049 10.921 1.00 0.00 N ATOM 658 CA GLU A 46 -1.101 -0.552 10.868 1.00 0.00 C ATOM 659 C GLU A 46 -0.813 0.105 9.521 1.00 0.00 C ATOM 660 O GLU A 46 0.027 0.999 9.422 1.00 0.00 O ATOM 661 CB GLU A 46 -0.112 -1.693 11.113 1.00 0.00 C ATOM 662 CG GLU A 46 0.068 -2.038 12.582 1.00 0.00 C ATOM 663 CD GLU A 46 -0.864 -3.143 13.040 1.00 0.00 C ATOM 664 OE1 GLU A 46 -0.586 -4.320 12.729 1.00 0.00 O ATOM 665 OE2 GLU A 46 -1.870 -2.830 13.709 1.00 0.00 O ATOM 0 H GLU A 46 -2.553 -2.038 11.157 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.982 0.197 11.651 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.454 -2.580 10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.856 -1.421 10.691 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.100 -2.343 12.756 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.107 -1.147 13.185 1.00 0.00 H new ATOM 672 N TRP A 47 -1.516 -0.345 8.488 1.00 0.00 N ATOM 673 CA TRP A 47 -1.336 0.199 7.146 1.00 0.00 C ATOM 674 C TRP A 47 -2.303 1.349 6.891 1.00 0.00 C ATOM 675 O TRP A 47 -1.966 2.316 6.208 1.00 0.00 O ATOM 676 CB TRP A 47 -1.539 -0.897 6.098 1.00 0.00 C ATOM 677 CG TRP A 47 -1.084 -0.499 4.727 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.869 -0.074 3.694 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.263 -0.491 4.240 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.092 0.198 2.594 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.219 -0.049 2.903 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.501 -0.812 4.803 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.366 0.077 2.124 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.638 -0.686 4.029 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.565 -0.244 2.701 1.00 0.00 C ATOM 0 H TRP A 47 -2.215 -1.085 8.553 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.318 0.581 7.069 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.997 -1.791 6.408 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.596 -1.162 6.060 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.943 0.033 3.735 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.436 0.530 1.693 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.568 -1.153 5.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.312 0.416 1.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.600 -0.932 4.454 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.472 -0.155 2.122 1.00 0.00 H new ATOM 696 N ALA A 48 -3.507 1.239 7.443 1.00 0.00 N ATOM 697 CA ALA A 48 -4.522 2.271 7.276 1.00 0.00 C ATOM 698 C ALA A 48 -4.029 3.615 7.802 1.00 0.00 C ATOM 699 O ALA A 48 -4.127 4.634 7.117 1.00 0.00 O ATOM 700 CB ALA A 48 -5.808 1.866 7.981 1.00 0.00 C ATOM 0 H ALA A 48 -3.803 0.445 8.010 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.724 2.379 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.557 2.646 7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.177 0.932 7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.612 1.729 9.044 1.00 0.00 H new ATOM 706 N ALA A 49 -3.501 3.611 9.021 1.00 0.00 N ATOM 707 CA ALA A 49 -2.992 4.830 9.638 1.00 0.00 C ATOM 708 C ALA A 49 -1.751 5.336 8.911 1.00 0.00 C ATOM 709 O ALA A 49 -1.643 6.521 8.597 1.00 0.00 O ATOM 710 CB ALA A 49 -2.683 4.588 11.108 1.00 0.00 C ATOM 0 H ALA A 49 -3.414 2.777 9.602 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.764 5.596 9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.304 5.506 11.556 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.592 4.280 11.625 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.932 3.804 11.197 1.00 0.00 H new ATOM 716 N ALA A 50 -0.815 4.430 8.646 1.00 0.00 N ATOM 717 CA ALA A 50 0.418 4.784 7.954 1.00 0.00 C ATOM 718 C ALA A 50 0.129 5.608 6.704 1.00 0.00 C ATOM 719 O ALA A 50 0.756 6.641 6.471 1.00 0.00 O ATOM 720 CB ALA A 50 1.200 3.530 7.593 1.00 0.00 C ATOM 0 H ALA A 50 -0.888 3.445 8.900 1.00 0.00 H new ATOM 0 HA ALA A 50 1.021 5.393 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.118 3.810 7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.447 2.981 8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.595 2.899 6.941 1.00 0.00 H new ATOM 726 N ALA A 51 -0.825 5.145 5.903 1.00 0.00 N ATOM 727 CA ALA A 51 -1.197 5.840 4.677 1.00 0.00 C ATOM 728 C ALA A 51 -1.515 7.306 4.952 1.00 0.00 C ATOM 729 O ALA A 51 -0.932 8.202 4.341 1.00 0.00 O ATOM 730 CB ALA A 51 -2.387 5.154 4.022 1.00 0.00 C ATOM 0 H ALA A 51 -1.354 4.291 6.081 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.348 5.801 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.654 5.684 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.126 4.123 3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.235 5.163 4.707 1.00 0.00 H new ATOM 736 N SER A 52 -2.442 7.543 5.875 1.00 0.00 N ATOM 737 CA SER A 52 -2.840 8.901 6.227 1.00 0.00 C ATOM 738 C SER A 52 -1.667 9.673 6.823 1.00 0.00 C ATOM 739 O SER A 52 -1.477 10.854 6.534 1.00 0.00 O ATOM 740 CB SER A 52 -4.003 8.872 7.220 1.00 0.00 C ATOM 741 OG SER A 52 -5.240 8.693 6.551 1.00 0.00 O ATOM 0 H SER A 52 -2.931 6.813 6.392 1.00 0.00 H new ATOM 0 HA SER A 52 -3.161 9.407 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.853 8.065 7.937 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.024 9.802 7.788 1.00 0.00 H new ATOM 0 HG SER A 52 -5.967 8.676 7.207 1.00 0.00 H new ATOM 747 N GLU A 53 -0.883 8.997 7.658 1.00 0.00 N ATOM 748 CA GLU A 53 0.271 9.619 8.295 1.00 0.00 C ATOM 749 C GLU A 53 1.344 9.959 7.265 1.00 0.00 C ATOM 750 O GLU A 53 2.116 10.901 7.445 1.00 0.00 O ATOM 751 CB GLU A 53 0.851 8.693 9.366 1.00 0.00 C ATOM 752 CG GLU A 53 2.187 9.162 9.918 1.00 0.00 C ATOM 753 CD GLU A 53 2.033 10.181 11.030 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.800 11.368 10.720 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.146 9.791 12.211 1.00 0.00 O ATOM 0 H GLU A 53 -1.027 8.019 7.909 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.061 10.544 8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.138 8.609 10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.972 7.695 8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.743 8.303 10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.777 9.597 9.111 1.00 0.00 H new ATOM 762 N VAL A 54 1.386 9.186 6.185 1.00 0.00 N ATOM 763 CA VAL A 54 2.363 9.404 5.125 1.00 0.00 C ATOM 764 C VAL A 54 1.925 10.532 4.198 1.00 0.00 C ATOM 765 O VAL A 54 2.741 11.343 3.759 1.00 0.00 O ATOM 766 CB VAL A 54 2.584 8.127 4.294 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.498 8.411 3.111 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.154 7.017 5.164 1.00 0.00 C ATOM 0 H VAL A 54 0.754 8.402 6.021 1.00 0.00 H new ATOM 0 HA VAL A 54 3.300 9.679 5.609 1.00 0.00 H new ATOM 0 HB VAL A 54 1.621 7.795 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.643 7.497 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.045 9.172 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.462 8.768 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.304 6.122 4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.108 7.336 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.459 6.796 5.974 1.00 0.00 H new ATOM 778 N LYS A 55 0.630 10.578 3.903 1.00 0.00 N ATOM 779 CA LYS A 55 0.081 11.608 3.028 1.00 0.00 C ATOM 780 C LYS A 55 0.015 12.953 3.745 1.00 0.00 C ATOM 781 O LYS A 55 0.085 14.006 3.114 1.00 0.00 O ATOM 782 CB LYS A 55 -1.315 11.206 2.548 1.00 0.00 C ATOM 783 CG LYS A 55 -2.429 11.637 3.486 1.00 0.00 C ATOM 784 CD LYS A 55 -3.799 11.394 2.874 1.00 0.00 C ATOM 785 CE LYS A 55 -4.908 11.960 3.748 1.00 0.00 C ATOM 786 NZ LYS A 55 -6.185 12.107 2.997 1.00 0.00 N ATOM 0 H LYS A 55 -0.059 9.914 4.257 1.00 0.00 H new ATOM 0 HA LYS A 55 0.741 11.707 2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.491 11.641 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.351 10.123 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.347 11.090 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.318 12.695 3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.844 11.852 1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.953 10.324 2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.064 11.306 4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.603 12.931 4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.916 12.495 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.043 12.751 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.490 11.177 2.645 1.00 0.00 H new ATOM 800 N GLU A 56 -0.118 12.908 5.067 1.00 0.00 N ATOM 801 CA GLU A 56 -0.191 14.123 5.869 1.00 0.00 C ATOM 802 C GLU A 56 1.193 14.739 6.052 1.00 0.00 C ATOM 803 O GLU A 56 1.331 15.958 6.160 1.00 0.00 O ATOM 804 CB GLU A 56 -0.813 13.824 7.235 1.00 0.00 C ATOM 805 CG GLU A 56 0.201 13.407 8.286 1.00 0.00 C ATOM 806 CD GLU A 56 -0.437 13.123 9.632 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.317 12.239 9.696 1.00 0.00 O ATOM 808 OE2 GLU A 56 -0.057 13.785 10.621 1.00 0.00 O ATOM 0 H GLU A 56 -0.177 12.043 5.605 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.821 14.838 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.344 14.709 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.554 13.032 7.122 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.729 12.517 7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.945 14.195 8.400 1.00 0.00 H new ATOM 815 N GLN A 57 2.213 13.888 6.085 1.00 0.00 N ATOM 816 CA GLN A 57 3.586 14.349 6.256 1.00 0.00 C ATOM 817 C GLN A 57 4.242 14.619 4.906 1.00 0.00 C ATOM 818 O GLN A 57 4.973 15.596 4.743 1.00 0.00 O ATOM 819 CB GLN A 57 4.400 13.313 7.034 1.00 0.00 C ATOM 820 CG GLN A 57 3.931 13.122 8.467 1.00 0.00 C ATOM 821 CD GLN A 57 4.826 12.186 9.255 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.482 12.595 10.213 1.00 0.00 O ATOM 823 NE2 GLN A 57 4.858 10.920 8.854 1.00 0.00 N ATOM 0 H GLN A 57 2.115 12.877 5.996 1.00 0.00 H new ATOM 0 HA GLN A 57 3.562 15.281 6.820 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.348 12.357 6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.447 13.616 7.041 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.896 14.091 8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.914 12.729 8.463 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.298 10.624 8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.443 10.244 9.346 1.00 0.00 H new ATOM 832 N THR A 58 3.976 13.746 3.939 1.00 0.00 N ATOM 833 CA THR A 58 4.541 13.889 2.604 1.00 0.00 C ATOM 834 C THR A 58 3.702 14.834 1.750 1.00 0.00 C ATOM 835 O THR A 58 3.770 14.802 0.521 1.00 0.00 O ATOM 836 CB THR A 58 4.647 12.529 1.890 1.00 0.00 C ATOM 837 OG1 THR A 58 3.345 12.076 1.501 1.00 0.00 O ATOM 838 CG2 THR A 58 5.301 11.493 2.793 1.00 0.00 C ATOM 0 H THR A 58 3.372 12.932 4.056 1.00 0.00 H new ATOM 0 HA THR A 58 5.541 14.305 2.727 1.00 0.00 H new ATOM 0 HB THR A 58 5.266 12.657 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.760 12.047 2.287 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.365 10.540 2.267 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.303 11.826 3.063 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.704 11.369 3.697 1.00 0.00 H new ATOM 846 N LYS A 59 2.912 15.675 2.409 1.00 0.00 N ATOM 847 CA LYS A 59 2.061 16.631 1.711 1.00 0.00 C ATOM 848 C LYS A 59 1.242 15.940 0.626 1.00 0.00 C ATOM 849 O LYS A 59 0.849 16.562 -0.360 1.00 0.00 O ATOM 850 CB LYS A 59 2.910 17.745 1.093 1.00 0.00 C ATOM 851 CG LYS A 59 3.558 18.657 2.120 1.00 0.00 C ATOM 852 CD LYS A 59 2.581 19.698 2.637 1.00 0.00 C ATOM 853 CE LYS A 59 2.450 20.867 1.673 1.00 0.00 C ATOM 854 NZ LYS A 59 1.983 22.103 2.359 1.00 0.00 N ATOM 0 H LYS A 59 2.844 15.714 3.426 1.00 0.00 H new ATOM 0 HA LYS A 59 1.375 17.066 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.688 17.297 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.283 18.344 0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.931 18.061 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.419 19.155 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.604 19.238 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.916 20.062 3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.413 21.057 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.750 20.606 0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.907 22.876 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.052 21.930 2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.663 22.367 3.100 1.00 0.00 H new ATOM 868 N GLY A 60 0.986 14.649 0.816 1.00 0.00 N ATOM 869 CA GLY A 60 0.214 13.895 -0.155 1.00 0.00 C ATOM 870 C GLY A 60 1.048 13.449 -1.339 1.00 0.00 C ATOM 871 O GLY A 60 0.531 13.278 -2.443 1.00 0.00 O ATOM 0 H GLY A 60 1.299 14.112 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.219 13.020 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.616 14.507 -0.509 1.00 0.00 H new ATOM 875 N LYS A 61 2.343 13.261 -1.111 1.00 0.00 N ATOM 876 CA LYS A 61 3.252 12.832 -2.167 1.00 0.00 C ATOM 877 C LYS A 61 3.314 11.310 -2.248 1.00 0.00 C ATOM 878 O LYS A 61 2.967 10.718 -3.269 1.00 0.00 O ATOM 879 CB LYS A 61 4.654 13.398 -1.924 1.00 0.00 C ATOM 880 CG LYS A 61 5.733 12.729 -2.757 1.00 0.00 C ATOM 881 CD LYS A 61 5.596 13.077 -4.230 1.00 0.00 C ATOM 882 CE LYS A 61 6.751 12.515 -5.045 1.00 0.00 C ATOM 883 NZ LYS A 61 6.732 13.011 -6.449 1.00 0.00 N ATOM 0 H LYS A 61 2.787 13.399 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 61 2.872 13.213 -3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.648 14.466 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.902 13.290 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.715 13.039 -2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.674 11.648 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.654 12.683 -4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.560 14.160 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.695 12.791 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.700 11.426 -5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.376 12.436 -7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.767 12.940 -6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.040 14.004 -6.471 1.00 0.00 H new ATOM 897 N VAL A 62 3.757 10.682 -1.163 1.00 0.00 N ATOM 898 CA VAL A 62 3.861 9.229 -1.110 1.00 0.00 C ATOM 899 C VAL A 62 2.518 8.594 -0.769 1.00 0.00 C ATOM 900 O VAL A 62 2.032 8.706 0.356 1.00 0.00 O ATOM 901 CB VAL A 62 4.907 8.779 -0.073 1.00 0.00 C ATOM 902 CG1 VAL A 62 5.245 7.307 -0.259 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.159 9.638 -0.171 1.00 0.00 C ATOM 0 H VAL A 62 4.049 11.157 -0.309 1.00 0.00 H new ATOM 0 HA VAL A 62 4.175 8.898 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 62 4.483 8.907 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.986 7.007 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.343 6.708 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.649 7.150 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.887 9.306 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.587 9.544 -1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.901 10.680 0.017 1.00 0.00 H new ATOM 913 N LYS A 63 1.921 7.924 -1.750 1.00 0.00 N ATOM 914 CA LYS A 63 0.633 7.268 -1.555 1.00 0.00 C ATOM 915 C LYS A 63 0.822 5.821 -1.111 1.00 0.00 C ATOM 916 O LYS A 63 1.857 5.209 -1.378 1.00 0.00 O ATOM 917 CB LYS A 63 -0.185 7.313 -2.847 1.00 0.00 C ATOM 918 CG LYS A 63 -0.515 8.722 -3.309 1.00 0.00 C ATOM 919 CD LYS A 63 -0.747 8.777 -4.810 1.00 0.00 C ATOM 920 CE LYS A 63 -1.705 9.897 -5.185 1.00 0.00 C ATOM 921 NZ LYS A 63 -1.522 10.334 -6.597 1.00 0.00 N ATOM 0 H LYS A 63 2.309 7.821 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 63 0.095 7.803 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.368 6.801 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.113 6.761 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.405 9.077 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.300 9.394 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.204 8.924 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.149 7.823 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.732 9.561 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.550 10.746 -4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.193 11.098 -6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.550 10.679 -6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.695 9.531 -7.234 1.00 0.00 H new ATOM 935 N LEU A 64 -0.184 5.279 -0.434 1.00 0.00 N ATOM 936 CA LEU A 64 -0.130 3.903 0.046 1.00 0.00 C ATOM 937 C LEU A 64 -1.332 3.106 -0.449 1.00 0.00 C ATOM 938 O LEU A 64 -2.477 3.434 -0.141 1.00 0.00 O ATOM 939 CB LEU A 64 -0.081 3.877 1.575 1.00 0.00 C ATOM 940 CG LEU A 64 1.313 3.897 2.202 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.916 5.290 2.119 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.254 3.425 3.648 1.00 0.00 C ATOM 0 H LEU A 64 -1.047 5.772 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 64 0.776 3.442 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.639 4.734 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.600 2.983 1.920 1.00 0.00 H new ATOM 0 HG LEU A 64 1.952 3.213 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.908 5.284 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.994 5.591 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.279 5.995 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.255 3.446 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.600 4.083 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.865 2.407 3.683 1.00 0.00 H new ATOM 954 N ALA A 65 -1.063 2.055 -1.217 1.00 0.00 N ATOM 955 CA ALA A 65 -2.122 1.208 -1.752 1.00 0.00 C ATOM 956 C ALA A 65 -1.878 -0.258 -1.412 1.00 0.00 C ATOM 957 O ALA A 65 -0.821 -0.616 -0.892 1.00 0.00 O ATOM 958 CB ALA A 65 -2.234 1.391 -3.258 1.00 0.00 C ATOM 0 H ALA A 65 -0.120 1.770 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.062 1.509 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.029 0.753 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.464 2.433 -3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.289 1.119 -3.729 1.00 0.00 H new ATOM 964 N ALA A 66 -2.861 -1.102 -1.707 1.00 0.00 N ATOM 965 CA ALA A 66 -2.751 -2.529 -1.433 1.00 0.00 C ATOM 966 C ALA A 66 -3.134 -3.354 -2.658 1.00 0.00 C ATOM 967 O ALA A 66 -3.783 -2.855 -3.577 1.00 0.00 O ATOM 968 CB ALA A 66 -3.624 -2.907 -0.246 1.00 0.00 C ATOM 0 H ALA A 66 -3.743 -0.822 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.711 -2.748 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.532 -3.976 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.303 -2.350 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.664 -2.667 -0.468 1.00 0.00 H new ATOM 974 N VAL A 67 -2.726 -4.619 -2.664 1.00 0.00 N ATOM 975 CA VAL A 67 -3.027 -5.514 -3.775 1.00 0.00 C ATOM 976 C VAL A 67 -3.196 -6.950 -3.295 1.00 0.00 C ATOM 977 O VAL A 67 -2.295 -7.521 -2.680 1.00 0.00 O ATOM 978 CB VAL A 67 -1.920 -5.470 -4.846 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.214 -6.464 -5.959 1.00 0.00 C ATOM 980 CG2 VAL A 67 -1.774 -4.062 -5.403 1.00 0.00 C ATOM 0 H VAL A 67 -2.186 -5.047 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.963 -5.169 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.976 -5.752 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.422 -6.419 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.264 -7.471 -5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.167 -6.216 -6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.988 -4.049 -6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.716 -3.750 -5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.513 -3.377 -4.596 1.00 0.00 H new ATOM 990 N ASP A 68 -4.357 -7.530 -3.578 1.00 0.00 N ATOM 991 CA ASP A 68 -4.646 -8.902 -3.176 1.00 0.00 C ATOM 992 C ASP A 68 -3.889 -9.895 -4.052 1.00 0.00 C ATOM 993 O ASP A 68 -4.325 -10.224 -5.154 1.00 0.00 O ATOM 994 CB ASP A 68 -6.149 -9.174 -3.256 1.00 0.00 C ATOM 995 CG ASP A 68 -6.702 -8.963 -4.652 1.00 0.00 C ATOM 996 OD1 ASP A 68 -5.959 -8.446 -5.513 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.877 -9.315 -4.883 1.00 0.00 O ATOM 0 H ASP A 68 -5.114 -7.071 -4.085 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.317 -9.030 -2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.347 -10.198 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.671 -8.519 -2.559 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.751 -10.368 -3.554 1.00 0.00 N ATOM 1003 CA ALA A 69 -1.934 -11.324 -4.290 1.00 0.00 C ATOM 1004 C ALA A 69 -2.755 -12.538 -4.712 1.00 0.00 C ATOM 1005 O ALA A 69 -2.333 -13.321 -5.564 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.742 -11.758 -3.450 1.00 0.00 C ATOM 0 H ALA A 69 -2.374 -10.104 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.569 -10.833 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.141 -12.472 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.134 -10.887 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.095 -12.226 -2.531 1.00 0.00 H new ATOM 1012 N THR A 70 -3.931 -12.690 -4.110 1.00 0.00 N ATOM 1013 CA THR A 70 -4.810 -13.809 -4.422 1.00 0.00 C ATOM 1014 C THR A 70 -5.508 -13.603 -5.762 1.00 0.00 C ATOM 1015 O THR A 70 -5.867 -14.566 -6.441 1.00 0.00 O ATOM 1016 CB THR A 70 -5.875 -14.009 -3.327 1.00 0.00 C ATOM 1017 OG1 THR A 70 -6.659 -12.820 -3.183 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.224 -14.358 -1.997 1.00 0.00 C ATOM 0 H THR A 70 -4.296 -12.051 -3.403 1.00 0.00 H new ATOM 0 HA THR A 70 -4.182 -14.699 -4.475 1.00 0.00 H new ATOM 0 HB THR A 70 -6.521 -14.835 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.335 -12.956 -2.486 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.995 -14.495 -1.239 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.652 -15.280 -2.103 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.558 -13.550 -1.695 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.698 -12.342 -6.138 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.351 -12.010 -7.398 1.00 0.00 C ATOM 1028 C VAL A 71 -5.360 -11.412 -8.390 1.00 0.00 C ATOM 1029 O VAL A 71 -5.430 -11.679 -9.589 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.510 -11.018 -7.184 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.244 -10.764 -8.492 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.465 -11.535 -6.119 1.00 0.00 C ATOM 0 H VAL A 71 -5.409 -11.534 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.749 -12.940 -7.804 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.095 -10.071 -6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.059 -10.061 -8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.551 -10.346 -9.223 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.648 -11.703 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.277 -10.821 -5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.875 -12.495 -6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.928 -11.660 -5.179 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.437 -10.603 -7.881 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.431 -9.966 -8.723 1.00 0.00 C ATOM 1044 C ASN A 72 -2.273 -10.920 -9.003 1.00 0.00 C ATOM 1045 O ASN A 72 -1.466 -11.206 -8.120 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.907 -8.693 -8.055 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.808 -7.498 -8.301 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.442 -6.568 -9.019 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.994 -7.519 -7.704 1.00 0.00 N ATOM 0 H ASN A 72 -4.365 -10.373 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.901 -9.704 -9.671 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.815 -8.860 -6.982 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.907 -8.474 -8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.643 -6.743 -7.832 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.256 -8.311 -7.117 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.201 -11.408 -10.237 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.142 -12.329 -10.633 1.00 0.00 C ATOM 1058 C GLN A 73 -0.170 -11.659 -11.598 1.00 0.00 C ATOM 1059 O GLN A 73 1.032 -11.926 -11.569 1.00 0.00 O ATOM 1060 CB GLN A 73 -1.741 -13.579 -11.280 1.00 0.00 C ATOM 1061 CG GLN A 73 -2.661 -14.361 -10.356 1.00 0.00 C ATOM 1062 CD GLN A 73 -1.909 -15.337 -9.473 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.330 -16.310 -9.957 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -1.915 -15.082 -8.170 1.00 0.00 N ATOM 0 H GLN A 73 -2.863 -11.181 -10.979 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.593 -12.619 -9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.297 -13.286 -12.170 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.932 -14.230 -11.610 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.218 -13.664 -9.729 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.392 -14.906 -10.953 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.408 -14.264 -7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.426 -15.704 -7.526 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.697 -10.787 -12.451 1.00 0.00 N ATOM 1074 CA VAL A 74 0.125 -10.078 -13.425 1.00 0.00 C ATOM 1075 C VAL A 74 1.279 -9.352 -12.744 1.00 0.00 C ATOM 1076 O VAL A 74 2.383 -9.271 -13.286 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.707 -9.059 -14.226 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.154 -8.372 -15.275 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.906 -9.740 -14.870 1.00 0.00 C ATOM 0 H VAL A 74 -1.689 -10.554 -12.488 1.00 0.00 H new ATOM 0 HA VAL A 74 0.524 -10.828 -14.109 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.076 -8.297 -13.539 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.451 -7.656 -15.831 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.976 -7.850 -14.786 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.555 -9.118 -15.962 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.483 -9.006 -15.432 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.561 -10.523 -15.545 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.534 -10.179 -14.095 1.00 0.00 H new ATOM 1089 N LEU A 75 1.019 -8.824 -11.553 1.00 0.00 N ATOM 1090 CA LEU A 75 2.037 -8.104 -10.796 1.00 0.00 C ATOM 1091 C LEU A 75 2.784 -9.045 -9.856 1.00 0.00 C ATOM 1092 O LEU A 75 4.014 -9.072 -9.838 1.00 0.00 O ATOM 1093 CB LEU A 75 1.397 -6.968 -9.996 1.00 0.00 C ATOM 1094 CG LEU A 75 0.330 -6.151 -10.726 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.511 -5.364 -9.734 1.00 0.00 C ATOM 1096 CD2 LEU A 75 0.975 -5.217 -11.741 1.00 0.00 C ATOM 0 H LEU A 75 0.112 -8.881 -11.091 1.00 0.00 H new ATOM 0 HA LEU A 75 2.752 -7.684 -11.504 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.950 -7.391 -9.096 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.186 -6.290 -9.671 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.325 -6.839 -11.260 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.265 -4.789 -10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.002 -6.053 -9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.130 -4.685 -9.171 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.201 -4.644 -12.251 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.653 -4.535 -11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.533 -5.803 -12.471 1.00 0.00 H new ATOM 1108 N ALA A 76 2.031 -9.816 -9.078 1.00 0.00 N ATOM 1109 CA ALA A 76 2.622 -10.761 -8.138 1.00 0.00 C ATOM 1110 C ALA A 76 3.721 -11.583 -8.804 1.00 0.00 C ATOM 1111 O ALA A 76 4.765 -11.839 -8.206 1.00 0.00 O ATOM 1112 CB ALA A 76 1.549 -11.676 -7.566 1.00 0.00 C ATOM 0 H ALA A 76 1.011 -9.805 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 76 3.072 -10.193 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.004 -12.377 -6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.800 -11.078 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.073 -12.230 -8.376 1.00 0.00 H new ATOM 1118 N SER A 77 3.477 -11.993 -10.045 1.00 0.00 N ATOM 1119 CA SER A 77 4.444 -12.790 -10.790 1.00 0.00 C ATOM 1120 C SER A 77 5.578 -11.916 -11.317 1.00 0.00 C ATOM 1121 O SER A 77 6.739 -12.326 -11.329 1.00 0.00 O ATOM 1122 CB SER A 77 3.757 -13.508 -11.953 1.00 0.00 C ATOM 1123 OG SER A 77 4.677 -14.309 -12.673 1.00 0.00 O ATOM 0 H SER A 77 2.618 -11.786 -10.555 1.00 0.00 H new ATOM 0 HA SER A 77 4.865 -13.532 -10.111 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.948 -14.131 -11.573 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.307 -12.775 -12.622 1.00 0.00 H new ATOM 0 HG SER A 77 4.213 -14.758 -13.410 1.00 0.00 H new ATOM 1129 N ARG A 78 5.232 -10.708 -11.751 1.00 0.00 N ATOM 1130 CA ARG A 78 6.220 -9.775 -12.280 1.00 0.00 C ATOM 1131 C ARG A 78 7.363 -9.573 -11.289 1.00 0.00 C ATOM 1132 O ARG A 78 8.536 -9.670 -11.651 1.00 0.00 O ATOM 1133 CB ARG A 78 5.563 -8.430 -12.598 1.00 0.00 C ATOM 1134 CG ARG A 78 6.511 -7.424 -13.230 1.00 0.00 C ATOM 1135 CD ARG A 78 5.899 -6.033 -13.272 1.00 0.00 C ATOM 1136 NE ARG A 78 6.883 -5.012 -13.624 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.564 -3.762 -13.942 1.00 0.00 C ATOM 1138 NH1 ARG A 78 5.294 -3.380 -13.950 1.00 0.00 N ATOM 1139 NH2 ARG A 78 7.516 -2.891 -14.251 1.00 0.00 N ATOM 0 H ARG A 78 4.276 -10.353 -11.747 1.00 0.00 H new ATOM 0 HA ARG A 78 6.628 -10.199 -13.197 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.722 -8.596 -13.271 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.157 -8.007 -11.679 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.443 -7.396 -12.665 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.761 -7.744 -14.242 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.085 -6.017 -13.997 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.465 -5.798 -12.300 1.00 0.00 H new ATOM 0 HE ARG A 78 7.869 -5.273 -13.626 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.559 -4.046 -13.712 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.052 -2.420 -14.194 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.494 -3.181 -14.245 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.270 -1.932 -14.495 1.00 0.00 H new ATOM 1153 N TYR A 79 7.012 -9.293 -10.039 1.00 0.00 N ATOM 1154 CA TYR A 79 8.008 -9.074 -8.997 1.00 0.00 C ATOM 1155 C TYR A 79 8.198 -10.331 -8.153 1.00 0.00 C ATOM 1156 O TYR A 79 9.213 -10.491 -7.477 1.00 0.00 O ATOM 1157 CB TYR A 79 7.594 -7.904 -8.103 1.00 0.00 C ATOM 1158 CG TYR A 79 7.103 -6.699 -8.873 1.00 0.00 C ATOM 1159 CD1 TYR A 79 7.992 -5.733 -9.330 1.00 0.00 C ATOM 1160 CD2 TYR A 79 5.751 -6.525 -9.142 1.00 0.00 C ATOM 1161 CE1 TYR A 79 7.548 -4.629 -10.033 1.00 0.00 C ATOM 1162 CE2 TYR A 79 5.299 -5.425 -9.846 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.201 -4.480 -10.288 1.00 0.00 C ATOM 1164 OH TYR A 79 5.754 -3.383 -10.988 1.00 0.00 O ATOM 0 H TYR A 79 6.046 -9.212 -9.723 1.00 0.00 H new ATOM 0 HA TYR A 79 8.955 -8.835 -9.480 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.808 -8.236 -7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.444 -7.610 -7.487 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.048 -5.847 -9.132 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.041 -7.262 -8.795 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.252 -3.887 -10.381 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.245 -5.306 -10.049 1.00 0.00 H new ATOM 0 HH TYR A 79 5.582 -2.646 -10.366 1.00 0.00 H new ATOM 1174 N GLY A 80 7.212 -11.222 -8.199 1.00 0.00 N ATOM 1175 CA GLY A 80 7.289 -12.453 -7.436 1.00 0.00 C ATOM 1176 C GLY A 80 6.925 -12.255 -5.978 1.00 0.00 C ATOM 1177 O GLY A 80 7.803 -12.144 -5.122 1.00 0.00 O ATOM 0 H GLY A 80 6.361 -11.113 -8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.621 -13.193 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.299 -12.856 -7.504 1.00 0.00 H new ATOM 1181 N ILE A 81 5.627 -12.210 -5.694 1.00 0.00 N ATOM 1182 CA ILE A 81 5.150 -12.023 -4.330 1.00 0.00 C ATOM 1183 C ILE A 81 4.478 -13.287 -3.804 1.00 0.00 C ATOM 1184 O ILE A 81 3.359 -13.617 -4.197 1.00 0.00 O ATOM 1185 CB ILE A 81 4.157 -10.850 -4.236 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.726 -9.614 -4.934 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.835 -10.543 -2.781 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.941 -9.035 -4.243 1.00 0.00 C ATOM 0 H ILE A 81 4.888 -12.301 -6.391 1.00 0.00 H new ATOM 0 HA ILE A 81 6.024 -11.798 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 81 3.233 -11.135 -4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.991 -9.875 -5.959 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.951 -8.849 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.132 -9.712 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.391 -11.422 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.751 -10.275 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.291 -8.161 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.677 -8.742 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.732 -9.784 -4.211 1.00 0.00 H new ATOM 1200 N ARG A 82 5.168 -13.991 -2.912 1.00 0.00 N ATOM 1201 CA ARG A 82 4.638 -15.219 -2.332 1.00 0.00 C ATOM 1202 C ARG A 82 4.636 -15.143 -0.808 1.00 0.00 C ATOM 1203 O ARG A 82 3.963 -15.926 -0.139 1.00 0.00 O ATOM 1204 CB ARG A 82 5.462 -16.423 -2.793 1.00 0.00 C ATOM 1205 CG ARG A 82 5.526 -16.574 -4.304 1.00 0.00 C ATOM 1206 CD ARG A 82 6.529 -15.610 -4.918 1.00 0.00 C ATOM 1207 NE ARG A 82 7.045 -16.096 -6.195 1.00 0.00 N ATOM 1208 CZ ARG A 82 7.952 -17.061 -6.302 1.00 0.00 C ATOM 1209 NH1 ARG A 82 8.441 -17.640 -5.214 1.00 0.00 N ATOM 1210 NH2 ARG A 82 8.371 -17.448 -7.500 1.00 0.00 N ATOM 0 H ARG A 82 6.095 -13.732 -2.575 1.00 0.00 H new ATOM 0 HA ARG A 82 3.610 -15.339 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.475 -16.330 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.036 -17.330 -2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.802 -17.598 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.539 -16.395 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.056 -14.639 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.358 -15.460 -4.226 1.00 0.00 H new ATOM 0 HE ARG A 82 6.690 -15.671 -7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.121 -17.345 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.137 -18.381 -5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.997 -17.005 -8.339 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.067 -18.189 -7.582 1.00 0.00 H new ATOM 1224 N GLY A 83 5.395 -14.195 -0.267 1.00 0.00 N ATOM 1225 CA GLY A 83 5.467 -14.036 1.174 1.00 0.00 C ATOM 1226 C GLY A 83 4.853 -12.732 1.644 1.00 0.00 C ATOM 1227 O GLY A 83 5.518 -11.696 1.667 1.00 0.00 O ATOM 0 H GLY A 83 5.961 -13.535 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.955 -14.869 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.509 -14.078 1.490 1.00 0.00 H new ATOM 1231 N PHE A 84 3.579 -12.781 2.019 1.00 0.00 N ATOM 1232 CA PHE A 84 2.874 -11.593 2.488 1.00 0.00 C ATOM 1233 C PHE A 84 2.905 -11.509 4.011 1.00 0.00 C ATOM 1234 O PHE A 84 3.022 -12.514 4.712 1.00 0.00 O ATOM 1235 CB PHE A 84 1.425 -11.607 1.997 1.00 0.00 C ATOM 1236 CG PHE A 84 1.240 -12.331 0.694 1.00 0.00 C ATOM 1237 CD1 PHE A 84 2.120 -12.128 -0.358 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.188 -13.216 0.520 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.952 -12.792 -1.558 1.00 0.00 C ATOM 1240 CE2 PHE A 84 0.015 -13.884 -0.678 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.899 -13.672 -1.717 1.00 0.00 C ATOM 0 H PHE A 84 3.014 -13.630 2.007 1.00 0.00 H new ATOM 0 HA PHE A 84 3.380 -10.717 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.797 -12.075 2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.078 -10.580 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.946 -11.443 -0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.505 -13.386 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.643 -12.623 -2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.810 -14.570 -0.801 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.767 -14.194 -2.653 1.00 0.00 H new ATOM 1251 N PRO A 85 2.800 -10.279 4.537 1.00 0.00 N ATOM 1252 CA PRO A 85 2.661 -9.075 3.713 1.00 0.00 C ATOM 1253 C PRO A 85 3.939 -8.745 2.949 1.00 0.00 C ATOM 1254 O PRO A 85 5.023 -9.213 3.299 1.00 0.00 O ATOM 1255 CB PRO A 85 2.352 -7.979 4.736 1.00 0.00 C ATOM 1256 CG PRO A 85 2.943 -8.473 6.011 1.00 0.00 C ATOM 1257 CD PRO A 85 2.808 -9.970 5.977 1.00 0.00 C ATOM 0 HA PRO A 85 1.894 -9.191 2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.790 -7.026 4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.278 -7.820 4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.989 -8.177 6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.421 -8.054 6.871 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.636 -10.460 6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.891 -10.302 6.464 1.00 0.00 H new ATOM 1265 N THR A 86 3.806 -7.935 1.903 1.00 0.00 N ATOM 1266 CA THR A 86 4.950 -7.543 1.089 1.00 0.00 C ATOM 1267 C THR A 86 4.844 -6.085 0.659 1.00 0.00 C ATOM 1268 O THR A 86 4.046 -5.742 -0.214 1.00 0.00 O ATOM 1269 CB THR A 86 5.077 -8.429 -0.165 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.642 -9.761 0.130 1.00 0.00 O ATOM 1271 CG2 THR A 86 6.514 -8.458 -0.663 1.00 0.00 C ATOM 0 H THR A 86 2.917 -7.538 1.600 1.00 0.00 H new ATOM 0 HA THR A 86 5.838 -7.673 1.708 1.00 0.00 H new ATOM 0 HB THR A 86 4.446 -8.006 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.211 -10.144 0.830 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.579 -9.090 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.832 -7.446 -0.914 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.161 -8.859 0.117 1.00 0.00 H new ATOM 1279 N ILE A 87 5.653 -5.231 1.275 1.00 0.00 N ATOM 1280 CA ILE A 87 5.651 -3.809 0.954 1.00 0.00 C ATOM 1281 C ILE A 87 6.759 -3.468 -0.038 1.00 0.00 C ATOM 1282 O ILE A 87 7.935 -3.732 0.213 1.00 0.00 O ATOM 1283 CB ILE A 87 5.825 -2.946 2.217 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.708 -3.240 3.220 1.00 0.00 C ATOM 1285 CG2 ILE A 87 5.841 -1.469 1.851 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.126 -3.055 4.662 1.00 0.00 C ATOM 0 H ILE A 87 6.319 -5.499 2.000 1.00 0.00 H new ATOM 0 HA ILE A 87 4.683 -3.589 0.504 1.00 0.00 H new ATOM 0 HB ILE A 87 6.779 -3.196 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.861 -2.587 3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.364 -4.265 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.965 -0.872 2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.669 -1.272 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.901 -1.204 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.284 -3.281 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.953 -3.727 4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.442 -2.024 4.820 1.00 0.00 H new ATOM 1298 N LYS A 88 6.375 -2.879 -1.165 1.00 0.00 N ATOM 1299 CA LYS A 88 7.335 -2.498 -2.195 1.00 0.00 C ATOM 1300 C LYS A 88 7.118 -1.053 -2.632 1.00 0.00 C ATOM 1301 O LYS A 88 5.981 -0.604 -2.785 1.00 0.00 O ATOM 1302 CB LYS A 88 7.216 -3.430 -3.402 1.00 0.00 C ATOM 1303 CG LYS A 88 7.482 -4.889 -3.073 1.00 0.00 C ATOM 1304 CD LYS A 88 8.955 -5.233 -3.215 1.00 0.00 C ATOM 1305 CE LYS A 88 9.152 -6.695 -3.586 1.00 0.00 C ATOM 1306 NZ LYS A 88 10.595 -7.056 -3.667 1.00 0.00 N ATOM 0 H LYS A 88 5.405 -2.655 -1.389 1.00 0.00 H new ATOM 0 HA LYS A 88 8.336 -2.586 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.215 -3.338 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.917 -3.106 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.155 -5.099 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.893 -5.525 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.406 -4.599 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.471 -5.021 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.660 -7.327 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.673 -6.894 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.688 -8.060 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.059 -6.471 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.047 -6.890 -2.745 1.00 0.00 H new ATOM 1320 N ILE A 89 8.215 -0.329 -2.833 1.00 0.00 N ATOM 1321 CA ILE A 89 8.144 1.064 -3.256 1.00 0.00 C ATOM 1322 C ILE A 89 8.352 1.193 -4.761 1.00 0.00 C ATOM 1323 O ILE A 89 9.133 0.451 -5.356 1.00 0.00 O ATOM 1324 CB ILE A 89 9.191 1.927 -2.528 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.823 2.076 -1.050 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.307 3.291 -3.191 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.378 0.975 -0.175 1.00 0.00 C ATOM 0 H ILE A 89 9.163 -0.685 -2.710 1.00 0.00 H new ATOM 0 HA ILE A 89 7.147 1.422 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 89 10.159 1.430 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 89 9.190 3.036 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.737 2.093 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.051 3.889 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.611 3.166 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.342 3.797 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 89 9.078 1.146 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.991 0.013 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.466 0.972 -0.241 1.00 0.00 H new ATOM 1339 N PHE A 90 7.649 2.142 -5.370 1.00 0.00 N ATOM 1340 CA PHE A 90 7.757 2.370 -6.806 1.00 0.00 C ATOM 1341 C PHE A 90 8.034 3.841 -7.104 1.00 0.00 C ATOM 1342 O PHE A 90 7.146 4.686 -6.986 1.00 0.00 O ATOM 1343 CB PHE A 90 6.474 1.928 -7.513 1.00 0.00 C ATOM 1344 CG PHE A 90 6.265 0.440 -7.499 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.608 -0.170 -6.443 1.00 0.00 C ATOM 1346 CD2 PHE A 90 6.726 -0.347 -8.541 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.413 -1.539 -6.427 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.534 -1.716 -8.531 1.00 0.00 C ATOM 1349 CZ PHE A 90 5.878 -2.312 -7.473 1.00 0.00 C ATOM 0 H PHE A 90 6.999 2.765 -4.892 1.00 0.00 H new ATOM 0 HA PHE A 90 8.592 1.778 -7.180 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.621 2.411 -7.037 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.500 2.274 -8.546 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.244 0.431 -5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.241 0.114 -9.371 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.898 -2.003 -5.598 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.897 -2.319 -9.350 1.00 0.00 H new ATOM 0 HZ PHE A 90 5.728 -3.382 -7.463 1.00 0.00 H new ATOM 1359 N GLN A 91 9.270 4.139 -7.491 1.00 0.00 N ATOM 1360 CA GLN A 91 9.664 5.507 -7.804 1.00 0.00 C ATOM 1361 C GLN A 91 9.914 5.673 -9.300 1.00 0.00 C ATOM 1362 O GLN A 91 10.895 5.159 -9.837 1.00 0.00 O ATOM 1363 CB GLN A 91 10.919 5.891 -7.020 1.00 0.00 C ATOM 1364 CG GLN A 91 10.726 5.868 -5.512 1.00 0.00 C ATOM 1365 CD GLN A 91 12.033 5.986 -4.754 1.00 0.00 C ATOM 1366 OE1 GLN A 91 12.928 6.734 -5.149 1.00 0.00 O ATOM 1367 NE2 GLN A 91 12.150 5.247 -3.657 1.00 0.00 N ATOM 0 H GLN A 91 10.016 3.451 -7.595 1.00 0.00 H new ATOM 0 HA GLN A 91 8.847 6.168 -7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.726 5.208 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 91 11.235 6.890 -7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.067 6.686 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.228 4.941 -5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.383 4.641 -3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.007 5.286 -3.105 1.00 0.00 H new ATOM 1376 N LYS A 92 9.019 6.393 -9.968 1.00 0.00 N ATOM 1377 CA LYS A 92 9.142 6.628 -11.401 1.00 0.00 C ATOM 1378 C LYS A 92 10.564 7.042 -11.765 1.00 0.00 C ATOM 1379 O LYS A 92 11.081 8.035 -11.255 1.00 0.00 O ATOM 1380 CB LYS A 92 8.155 7.708 -11.848 1.00 0.00 C ATOM 1381 CG LYS A 92 7.900 7.717 -13.346 1.00 0.00 C ATOM 1382 CD LYS A 92 7.135 6.482 -13.789 1.00 0.00 C ATOM 1383 CE LYS A 92 6.300 6.758 -15.030 1.00 0.00 C ATOM 1384 NZ LYS A 92 5.786 5.502 -15.644 1.00 0.00 N ATOM 0 H LYS A 92 8.200 6.824 -9.539 1.00 0.00 H new ATOM 0 HA LYS A 92 8.911 5.696 -11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.209 7.561 -11.328 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.536 8.684 -11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.337 8.611 -13.615 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.850 7.767 -13.877 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.836 5.673 -13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.486 6.145 -12.980 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.462 7.403 -14.767 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.902 7.299 -15.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.169 5.404 -16.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.082 4.688 -15.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.747 5.536 -15.687 1.00 0.00 H new ATOM 1398 N GLY A 93 11.191 6.275 -12.652 1.00 0.00 N ATOM 1399 CA GLY A 93 12.547 6.579 -13.069 1.00 0.00 C ATOM 1400 C GLY A 93 13.457 5.368 -13.013 1.00 0.00 C ATOM 1401 O GLY A 93 14.265 5.150 -13.915 1.00 0.00 O ATOM 0 H GLY A 93 10.784 5.448 -13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.532 6.971 -14.086 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.953 7.364 -12.431 1.00 0.00 H new ATOM 1405 N GLU A 94 13.326 4.581 -11.950 1.00 0.00 N ATOM 1406 CA GLU A 94 14.146 3.387 -11.780 1.00 0.00 C ATOM 1407 C GLU A 94 13.322 2.239 -11.202 1.00 0.00 C ATOM 1408 O GLU A 94 12.158 2.415 -10.845 1.00 0.00 O ATOM 1409 CB GLU A 94 15.336 3.685 -10.866 1.00 0.00 C ATOM 1410 CG GLU A 94 16.234 4.798 -11.379 1.00 0.00 C ATOM 1411 CD GLU A 94 17.270 4.303 -12.369 1.00 0.00 C ATOM 1412 OE1 GLU A 94 17.871 3.238 -12.115 1.00 0.00 O ATOM 1413 OE2 GLU A 94 17.480 4.979 -13.398 1.00 0.00 O ATOM 0 H GLU A 94 12.661 4.748 -11.195 1.00 0.00 H new ATOM 0 HA GLU A 94 14.516 3.088 -12.761 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.965 3.955 -9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.928 2.778 -10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.621 5.565 -11.853 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.739 5.270 -10.536 1.00 0.00 H new ATOM 1420 N SER A 95 13.936 1.064 -11.115 1.00 0.00 N ATOM 1421 CA SER A 95 13.260 -0.115 -10.586 1.00 0.00 C ATOM 1422 C SER A 95 12.846 0.103 -9.134 1.00 0.00 C ATOM 1423 O SER A 95 13.459 0.874 -8.395 1.00 0.00 O ATOM 1424 CB SER A 95 14.169 -1.341 -10.690 1.00 0.00 C ATOM 1425 OG SER A 95 14.570 -1.565 -12.031 1.00 0.00 O ATOM 0 H SER A 95 14.901 0.903 -11.404 1.00 0.00 H new ATOM 0 HA SER A 95 12.363 -0.286 -11.181 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.049 -1.200 -10.063 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.646 -2.219 -10.312 1.00 0.00 H new ATOM 0 HG SER A 95 15.152 -2.353 -12.071 1.00 0.00 H new ATOM 1431 N PRO A 96 11.779 -0.592 -8.713 1.00 0.00 N ATOM 1432 CA PRO A 96 11.258 -0.493 -7.346 1.00 0.00 C ATOM 1433 C PRO A 96 12.195 -1.123 -6.321 1.00 0.00 C ATOM 1434 O PRO A 96 13.110 -1.866 -6.676 1.00 0.00 O ATOM 1435 CB PRO A 96 9.939 -1.268 -7.412 1.00 0.00 C ATOM 1436 CG PRO A 96 10.119 -2.226 -8.538 1.00 0.00 C ATOM 1437 CD PRO A 96 10.999 -1.530 -9.539 1.00 0.00 C ATOM 0 HA PRO A 96 11.144 0.543 -7.028 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.739 -1.790 -6.476 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.096 -0.600 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.578 -3.152 -8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.159 -2.492 -8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.644 -2.234 -10.065 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.413 -1.008 -10.295 1.00 0.00 H new ATOM 1445 N VAL A 97 11.961 -0.821 -5.048 1.00 0.00 N ATOM 1446 CA VAL A 97 12.784 -1.358 -3.971 1.00 0.00 C ATOM 1447 C VAL A 97 11.952 -2.204 -3.014 1.00 0.00 C ATOM 1448 O VAL A 97 10.721 -2.171 -3.049 1.00 0.00 O ATOM 1449 CB VAL A 97 13.475 -0.234 -3.178 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.584 0.399 -4.004 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.460 0.812 -2.743 1.00 0.00 C ATOM 0 H VAL A 97 11.208 -0.207 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 97 13.546 -1.984 -4.436 1.00 0.00 H new ATOM 0 HB VAL A 97 13.923 -0.667 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.061 1.191 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.324 -0.359 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.163 0.819 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.966 1.599 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.981 1.242 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.705 0.345 -2.111 1.00 0.00 H new ATOM 1461 N ASP A 98 12.631 -2.961 -2.159 1.00 0.00 N ATOM 1462 CA ASP A 98 11.954 -3.815 -1.189 1.00 0.00 C ATOM 1463 C ASP A 98 11.968 -3.179 0.197 1.00 0.00 C ATOM 1464 O ASP A 98 13.028 -2.986 0.793 1.00 0.00 O ATOM 1465 CB ASP A 98 12.619 -5.191 -1.139 1.00 0.00 C ATOM 1466 CG ASP A 98 13.936 -5.172 -0.390 1.00 0.00 C ATOM 1467 OD1 ASP A 98 14.913 -4.605 -0.923 1.00 0.00 O ATOM 1468 OD2 ASP A 98 13.991 -5.723 0.730 1.00 0.00 O ATOM 0 H ASP A 98 13.649 -3.001 -2.118 1.00 0.00 H new ATOM 0 HA ASP A 98 10.917 -3.932 -1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.943 -5.900 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.788 -5.547 -2.155 1.00 0.00 H new ATOM 1473 N TYR A 99 10.784 -2.855 0.705 1.00 0.00 N ATOM 1474 CA TYR A 99 10.660 -2.237 2.020 1.00 0.00 C ATOM 1475 C TYR A 99 11.431 -3.031 3.070 1.00 0.00 C ATOM 1476 O TYR A 99 11.896 -4.141 2.808 1.00 0.00 O ATOM 1477 CB TYR A 99 9.187 -2.136 2.422 1.00 0.00 C ATOM 1478 CG TYR A 99 8.970 -1.471 3.763 1.00 0.00 C ATOM 1479 CD1 TYR A 99 9.388 -0.165 3.989 1.00 0.00 C ATOM 1480 CD2 TYR A 99 8.348 -2.149 4.804 1.00 0.00 C ATOM 1481 CE1 TYR A 99 9.192 0.446 5.212 1.00 0.00 C ATOM 1482 CE2 TYR A 99 8.146 -1.545 6.030 1.00 0.00 C ATOM 1483 CZ TYR A 99 8.571 -0.248 6.229 1.00 0.00 C ATOM 1484 OH TYR A 99 8.373 0.356 7.450 1.00 0.00 O ATOM 0 H TYR A 99 9.897 -3.010 0.226 1.00 0.00 H new ATOM 0 HA TYR A 99 11.085 -1.235 1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.648 -1.577 1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.757 -3.137 2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.874 0.382 3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.017 -3.166 4.652 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.523 1.462 5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.658 -2.085 6.828 1.00 0.00 H new ATOM 0 HH TYR A 99 7.921 -0.269 8.055 1.00 0.00 H new ATOM 1544 N THR A 104 4.581 -1.727 10.536 1.00 0.00 N ATOM 1545 CA THR A 104 3.978 -0.849 11.531 1.00 0.00 C ATOM 1546 C THR A 104 3.928 0.592 11.034 1.00 0.00 C ATOM 1547 O THR A 104 4.941 1.148 10.611 1.00 0.00 O ATOM 1548 CB THR A 104 4.751 -0.894 12.862 1.00 0.00 C ATOM 1549 OG1 THR A 104 6.154 -0.749 12.620 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.490 -2.202 13.595 1.00 0.00 C ATOM 0 HA THR A 104 2.963 -1.209 11.697 1.00 0.00 H new ATOM 0 HB THR A 104 4.404 -0.070 13.486 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.369 -1.093 11.728 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.046 -2.211 14.532 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.424 -2.295 13.805 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.812 -3.038 12.974 1.00 0.00 H new ATOM 1558 N ARG A 105 2.743 1.191 11.091 1.00 0.00 N ATOM 1559 CA ARG A 105 2.561 2.567 10.646 1.00 0.00 C ATOM 1560 C ARG A 105 3.768 3.423 11.020 1.00 0.00 C ATOM 1561 O ARG A 105 4.171 4.308 10.265 1.00 0.00 O ATOM 1562 CB ARG A 105 1.292 3.161 11.260 1.00 0.00 C ATOM 1563 CG ARG A 105 1.519 3.818 12.612 1.00 0.00 C ATOM 1564 CD ARG A 105 0.205 4.083 13.330 1.00 0.00 C ATOM 1565 NE ARG A 105 0.414 4.575 14.689 1.00 0.00 N ATOM 1566 CZ ARG A 105 -0.568 4.746 15.568 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -1.819 4.464 15.232 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.298 5.198 16.786 1.00 0.00 N ATOM 0 H ARG A 105 1.895 0.745 11.441 1.00 0.00 H new ATOM 0 HA ARG A 105 2.463 2.561 9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.877 3.898 10.573 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.548 2.372 11.369 1.00 0.00 H new ATOM 0 HG2 ARG A 105 2.149 3.176 13.228 1.00 0.00 H new ATOM 0 HG3 ARG A 105 2.056 4.757 12.476 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.376 4.813 12.766 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.382 3.165 13.363 1.00 0.00 H new ATOM 0 HE ARG A 105 1.366 4.800 14.979 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.030 4.115 14.297 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.571 4.596 15.908 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.664 5.414 17.048 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.052 5.329 17.460 1.00 0.00 H new ATOM 1582 N SER A 106 4.339 3.153 12.189 1.00 0.00 N ATOM 1583 CA SER A 106 5.496 3.901 12.665 1.00 0.00 C ATOM 1584 C SER A 106 6.662 3.779 11.688 1.00 0.00 C ATOM 1585 O SER A 106 7.209 4.781 11.229 1.00 0.00 O ATOM 1586 CB SER A 106 5.920 3.401 14.048 1.00 0.00 C ATOM 1587 OG SER A 106 4.861 3.522 14.981 1.00 0.00 O ATOM 0 H SER A 106 4.019 2.422 12.824 1.00 0.00 H new ATOM 0 HA SER A 106 5.214 4.951 12.737 1.00 0.00 H new ATOM 0 HB2 SER A 106 6.233 2.359 13.981 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.782 3.971 14.396 1.00 0.00 H new ATOM 0 HG SER A 106 5.157 3.194 15.856 1.00 0.00 H new ATOM 1593 N ASP A 107 7.035 2.543 11.375 1.00 0.00 N ATOM 1594 CA ASP A 107 8.134 2.287 10.452 1.00 0.00 C ATOM 1595 C ASP A 107 7.712 2.568 9.013 1.00 0.00 C ATOM 1596 O ASP A 107 8.383 3.308 8.293 1.00 0.00 O ATOM 1597 CB ASP A 107 8.613 0.840 10.583 1.00 0.00 C ATOM 1598 CG ASP A 107 9.521 0.637 11.779 1.00 0.00 C ATOM 1599 OD1 ASP A 107 8.999 0.505 12.906 1.00 0.00 O ATOM 1600 OD2 ASP A 107 10.755 0.609 11.589 1.00 0.00 O ATOM 0 H ASP A 107 6.592 1.703 11.747 1.00 0.00 H new ATOM 0 HA ASP A 107 8.954 2.957 10.709 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.749 0.181 10.670 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.143 0.552 9.675 1.00 0.00 H new ATOM 1605 N ILE A 108 6.599 1.972 8.601 1.00 0.00 N ATOM 1606 CA ILE A 108 6.088 2.158 7.249 1.00 0.00 C ATOM 1607 C ILE A 108 6.059 3.635 6.871 1.00 0.00 C ATOM 1608 O ILE A 108 6.317 3.998 5.723 1.00 0.00 O ATOM 1609 CB ILE A 108 4.671 1.573 7.097 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.694 0.060 7.322 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.108 1.902 5.722 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.369 -0.501 7.789 1.00 0.00 C ATOM 0 H ILE A 108 6.033 1.356 9.184 1.00 0.00 H new ATOM 0 HA ILE A 108 6.765 1.627 6.580 1.00 0.00 H new ATOM 0 HB ILE A 108 4.024 2.023 7.850 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.981 -0.433 6.393 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.460 -0.178 8.060 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.106 1.482 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.061 2.984 5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.753 1.476 4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.459 -1.578 7.928 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.089 -0.035 8.734 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.603 -0.294 7.042 1.00 0.00 H new ATOM 1624 N VAL A 109 5.746 4.484 7.845 1.00 0.00 N ATOM 1625 CA VAL A 109 5.686 5.922 7.615 1.00 0.00 C ATOM 1626 C VAL A 109 7.082 6.536 7.608 1.00 0.00 C ATOM 1627 O VAL A 109 7.414 7.337 6.735 1.00 0.00 O ATOM 1628 CB VAL A 109 4.833 6.627 8.687 1.00 0.00 C ATOM 1629 CG1 VAL A 109 5.064 8.130 8.650 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.360 6.300 8.495 1.00 0.00 C ATOM 0 H VAL A 109 5.530 4.200 8.801 1.00 0.00 H new ATOM 0 HA VAL A 109 5.223 6.067 6.639 1.00 0.00 H new ATOM 0 HB VAL A 109 5.138 6.261 9.668 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.453 8.611 9.414 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.116 8.341 8.841 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.788 8.516 7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.772 6.806 9.261 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.038 6.636 7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.213 5.223 8.577 1.00 0.00 H new ATOM 1640 N SER A 110 7.895 6.153 8.587 1.00 0.00 N ATOM 1641 CA SER A 110 9.255 6.668 8.696 1.00 0.00 C ATOM 1642 C SER A 110 9.988 6.554 7.363 1.00 0.00 C ATOM 1643 O SER A 110 10.666 7.487 6.932 1.00 0.00 O ATOM 1644 CB SER A 110 10.025 5.911 9.780 1.00 0.00 C ATOM 1645 OG SER A 110 11.372 6.347 9.848 1.00 0.00 O ATOM 0 H SER A 110 7.636 5.488 9.316 1.00 0.00 H new ATOM 0 HA SER A 110 9.197 7.721 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.542 6.061 10.745 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.996 4.842 9.572 1.00 0.00 H new ATOM 0 HG SER A 110 11.842 5.849 10.549 1.00 0.00 H new ATOM 1651 N ARG A 111 9.846 5.403 6.714 1.00 0.00 N ATOM 1652 CA ARG A 111 10.494 5.164 5.430 1.00 0.00 C ATOM 1653 C ARG A 111 9.941 6.100 4.359 1.00 0.00 C ATOM 1654 O ARG A 111 10.696 6.781 3.665 1.00 0.00 O ATOM 1655 CB ARG A 111 10.301 3.709 4.999 1.00 0.00 C ATOM 1656 CG ARG A 111 11.055 3.344 3.732 1.00 0.00 C ATOM 1657 CD ARG A 111 12.559 3.337 3.960 1.00 0.00 C ATOM 1658 NE ARG A 111 13.056 2.005 4.293 1.00 0.00 N ATOM 1659 CZ ARG A 111 14.252 1.778 4.823 1.00 0.00 C ATOM 1660 NH1 ARG A 111 15.070 2.789 5.080 1.00 0.00 N ATOM 1661 NH2 ARG A 111 14.633 0.537 5.098 1.00 0.00 N ATOM 0 H ARG A 111 9.288 4.621 7.056 1.00 0.00 H new ATOM 0 HA ARG A 111 11.559 5.363 5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.626 3.054 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.238 3.522 4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.734 2.361 3.387 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.809 4.055 2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 111 13.063 3.698 3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.807 4.028 4.766 1.00 0.00 H new ATOM 0 HE ARG A 111 12.451 1.205 4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.781 3.745 4.871 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.988 2.611 5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.007 -0.244 4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.552 0.364 5.505 1.00 0.00 H new ATOM 1675 N ALA A 112 8.619 6.129 4.231 1.00 0.00 N ATOM 1676 CA ALA A 112 7.965 6.982 3.246 1.00 0.00 C ATOM 1677 C ALA A 112 8.516 8.403 3.299 1.00 0.00 C ATOM 1678 O ALA A 112 8.681 9.054 2.266 1.00 0.00 O ATOM 1679 CB ALA A 112 6.460 6.989 3.471 1.00 0.00 C ATOM 0 H ALA A 112 7.979 5.572 4.797 1.00 0.00 H new ATOM 0 HA ALA A 112 8.172 6.577 2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.984 7.630 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.073 5.974 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.243 7.368 4.470 1.00 0.00 H new ATOM 1685 N LEU A 113 8.798 8.878 4.506 1.00 0.00 N ATOM 1686 CA LEU A 113 9.330 10.224 4.693 1.00 0.00 C ATOM 1687 C LEU A 113 10.767 10.315 4.190 1.00 0.00 C ATOM 1688 O LEU A 113 11.136 11.271 3.506 1.00 0.00 O ATOM 1689 CB LEU A 113 9.270 10.617 6.171 1.00 0.00 C ATOM 1690 CG LEU A 113 7.906 10.475 6.847 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.060 10.453 8.360 1.00 0.00 C ATOM 1692 CD2 LEU A 113 6.979 11.604 6.420 1.00 0.00 C ATOM 0 H LEU A 113 8.668 8.352 5.370 1.00 0.00 H new ATOM 0 HA LEU A 113 8.716 10.914 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.990 10.008 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.594 11.654 6.264 1.00 0.00 H new ATOM 0 HG LEU A 113 7.463 9.530 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.079 10.351 8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.688 9.610 8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.524 11.382 8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.013 11.487 6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.417 12.561 6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.843 11.574 5.339 1.00 0.00 H new ATOM 1704 N ASP A 114 11.573 9.316 4.531 1.00 0.00 N ATOM 1705 CA ASP A 114 12.969 9.282 4.110 1.00 0.00 C ATOM 1706 C ASP A 114 13.086 9.460 2.600 1.00 0.00 C ATOM 1707 O ASP A 114 14.082 9.987 2.101 1.00 0.00 O ATOM 1708 CB ASP A 114 13.619 7.963 4.532 1.00 0.00 C ATOM 1709 CG ASP A 114 15.007 7.789 3.948 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.110 7.532 2.731 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.991 7.909 4.709 1.00 0.00 O ATOM 0 H ASP A 114 11.284 8.519 5.098 1.00 0.00 H new ATOM 0 HA ASP A 114 13.489 10.107 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.678 7.922 5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 114 12.988 7.133 4.215 1.00 0.00 H new ATOM 1716 N LEU A 115 12.064 9.018 1.876 1.00 0.00 N ATOM 1717 CA LEU A 115 12.053 9.127 0.421 1.00 0.00 C ATOM 1718 C LEU A 115 11.324 10.392 -0.024 1.00 0.00 C ATOM 1719 O LEU A 115 11.750 11.069 -0.959 1.00 0.00 O ATOM 1720 CB LEU A 115 11.386 7.897 -0.197 1.00 0.00 C ATOM 1721 CG LEU A 115 11.803 6.545 0.383 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.762 5.484 0.064 1.00 0.00 C ATOM 1723 CD2 LEU A 115 13.168 6.134 -0.150 1.00 0.00 C ATOM 0 H LEU A 115 11.232 8.581 2.272 1.00 0.00 H new ATOM 0 HA LEU A 115 13.086 9.184 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.306 8.000 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.598 7.892 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 115 11.873 6.642 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.076 4.529 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.804 5.773 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.659 5.388 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.449 5.170 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 115 13.126 6.055 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.909 6.883 0.131 1.00 0.00 H new ATOM 1735 N PHE A 116 10.225 10.705 0.655 1.00 0.00 N ATOM 1736 CA PHE A 116 9.438 11.889 0.330 1.00 0.00 C ATOM 1737 C PHE A 116 10.324 13.129 0.262 1.00 0.00 C ATOM 1738 O PHE A 116 10.280 13.884 -0.709 1.00 0.00 O ATOM 1739 CB PHE A 116 8.334 12.094 1.370 1.00 0.00 C ATOM 1740 CG PHE A 116 7.836 13.509 1.444 1.00 0.00 C ATOM 1741 CD1 PHE A 116 7.081 14.046 0.413 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.122 14.301 2.543 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.622 15.348 0.479 1.00 0.00 C ATOM 1744 CE2 PHE A 116 7.665 15.604 2.615 1.00 0.00 C ATOM 1745 CZ PHE A 116 6.913 16.127 1.581 1.00 0.00 C ATOM 0 H PHE A 116 9.860 10.156 1.433 1.00 0.00 H new ATOM 0 HA PHE A 116 8.983 11.735 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.498 11.435 1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.709 11.797 2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.849 13.441 -0.451 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.709 13.896 3.354 1.00 0.00 H new ATOM 0 HE1 PHE A 116 6.036 15.756 -0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 116 7.895 16.211 3.478 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.553 17.144 1.635 1.00 0.00 H new ATOM 1755 N SER A 117 11.128 13.333 1.301 1.00 0.00 N ATOM 1756 CA SER A 117 12.022 14.483 1.362 1.00 0.00 C ATOM 1757 C SER A 117 12.608 14.790 -0.014 1.00 0.00 C ATOM 1758 O SER A 117 12.764 15.952 -0.389 1.00 0.00 O ATOM 1759 CB SER A 117 13.150 14.227 2.363 1.00 0.00 C ATOM 1760 OG SER A 117 13.731 15.444 2.799 1.00 0.00 O ATOM 0 H SER A 117 11.178 12.716 2.112 1.00 0.00 H new ATOM 0 HA SER A 117 11.442 15.345 1.692 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.762 13.678 3.221 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.914 13.600 1.903 1.00 0.00 H new ATOM 0 HG SER A 117 14.448 15.253 3.439 1.00 0.00 H new ATOM 1766 N ASP A 118 12.930 13.739 -0.759 1.00 0.00 N ATOM 1767 CA ASP A 118 13.498 13.894 -2.094 1.00 0.00 C ATOM 1768 C ASP A 118 12.421 13.741 -3.163 1.00 0.00 C ATOM 1769 O ASP A 118 12.159 14.666 -3.931 1.00 0.00 O ATOM 1770 CB ASP A 118 14.609 12.867 -2.321 1.00 0.00 C ATOM 1771 CG ASP A 118 15.675 13.369 -3.275 1.00 0.00 C ATOM 1772 OD1 ASP A 118 16.063 14.551 -3.164 1.00 0.00 O ATOM 1773 OD2 ASP A 118 16.121 12.580 -4.133 1.00 0.00 O ATOM 0 H ASP A 118 12.808 12.771 -0.462 1.00 0.00 H new ATOM 0 HA ASP A 118 13.920 14.896 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.069 12.617 -1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.175 11.948 -2.716 1.00 0.00 H new ATOM 1778 N ASN A 119 11.801 12.566 -3.209 1.00 0.00 N ATOM 1779 CA ASN A 119 10.754 12.292 -4.186 1.00 0.00 C ATOM 1780 C ASN A 119 9.921 13.541 -4.456 1.00 0.00 C ATOM 1781 O ASN A 119 9.918 14.069 -5.568 1.00 0.00 O ATOM 1782 CB ASN A 119 9.850 11.160 -3.691 1.00 0.00 C ATOM 1783 CG ASN A 119 10.395 9.790 -4.044 1.00 0.00 C ATOM 1784 OD1 ASN A 119 10.404 9.394 -5.210 1.00 0.00 O ATOM 1785 ND2 ASN A 119 10.852 9.058 -3.035 1.00 0.00 N ATOM 0 H ASN A 119 12.006 11.789 -2.581 1.00 0.00 H new ATOM 0 HA ASN A 119 11.231 11.987 -5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.737 11.236 -2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 119 8.857 11.276 -4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.230 8.127 -3.211 1.00 0.00 H new ATOM 0 HD22 ASN A 119 10.825 9.427 -2.084 1.00 0.00 H new