USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 40 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.325) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 133:sc= 1.02 USER MOD Single : A 17 SER OG : rot -48:sc= 1.04 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 74:sc= 0.98 USER MOD Single : A 41 ASN : amide:sc= -1.14! C(o=-1.1!,f=-8.1!) USER MOD Single : A 46 CYS SG : rot 68:sc= -0.292 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0997) USER MOD Single : A 50 ASN : amide:sc= -0.632 K(o=-0.63,f=-6.5!) USER MOD Single : A 53 MET CE :methyl -140:sc= -0.253 (180deg=-0.881) USER MOD Single : A 56 SER OG : rot 65:sc= -1.04 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 120:sc= -0.0118 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 70:sc= -0.352 USER MOD Single : A 72 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.9!) USER MOD Single : A 73 ASN : amide:sc= 0.894 K(o=0.89,f=-7.8!) USER MOD Single : A 75 ASN : amide:sc= 0.506 K(o=0.51,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot -46:sc= -3.17 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc=-0.00642 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0867 K(o=-0.087,f=-2.2!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 163:sc= -0.0133 (180deg=-0.185) USER MOD Single : A 105 SER OG : rot -25:sc= 1.19 USER MOD Single : A 106 THR OG1 : rot -79:sc= 0.809 USER MOD Single : A 111 ASN : amide:sc= 1.21 K(o=1.2,f=-0.89) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -97:sc= 0.193 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.666 -1.640 -5.463 1.00 0.00 N ATOM 60 CA GLY A 7 -11.478 -2.048 -4.737 1.00 0.00 C ATOM 61 C GLY A 7 -10.774 -0.880 -4.074 1.00 0.00 C ATOM 62 O GLY A 7 -10.485 -0.919 -2.879 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.753 -2.781 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.789 -2.542 -5.422 1.00 0.00 H new ATOM 66 N GLU A 8 -10.498 0.161 -4.853 1.00 0.00 N ATOM 67 CA GLU A 8 -9.821 1.344 -4.334 1.00 0.00 C ATOM 68 C GLU A 8 -10.268 1.644 -2.906 1.00 0.00 C ATOM 69 O GLU A 8 -9.442 1.799 -2.007 1.00 0.00 O ATOM 70 CB GLU A 8 -10.099 2.553 -5.231 1.00 0.00 C ATOM 71 CG GLU A 8 -9.474 2.442 -6.611 1.00 0.00 C ATOM 72 CD GLU A 8 -10.257 3.197 -7.668 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.680 4.338 -7.390 1.00 0.00 O ATOM 74 OE2 GLU A 8 -10.446 2.646 -8.773 1.00 0.00 O ATOM 0 H GLU A 8 -10.732 0.209 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.750 1.144 -4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.177 2.675 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.723 3.452 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.454 2.826 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.410 1.391 -6.893 1.00 0.00 H new ATOM 81 N GLU A 9 -11.580 1.724 -2.707 1.00 0.00 N ATOM 82 CA GLU A 9 -12.136 2.006 -1.389 1.00 0.00 C ATOM 83 C GLU A 9 -11.775 0.903 -0.398 1.00 0.00 C ATOM 84 O GLU A 9 -11.348 1.178 0.723 1.00 0.00 O ATOM 85 CB GLU A 9 -13.657 2.152 -1.473 1.00 0.00 C ATOM 86 CG GLU A 9 -14.323 2.371 -0.125 1.00 0.00 C ATOM 87 CD GLU A 9 -14.675 1.070 0.570 1.00 0.00 C ATOM 88 OE1 GLU A 9 -15.190 0.156 -0.108 1.00 0.00 O ATOM 89 OE2 GLU A 9 -14.434 0.965 1.790 1.00 0.00 O ATOM 0 H GLU A 9 -12.277 1.598 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.707 2.943 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.897 2.989 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.075 1.257 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.658 2.952 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.229 2.961 -0.263 1.00 0.00 H new ATOM 96 N GLN A 10 -11.949 -0.345 -0.821 1.00 0.00 N ATOM 97 CA GLN A 10 -11.643 -1.489 0.029 1.00 0.00 C ATOM 98 C GLN A 10 -10.234 -1.379 0.603 1.00 0.00 C ATOM 99 O GLN A 10 -10.002 -1.699 1.770 1.00 0.00 O ATOM 100 CB GLN A 10 -11.783 -2.791 -0.762 1.00 0.00 C ATOM 101 CG GLN A 10 -13.194 -3.356 -0.756 1.00 0.00 C ATOM 102 CD GLN A 10 -13.222 -4.858 -0.966 1.00 0.00 C ATOM 103 OE1 GLN A 10 -12.806 -5.625 -0.097 1.00 0.00 O ATOM 104 NE2 GLN A 10 -13.714 -5.285 -2.123 1.00 0.00 N ATOM 0 H GLN A 10 -12.300 -0.589 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.354 -1.496 0.856 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.475 -2.615 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.101 -3.534 -0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.673 -3.117 0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.778 -2.872 -1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.048 -4.613 -2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.758 -6.285 -2.320 1.00 0.00 H new ATOM 113 N ILE A 11 -9.298 -0.924 -0.222 1.00 0.00 N ATOM 114 CA ILE A 11 -7.913 -0.771 0.204 1.00 0.00 C ATOM 115 C ILE A 11 -7.767 0.377 1.197 1.00 0.00 C ATOM 116 O ILE A 11 -7.095 0.246 2.221 1.00 0.00 O ATOM 117 CB ILE A 11 -6.979 -0.520 -0.994 1.00 0.00 C ATOM 118 CG1 ILE A 11 -6.998 -1.719 -1.944 1.00 0.00 C ATOM 119 CG2 ILE A 11 -5.563 -0.241 -0.513 1.00 0.00 C ATOM 120 CD1 ILE A 11 -6.467 -2.991 -1.322 1.00 0.00 C ATOM 0 H ILE A 11 -9.474 -0.655 -1.190 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.627 -1.705 0.687 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.336 0.355 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.020 -1.889 -2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.406 -1.482 -2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.915 -0.066 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.563 0.641 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.195 -1.098 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.510 -3.799 -2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.434 -2.839 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.074 -3.253 -0.455 1.00 0.00 H new ATOM 132 N VAL A 12 -8.402 1.504 0.889 1.00 0.00 N ATOM 133 CA VAL A 12 -8.346 2.675 1.755 1.00 0.00 C ATOM 134 C VAL A 12 -8.758 2.324 3.180 1.00 0.00 C ATOM 135 O VAL A 12 -7.998 2.530 4.128 1.00 0.00 O ATOM 136 CB VAL A 12 -9.254 3.804 1.233 1.00 0.00 C ATOM 137 CG1 VAL A 12 -9.285 4.963 2.217 1.00 0.00 C ATOM 138 CG2 VAL A 12 -8.788 4.270 -0.138 1.00 0.00 C ATOM 0 H VAL A 12 -8.961 1.630 0.045 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.312 3.021 1.753 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.268 3.416 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.932 5.751 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.669 4.616 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.276 5.354 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.441 5.068 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.766 4.641 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.823 3.435 -0.838 1.00 0.00 H new ATOM 148 N THR A 13 -9.968 1.793 3.327 1.00 0.00 N ATOM 149 CA THR A 13 -10.483 1.414 4.637 1.00 0.00 C ATOM 150 C THR A 13 -9.646 0.300 5.255 1.00 0.00 C ATOM 151 O THR A 13 -9.514 0.216 6.476 1.00 0.00 O ATOM 152 CB THR A 13 -11.950 0.951 4.551 1.00 0.00 C ATOM 153 OG1 THR A 13 -12.717 1.892 3.792 1.00 0.00 O ATOM 154 CG2 THR A 13 -12.552 0.802 5.940 1.00 0.00 C ATOM 0 H THR A 13 -10.610 1.616 2.554 1.00 0.00 H new ATOM 0 HA THR A 13 -10.426 2.301 5.268 1.00 0.00 H new ATOM 0 HB THR A 13 -11.973 -0.020 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.263 1.414 3.134 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.588 0.474 5.854 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.984 0.064 6.506 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.516 1.761 6.457 1.00 0.00 H new ATOM 162 N TRP A 14 -9.082 -0.551 4.406 1.00 0.00 N ATOM 163 CA TRP A 14 -8.256 -1.660 4.871 1.00 0.00 C ATOM 164 C TRP A 14 -6.999 -1.148 5.566 1.00 0.00 C ATOM 165 O TRP A 14 -6.729 -1.497 6.716 1.00 0.00 O ATOM 166 CB TRP A 14 -7.873 -2.563 3.697 1.00 0.00 C ATOM 167 CG TRP A 14 -6.947 -3.677 4.083 1.00 0.00 C ATOM 168 CD1 TRP A 14 -7.042 -4.478 5.185 1.00 0.00 C ATOM 169 CD2 TRP A 14 -5.784 -4.110 3.370 1.00 0.00 C ATOM 170 NE1 TRP A 14 -6.009 -5.383 5.200 1.00 0.00 N ATOM 171 CE2 TRP A 14 -5.223 -5.179 4.096 1.00 0.00 C ATOM 172 CE3 TRP A 14 -5.162 -3.701 2.187 1.00 0.00 C ATOM 173 CZ2 TRP A 14 -4.072 -5.841 3.678 1.00 0.00 C ATOM 174 CZ3 TRP A 14 -4.020 -4.359 1.773 1.00 0.00 C ATOM 175 CH2 TRP A 14 -3.484 -5.419 2.516 1.00 0.00 C ATOM 0 H TRP A 14 -9.181 -0.495 3.392 1.00 0.00 H new ATOM 0 HA TRP A 14 -8.837 -2.237 5.591 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.779 -2.987 3.263 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.401 -1.959 2.922 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.816 -4.410 5.935 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.852 -6.092 5.916 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.567 -2.885 1.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -3.658 -6.658 4.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.532 -4.051 0.860 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.590 -5.913 2.165 1.00 0.00 H new ATOM 186 N LEU A 15 -6.235 -0.320 4.863 1.00 0.00 N ATOM 187 CA LEU A 15 -5.005 0.239 5.414 1.00 0.00 C ATOM 188 C LEU A 15 -5.272 0.931 6.748 1.00 0.00 C ATOM 189 O LEU A 15 -4.639 0.620 7.757 1.00 0.00 O ATOM 190 CB LEU A 15 -4.386 1.231 4.427 1.00 0.00 C ATOM 191 CG LEU A 15 -4.067 0.682 3.036 1.00 0.00 C ATOM 192 CD1 LEU A 15 -3.720 1.815 2.083 1.00 0.00 C ATOM 193 CD2 LEU A 15 -2.928 -0.325 3.108 1.00 0.00 C ATOM 0 H LEU A 15 -6.445 -0.021 3.911 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.306 -0.580 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.067 2.075 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.465 1.620 4.862 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.952 0.172 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.496 1.406 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.565 2.499 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.850 2.353 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.715 -0.705 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.038 0.160 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.214 -1.152 3.757 1.00 0.00 H new ATOM 205 N ILE A 16 -6.213 1.869 6.744 1.00 0.00 N ATOM 206 CA ILE A 16 -6.566 2.601 7.954 1.00 0.00 C ATOM 207 C ILE A 16 -6.942 1.649 9.083 1.00 0.00 C ATOM 208 O ILE A 16 -6.274 1.601 10.117 1.00 0.00 O ATOM 209 CB ILE A 16 -7.736 3.571 7.704 1.00 0.00 C ATOM 210 CG1 ILE A 16 -7.415 4.501 6.532 1.00 0.00 C ATOM 211 CG2 ILE A 16 -8.033 4.377 8.960 1.00 0.00 C ATOM 212 CD1 ILE A 16 -8.545 5.444 6.182 1.00 0.00 C ATOM 0 H ILE A 16 -6.744 2.140 5.917 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.685 3.174 8.244 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.622 2.990 7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.527 5.085 6.775 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.171 3.899 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.862 5.058 8.768 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.300 3.700 9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.150 4.951 9.241 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.247 6.073 5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.428 4.867 5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.775 6.072 7.043 1.00 0.00 H new ATOM 224 N SER A 17 -8.014 0.891 8.879 1.00 0.00 N ATOM 225 CA SER A 17 -8.481 -0.060 9.881 1.00 0.00 C ATOM 226 C SER A 17 -7.305 -0.761 10.554 1.00 0.00 C ATOM 227 O SER A 17 -7.258 -0.883 11.779 1.00 0.00 O ATOM 228 CB SER A 17 -9.407 -1.095 9.240 1.00 0.00 C ATOM 229 OG SER A 17 -8.681 -1.986 8.411 1.00 0.00 O ATOM 0 H SER A 17 -8.576 0.917 8.028 1.00 0.00 H new ATOM 0 HA SER A 17 -9.035 0.492 10.640 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.923 -1.657 10.018 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.172 -0.588 8.652 1.00 0.00 H new ATOM 0 HG SER A 17 -8.084 -1.475 7.826 1.00 0.00 H new ATOM 235 N LEU A 18 -6.356 -1.220 9.745 1.00 0.00 N ATOM 236 CA LEU A 18 -5.178 -1.910 10.260 1.00 0.00 C ATOM 237 C LEU A 18 -4.370 -0.996 11.175 1.00 0.00 C ATOM 238 O LEU A 18 -3.930 -1.406 12.249 1.00 0.00 O ATOM 239 CB LEU A 18 -4.303 -2.398 9.105 1.00 0.00 C ATOM 240 CG LEU A 18 -4.671 -3.759 8.513 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.906 -4.004 7.222 1.00 0.00 C ATOM 242 CD2 LEU A 18 -4.397 -4.869 9.517 1.00 0.00 C ATOM 0 H LEU A 18 -6.379 -1.127 8.730 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.514 -2.769 10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.341 -1.655 8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.270 -2.442 9.451 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.737 -3.758 8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.181 -4.977 6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.153 -3.226 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.835 -3.985 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.665 -5.830 9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.339 -4.871 9.777 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.991 -4.702 10.415 1.00 0.00 H new ATOM 254 N GLY A 19 -4.178 0.247 10.743 1.00 0.00 N ATOM 255 CA GLY A 19 -3.425 1.201 11.537 1.00 0.00 C ATOM 256 C GLY A 19 -2.170 1.678 10.832 1.00 0.00 C ATOM 257 O GLY A 19 -1.130 1.871 11.462 1.00 0.00 O ATOM 0 H GLY A 19 -4.530 0.610 9.857 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.058 2.058 11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.152 0.743 12.488 1.00 0.00 H new ATOM 261 N VAL A 20 -2.267 1.868 9.519 1.00 0.00 N ATOM 262 CA VAL A 20 -1.131 2.325 8.728 1.00 0.00 C ATOM 263 C VAL A 20 -1.477 3.588 7.948 1.00 0.00 C ATOM 264 O VAL A 20 -0.591 4.330 7.521 1.00 0.00 O ATOM 265 CB VAL A 20 -0.660 1.239 7.742 1.00 0.00 C ATOM 266 CG1 VAL A 20 -0.092 0.045 8.494 1.00 0.00 C ATOM 267 CG2 VAL A 20 -1.804 0.812 6.834 1.00 0.00 C ATOM 0 H VAL A 20 -3.120 1.712 8.982 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.325 2.543 9.429 1.00 0.00 H new ATOM 0 HB VAL A 20 0.132 1.656 7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.235 -0.712 7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.757 0.366 9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.861 -0.376 9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.454 0.044 6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.618 0.412 7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.160 1.673 6.269 1.00 0.00 H new ATOM 277 N LEU A 21 -2.771 3.827 7.765 1.00 0.00 N ATOM 278 CA LEU A 21 -3.236 5.002 7.036 1.00 0.00 C ATOM 279 C LEU A 21 -4.128 5.872 7.917 1.00 0.00 C ATOM 280 O LEU A 21 -5.142 5.409 8.438 1.00 0.00 O ATOM 281 CB LEU A 21 -3.999 4.579 5.780 1.00 0.00 C ATOM 282 CG LEU A 21 -4.675 5.703 4.994 1.00 0.00 C ATOM 283 CD1 LEU A 21 -3.636 6.664 4.436 1.00 0.00 C ATOM 284 CD2 LEU A 21 -5.530 5.130 3.873 1.00 0.00 C ATOM 0 H LEU A 21 -3.517 3.223 8.111 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.363 5.586 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.306 4.064 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.761 3.856 6.069 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.324 6.256 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.136 7.457 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.066 7.100 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.961 6.124 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.004 5.944 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.902 4.552 3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.298 4.482 4.296 1.00 0.00 H new ATOM 296 N GLU A 22 -3.742 7.134 8.077 1.00 0.00 N ATOM 297 CA GLU A 22 -4.508 8.068 8.894 1.00 0.00 C ATOM 298 C GLU A 22 -5.950 8.165 8.403 1.00 0.00 C ATOM 299 O GLU A 22 -6.222 8.022 7.211 1.00 0.00 O ATOM 300 CB GLU A 22 -3.856 9.453 8.872 1.00 0.00 C ATOM 301 CG GLU A 22 -3.971 10.158 7.531 1.00 0.00 C ATOM 302 CD GLU A 22 -2.804 9.855 6.611 1.00 0.00 C ATOM 303 OE1 GLU A 22 -1.653 9.844 7.095 1.00 0.00 O ATOM 304 OE2 GLU A 22 -3.043 9.628 5.406 1.00 0.00 O ATOM 0 H GLU A 22 -2.905 7.533 7.652 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.515 7.694 9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.316 10.074 9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.802 9.353 9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.899 9.858 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.030 11.234 7.694 1.00 0.00 H new ATOM 436 N PRO A 31 -10.415 8.361 -4.336 1.00 0.00 N ATOM 437 CA PRO A 31 -9.556 7.282 -3.839 1.00 0.00 C ATOM 438 C PRO A 31 -8.484 6.883 -4.847 1.00 0.00 C ATOM 439 O PRO A 31 -7.372 6.516 -4.471 1.00 0.00 O ATOM 440 CB PRO A 31 -10.534 6.126 -3.612 1.00 0.00 C ATOM 441 CG PRO A 31 -11.664 6.398 -4.543 1.00 0.00 C ATOM 442 CD PRO A 31 -11.782 7.895 -4.626 1.00 0.00 C ATOM 0 HA PRO A 31 -9.008 7.577 -2.944 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.067 5.165 -3.826 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -10.873 6.092 -2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.472 5.967 -5.526 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.589 5.954 -4.175 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.116 8.218 -5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.500 8.282 -3.904 1.00 0.00 H new ATOM 450 N GLU A 32 -8.826 6.960 -6.129 1.00 0.00 N ATOM 451 CA GLU A 32 -7.892 6.606 -7.191 1.00 0.00 C ATOM 452 C GLU A 32 -6.592 7.393 -7.056 1.00 0.00 C ATOM 453 O GLU A 32 -5.508 6.814 -6.990 1.00 0.00 O ATOM 454 CB GLU A 32 -8.519 6.868 -8.562 1.00 0.00 C ATOM 455 CG GLU A 32 -7.609 6.514 -9.726 1.00 0.00 C ATOM 456 CD GLU A 32 -8.329 6.547 -11.060 1.00 0.00 C ATOM 457 OE1 GLU A 32 -8.540 7.656 -11.594 1.00 0.00 O ATOM 458 OE2 GLU A 32 -8.681 5.462 -11.571 1.00 0.00 O ATOM 0 H GLU A 32 -9.743 7.264 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.665 5.544 -7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.442 6.294 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.791 7.921 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.771 7.211 -9.752 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.192 5.520 -9.567 1.00 0.00 H new ATOM 465 N GLU A 33 -6.709 8.717 -7.017 1.00 0.00 N ATOM 466 CA GLU A 33 -5.543 9.583 -6.891 1.00 0.00 C ATOM 467 C GLU A 33 -5.005 9.568 -5.463 1.00 0.00 C ATOM 468 O GLU A 33 -3.805 9.409 -5.242 1.00 0.00 O ATOM 469 CB GLU A 33 -5.898 11.015 -7.299 1.00 0.00 C ATOM 470 CG GLU A 33 -5.685 11.297 -8.777 1.00 0.00 C ATOM 471 CD GLU A 33 -4.231 11.567 -9.115 1.00 0.00 C ATOM 472 OE1 GLU A 33 -3.800 12.733 -8.989 1.00 0.00 O ATOM 473 OE2 GLU A 33 -3.526 10.614 -9.506 1.00 0.00 O ATOM 0 H GLU A 33 -7.599 9.213 -7.071 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.767 9.204 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.941 11.208 -7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.296 11.710 -6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.038 10.446 -9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.288 12.156 -9.070 1.00 0.00 H new ATOM 480 N PHE A 34 -5.903 9.735 -4.497 1.00 0.00 N ATOM 481 CA PHE A 34 -5.520 9.743 -3.090 1.00 0.00 C ATOM 482 C PHE A 34 -4.589 8.575 -2.774 1.00 0.00 C ATOM 483 O PHE A 34 -3.560 8.746 -2.120 1.00 0.00 O ATOM 484 CB PHE A 34 -6.763 9.674 -2.201 1.00 0.00 C ATOM 485 CG PHE A 34 -6.452 9.724 -0.732 1.00 0.00 C ATOM 486 CD1 PHE A 34 -6.249 10.937 -0.094 1.00 0.00 C ATOM 487 CD2 PHE A 34 -6.364 8.558 0.011 1.00 0.00 C ATOM 488 CE1 PHE A 34 -5.962 10.985 1.257 1.00 0.00 C ATOM 489 CE2 PHE A 34 -6.078 8.600 1.363 1.00 0.00 C ATOM 490 CZ PHE A 34 -5.878 9.815 1.987 1.00 0.00 C ATOM 0 H PHE A 34 -6.901 9.867 -4.663 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.989 10.673 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.426 10.502 -2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.305 8.754 -2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.316 11.855 -0.659 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.521 7.605 -0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.803 11.937 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.011 7.683 1.930 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.656 9.851 3.043 1.00 0.00 H new ATOM 500 N LEU A 35 -4.959 7.388 -3.242 1.00 0.00 N ATOM 501 CA LEU A 35 -4.159 6.191 -3.010 1.00 0.00 C ATOM 502 C LEU A 35 -2.801 6.301 -3.695 1.00 0.00 C ATOM 503 O LEU A 35 -1.764 6.034 -3.089 1.00 0.00 O ATOM 504 CB LEU A 35 -4.900 4.952 -3.517 1.00 0.00 C ATOM 505 CG LEU A 35 -5.863 4.294 -2.527 1.00 0.00 C ATOM 506 CD1 LEU A 35 -6.863 3.415 -3.261 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.094 3.482 -1.495 1.00 0.00 C ATOM 0 H LEU A 35 -5.808 7.229 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.996 6.096 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.461 5.229 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.161 4.211 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.412 5.079 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.540 2.955 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.436 4.023 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.331 2.636 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.795 3.021 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.519 2.705 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.417 4.137 -0.947 1.00 0.00 H new ATOM 519 N LYS A 36 -2.815 6.699 -4.963 1.00 0.00 N ATOM 520 CA LYS A 36 -1.586 6.850 -5.732 1.00 0.00 C ATOM 521 C LYS A 36 -0.574 7.706 -4.978 1.00 0.00 C ATOM 522 O LYS A 36 0.621 7.409 -4.968 1.00 0.00 O ATOM 523 CB LYS A 36 -1.886 7.477 -7.095 1.00 0.00 C ATOM 524 CG LYS A 36 -2.600 6.539 -8.052 1.00 0.00 C ATOM 525 CD LYS A 36 -3.373 7.306 -9.112 1.00 0.00 C ATOM 526 CE LYS A 36 -3.466 6.521 -10.411 1.00 0.00 C ATOM 527 NZ LYS A 36 -4.148 7.299 -11.482 1.00 0.00 N ATOM 0 H LYS A 36 -3.665 6.923 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.157 5.859 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.497 8.368 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.950 7.803 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.872 5.885 -8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.283 5.899 -7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.376 7.525 -8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.886 8.263 -9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.464 6.248 -10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.008 5.592 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.191 6.729 -12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.113 7.538 -11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.617 8.174 -11.668 1.00 0.00 H new ATOM 541 N SER A 37 -1.060 8.770 -4.345 1.00 0.00 N ATOM 542 CA SER A 37 -0.197 9.671 -3.590 1.00 0.00 C ATOM 543 C SER A 37 0.218 9.041 -2.265 1.00 0.00 C ATOM 544 O SER A 37 1.346 9.223 -1.805 1.00 0.00 O ATOM 545 CB SER A 37 -0.911 11.000 -3.335 1.00 0.00 C ATOM 546 OG SER A 37 -0.838 11.844 -4.470 1.00 0.00 O ATOM 0 H SER A 37 -2.047 9.029 -4.340 1.00 0.00 H new ATOM 0 HA SER A 37 0.700 9.856 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.955 10.813 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.461 11.499 -2.477 1.00 0.00 H new ATOM 0 HG SER A 37 -1.303 12.686 -4.282 1.00 0.00 H new ATOM 552 N SER A 38 -0.701 8.299 -1.655 1.00 0.00 N ATOM 553 CA SER A 38 -0.432 7.644 -0.380 1.00 0.00 C ATOM 554 C SER A 38 0.623 6.554 -0.541 1.00 0.00 C ATOM 555 O SER A 38 1.474 6.365 0.329 1.00 0.00 O ATOM 556 CB SER A 38 -1.719 7.045 0.190 1.00 0.00 C ATOM 557 OG SER A 38 -2.674 8.055 0.465 1.00 0.00 O ATOM 0 H SER A 38 -1.638 8.136 -2.023 1.00 0.00 H new ATOM 0 HA SER A 38 -0.051 8.394 0.313 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.136 6.330 -0.519 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.494 6.495 1.103 1.00 0.00 H new ATOM 0 HG SER A 38 -3.057 8.381 -0.376 1.00 0.00 H new ATOM 563 N LEU A 39 0.560 5.839 -1.659 1.00 0.00 N ATOM 564 CA LEU A 39 1.510 4.767 -1.935 1.00 0.00 C ATOM 565 C LEU A 39 2.725 5.297 -2.690 1.00 0.00 C ATOM 566 O LEU A 39 3.814 4.729 -2.611 1.00 0.00 O ATOM 567 CB LEU A 39 0.835 3.659 -2.746 1.00 0.00 C ATOM 568 CG LEU A 39 -0.549 3.222 -2.264 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.261 2.420 -3.343 1.00 0.00 C ATOM 570 CD2 LEU A 39 -0.436 2.412 -0.981 1.00 0.00 C ATOM 0 H LEU A 39 -0.138 5.982 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 39 1.847 4.359 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.749 3.994 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.489 2.787 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.139 4.115 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.244 2.117 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.375 3.034 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.674 1.534 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.430 2.110 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.171 1.525 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.032 3.020 -0.207 1.00 0.00 H new ATOM 582 N LYS A 40 2.531 6.390 -3.419 1.00 0.00 N ATOM 583 CA LYS A 40 3.612 7.000 -4.185 1.00 0.00 C ATOM 584 C LYS A 40 4.945 6.849 -3.461 1.00 0.00 C ATOM 585 O LYS A 40 5.813 6.090 -3.890 1.00 0.00 O ATOM 586 CB LYS A 40 3.317 8.482 -4.431 1.00 0.00 C ATOM 587 CG LYS A 40 4.526 9.273 -4.897 1.00 0.00 C ATOM 588 CD LYS A 40 4.279 10.770 -4.815 1.00 0.00 C ATOM 589 CE LYS A 40 3.646 11.301 -6.092 1.00 0.00 C ATOM 590 NZ LYS A 40 2.158 11.259 -6.033 1.00 0.00 N ATOM 0 H LYS A 40 1.635 6.872 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 40 3.680 6.485 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.527 8.568 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.936 8.926 -3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.390 9.012 -4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.767 8.999 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.628 10.987 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.222 11.286 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.974 12.327 -6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.993 10.712 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.764 11.952 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.827 10.306 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.842 11.489 -5.069 1.00 0.00 H new ATOM 604 N ASN A 41 5.101 7.576 -2.359 1.00 0.00 N ATOM 605 CA ASN A 41 6.329 7.522 -1.574 1.00 0.00 C ATOM 606 C ASN A 41 6.684 6.081 -1.219 1.00 0.00 C ATOM 607 O ASN A 41 7.792 5.619 -1.489 1.00 0.00 O ATOM 608 CB ASN A 41 6.180 8.352 -0.298 1.00 0.00 C ATOM 609 CG ASN A 41 4.748 8.395 0.200 1.00 0.00 C ATOM 610 OD1 ASN A 41 3.939 7.527 -0.128 1.00 0.00 O ATOM 611 ND2 ASN A 41 4.429 9.409 0.997 1.00 0.00 N ATOM 0 H ASN A 41 4.392 8.210 -1.990 1.00 0.00 H new ATOM 0 HA ASN A 41 7.136 7.938 -2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.820 7.935 0.480 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.527 9.368 -0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.481 9.491 1.363 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.132 10.106 1.242 1.00 0.00 H new ATOM 618 N GLY A 42 5.735 5.376 -0.612 1.00 0.00 N ATOM 619 CA GLY A 42 5.966 3.995 -0.230 1.00 0.00 C ATOM 620 C GLY A 42 5.954 3.799 1.274 1.00 0.00 C ATOM 621 O GLY A 42 5.940 2.669 1.760 1.00 0.00 O ATOM 0 H GLY A 42 4.810 5.736 -0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.201 3.364 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.926 3.667 -0.628 1.00 0.00 H new ATOM 625 N VAL A 43 5.961 4.904 2.013 1.00 0.00 N ATOM 626 CA VAL A 43 5.951 4.850 3.469 1.00 0.00 C ATOM 627 C VAL A 43 4.695 4.156 3.985 1.00 0.00 C ATOM 628 O VAL A 43 4.715 3.511 5.033 1.00 0.00 O ATOM 629 CB VAL A 43 6.036 6.259 4.085 1.00 0.00 C ATOM 630 CG1 VAL A 43 4.882 7.123 3.600 1.00 0.00 C ATOM 631 CG2 VAL A 43 6.050 6.177 5.604 1.00 0.00 C ATOM 0 H VAL A 43 5.974 5.848 1.626 1.00 0.00 H new ATOM 0 HA VAL A 43 6.829 4.278 3.770 1.00 0.00 H new ATOM 0 HB VAL A 43 6.968 6.723 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.958 8.115 4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.923 7.209 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.937 6.665 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.110 7.182 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.136 5.694 5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.913 5.596 5.929 1.00 0.00 H new ATOM 641 N VAL A 44 3.603 4.293 3.241 1.00 0.00 N ATOM 642 CA VAL A 44 2.336 3.679 3.621 1.00 0.00 C ATOM 643 C VAL A 44 2.410 2.159 3.517 1.00 0.00 C ATOM 644 O VAL A 44 1.983 1.443 4.424 1.00 0.00 O ATOM 645 CB VAL A 44 1.179 4.187 2.741 1.00 0.00 C ATOM 646 CG1 VAL A 44 -0.027 3.269 2.863 1.00 0.00 C ATOM 647 CG2 VAL A 44 0.812 5.615 3.116 1.00 0.00 C ATOM 0 H VAL A 44 3.570 4.824 2.371 1.00 0.00 H new ATOM 0 HA VAL A 44 2.145 3.961 4.656 1.00 0.00 H new ATOM 0 HB VAL A 44 1.507 4.181 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.835 3.644 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.247 2.264 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.359 3.240 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.007 5.958 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.503 5.649 4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.677 6.263 2.972 1.00 0.00 H new ATOM 657 N LEU A 45 2.954 1.674 2.407 1.00 0.00 N ATOM 658 CA LEU A 45 3.084 0.238 2.184 1.00 0.00 C ATOM 659 C LEU A 45 4.061 -0.381 3.179 1.00 0.00 C ATOM 660 O LEU A 45 3.862 -1.505 3.641 1.00 0.00 O ATOM 661 CB LEU A 45 3.553 -0.035 0.754 1.00 0.00 C ATOM 662 CG LEU A 45 2.642 0.479 -0.361 1.00 0.00 C ATOM 663 CD1 LEU A 45 3.448 0.769 -1.618 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.537 -0.525 -0.654 1.00 0.00 C ATOM 0 H LEU A 45 3.312 2.253 1.648 1.00 0.00 H new ATOM 0 HA LEU A 45 2.105 -0.218 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.539 0.411 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.672 -1.112 0.631 1.00 0.00 H new ATOM 0 HG LEU A 45 2.181 1.408 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.783 1.134 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.202 1.526 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.938 -0.145 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.899 -0.142 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.979 -1.471 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.941 -0.682 0.245 1.00 0.00 H new ATOM 676 N CYS A 46 5.114 0.360 3.505 1.00 0.00 N ATOM 677 CA CYS A 46 6.122 -0.116 4.446 1.00 0.00 C ATOM 678 C CYS A 46 5.499 -0.409 5.807 1.00 0.00 C ATOM 679 O CYS A 46 5.810 -1.418 6.440 1.00 0.00 O ATOM 680 CB CYS A 46 7.239 0.918 4.595 1.00 0.00 C ATOM 681 SG CYS A 46 8.579 0.735 3.395 1.00 0.00 S ATOM 0 H CYS A 46 5.292 1.292 3.132 1.00 0.00 H new ATOM 0 HA CYS A 46 6.543 -1.041 4.052 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.811 1.916 4.497 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.654 0.847 5.600 1.00 0.00 H new ATOM 0 HG CYS A 46 8.136 1.012 2.205 1.00 0.00 H new ATOM 687 N LYS A 47 4.618 0.480 6.253 1.00 0.00 N ATOM 688 CA LYS A 47 3.951 0.319 7.539 1.00 0.00 C ATOM 689 C LYS A 47 2.986 -0.863 7.507 1.00 0.00 C ATOM 690 O LYS A 47 2.771 -1.529 8.520 1.00 0.00 O ATOM 691 CB LYS A 47 3.196 1.597 7.909 1.00 0.00 C ATOM 692 CG LYS A 47 4.103 2.792 8.147 1.00 0.00 C ATOM 693 CD LYS A 47 3.309 4.084 8.249 1.00 0.00 C ATOM 694 CE LYS A 47 4.175 5.234 8.739 1.00 0.00 C ATOM 695 NZ LYS A 47 3.698 6.547 8.224 1.00 0.00 N ATOM 0 H LYS A 47 4.349 1.321 5.742 1.00 0.00 H new ATOM 0 HA LYS A 47 4.713 0.123 8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.494 1.838 7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.607 1.414 8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.672 2.641 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.824 2.870 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.890 4.333 7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.470 3.944 8.930 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.175 5.250 9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.206 5.073 8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.411 7.277 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.544 6.482 7.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.805 6.800 8.693 1.00 0.00 H new ATOM 709 N LEU A 48 2.409 -1.117 6.338 1.00 0.00 N ATOM 710 CA LEU A 48 1.468 -2.220 6.173 1.00 0.00 C ATOM 711 C LEU A 48 2.165 -3.563 6.366 1.00 0.00 C ATOM 712 O LEU A 48 1.954 -4.244 7.370 1.00 0.00 O ATOM 713 CB LEU A 48 0.821 -2.162 4.788 1.00 0.00 C ATOM 714 CG LEU A 48 0.014 -3.392 4.372 1.00 0.00 C ATOM 715 CD1 LEU A 48 -1.287 -3.467 5.157 1.00 0.00 C ATOM 716 CD2 LEU A 48 -0.265 -3.367 2.877 1.00 0.00 C ATOM 0 H LEU A 48 2.576 -0.575 5.490 1.00 0.00 H new ATOM 0 HA LEU A 48 0.693 -2.121 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.165 -1.292 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.606 -2.000 4.049 1.00 0.00 H new ATOM 0 HG LEU A 48 0.603 -4.281 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.848 -4.349 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.066 -3.533 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.880 -2.573 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.840 -4.250 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.833 -2.471 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.678 -3.362 2.331 1.00 0.00 H new ATOM 728 N ILE A 49 2.996 -3.937 5.399 1.00 0.00 N ATOM 729 CA ILE A 49 3.726 -5.197 5.465 1.00 0.00 C ATOM 730 C ILE A 49 4.258 -5.452 6.871 1.00 0.00 C ATOM 731 O ILE A 49 4.261 -6.586 7.348 1.00 0.00 O ATOM 732 CB ILE A 49 4.903 -5.218 4.471 1.00 0.00 C ATOM 733 CG1 ILE A 49 5.565 -6.597 4.461 1.00 0.00 C ATOM 734 CG2 ILE A 49 5.916 -4.140 4.827 1.00 0.00 C ATOM 735 CD1 ILE A 49 4.850 -7.605 3.589 1.00 0.00 C ATOM 0 H ILE A 49 3.180 -3.386 4.561 1.00 0.00 H new ATOM 0 HA ILE A 49 3.021 -5.984 5.198 1.00 0.00 H new ATOM 0 HB ILE A 49 4.520 -5.013 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.594 -6.495 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.608 -6.978 5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.742 -4.167 4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.436 -3.162 4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.297 -4.317 5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.375 -8.559 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.829 -7.737 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.830 -7.246 2.560 1.00 0.00 H new ATOM 747 N ASN A 50 4.705 -4.388 7.530 1.00 0.00 N ATOM 748 CA ASN A 50 5.239 -4.496 8.883 1.00 0.00 C ATOM 749 C ASN A 50 4.191 -5.061 9.837 1.00 0.00 C ATOM 750 O ASN A 50 4.475 -5.966 10.622 1.00 0.00 O ATOM 751 CB ASN A 50 5.711 -3.128 9.378 1.00 0.00 C ATOM 752 CG ASN A 50 7.139 -2.825 8.967 1.00 0.00 C ATOM 753 OD1 ASN A 50 7.998 -3.707 8.972 1.00 0.00 O ATOM 754 ND2 ASN A 50 7.399 -1.573 8.609 1.00 0.00 N ATOM 0 H ASN A 50 4.708 -3.442 7.149 1.00 0.00 H new ATOM 0 HA ASN A 50 6.088 -5.179 8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.051 -2.355 8.985 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.633 -3.091 10.465 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.342 -1.310 8.323 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.656 -0.875 8.620 1.00 0.00 H new ATOM 761 N ARG A 51 2.979 -4.521 9.763 1.00 0.00 N ATOM 762 CA ARG A 51 1.888 -4.971 10.620 1.00 0.00 C ATOM 763 C ARG A 51 1.502 -6.411 10.298 1.00 0.00 C ATOM 764 O ARG A 51 1.166 -7.190 11.191 1.00 0.00 O ATOM 765 CB ARG A 51 0.673 -4.057 10.457 1.00 0.00 C ATOM 766 CG ARG A 51 -0.503 -4.443 11.339 1.00 0.00 C ATOM 767 CD ARG A 51 -0.426 -3.764 12.698 1.00 0.00 C ATOM 768 NE ARG A 51 0.312 -4.566 13.670 1.00 0.00 N ATOM 769 CZ ARG A 51 0.869 -4.063 14.765 1.00 0.00 C ATOM 770 NH1 ARG A 51 0.772 -2.767 15.028 1.00 0.00 N ATOM 771 NH2 ARG A 51 1.526 -4.857 15.602 1.00 0.00 N ATOM 0 H ARG A 51 2.727 -3.771 9.119 1.00 0.00 H new ATOM 0 HA ARG A 51 2.230 -4.928 11.654 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.967 -3.032 10.686 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.355 -4.072 9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.435 -4.168 10.846 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.520 -5.525 11.472 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.055 -2.792 12.591 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.434 -3.582 13.070 1.00 0.00 H new ATOM 0 HE ARG A 51 0.405 -5.567 13.498 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.268 -2.153 14.388 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.201 -2.384 15.870 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.603 -5.855 15.404 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.954 -4.469 16.443 1.00 0.00 H new ATOM 785 N LEU A 52 1.550 -6.759 9.017 1.00 0.00 N ATOM 786 CA LEU A 52 1.205 -8.106 8.575 1.00 0.00 C ATOM 787 C LEU A 52 2.215 -9.124 9.094 1.00 0.00 C ATOM 788 O LEU A 52 1.842 -10.136 9.687 1.00 0.00 O ATOM 789 CB LEU A 52 1.144 -8.163 7.048 1.00 0.00 C ATOM 790 CG LEU A 52 0.232 -7.137 6.374 1.00 0.00 C ATOM 791 CD1 LEU A 52 0.302 -7.274 4.861 1.00 0.00 C ATOM 792 CD2 LEU A 52 -1.201 -7.296 6.860 1.00 0.00 C ATOM 0 H LEU A 52 1.825 -6.127 8.265 1.00 0.00 H new ATOM 0 HA LEU A 52 0.224 -8.355 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.154 -8.033 6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.815 -9.160 6.754 1.00 0.00 H new ATOM 0 HG LEU A 52 0.577 -6.139 6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.353 -6.536 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.327 -7.109 4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.017 -8.275 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.836 -6.558 6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.558 -8.298 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.238 -7.147 7.939 1.00 0.00 H new ATOM 804 N MET A 53 3.495 -8.848 8.868 1.00 0.00 N ATOM 805 CA MET A 53 4.560 -9.739 9.316 1.00 0.00 C ATOM 806 C MET A 53 5.517 -9.013 10.256 1.00 0.00 C ATOM 807 O MET A 53 5.854 -7.846 10.057 1.00 0.00 O ATOM 808 CB MET A 53 5.328 -10.294 8.115 1.00 0.00 C ATOM 809 CG MET A 53 4.508 -11.240 7.253 1.00 0.00 C ATOM 810 SD MET A 53 5.520 -12.168 6.084 1.00 0.00 S ATOM 811 CE MET A 53 5.353 -13.828 6.735 1.00 0.00 C ATOM 0 H MET A 53 3.820 -8.015 8.378 1.00 0.00 H new ATOM 0 HA MET A 53 4.103 -10.566 9.860 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.674 -9.463 7.500 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.215 -10.817 8.472 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.970 -11.937 7.896 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.758 -10.669 6.705 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.313 -14.341 6.675 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.032 -13.780 7.775 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.612 -14.375 6.151 1.00 0.00 H new ATOM 821 N PRO A 54 5.965 -9.718 11.305 1.00 0.00 N ATOM 822 CA PRO A 54 6.890 -9.160 12.296 1.00 0.00 C ATOM 823 C PRO A 54 8.286 -8.936 11.725 1.00 0.00 C ATOM 824 O PRO A 54 9.017 -9.888 11.456 1.00 0.00 O ATOM 825 CB PRO A 54 6.925 -10.230 13.390 1.00 0.00 C ATOM 826 CG PRO A 54 6.569 -11.497 12.693 1.00 0.00 C ATOM 827 CD PRO A 54 5.605 -11.114 11.605 1.00 0.00 C ATOM 0 HA PRO A 54 6.567 -8.180 12.649 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.912 -10.295 13.849 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.217 -10.004 14.187 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.456 -11.976 12.278 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.116 -12.208 13.383 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.713 -11.754 10.729 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.570 -11.200 11.937 1.00 0.00 H new ATOM 835 N GLY A 55 8.650 -7.671 11.543 1.00 0.00 N ATOM 836 CA GLY A 55 9.958 -7.345 11.005 1.00 0.00 C ATOM 837 C GLY A 55 10.008 -7.458 9.494 1.00 0.00 C ATOM 838 O GLY A 55 10.836 -8.186 8.946 1.00 0.00 O ATOM 0 H GLY A 55 8.063 -6.865 11.758 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.226 -6.330 11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.703 -8.011 11.441 1.00 0.00 H new ATOM 842 N SER A 56 9.119 -6.737 8.818 1.00 0.00 N ATOM 843 CA SER A 56 9.061 -6.764 7.362 1.00 0.00 C ATOM 844 C SER A 56 10.068 -5.788 6.760 1.00 0.00 C ATOM 845 O SER A 56 10.788 -6.122 5.819 1.00 0.00 O ATOM 846 CB SER A 56 7.651 -6.421 6.879 1.00 0.00 C ATOM 847 OG SER A 56 6.696 -7.323 7.413 1.00 0.00 O ATOM 0 H SER A 56 8.429 -6.127 9.256 1.00 0.00 H new ATOM 0 HA SER A 56 9.315 -7.771 7.032 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.399 -5.403 7.175 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.618 -6.454 5.790 1.00 0.00 H new ATOM 0 HG SER A 56 6.657 -7.220 8.387 1.00 0.00 H new ATOM 853 N VAL A 57 10.112 -4.579 7.311 1.00 0.00 N ATOM 854 CA VAL A 57 11.031 -3.554 6.830 1.00 0.00 C ATOM 855 C VAL A 57 11.994 -3.120 7.930 1.00 0.00 C ATOM 856 O VAL A 57 11.590 -2.905 9.072 1.00 0.00 O ATOM 857 CB VAL A 57 10.271 -2.318 6.312 1.00 0.00 C ATOM 858 CG1 VAL A 57 11.237 -1.179 6.026 1.00 0.00 C ATOM 859 CG2 VAL A 57 9.466 -2.671 5.070 1.00 0.00 C ATOM 0 H VAL A 57 9.523 -4.286 8.090 1.00 0.00 H new ATOM 0 HA VAL A 57 11.596 -3.995 6.009 1.00 0.00 H new ATOM 0 HB VAL A 57 9.577 -1.988 7.085 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.682 -0.315 5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.765 -0.911 6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.957 -1.494 5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.935 -1.787 4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.139 -3.026 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.747 -3.453 5.313 1.00 0.00 H new ATOM 869 N GLU A 58 13.269 -2.994 7.576 1.00 0.00 N ATOM 870 CA GLU A 58 14.290 -2.586 8.534 1.00 0.00 C ATOM 871 C GLU A 58 14.070 -1.144 8.983 1.00 0.00 C ATOM 872 O GLU A 58 13.814 -0.879 10.157 1.00 0.00 O ATOM 873 CB GLU A 58 15.684 -2.734 7.921 1.00 0.00 C ATOM 874 CG GLU A 58 16.052 -4.169 7.584 1.00 0.00 C ATOM 875 CD GLU A 58 15.364 -4.669 6.329 1.00 0.00 C ATOM 876 OE1 GLU A 58 15.382 -3.943 5.313 1.00 0.00 O ATOM 877 OE2 GLU A 58 14.807 -5.786 6.363 1.00 0.00 O ATOM 0 H GLU A 58 13.619 -3.168 6.634 1.00 0.00 H new ATOM 0 HA GLU A 58 14.214 -3.235 9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.739 -2.131 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.422 -2.332 8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.132 -4.242 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.786 -4.814 8.421 1.00 0.00 H new ATOM 884 N LYS A 59 14.173 -0.215 8.038 1.00 0.00 N ATOM 885 CA LYS A 59 13.985 1.201 8.334 1.00 0.00 C ATOM 886 C LYS A 59 13.629 1.978 7.070 1.00 0.00 C ATOM 887 O LYS A 59 14.413 2.033 6.122 1.00 0.00 O ATOM 888 CB LYS A 59 15.251 1.784 8.964 1.00 0.00 C ATOM 889 CG LYS A 59 15.511 1.289 10.377 1.00 0.00 C ATOM 890 CD LYS A 59 16.696 2.001 11.008 1.00 0.00 C ATOM 891 CE LYS A 59 18.015 1.377 10.577 1.00 0.00 C ATOM 892 NZ LYS A 59 19.145 1.822 11.438 1.00 0.00 N ATOM 0 H LYS A 59 14.386 -0.417 7.061 1.00 0.00 H new ATOM 0 HA LYS A 59 13.160 1.293 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.107 1.534 8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.173 2.871 8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.623 1.447 10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.698 0.215 10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.681 3.054 10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.610 1.960 12.094 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.933 0.291 10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.221 1.643 9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 20.026 1.375 11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.239 2.856 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.960 1.546 12.423 1.00 0.00 H new ATOM 906 N PHE A 60 12.444 2.578 7.064 1.00 0.00 N ATOM 907 CA PHE A 60 11.985 3.353 5.917 1.00 0.00 C ATOM 908 C PHE A 60 11.876 4.833 6.269 1.00 0.00 C ATOM 909 O PHE A 60 12.200 5.243 7.384 1.00 0.00 O ATOM 910 CB PHE A 60 10.631 2.831 5.431 1.00 0.00 C ATOM 911 CG PHE A 60 9.564 2.860 6.488 1.00 0.00 C ATOM 912 CD1 PHE A 60 9.407 1.797 7.362 1.00 0.00 C ATOM 913 CD2 PHE A 60 8.717 3.951 6.607 1.00 0.00 C ATOM 914 CE1 PHE A 60 8.425 1.820 8.335 1.00 0.00 C ATOM 915 CE2 PHE A 60 7.734 3.980 7.578 1.00 0.00 C ATOM 916 CZ PHE A 60 7.589 2.914 8.443 1.00 0.00 C ATOM 0 H PHE A 60 11.784 2.543 7.841 1.00 0.00 H new ATOM 0 HA PHE A 60 12.718 3.241 5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.304 3.428 4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.751 1.808 5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.059 0.940 7.282 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.827 4.788 5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.312 0.984 9.009 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.080 4.836 7.660 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.822 2.935 9.204 1.00 0.00 H new ATOM 926 N CYS A 61 11.420 5.631 5.310 1.00 0.00 N ATOM 927 CA CYS A 61 11.269 7.067 5.516 1.00 0.00 C ATOM 928 C CYS A 61 9.808 7.432 5.755 1.00 0.00 C ATOM 929 O CYS A 61 8.972 7.309 4.858 1.00 0.00 O ATOM 930 CB CYS A 61 11.809 7.837 4.310 1.00 0.00 C ATOM 931 SG CYS A 61 12.474 9.469 4.713 1.00 0.00 S ATOM 0 H CYS A 61 11.148 5.308 4.382 1.00 0.00 H new ATOM 0 HA CYS A 61 11.843 7.344 6.400 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.591 7.245 3.835 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.009 7.953 3.579 1.00 0.00 H new ATOM 0 HG CYS A 61 13.729 9.522 4.377 1.00 0.00 H new ATOM 937 N LEU A 62 9.505 7.879 6.969 1.00 0.00 N ATOM 938 CA LEU A 62 8.143 8.260 7.326 1.00 0.00 C ATOM 939 C LEU A 62 7.693 9.482 6.531 1.00 0.00 C ATOM 940 O LEU A 62 6.580 9.518 6.007 1.00 0.00 O ATOM 941 CB LEU A 62 8.051 8.550 8.825 1.00 0.00 C ATOM 942 CG LEU A 62 8.159 7.339 9.752 1.00 0.00 C ATOM 943 CD1 LEU A 62 8.306 7.784 11.198 1.00 0.00 C ATOM 944 CD2 LEU A 62 6.946 6.435 9.591 1.00 0.00 C ATOM 0 H LEU A 62 10.184 7.986 7.722 1.00 0.00 H new ATOM 0 HA LEU A 62 7.483 7.428 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.840 9.254 9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.101 9.048 9.020 1.00 0.00 H new ATOM 0 HG LEU A 62 9.049 6.773 9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.381 6.908 11.842 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.206 8.390 11.303 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.436 8.374 11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.040 5.578 10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.042 6.991 9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.886 6.087 8.560 1.00 0.00 H new ATOM 956 N ASP A 63 8.567 10.479 6.445 1.00 0.00 N ATOM 957 CA ASP A 63 8.261 11.701 5.711 1.00 0.00 C ATOM 958 C ASP A 63 9.338 11.995 4.671 1.00 0.00 C ATOM 959 O ASP A 63 10.279 12.752 4.912 1.00 0.00 O ATOM 960 CB ASP A 63 8.130 12.881 6.675 1.00 0.00 C ATOM 961 CG ASP A 63 7.914 14.197 5.953 1.00 0.00 C ATOM 962 OD1 ASP A 63 6.877 14.337 5.272 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.783 15.087 6.069 1.00 0.00 O ATOM 0 H ASP A 63 9.492 10.465 6.874 1.00 0.00 H new ATOM 0 HA ASP A 63 7.312 11.557 5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.296 12.701 7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.030 12.949 7.286 1.00 0.00 H new ATOM 968 N PRO A 64 9.201 11.381 3.486 1.00 0.00 N ATOM 969 CA PRO A 64 10.153 11.561 2.386 1.00 0.00 C ATOM 970 C PRO A 64 10.083 12.959 1.781 1.00 0.00 C ATOM 971 O PRO A 64 9.092 13.321 1.147 1.00 0.00 O ATOM 972 CB PRO A 64 9.714 10.512 1.362 1.00 0.00 C ATOM 973 CG PRO A 64 8.268 10.289 1.645 1.00 0.00 C ATOM 974 CD PRO A 64 8.104 10.466 3.129 1.00 0.00 C ATOM 0 HA PRO A 64 11.185 11.447 2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.868 10.865 0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.285 9.590 1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.649 10.999 1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.959 9.291 1.335 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.131 10.889 3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.184 9.517 3.658 1.00 0.00 H new ATOM 982 N GLN A 65 11.140 13.739 1.981 1.00 0.00 N ATOM 983 CA GLN A 65 11.197 15.098 1.455 1.00 0.00 C ATOM 984 C GLN A 65 11.655 15.099 0.000 1.00 0.00 C ATOM 985 O GLN A 65 11.308 15.995 -0.771 1.00 0.00 O ATOM 986 CB GLN A 65 12.140 15.956 2.300 1.00 0.00 C ATOM 987 CG GLN A 65 11.858 17.447 2.202 1.00 0.00 C ATOM 988 CD GLN A 65 13.097 18.291 2.428 1.00 0.00 C ATOM 989 OE1 GLN A 65 13.592 18.399 3.550 1.00 0.00 O ATOM 990 NE2 GLN A 65 13.606 18.894 1.360 1.00 0.00 N ATOM 0 H GLN A 65 11.968 13.454 2.503 1.00 0.00 H new ATOM 0 HA GLN A 65 10.194 15.521 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.062 15.648 3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.167 15.768 1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.445 17.671 1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.099 17.718 2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.163 18.777 0.449 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.440 19.474 1.451 1.00 0.00 H new ATOM 999 N THR A 66 12.438 14.090 -0.370 1.00 0.00 N ATOM 1000 CA THR A 66 12.945 13.976 -1.731 1.00 0.00 C ATOM 1001 C THR A 66 12.573 12.631 -2.346 1.00 0.00 C ATOM 1002 O THR A 66 12.069 11.743 -1.658 1.00 0.00 O ATOM 1003 CB THR A 66 14.476 14.141 -1.776 1.00 0.00 C ATOM 1004 OG1 THR A 66 15.104 13.087 -1.038 1.00 0.00 O ATOM 1005 CG2 THR A 66 14.892 15.487 -1.202 1.00 0.00 C ATOM 0 H THR A 66 12.734 13.340 0.255 1.00 0.00 H new ATOM 0 HA THR A 66 12.483 14.777 -2.308 1.00 0.00 H new ATOM 0 HB THR A 66 14.794 14.094 -2.817 1.00 0.00 H new ATOM 0 HG1 THR A 66 16.077 13.198 -1.073 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.977 15.581 -1.244 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.436 16.288 -1.784 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.562 15.558 -0.166 1.00 0.00 H new ATOM 1013 N GLU A 67 12.824 12.489 -3.643 1.00 0.00 N ATOM 1014 CA GLU A 67 12.514 11.251 -4.349 1.00 0.00 C ATOM 1015 C GLU A 67 13.279 10.075 -3.748 1.00 0.00 C ATOM 1016 O GLU A 67 12.687 9.069 -3.360 1.00 0.00 O ATOM 1017 CB GLU A 67 12.852 11.387 -5.835 1.00 0.00 C ATOM 1018 CG GLU A 67 12.812 10.070 -6.592 1.00 0.00 C ATOM 1019 CD GLU A 67 13.486 10.155 -7.947 1.00 0.00 C ATOM 1020 OE1 GLU A 67 13.003 10.927 -8.802 1.00 0.00 O ATOM 1021 OE2 GLU A 67 14.497 9.451 -8.154 1.00 0.00 O ATOM 0 H GLU A 67 13.241 13.215 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 67 11.446 11.060 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.151 12.083 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.846 11.823 -5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.299 9.298 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.775 9.763 -6.725 1.00 0.00 H new ATOM 1028 N ALA A 68 14.599 10.211 -3.676 1.00 0.00 N ATOM 1029 CA ALA A 68 15.446 9.162 -3.122 1.00 0.00 C ATOM 1030 C ALA A 68 14.794 8.518 -1.902 1.00 0.00 C ATOM 1031 O ALA A 68 14.862 7.302 -1.720 1.00 0.00 O ATOM 1032 CB ALA A 68 16.812 9.724 -2.757 1.00 0.00 C ATOM 0 H ALA A 68 15.105 11.037 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 68 15.574 8.392 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.434 8.930 -2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.288 10.131 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.694 10.514 -2.016 1.00 0.00 H new ATOM 1038 N ASP A 69 14.165 9.340 -1.070 1.00 0.00 N ATOM 1039 CA ASP A 69 13.500 8.850 0.132 1.00 0.00 C ATOM 1040 C ASP A 69 12.275 8.016 -0.226 1.00 0.00 C ATOM 1041 O ASP A 69 11.974 7.022 0.436 1.00 0.00 O ATOM 1042 CB ASP A 69 13.092 10.021 1.027 1.00 0.00 C ATOM 1043 CG ASP A 69 14.230 10.503 1.905 1.00 0.00 C ATOM 1044 OD1 ASP A 69 15.051 9.662 2.329 1.00 0.00 O ATOM 1045 OD2 ASP A 69 14.301 11.722 2.168 1.00 0.00 O ATOM 0 H ASP A 69 14.101 10.349 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 69 14.202 8.216 0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.743 10.845 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.255 9.719 1.656 1.00 0.00 H new ATOM 1050 N CYS A 70 11.572 8.427 -1.275 1.00 0.00 N ATOM 1051 CA CYS A 70 10.377 7.718 -1.720 1.00 0.00 C ATOM 1052 C CYS A 70 10.732 6.332 -2.249 1.00 0.00 C ATOM 1053 O CYS A 70 10.283 5.318 -1.713 1.00 0.00 O ATOM 1054 CB CYS A 70 9.656 8.521 -2.804 1.00 0.00 C ATOM 1055 SG CYS A 70 8.970 10.091 -2.226 1.00 0.00 S ATOM 0 H CYS A 70 11.808 9.247 -1.833 1.00 0.00 H new ATOM 0 HA CYS A 70 9.714 7.601 -0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.353 8.719 -3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.850 7.914 -3.215 1.00 0.00 H new ATOM 0 HG CYS A 70 9.939 10.915 -1.957 1.00 0.00 H new ATOM 1061 N ILE A 71 11.540 6.296 -3.303 1.00 0.00 N ATOM 1062 CA ILE A 71 11.955 5.035 -3.905 1.00 0.00 C ATOM 1063 C ILE A 71 12.409 4.042 -2.840 1.00 0.00 C ATOM 1064 O ILE A 71 12.118 2.849 -2.924 1.00 0.00 O ATOM 1065 CB ILE A 71 13.096 5.242 -4.918 1.00 0.00 C ATOM 1066 CG1 ILE A 71 12.659 6.211 -6.019 1.00 0.00 C ATOM 1067 CG2 ILE A 71 13.522 3.910 -5.516 1.00 0.00 C ATOM 1068 CD1 ILE A 71 11.514 5.694 -6.860 1.00 0.00 C ATOM 0 H ILE A 71 11.920 7.126 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 71 11.087 4.634 -4.427 1.00 0.00 H new ATOM 0 HB ILE A 71 13.951 5.674 -4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.366 7.157 -5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.510 6.419 -6.667 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.329 4.073 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.868 3.249 -4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.674 3.452 -6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.258 6.433 -7.619 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.809 4.763 -7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.648 5.513 -6.223 1.00 0.00 H new ATOM 1080 N ASN A 72 13.124 4.543 -1.838 1.00 0.00 N ATOM 1081 CA ASN A 72 13.618 3.700 -0.755 1.00 0.00 C ATOM 1082 C ASN A 72 12.472 2.950 -0.084 1.00 0.00 C ATOM 1083 O ASN A 72 12.535 1.735 0.100 1.00 0.00 O ATOM 1084 CB ASN A 72 14.364 4.546 0.278 1.00 0.00 C ATOM 1085 CG ASN A 72 15.759 4.924 -0.182 1.00 0.00 C ATOM 1086 OD1 ASN A 72 16.302 4.326 -1.111 1.00 0.00 O ATOM 1087 ND2 ASN A 72 16.346 5.923 0.468 1.00 0.00 N ATOM 0 H ASN A 72 13.374 5.528 -1.753 1.00 0.00 H new ATOM 0 HA ASN A 72 14.306 2.970 -1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 72 13.794 5.452 0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.431 3.994 1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.284 6.223 0.203 1.00 0.00 H new ATOM 0 HD22 ASN A 72 15.858 6.390 1.232 1.00 0.00 H new ATOM 1094 N ASN A 73 11.425 3.683 0.280 1.00 0.00 N ATOM 1095 CA ASN A 73 10.264 3.087 0.932 1.00 0.00 C ATOM 1096 C ASN A 73 9.711 1.930 0.106 1.00 0.00 C ATOM 1097 O ASN A 73 9.709 0.782 0.551 1.00 0.00 O ATOM 1098 CB ASN A 73 9.176 4.142 1.146 1.00 0.00 C ATOM 1099 CG ASN A 73 9.625 5.256 2.071 1.00 0.00 C ATOM 1100 OD1 ASN A 73 10.667 5.158 2.719 1.00 0.00 O ATOM 1101 ND2 ASN A 73 8.838 6.323 2.137 1.00 0.00 N ATOM 0 H ASN A 73 11.356 4.690 0.135 1.00 0.00 H new ATOM 0 HA ASN A 73 10.581 2.700 1.900 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.890 4.566 0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.288 3.665 1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.088 7.105 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.983 6.361 1.582 1.00 0.00 H new ATOM 1108 N ILE A 74 9.244 2.240 -1.098 1.00 0.00 N ATOM 1109 CA ILE A 74 8.690 1.226 -1.987 1.00 0.00 C ATOM 1110 C ILE A 74 9.554 -0.031 -1.993 1.00 0.00 C ATOM 1111 O ILE A 74 9.109 -1.103 -1.586 1.00 0.00 O ATOM 1112 CB ILE A 74 8.559 1.752 -3.429 1.00 0.00 C ATOM 1113 CG1 ILE A 74 7.646 2.979 -3.466 1.00 0.00 C ATOM 1114 CG2 ILE A 74 8.026 0.660 -4.344 1.00 0.00 C ATOM 1115 CD1 ILE A 74 7.955 3.927 -4.603 1.00 0.00 C ATOM 0 H ILE A 74 9.238 3.185 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 74 7.698 0.981 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 74 9.546 2.047 -3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.611 2.649 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.734 3.516 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.939 1.047 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.711 -0.188 -4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 74 7.046 0.338 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.269 4.774 -4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.980 4.286 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.839 3.406 -5.553 1.00 0.00 H new ATOM 1127 N ASN A 75 10.792 0.111 -2.455 1.00 0.00 N ATOM 1128 CA ASN A 75 11.719 -1.013 -2.513 1.00 0.00 C ATOM 1129 C ASN A 75 11.647 -1.844 -1.235 1.00 0.00 C ATOM 1130 O ASN A 75 11.507 -3.066 -1.284 1.00 0.00 O ATOM 1131 CB ASN A 75 13.148 -0.512 -2.729 1.00 0.00 C ATOM 1132 CG ASN A 75 13.486 -0.343 -4.198 1.00 0.00 C ATOM 1133 OD1 ASN A 75 14.151 -1.191 -4.794 1.00 0.00 O ATOM 1134 ND2 ASN A 75 13.029 0.755 -4.788 1.00 0.00 N ATOM 0 H ASN A 75 11.176 0.993 -2.794 1.00 0.00 H new ATOM 0 HA ASN A 75 11.432 -1.645 -3.353 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.277 0.442 -2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.848 -1.214 -2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.225 0.923 -5.775 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.482 1.431 -4.255 1.00 0.00 H new ATOM 1141 N ASP A 76 11.744 -1.172 -0.093 1.00 0.00 N ATOM 1142 CA ASP A 76 11.688 -1.847 1.198 1.00 0.00 C ATOM 1143 C ASP A 76 10.402 -2.657 1.333 1.00 0.00 C ATOM 1144 O ASP A 76 10.439 -3.864 1.574 1.00 0.00 O ATOM 1145 CB ASP A 76 11.785 -0.828 2.335 1.00 0.00 C ATOM 1146 CG ASP A 76 13.213 -0.400 2.609 1.00 0.00 C ATOM 1147 OD1 ASP A 76 14.043 -1.277 2.929 1.00 0.00 O ATOM 1148 OD2 ASP A 76 13.501 0.810 2.504 1.00 0.00 O ATOM 0 H ASP A 76 11.862 -0.160 -0.035 1.00 0.00 H new ATOM 0 HA ASP A 76 12.535 -2.531 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.188 0.049 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.357 -1.257 3.241 1.00 0.00 H new ATOM 1153 N PHE A 77 9.267 -1.985 1.177 1.00 0.00 N ATOM 1154 CA PHE A 77 7.969 -2.642 1.283 1.00 0.00 C ATOM 1155 C PHE A 77 7.940 -3.926 0.459 1.00 0.00 C ATOM 1156 O PHE A 77 7.432 -4.954 0.909 1.00 0.00 O ATOM 1157 CB PHE A 77 6.857 -1.699 0.818 1.00 0.00 C ATOM 1158 CG PHE A 77 5.650 -2.415 0.281 1.00 0.00 C ATOM 1159 CD1 PHE A 77 4.939 -3.296 1.080 1.00 0.00 C ATOM 1160 CD2 PHE A 77 5.228 -2.207 -1.022 1.00 0.00 C ATOM 1161 CE1 PHE A 77 3.828 -3.956 0.589 1.00 0.00 C ATOM 1162 CE2 PHE A 77 4.117 -2.864 -1.518 1.00 0.00 C ATOM 1163 CZ PHE A 77 3.417 -3.740 -0.712 1.00 0.00 C ATOM 0 H PHE A 77 9.219 -0.986 0.977 1.00 0.00 H new ATOM 0 HA PHE A 77 7.804 -2.899 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.554 -1.068 1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.251 -1.038 0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.256 -3.469 2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.773 -1.524 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.282 -4.640 1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.797 -2.692 -2.535 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.550 -4.255 -1.098 1.00 0.00 H new ATOM 1173 N LEU A 78 8.489 -3.859 -0.749 1.00 0.00 N ATOM 1174 CA LEU A 78 8.527 -5.016 -1.637 1.00 0.00 C ATOM 1175 C LEU A 78 9.279 -6.174 -0.990 1.00 0.00 C ATOM 1176 O LEU A 78 8.824 -7.318 -1.020 1.00 0.00 O ATOM 1177 CB LEU A 78 9.186 -4.642 -2.965 1.00 0.00 C ATOM 1178 CG LEU A 78 8.464 -3.584 -3.800 1.00 0.00 C ATOM 1179 CD1 LEU A 78 9.359 -3.087 -4.924 1.00 0.00 C ATOM 1180 CD2 LEU A 78 7.163 -4.142 -4.359 1.00 0.00 C ATOM 0 H LEU A 78 8.914 -3.016 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 78 7.501 -5.334 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.195 -4.286 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.283 -5.546 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 78 8.226 -2.740 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.827 -2.335 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.263 -2.647 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.629 -3.922 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.663 -3.375 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.378 -5.004 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.515 -4.447 -3.537 1.00 0.00 H new ATOM 1192 N LYS A 79 10.432 -5.871 -0.404 1.00 0.00 N ATOM 1193 CA LYS A 79 11.247 -6.885 0.253 1.00 0.00 C ATOM 1194 C LYS A 79 10.374 -7.863 1.034 1.00 0.00 C ATOM 1195 O LYS A 79 10.722 -9.033 1.188 1.00 0.00 O ATOM 1196 CB LYS A 79 12.259 -6.225 1.193 1.00 0.00 C ATOM 1197 CG LYS A 79 13.186 -5.244 0.497 1.00 0.00 C ATOM 1198 CD LYS A 79 14.330 -5.957 -0.203 1.00 0.00 C ATOM 1199 CE LYS A 79 15.459 -4.998 -0.546 1.00 0.00 C ATOM 1200 NZ LYS A 79 16.738 -5.715 -0.804 1.00 0.00 N ATOM 0 H LYS A 79 10.823 -4.930 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 79 11.783 -7.439 -0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.721 -5.704 1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.857 -7.000 1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.620 -4.661 -0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.587 -4.541 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.710 -6.753 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.963 -6.429 -1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.186 -4.415 -1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.597 -4.292 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.482 -5.026 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.013 -6.251 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.614 -6.370 -1.602 1.00 0.00 H new ATOM 1214 N GLY A 80 9.238 -7.374 1.523 1.00 0.00 N ATOM 1215 CA GLY A 80 8.333 -8.219 2.280 1.00 0.00 C ATOM 1216 C GLY A 80 7.254 -8.836 1.413 1.00 0.00 C ATOM 1217 O GLY A 80 6.813 -9.959 1.663 1.00 0.00 O ATOM 0 H GLY A 80 8.929 -6.409 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.902 -9.012 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.867 -7.631 3.071 1.00 0.00 H new ATOM 1221 N CYS A 81 6.827 -8.103 0.391 1.00 0.00 N ATOM 1222 CA CYS A 81 5.790 -8.584 -0.515 1.00 0.00 C ATOM 1223 C CYS A 81 6.184 -9.924 -1.129 1.00 0.00 C ATOM 1224 O CYS A 81 5.332 -10.775 -1.383 1.00 0.00 O ATOM 1225 CB CYS A 81 5.534 -7.559 -1.621 1.00 0.00 C ATOM 1226 SG CYS A 81 6.758 -7.588 -2.952 1.00 0.00 S ATOM 0 H CYS A 81 7.183 -7.173 0.169 1.00 0.00 H new ATOM 0 HA CYS A 81 4.875 -8.723 0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.546 -7.738 -2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.515 -6.562 -1.181 1.00 0.00 H new ATOM 0 HG CYS A 81 7.953 -7.627 -2.442 1.00 0.00 H new ATOM 1232 N ALA A 82 7.479 -10.103 -1.365 1.00 0.00 N ATOM 1233 CA ALA A 82 7.985 -11.339 -1.948 1.00 0.00 C ATOM 1234 C ALA A 82 7.531 -12.552 -1.144 1.00 0.00 C ATOM 1235 O ALA A 82 7.097 -13.558 -1.707 1.00 0.00 O ATOM 1236 CB ALA A 82 9.504 -11.299 -2.034 1.00 0.00 C ATOM 0 H ALA A 82 8.197 -9.408 -1.161 1.00 0.00 H new ATOM 0 HA ALA A 82 7.577 -11.430 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.868 -12.229 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.811 -10.460 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.922 -11.180 -1.034 1.00 0.00 H new ATOM 1242 N THR A 83 7.633 -12.452 0.178 1.00 0.00 N ATOM 1243 CA THR A 83 7.234 -13.542 1.060 1.00 0.00 C ATOM 1244 C THR A 83 5.849 -14.064 0.697 1.00 0.00 C ATOM 1245 O THR A 83 5.611 -15.273 0.691 1.00 0.00 O ATOM 1246 CB THR A 83 7.233 -13.099 2.535 1.00 0.00 C ATOM 1247 OG1 THR A 83 8.499 -12.524 2.875 1.00 0.00 O ATOM 1248 CG2 THR A 83 6.941 -14.276 3.454 1.00 0.00 C ATOM 0 H THR A 83 7.989 -11.627 0.661 1.00 0.00 H new ATOM 0 HA THR A 83 7.966 -14.339 0.928 1.00 0.00 H new ATOM 0 HB THR A 83 6.449 -12.353 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.489 -12.243 3.814 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.946 -13.938 4.490 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.963 -14.692 3.212 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.705 -15.042 3.319 1.00 0.00 H new ATOM 1256 N LEU A 84 4.937 -13.147 0.393 1.00 0.00 N ATOM 1257 CA LEU A 84 3.573 -13.515 0.028 1.00 0.00 C ATOM 1258 C LEU A 84 3.528 -14.113 -1.375 1.00 0.00 C ATOM 1259 O LEU A 84 2.602 -14.847 -1.717 1.00 0.00 O ATOM 1260 CB LEU A 84 2.656 -12.294 0.104 1.00 0.00 C ATOM 1261 CG LEU A 84 2.494 -11.661 1.486 1.00 0.00 C ATOM 1262 CD1 LEU A 84 2.211 -10.172 1.362 1.00 0.00 C ATOM 1263 CD2 LEU A 84 1.385 -12.354 2.264 1.00 0.00 C ATOM 0 H LEU A 84 5.117 -12.143 0.392 1.00 0.00 H new ATOM 0 HA LEU A 84 3.224 -14.267 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.038 -11.535 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.670 -12.582 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 84 3.428 -11.788 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.099 -9.739 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.039 -9.686 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.292 -10.022 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.284 -11.890 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.445 -12.260 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.630 -13.409 2.385 1.00 0.00 H new ATOM 1275 N GLN A 85 4.536 -13.794 -2.181 1.00 0.00 N ATOM 1276 CA GLN A 85 4.611 -14.301 -3.546 1.00 0.00 C ATOM 1277 C GLN A 85 3.371 -13.908 -4.342 1.00 0.00 C ATOM 1278 O GLN A 85 2.753 -14.745 -5.001 1.00 0.00 O ATOM 1279 CB GLN A 85 4.767 -15.823 -3.540 1.00 0.00 C ATOM 1280 CG GLN A 85 5.998 -16.305 -2.789 1.00 0.00 C ATOM 1281 CD GLN A 85 5.857 -17.730 -2.291 1.00 0.00 C ATOM 1282 OE1 GLN A 85 6.068 -18.685 -3.038 1.00 0.00 O ATOM 1283 NE2 GLN A 85 5.498 -17.880 -1.021 1.00 0.00 N ATOM 0 H GLN A 85 5.311 -13.188 -1.913 1.00 0.00 H new ATOM 0 HA GLN A 85 5.483 -13.856 -4.024 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.880 -16.269 -3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.817 -16.179 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.868 -16.237 -3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.184 -15.645 -1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.333 -17.060 -0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.387 -18.815 -0.629 1.00 0.00 H new ATOM 1292 N VAL A 86 3.011 -12.630 -4.276 1.00 0.00 N ATOM 1293 CA VAL A 86 1.845 -12.126 -4.991 1.00 0.00 C ATOM 1294 C VAL A 86 2.250 -11.129 -6.070 1.00 0.00 C ATOM 1295 O VAL A 86 3.410 -10.727 -6.153 1.00 0.00 O ATOM 1296 CB VAL A 86 0.847 -11.451 -4.031 1.00 0.00 C ATOM 1297 CG1 VAL A 86 0.304 -12.459 -3.029 1.00 0.00 C ATOM 1298 CG2 VAL A 86 1.504 -10.279 -3.318 1.00 0.00 C ATOM 0 H VAL A 86 3.511 -11.925 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 86 1.364 -12.985 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 86 0.010 -11.069 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.399 -11.964 -2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.206 -13.262 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.127 -12.874 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.785 -9.814 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.360 -10.635 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.838 -9.547 -4.053 1.00 0.00 H new ATOM 1308 N GLU A 87 1.285 -10.732 -6.894 1.00 0.00 N ATOM 1309 CA GLU A 87 1.543 -9.780 -7.968 1.00 0.00 C ATOM 1310 C GLU A 87 2.231 -8.528 -7.433 1.00 0.00 C ATOM 1311 O GLU A 87 1.718 -7.862 -6.532 1.00 0.00 O ATOM 1312 CB GLU A 87 0.236 -9.399 -8.666 1.00 0.00 C ATOM 1313 CG GLU A 87 -0.376 -10.531 -9.473 1.00 0.00 C ATOM 1314 CD GLU A 87 -1.883 -10.412 -9.597 1.00 0.00 C ATOM 1315 OE1 GLU A 87 -2.538 -10.089 -8.584 1.00 0.00 O ATOM 1316 OE2 GLU A 87 -2.407 -10.641 -10.707 1.00 0.00 O ATOM 0 H GLU A 87 0.319 -11.054 -6.838 1.00 0.00 H new ATOM 0 HA GLU A 87 2.206 -10.257 -8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.483 -9.068 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.420 -8.552 -9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.067 -10.543 -10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.128 -11.483 -9.003 1.00 0.00 H new ATOM 1323 N ILE A 88 3.394 -8.214 -7.992 1.00 0.00 N ATOM 1324 CA ILE A 88 4.152 -7.042 -7.571 1.00 0.00 C ATOM 1325 C ILE A 88 4.254 -6.020 -8.698 1.00 0.00 C ATOM 1326 O ILE A 88 3.758 -6.245 -9.802 1.00 0.00 O ATOM 1327 CB ILE A 88 5.571 -7.425 -7.111 1.00 0.00 C ATOM 1328 CG1 ILE A 88 6.268 -8.267 -8.181 1.00 0.00 C ATOM 1329 CG2 ILE A 88 5.514 -8.177 -5.790 1.00 0.00 C ATOM 1330 CD1 ILE A 88 7.777 -8.169 -8.139 1.00 0.00 C ATOM 0 H ILE A 88 3.832 -8.755 -8.738 1.00 0.00 H new ATOM 0 HA ILE A 88 3.613 -6.602 -6.732 1.00 0.00 H new ATOM 0 HB ILE A 88 6.148 -6.512 -6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.976 -9.310 -8.058 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.919 -7.952 -9.164 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.524 -8.441 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.053 -7.545 -5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.924 -9.085 -5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.204 -8.791 -8.925 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.079 -7.133 -8.292 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.137 -8.512 -7.169 1.00 0.00 H new ATOM 1342 N PHE A 89 4.901 -4.895 -8.413 1.00 0.00 N ATOM 1343 CA PHE A 89 5.069 -3.837 -9.402 1.00 0.00 C ATOM 1344 C PHE A 89 6.436 -3.173 -9.261 1.00 0.00 C ATOM 1345 O PHE A 89 7.261 -3.591 -8.449 1.00 0.00 O ATOM 1346 CB PHE A 89 3.963 -2.790 -9.254 1.00 0.00 C ATOM 1347 CG PHE A 89 3.790 -2.297 -7.846 1.00 0.00 C ATOM 1348 CD1 PHE A 89 4.665 -1.365 -7.312 1.00 0.00 C ATOM 1349 CD2 PHE A 89 2.751 -2.765 -7.057 1.00 0.00 C ATOM 1350 CE1 PHE A 89 4.508 -0.909 -6.017 1.00 0.00 C ATOM 1351 CE2 PHE A 89 2.589 -2.311 -5.762 1.00 0.00 C ATOM 1352 CZ PHE A 89 3.469 -1.383 -5.240 1.00 0.00 C ATOM 0 H PHE A 89 5.318 -4.692 -7.504 1.00 0.00 H new ATOM 0 HA PHE A 89 5.003 -4.287 -10.393 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.186 -1.943 -9.902 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.021 -3.216 -9.600 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.479 -0.991 -7.915 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.061 -3.492 -7.459 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.197 -0.182 -5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.774 -2.682 -5.158 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.345 -1.029 -4.227 1.00 0.00 H new ATOM 1362 N ASP A 90 6.668 -2.136 -10.059 1.00 0.00 N ATOM 1363 CA ASP A 90 7.933 -1.412 -10.024 1.00 0.00 C ATOM 1364 C ASP A 90 7.782 -0.089 -9.280 1.00 0.00 C ATOM 1365 O ASP A 90 6.687 0.458 -9.153 1.00 0.00 O ATOM 1366 CB ASP A 90 8.440 -1.159 -11.445 1.00 0.00 C ATOM 1367 CG ASP A 90 9.177 -2.353 -12.018 1.00 0.00 C ATOM 1368 OD1 ASP A 90 9.875 -3.046 -11.249 1.00 0.00 O ATOM 1369 OD2 ASP A 90 9.054 -2.595 -13.237 1.00 0.00 O ATOM 0 H ASP A 90 5.996 -1.778 -10.738 1.00 0.00 H new ATOM 0 HA ASP A 90 8.660 -2.026 -9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.597 -0.913 -12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.103 -0.294 -11.442 1.00 0.00 H new ATOM 1374 N PRO A 91 8.908 0.439 -8.777 1.00 0.00 N ATOM 1375 CA PRO A 91 8.927 1.705 -8.037 1.00 0.00 C ATOM 1376 C PRO A 91 8.649 2.905 -8.935 1.00 0.00 C ATOM 1377 O PRO A 91 8.436 4.018 -8.452 1.00 0.00 O ATOM 1378 CB PRO A 91 10.352 1.770 -7.483 1.00 0.00 C ATOM 1379 CG PRO A 91 11.161 0.940 -8.418 1.00 0.00 C ATOM 1380 CD PRO A 91 10.249 -0.158 -8.892 1.00 0.00 C ATOM 0 HA PRO A 91 8.154 1.740 -7.269 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.717 2.797 -7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.399 1.381 -6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.522 1.536 -9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.038 0.530 -7.917 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.472 -0.451 -9.918 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.344 -1.053 -8.277 1.00 0.00 H new ATOM 1388 N ASP A 92 8.651 2.673 -10.243 1.00 0.00 N ATOM 1389 CA ASP A 92 8.398 3.736 -11.209 1.00 0.00 C ATOM 1390 C ASP A 92 6.912 3.822 -11.545 1.00 0.00 C ATOM 1391 O ASP A 92 6.357 4.913 -11.673 1.00 0.00 O ATOM 1392 CB ASP A 92 9.208 3.500 -12.484 1.00 0.00 C ATOM 1393 CG ASP A 92 10.700 3.646 -12.257 1.00 0.00 C ATOM 1394 OD1 ASP A 92 11.215 3.050 -11.288 1.00 0.00 O ATOM 1395 OD2 ASP A 92 11.353 4.357 -13.049 1.00 0.00 O ATOM 0 H ASP A 92 8.825 1.758 -10.659 1.00 0.00 H new ATOM 0 HA ASP A 92 8.707 4.681 -10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 92 8.997 2.501 -12.865 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.889 4.207 -13.250 1.00 0.00 H new ATOM 1400 N ASP A 93 6.275 2.665 -11.686 1.00 0.00 N ATOM 1401 CA ASP A 93 4.853 2.609 -12.007 1.00 0.00 C ATOM 1402 C ASP A 93 4.021 3.254 -10.903 1.00 0.00 C ATOM 1403 O ASP A 93 3.045 3.954 -11.175 1.00 0.00 O ATOM 1404 CB ASP A 93 4.412 1.160 -12.215 1.00 0.00 C ATOM 1405 CG ASP A 93 4.674 0.671 -13.626 1.00 0.00 C ATOM 1406 OD1 ASP A 93 5.839 0.343 -13.933 1.00 0.00 O ATOM 1407 OD2 ASP A 93 3.714 0.618 -14.424 1.00 0.00 O ATOM 0 H ASP A 93 6.720 1.753 -11.583 1.00 0.00 H new ATOM 0 HA ASP A 93 4.692 3.165 -12.930 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.938 0.518 -11.508 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.348 1.072 -11.995 1.00 0.00 H new ATOM 1412 N LEU A 94 4.413 3.012 -9.657 1.00 0.00 N ATOM 1413 CA LEU A 94 3.702 3.568 -8.510 1.00 0.00 C ATOM 1414 C LEU A 94 4.097 5.023 -8.278 1.00 0.00 C ATOM 1415 O LEU A 94 3.249 5.915 -8.279 1.00 0.00 O ATOM 1416 CB LEU A 94 3.993 2.743 -7.256 1.00 0.00 C ATOM 1417 CG LEU A 94 3.565 3.367 -5.927 1.00 0.00 C ATOM 1418 CD1 LEU A 94 2.088 3.726 -5.958 1.00 0.00 C ATOM 1419 CD2 LEU A 94 3.862 2.420 -4.773 1.00 0.00 C ATOM 0 H LEU A 94 5.219 2.435 -9.415 1.00 0.00 H new ATOM 0 HA LEU A 94 2.634 3.530 -8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.497 1.778 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.065 2.548 -7.214 1.00 0.00 H new ATOM 0 HG LEU A 94 4.137 4.282 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.801 4.169 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.904 4.441 -6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.498 2.826 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.551 2.880 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.316 1.488 -4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.932 2.213 -4.738 1.00 0.00 H new ATOM 1431 N TYR A 95 5.390 5.255 -8.082 1.00 0.00 N ATOM 1432 CA TYR A 95 5.898 6.602 -7.849 1.00 0.00 C ATOM 1433 C TYR A 95 5.457 7.551 -8.959 1.00 0.00 C ATOM 1434 O TYR A 95 4.721 8.507 -8.718 1.00 0.00 O ATOM 1435 CB TYR A 95 7.425 6.585 -7.755 1.00 0.00 C ATOM 1436 CG TYR A 95 8.033 7.950 -7.523 1.00 0.00 C ATOM 1437 CD1 TYR A 95 7.711 8.693 -6.394 1.00 0.00 C ATOM 1438 CD2 TYR A 95 8.930 8.496 -8.433 1.00 0.00 C ATOM 1439 CE1 TYR A 95 8.264 9.941 -6.179 1.00 0.00 C ATOM 1440 CE2 TYR A 95 9.488 9.742 -8.225 1.00 0.00 C ATOM 1441 CZ TYR A 95 9.152 10.461 -7.097 1.00 0.00 C ATOM 1442 OH TYR A 95 9.705 11.703 -6.886 1.00 0.00 O ATOM 0 H TYR A 95 6.106 4.528 -8.080 1.00 0.00 H new ATOM 0 HA TYR A 95 5.486 6.959 -6.905 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.723 5.921 -6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.833 6.167 -8.675 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.017 8.288 -5.672 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.195 7.937 -9.318 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.002 10.506 -5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 95 10.184 10.151 -8.942 1.00 0.00 H new ATOM 0 HH TYR A 95 10.310 11.922 -7.625 1.00 0.00 H new ATOM 1452 N SER A 96 5.912 7.277 -10.178 1.00 0.00 N ATOM 1453 CA SER A 96 5.567 8.107 -11.327 1.00 0.00 C ATOM 1454 C SER A 96 4.059 8.117 -11.556 1.00 0.00 C ATOM 1455 O SER A 96 3.470 9.160 -11.838 1.00 0.00 O ATOM 1456 CB SER A 96 6.282 7.601 -12.581 1.00 0.00 C ATOM 1457 OG SER A 96 6.214 8.554 -13.627 1.00 0.00 O ATOM 0 H SER A 96 6.520 6.487 -10.395 1.00 0.00 H new ATOM 0 HA SER A 96 5.892 9.126 -11.119 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.325 7.387 -12.347 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.830 6.665 -12.908 1.00 0.00 H new ATOM 0 HG SER A 96 6.680 8.207 -14.416 1.00 0.00 H new ATOM 1463 N GLY A 97 3.440 6.947 -11.434 1.00 0.00 N ATOM 1464 CA GLY A 97 2.006 6.842 -11.632 1.00 0.00 C ATOM 1465 C GLY A 97 1.644 6.422 -13.043 1.00 0.00 C ATOM 1466 O GLY A 97 0.722 6.972 -13.645 1.00 0.00 O ATOM 0 H GLY A 97 3.906 6.070 -11.202 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.597 6.120 -10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.541 7.803 -11.412 1.00 0.00 H new ATOM 1470 N VAL A 98 2.374 5.446 -13.574 1.00 0.00 N ATOM 1471 CA VAL A 98 2.125 4.953 -14.923 1.00 0.00 C ATOM 1472 C VAL A 98 1.026 3.897 -14.929 1.00 0.00 C ATOM 1473 O VAL A 98 -0.005 4.065 -15.579 1.00 0.00 O ATOM 1474 CB VAL A 98 3.401 4.353 -15.545 1.00 0.00 C ATOM 1475 CG1 VAL A 98 3.114 3.818 -16.940 1.00 0.00 C ATOM 1476 CG2 VAL A 98 4.513 5.390 -15.582 1.00 0.00 C ATOM 0 H VAL A 98 3.142 4.981 -13.090 1.00 0.00 H new ATOM 0 HA VAL A 98 1.806 5.808 -15.518 1.00 0.00 H new ATOM 0 HB VAL A 98 3.731 3.521 -14.923 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.026 3.398 -17.364 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.350 3.042 -16.882 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.759 4.630 -17.575 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.407 4.950 -16.024 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.195 6.243 -16.181 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.736 5.721 -14.568 1.00 0.00 H new ATOM 1486 N ASN A 99 1.253 2.810 -14.200 1.00 0.00 N ATOM 1487 CA ASN A 99 0.280 1.726 -14.120 1.00 0.00 C ATOM 1488 C ASN A 99 -0.166 1.500 -12.679 1.00 0.00 C ATOM 1489 O ASN A 99 0.351 0.621 -11.989 1.00 0.00 O ATOM 1490 CB ASN A 99 0.876 0.437 -14.690 1.00 0.00 C ATOM 1491 CG ASN A 99 -0.191 -0.561 -15.098 1.00 0.00 C ATOM 1492 OD1 ASN A 99 -1.211 -0.707 -14.425 1.00 0.00 O ATOM 1493 ND2 ASN A 99 0.042 -1.255 -16.207 1.00 0.00 N ATOM 0 H ASN A 99 2.102 2.656 -13.656 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.592 2.008 -14.710 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.495 0.677 -15.554 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.530 -0.018 -13.946 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.639 -1.942 -16.531 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.902 -1.101 -16.734 1.00 0.00 H new ATOM 1500 N PHE A 100 -1.129 2.298 -12.231 1.00 0.00 N ATOM 1501 CA PHE A 100 -1.645 2.186 -10.872 1.00 0.00 C ATOM 1502 C PHE A 100 -2.477 0.917 -10.709 1.00 0.00 C ATOM 1503 O PHE A 100 -2.407 0.244 -9.681 1.00 0.00 O ATOM 1504 CB PHE A 100 -2.491 3.412 -10.522 1.00 0.00 C ATOM 1505 CG PHE A 100 -3.058 3.372 -9.132 1.00 0.00 C ATOM 1506 CD1 PHE A 100 -2.225 3.447 -8.028 1.00 0.00 C ATOM 1507 CD2 PHE A 100 -4.424 3.259 -8.930 1.00 0.00 C ATOM 1508 CE1 PHE A 100 -2.745 3.410 -6.747 1.00 0.00 C ATOM 1509 CE2 PHE A 100 -4.950 3.222 -7.652 1.00 0.00 C ATOM 1510 CZ PHE A 100 -4.108 3.298 -6.559 1.00 0.00 C ATOM 0 H PHE A 100 -1.568 3.030 -12.790 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.796 2.133 -10.191 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.880 4.308 -10.631 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.309 3.495 -11.237 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.158 3.535 -8.169 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.086 3.199 -9.781 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.085 3.469 -5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.017 3.134 -7.508 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.516 3.270 -5.559 1.00 0.00 H new ATOM 1520 N SER A 101 -3.263 0.597 -11.732 1.00 0.00 N ATOM 1521 CA SER A 101 -4.112 -0.589 -11.702 1.00 0.00 C ATOM 1522 C SER A 101 -3.362 -1.779 -11.113 1.00 0.00 C ATOM 1523 O SER A 101 -3.942 -2.610 -10.414 1.00 0.00 O ATOM 1524 CB SER A 101 -4.603 -0.927 -13.111 1.00 0.00 C ATOM 1525 OG SER A 101 -5.677 -0.085 -13.492 1.00 0.00 O ATOM 0 H SER A 101 -3.330 1.142 -12.592 1.00 0.00 H new ATOM 0 HA SER A 101 -4.972 -0.374 -11.068 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.783 -0.819 -13.821 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.922 -1.969 -13.148 1.00 0.00 H new ATOM 0 HG SER A 101 -5.972 -0.320 -14.397 1.00 0.00 H new ATOM 1531 N LYS A 102 -2.067 -1.855 -11.400 1.00 0.00 N ATOM 1532 CA LYS A 102 -1.233 -2.942 -10.900 1.00 0.00 C ATOM 1533 C LYS A 102 -1.091 -2.865 -9.383 1.00 0.00 C ATOM 1534 O LYS A 102 -1.469 -3.791 -8.666 1.00 0.00 O ATOM 1535 CB LYS A 102 0.149 -2.896 -11.555 1.00 0.00 C ATOM 1536 CG LYS A 102 0.196 -3.556 -12.922 1.00 0.00 C ATOM 1537 CD LYS A 102 1.586 -3.481 -13.530 1.00 0.00 C ATOM 1538 CE LYS A 102 2.516 -4.522 -12.926 1.00 0.00 C ATOM 1539 NZ LYS A 102 2.169 -5.900 -13.371 1.00 0.00 N ATOM 0 H LYS A 102 -1.571 -1.176 -11.977 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.717 -3.885 -11.155 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.462 -1.856 -11.652 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.869 -3.386 -10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.108 -4.599 -12.834 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.519 -3.071 -13.586 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.521 -3.631 -14.608 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.000 -2.485 -13.371 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.545 -4.297 -13.208 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.465 -4.468 -11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.970 -6.537 -13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.333 -6.233 -12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.961 -5.894 -14.390 1.00 0.00 H new ATOM 1553 N VAL A 103 -0.545 -1.753 -8.900 1.00 0.00 N ATOM 1554 CA VAL A 103 -0.356 -1.553 -7.469 1.00 0.00 C ATOM 1555 C VAL A 103 -1.621 -1.903 -6.693 1.00 0.00 C ATOM 1556 O VAL A 103 -1.561 -2.534 -5.637 1.00 0.00 O ATOM 1557 CB VAL A 103 0.042 -0.099 -7.152 1.00 0.00 C ATOM 1558 CG1 VAL A 103 0.126 0.116 -5.649 1.00 0.00 C ATOM 1559 CG2 VAL A 103 1.361 0.250 -7.824 1.00 0.00 C ATOM 0 H VAL A 103 -0.226 -0.977 -9.480 1.00 0.00 H new ATOM 0 HA VAL A 103 0.451 -2.218 -7.161 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.727 0.565 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.408 1.149 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.844 -0.091 -5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.874 -0.555 -5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.627 1.281 -7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.142 -0.418 -7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.260 0.138 -8.904 1.00 0.00 H new ATOM 1569 N LEU A 104 -2.767 -1.489 -7.223 1.00 0.00 N ATOM 1570 CA LEU A 104 -4.048 -1.759 -6.581 1.00 0.00 C ATOM 1571 C LEU A 104 -4.272 -3.259 -6.420 1.00 0.00 C ATOM 1572 O LEU A 104 -4.570 -3.738 -5.326 1.00 0.00 O ATOM 1573 CB LEU A 104 -5.189 -1.147 -7.397 1.00 0.00 C ATOM 1574 CG LEU A 104 -6.596 -1.337 -6.831 1.00 0.00 C ATOM 1575 CD1 LEU A 104 -6.729 -0.640 -5.486 1.00 0.00 C ATOM 1576 CD2 LEU A 104 -7.639 -0.816 -7.809 1.00 0.00 C ATOM 0 H LEU A 104 -2.835 -0.965 -8.096 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.032 -1.304 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.002 -0.078 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.162 -1.574 -8.399 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.766 -2.403 -6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.737 -0.786 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.007 -1.060 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.538 0.426 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.635 -0.959 -7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.471 0.246 -7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.560 -1.361 -8.750 1.00 0.00 H new ATOM 1588 N SER A 105 -4.122 -3.996 -7.516 1.00 0.00 N ATOM 1589 CA SER A 105 -4.309 -5.442 -7.496 1.00 0.00 C ATOM 1590 C SER A 105 -3.254 -6.114 -6.623 1.00 0.00 C ATOM 1591 O SER A 105 -3.479 -7.194 -6.076 1.00 0.00 O ATOM 1592 CB SER A 105 -4.245 -6.005 -8.918 1.00 0.00 C ATOM 1593 OG SER A 105 -2.962 -5.808 -9.487 1.00 0.00 O ATOM 0 H SER A 105 -3.872 -3.616 -8.429 1.00 0.00 H new ATOM 0 HA SER A 105 -5.292 -5.651 -7.074 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.480 -7.069 -8.902 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.000 -5.521 -9.538 1.00 0.00 H new ATOM 0 HG SER A 105 -2.527 -5.043 -9.056 1.00 0.00 H new ATOM 1599 N THR A 106 -2.100 -5.466 -6.496 1.00 0.00 N ATOM 1600 CA THR A 106 -1.009 -6.000 -5.690 1.00 0.00 C ATOM 1601 C THR A 106 -1.376 -6.019 -4.211 1.00 0.00 C ATOM 1602 O THR A 106 -1.108 -6.994 -3.507 1.00 0.00 O ATOM 1603 CB THR A 106 0.281 -5.180 -5.877 1.00 0.00 C ATOM 1604 OG1 THR A 106 0.793 -5.367 -7.201 1.00 0.00 O ATOM 1605 CG2 THR A 106 1.334 -5.588 -4.858 1.00 0.00 C ATOM 0 H THR A 106 -1.897 -4.571 -6.941 1.00 0.00 H new ATOM 0 HA THR A 106 -0.835 -7.020 -6.031 1.00 0.00 H new ATOM 0 HB THR A 106 0.041 -4.127 -5.726 1.00 0.00 H new ATOM 0 HG1 THR A 106 1.274 -6.220 -7.248 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.236 -4.995 -5.010 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.952 -5.416 -3.852 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.569 -6.645 -4.981 1.00 0.00 H new ATOM 1613 N LEU A 107 -1.991 -4.938 -3.745 1.00 0.00 N ATOM 1614 CA LEU A 107 -2.396 -4.831 -2.347 1.00 0.00 C ATOM 1615 C LEU A 107 -3.618 -5.699 -2.067 1.00 0.00 C ATOM 1616 O LEU A 107 -3.817 -6.166 -0.944 1.00 0.00 O ATOM 1617 CB LEU A 107 -2.699 -3.374 -1.994 1.00 0.00 C ATOM 1618 CG LEU A 107 -1.487 -2.454 -1.843 1.00 0.00 C ATOM 1619 CD1 LEU A 107 -1.929 -1.004 -1.718 1.00 0.00 C ATOM 1620 CD2 LEU A 107 -0.652 -2.865 -0.639 1.00 0.00 C ATOM 0 H LEU A 107 -2.220 -4.123 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.572 -5.185 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.349 -2.962 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.262 -3.357 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.870 -2.548 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.053 -0.364 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.483 -0.714 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.568 -0.893 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.206 -2.199 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.259 -2.801 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.304 -3.890 -0.770 1.00 0.00 H new ATOM 1632 N LEU A 108 -4.434 -5.913 -3.093 1.00 0.00 N ATOM 1633 CA LEU A 108 -5.637 -6.727 -2.958 1.00 0.00 C ATOM 1634 C LEU A 108 -5.280 -8.179 -2.658 1.00 0.00 C ATOM 1635 O LEU A 108 -5.908 -8.822 -1.817 1.00 0.00 O ATOM 1636 CB LEU A 108 -6.475 -6.649 -4.235 1.00 0.00 C ATOM 1637 CG LEU A 108 -7.470 -5.490 -4.315 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -8.041 -5.373 -5.720 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.586 -5.674 -3.298 1.00 0.00 C ATOM 0 H LEU A 108 -4.285 -5.534 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.220 -6.336 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.798 -6.580 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.027 -7.583 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.941 -4.566 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.747 -4.543 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.232 -5.194 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.554 -6.298 -5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.284 -4.840 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.113 -6.607 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.162 -5.707 -2.294 1.00 0.00 H new ATOM 1651 N ALA A 109 -4.267 -8.690 -3.350 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.824 -10.064 -3.155 1.00 0.00 C ATOM 1653 C ALA A 109 -3.266 -10.267 -1.751 1.00 0.00 C ATOM 1654 O ALA A 109 -3.569 -11.259 -1.088 1.00 0.00 O ATOM 1655 CB ALA A 109 -2.782 -10.436 -4.199 1.00 0.00 C ATOM 0 H ALA A 109 -3.738 -8.172 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.688 -10.718 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.460 -11.465 -4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.214 -10.340 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.924 -9.770 -4.110 1.00 0.00 H new ATOM 1661 N VAL A 110 -2.447 -9.321 -1.302 1.00 0.00 N ATOM 1662 CA VAL A 110 -1.846 -9.395 0.024 1.00 0.00 C ATOM 1663 C VAL A 110 -2.911 -9.554 1.102 1.00 0.00 C ATOM 1664 O VAL A 110 -2.759 -10.351 2.027 1.00 0.00 O ATOM 1665 CB VAL A 110 -1.005 -8.142 0.330 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -0.368 -8.249 1.707 1.00 0.00 C ATOM 1667 CG2 VAL A 110 0.056 -7.937 -0.742 1.00 0.00 C ATOM 0 H VAL A 110 -2.185 -8.494 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.196 -10.270 0.028 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.665 -7.274 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.222 -7.354 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.148 -8.344 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.279 -9.126 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 110 0.641 -7.047 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.714 -8.806 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.426 -7.811 -1.712 1.00 0.00 H new ATOM 1677 N ASN A 111 -3.992 -8.791 0.976 1.00 0.00 N ATOM 1678 CA ASN A 111 -5.084 -8.847 1.940 1.00 0.00 C ATOM 1679 C ASN A 111 -5.805 -10.190 1.868 1.00 0.00 C ATOM 1680 O ASN A 111 -6.170 -10.767 2.893 1.00 0.00 O ATOM 1681 CB ASN A 111 -6.075 -7.709 1.686 1.00 0.00 C ATOM 1682 CG ASN A 111 -7.412 -7.945 2.363 1.00 0.00 C ATOM 1683 OD1 ASN A 111 -8.255 -8.686 1.855 1.00 0.00 O ATOM 1684 ND2 ASN A 111 -7.613 -7.314 3.514 1.00 0.00 N ATOM 0 H ASN A 111 -4.135 -8.127 0.215 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.661 -8.735 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.649 -6.773 2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.229 -7.598 0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.494 -7.434 4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.887 -6.710 3.898 1.00 0.00 H new ATOM 1691 N LYS A 112 -6.006 -10.682 0.651 1.00 0.00 N ATOM 1692 CA LYS A 112 -6.681 -11.958 0.443 1.00 0.00 C ATOM 1693 C LYS A 112 -5.795 -13.120 0.879 1.00 0.00 C ATOM 1694 O LYS A 112 -6.245 -14.262 0.954 1.00 0.00 O ATOM 1695 CB LYS A 112 -7.067 -12.120 -1.029 1.00 0.00 C ATOM 1696 CG LYS A 112 -8.059 -13.243 -1.278 1.00 0.00 C ATOM 1697 CD LYS A 112 -9.492 -12.770 -1.103 1.00 0.00 C ATOM 1698 CE LYS A 112 -10.486 -13.799 -1.620 1.00 0.00 C ATOM 1699 NZ LYS A 112 -10.803 -13.589 -3.059 1.00 0.00 N ATOM 0 H LYS A 112 -5.711 -10.216 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.585 -11.966 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.493 -11.184 -1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.166 -12.306 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -7.924 -13.632 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.860 -14.065 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.685 -12.574 -0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.633 -11.828 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.078 -14.800 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.404 -13.744 -1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.483 -14.310 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.216 -12.643 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.932 -13.667 -3.621 1.00 0.00 H new ATOM 1713 N ALA A 113 -4.532 -12.820 1.166 1.00 0.00 N ATOM 1714 CA ALA A 113 -3.584 -13.839 1.597 1.00 0.00 C ATOM 1715 C ALA A 113 -3.241 -13.679 3.075 1.00 0.00 C ATOM 1716 O ALA A 113 -2.695 -14.590 3.698 1.00 0.00 O ATOM 1717 CB ALA A 113 -2.321 -13.777 0.751 1.00 0.00 C ATOM 0 H ALA A 113 -4.142 -11.879 1.108 1.00 0.00 H new ATOM 0 HA ALA A 113 -4.051 -14.815 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.622 -14.544 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.575 -13.948 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.860 -12.795 0.857 1.00 0.00 H new ATOM 1723 N THR A 114 -3.564 -12.516 3.630 1.00 0.00 N ATOM 1724 CA THR A 114 -3.289 -12.236 5.034 1.00 0.00 C ATOM 1725 C THR A 114 -4.547 -12.384 5.881 1.00 0.00 C ATOM 1726 O THR A 114 -4.521 -13.001 6.945 1.00 0.00 O ATOM 1727 CB THR A 114 -2.720 -10.817 5.223 1.00 0.00 C ATOM 1728 OG1 THR A 114 -3.507 -9.872 4.490 1.00 0.00 O ATOM 1729 CG2 THR A 114 -1.273 -10.748 4.759 1.00 0.00 C ATOM 0 H THR A 114 -4.017 -11.752 3.129 1.00 0.00 H new ATOM 0 HA THR A 114 -2.547 -12.964 5.362 1.00 0.00 H new ATOM 0 HB THR A 114 -2.756 -10.573 6.285 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.077 -9.686 3.629 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.893 -9.737 4.902 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.671 -11.447 5.339 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.217 -11.011 3.703 1.00 0.00 H new