USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 73:sc= -0.622 USER MOD Single : A 14 HIS : no HE2:sc= -1.57 K(o=-1.6,f=-2.1) USER MOD Single : A 15 SER OG : rot 10:sc= 0.551 USER MOD Single : A 16 ASN : amide:sc= -0.825 K(o=-0.82,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0803 X(o=-0.08,f=-0.08) USER MOD Single : A 22 HIS : no HE2:sc= -0.756 X(o=-0.76,f=-0.67) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -162:sc= 0.492 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0069 X(o=-0.0069,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.521 K(o=-0.52,f=-1.5) USER MOD Single : A 39 GLN : amide:sc= -0.0649 X(o=-0.065,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.3) USER MOD Single : A 50 SER OG : rot 101:sc= 0.128 USER MOD Single : A 52 GLN : amide:sc= -0.725 K(o=-0.73,f=-4.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.26) USER MOD Single : A 59 LYS NZ :NH3+ -155:sc= -0.639 (180deg=-1.54!) USER MOD Single : A 60 SER OG : rot 180:sc=0.000362 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0.0221 (180deg=0.0151) USER MOD Single : A 64 MET CE :methyl -173:sc= -0.064 (180deg=-0.149) USER MOD Single : A 66 THR OG1 : rot -140:sc= -0.846 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0223 K(o=-0.022,f=-1.3) USER MOD Single : A 77 CYS SG : rot 124:sc= -3.84! USER MOD Single : A 80 MET CE :methyl -148:sc= 0 (180deg=-1.12) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.037 11.017 11.689 1.00 0.00 N ATOM 60 CA GLY A 7 5.007 10.145 11.155 1.00 0.00 C ATOM 61 C GLY A 7 3.630 10.777 11.202 1.00 0.00 C ATOM 62 O GLY A 7 3.488 11.946 11.563 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.251 9.889 10.124 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.995 9.213 11.720 1.00 0.00 H new ATOM 66 N LEU A 8 2.614 10.006 10.834 1.00 0.00 N ATOM 67 CA LEU A 8 1.240 10.498 10.834 1.00 0.00 C ATOM 68 C LEU A 8 0.305 9.501 11.511 1.00 0.00 C ATOM 69 O LEU A 8 0.532 8.291 11.470 1.00 0.00 O ATOM 70 CB LEU A 8 0.772 10.762 9.402 1.00 0.00 C ATOM 71 CG LEU A 8 0.961 9.613 8.412 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.117 9.650 7.340 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.344 9.673 7.781 1.00 0.00 C ATOM 0 H LEU A 8 2.715 9.037 10.531 1.00 0.00 H new ATOM 0 HA LEU A 8 1.214 11.432 11.396 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.286 11.022 9.429 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.304 11.634 9.022 1.00 0.00 H new ATOM 0 HG LEU A 8 0.873 8.673 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.033 8.825 6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.098 9.557 7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.061 10.595 6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.460 8.847 7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.462 10.618 7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.103 9.597 8.560 1.00 0.00 H new ATOM 85 N THR A 9 -0.751 10.017 12.134 1.00 0.00 N ATOM 86 CA THR A 9 -1.722 9.173 12.819 1.00 0.00 C ATOM 87 C THR A 9 -2.955 8.940 11.954 1.00 0.00 C ATOM 88 O THR A 9 -3.855 9.777 11.900 1.00 0.00 O ATOM 89 CB THR A 9 -2.159 9.794 14.159 1.00 0.00 C ATOM 90 OG1 THR A 9 -1.011 10.067 14.970 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.103 8.862 14.905 1.00 0.00 C ATOM 0 H THR A 9 -0.955 11.015 12.178 1.00 0.00 H new ATOM 0 HA THR A 9 -1.231 8.219 13.012 1.00 0.00 H new ATOM 0 HB THR A 9 -2.684 10.726 13.948 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.297 10.463 15.819 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.398 9.322 15.848 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.989 8.679 14.297 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.599 7.917 15.104 1.00 0.00 H new ATOM 99 N VAL A 10 -2.990 7.796 11.277 1.00 0.00 N ATOM 100 CA VAL A 10 -4.114 7.451 10.415 1.00 0.00 C ATOM 101 C VAL A 10 -4.742 6.127 10.834 1.00 0.00 C ATOM 102 O VAL A 10 -4.040 5.153 11.112 1.00 0.00 O ATOM 103 CB VAL A 10 -3.682 7.358 8.940 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.401 6.549 8.808 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.794 6.752 8.097 1.00 0.00 C ATOM 0 H VAL A 10 -2.252 7.092 11.309 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.850 8.248 10.521 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.486 8.365 8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.112 6.494 7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.607 7.030 9.379 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.565 5.542 9.192 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.472 6.694 7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.023 5.751 8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.685 7.377 8.166 1.00 0.00 H new ATOM 115 N THR A 11 -6.070 6.095 10.878 1.00 0.00 N ATOM 116 CA THR A 11 -6.794 4.890 11.263 1.00 0.00 C ATOM 117 C THR A 11 -7.038 3.987 10.060 1.00 0.00 C ATOM 118 O THR A 11 -7.193 4.462 8.935 1.00 0.00 O ATOM 119 CB THR A 11 -8.147 5.232 11.916 1.00 0.00 C ATOM 120 OG1 THR A 11 -7.934 5.823 13.203 1.00 0.00 O ATOM 121 CG2 THR A 11 -9.008 3.987 12.061 1.00 0.00 C ATOM 0 H THR A 11 -6.667 6.891 10.651 1.00 0.00 H new ATOM 0 HA THR A 11 -6.171 4.365 11.987 1.00 0.00 H new ATOM 0 HB THR A 11 -8.667 5.941 11.272 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.798 6.039 13.611 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.958 4.254 12.524 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.193 3.556 11.077 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.492 3.258 12.686 1.00 0.00 H new ATOM 129 N VAL A 12 -7.071 2.680 10.304 1.00 0.00 N ATOM 130 CA VAL A 12 -7.298 1.710 9.240 1.00 0.00 C ATOM 131 C VAL A 12 -8.567 0.903 9.493 1.00 0.00 C ATOM 132 O VAL A 12 -8.639 0.119 10.440 1.00 0.00 O ATOM 133 CB VAL A 12 -6.108 0.743 9.099 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.487 -0.450 8.235 1.00 0.00 C ATOM 135 CG2 VAL A 12 -4.900 1.466 8.523 1.00 0.00 C ATOM 0 H VAL A 12 -6.943 2.269 11.229 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.409 2.276 8.315 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.844 0.373 10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.633 -1.122 8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.321 -0.981 8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.779 -0.103 7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.068 0.768 8.430 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.150 1.866 7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.615 2.283 9.185 1.00 0.00 H new ATOM 145 N THR A 13 -9.567 1.099 8.640 1.00 0.00 N ATOM 146 CA THR A 13 -10.834 0.391 8.771 1.00 0.00 C ATOM 147 C THR A 13 -10.728 -1.030 8.230 1.00 0.00 C ATOM 148 O THR A 13 -10.810 -1.254 7.022 1.00 0.00 O ATOM 149 CB THR A 13 -11.968 1.126 8.031 1.00 0.00 C ATOM 150 OG1 THR A 13 -11.919 2.526 8.328 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.325 0.566 8.428 1.00 0.00 C ATOM 0 H THR A 13 -9.524 1.743 7.850 1.00 0.00 H new ATOM 0 HA THR A 13 -11.067 0.356 9.835 1.00 0.00 H new ATOM 0 HB THR A 13 -11.830 0.977 6.960 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.155 2.932 7.867 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.110 1.101 7.893 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.370 -0.493 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.469 0.689 9.501 1.00 0.00 H new ATOM 159 N HIS A 14 -10.545 -1.990 9.132 1.00 0.00 N ATOM 160 CA HIS A 14 -10.429 -3.391 8.745 1.00 0.00 C ATOM 161 C HIS A 14 -11.261 -4.279 9.665 1.00 0.00 C ATOM 162 O HIS A 14 -11.576 -3.899 10.792 1.00 0.00 O ATOM 163 CB HIS A 14 -8.965 -3.832 8.778 1.00 0.00 C ATOM 164 CG HIS A 14 -8.738 -5.199 8.211 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.477 -6.304 8.993 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.736 -5.637 6.931 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.323 -7.363 8.218 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.475 -6.985 6.962 1.00 0.00 N ATOM 0 H HIS A 14 -10.474 -1.823 10.136 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.809 -3.494 7.728 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.365 -3.112 8.221 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.611 -3.812 9.809 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.413 -6.304 10.011 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.908 -5.038 6.049 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.109 -8.367 8.554 1.00 0.00 H new ATOM 177 N SER A 15 -11.614 -5.464 9.175 1.00 0.00 N ATOM 178 CA SER A 15 -12.414 -6.404 9.951 1.00 0.00 C ATOM 179 C SER A 15 -13.656 -5.724 10.516 1.00 0.00 C ATOM 180 O SER A 15 -14.064 -5.990 11.646 1.00 0.00 O ATOM 181 CB SER A 15 -11.581 -6.997 11.089 1.00 0.00 C ATOM 182 OG SER A 15 -11.144 -5.986 11.981 1.00 0.00 O ATOM 0 H SER A 15 -11.358 -5.795 8.245 1.00 0.00 H new ATOM 0 HA SER A 15 -12.732 -7.207 9.286 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.173 -7.734 11.632 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.718 -7.521 10.678 1.00 0.00 H new ATOM 0 HG SER A 15 -11.595 -5.143 11.766 1.00 0.00 H new ATOM 188 N ASN A 16 -14.254 -4.843 9.721 1.00 0.00 N ATOM 189 CA ASN A 16 -15.451 -4.122 10.141 1.00 0.00 C ATOM 190 C ASN A 16 -15.207 -3.379 11.450 1.00 0.00 C ATOM 191 O ASN A 16 -16.141 -3.102 12.202 1.00 0.00 O ATOM 192 CB ASN A 16 -16.624 -5.091 10.302 1.00 0.00 C ATOM 193 CG ASN A 16 -17.927 -4.375 10.602 1.00 0.00 C ATOM 194 OD1 ASN A 16 -18.382 -4.343 11.746 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.535 -3.797 9.573 1.00 0.00 N ATOM 0 H ASN A 16 -13.930 -4.611 8.782 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.695 -3.391 9.370 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.736 -5.677 9.390 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -16.404 -5.793 11.107 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -19.415 -3.301 9.714 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.122 -3.849 8.642 1.00 0.00 H new ATOM 202 N GLU A 17 -13.944 -3.058 11.716 1.00 0.00 N ATOM 203 CA GLU A 17 -13.577 -2.347 12.935 1.00 0.00 C ATOM 204 C GLU A 17 -12.562 -1.248 12.639 1.00 0.00 C ATOM 205 O GLU A 17 -12.040 -1.151 11.528 1.00 0.00 O ATOM 206 CB GLU A 17 -13.005 -3.321 13.968 1.00 0.00 C ATOM 207 CG GLU A 17 -14.056 -4.202 14.622 1.00 0.00 C ATOM 208 CD GLU A 17 -13.589 -4.786 15.941 1.00 0.00 C ATOM 209 OE1 GLU A 17 -12.881 -4.078 16.687 1.00 0.00 O ATOM 210 OE2 GLU A 17 -13.932 -5.953 16.227 1.00 0.00 O ATOM 0 H GLU A 17 -13.159 -3.279 11.104 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.477 -1.886 13.341 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.262 -3.955 13.484 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.486 -2.754 14.741 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.962 -3.619 14.788 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.319 -5.013 13.943 1.00 0.00 H new ATOM 217 N LYS A 18 -12.286 -0.420 13.641 1.00 0.00 N ATOM 218 CA LYS A 18 -11.333 0.673 13.491 1.00 0.00 C ATOM 219 C LYS A 18 -10.080 0.421 14.324 1.00 0.00 C ATOM 220 O LYS A 18 -10.165 -0.003 15.477 1.00 0.00 O ATOM 221 CB LYS A 18 -11.976 1.999 13.906 1.00 0.00 C ATOM 222 CG LYS A 18 -13.055 2.477 12.949 1.00 0.00 C ATOM 223 CD LYS A 18 -12.478 3.357 11.853 1.00 0.00 C ATOM 224 CE LYS A 18 -13.508 3.647 10.771 1.00 0.00 C ATOM 225 NZ LYS A 18 -14.386 4.793 11.134 1.00 0.00 N ATOM 0 H LYS A 18 -12.709 -0.485 14.567 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.045 0.729 12.441 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.407 1.888 14.901 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.201 2.762 13.978 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.553 1.617 12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.813 3.032 13.502 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.128 4.295 12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.611 2.867 11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.998 3.864 9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.119 2.760 10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.074 4.959 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.893 4.576 12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.806 5.646 11.268 1.00 0.00 H new ATOM 239 N HIS A 19 -8.919 0.687 13.734 1.00 0.00 N ATOM 240 CA HIS A 19 -7.649 0.491 14.424 1.00 0.00 C ATOM 241 C HIS A 19 -6.671 1.613 14.090 1.00 0.00 C ATOM 242 O HIS A 19 -6.122 1.665 12.988 1.00 0.00 O ATOM 243 CB HIS A 19 -7.042 -0.860 14.045 1.00 0.00 C ATOM 244 CG HIS A 19 -7.864 -2.031 14.488 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.936 -2.446 15.801 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.653 -2.876 13.785 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.732 -3.496 15.886 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.181 -3.778 14.676 1.00 0.00 N ATOM 0 H HIS A 19 -8.831 1.039 12.781 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.840 0.507 15.497 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.918 -0.902 12.963 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.047 -0.938 14.484 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.834 -2.847 12.721 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.975 -4.033 16.791 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.816 -4.541 14.442 1.00 0.00 H new ATOM 257 N ASP A 20 -6.457 2.510 15.046 1.00 0.00 N ATOM 258 CA ASP A 20 -5.545 3.631 14.854 1.00 0.00 C ATOM 259 C ASP A 20 -4.104 3.145 14.735 1.00 0.00 C ATOM 260 O ASP A 20 -3.617 2.398 15.585 1.00 0.00 O ATOM 261 CB ASP A 20 -5.668 4.621 16.013 1.00 0.00 C ATOM 262 CG ASP A 20 -5.728 3.931 17.361 1.00 0.00 C ATOM 263 OD1 ASP A 20 -6.830 3.501 17.759 1.00 0.00 O ATOM 264 OD2 ASP A 20 -4.672 3.820 18.019 1.00 0.00 O ATOM 0 H ASP A 20 -6.903 2.482 15.963 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.818 4.134 13.926 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.818 5.304 15.995 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.565 5.225 15.877 1.00 0.00 H new ATOM 269 N LEU A 21 -3.427 3.572 13.675 1.00 0.00 N ATOM 270 CA LEU A 21 -2.041 3.179 13.444 1.00 0.00 C ATOM 271 C LEU A 21 -1.157 4.403 13.227 1.00 0.00 C ATOM 272 O LEU A 21 -1.602 5.415 12.684 1.00 0.00 O ATOM 273 CB LEU A 21 -1.949 2.249 12.233 1.00 0.00 C ATOM 274 CG LEU A 21 -3.028 1.170 12.131 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.869 0.376 10.844 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.974 0.247 13.340 1.00 0.00 C ATOM 0 H LEU A 21 -3.815 4.190 12.962 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.687 2.650 14.329 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.986 2.857 11.329 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.975 1.760 12.249 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.003 1.658 12.114 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.645 -0.387 10.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.958 1.047 9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.889 -0.102 10.830 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.749 -0.515 13.251 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.997 -0.233 13.388 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.138 0.827 14.248 1.00 0.00 H new ATOM 288 N HIS A 22 0.098 4.304 13.654 1.00 0.00 N ATOM 289 CA HIS A 22 1.046 5.402 13.504 1.00 0.00 C ATOM 290 C HIS A 22 2.059 5.099 12.405 1.00 0.00 C ATOM 291 O HIS A 22 2.960 4.279 12.585 1.00 0.00 O ATOM 292 CB HIS A 22 1.771 5.662 14.825 1.00 0.00 C ATOM 293 CG HIS A 22 2.885 6.656 14.712 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.933 6.718 15.605 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.112 7.631 13.800 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.756 7.689 15.250 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.280 8.258 14.158 1.00 0.00 N ATOM 0 H HIS A 22 0.482 3.474 14.107 1.00 0.00 H new ATOM 0 HA HIS A 22 0.488 6.295 13.223 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.051 6.018 15.561 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.172 4.721 15.201 1.00 0.00 H new ATOM 0 HD1 HIS A 22 4.054 6.109 16.414 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.490 7.871 12.950 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.663 7.969 15.765 1.00 0.00 H new ATOM 306 N VAL A 23 1.906 5.766 11.265 1.00 0.00 N ATOM 307 CA VAL A 23 2.808 5.568 10.137 1.00 0.00 C ATOM 308 C VAL A 23 4.143 6.267 10.371 1.00 0.00 C ATOM 309 O VAL A 23 4.208 7.297 11.042 1.00 0.00 O ATOM 310 CB VAL A 23 2.190 6.091 8.826 1.00 0.00 C ATOM 311 CG1 VAL A 23 3.022 5.652 7.631 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.752 5.615 8.688 1.00 0.00 C ATOM 0 H VAL A 23 1.166 6.448 11.099 1.00 0.00 H new ATOM 0 HA VAL A 23 2.974 4.494 10.049 1.00 0.00 H new ATOM 0 HB VAL A 23 2.187 7.181 8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.570 6.031 6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.033 6.047 7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.060 4.563 7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.331 5.994 7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.729 4.525 8.680 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.164 5.984 9.528 1.00 0.00 H new ATOM 322 N THR A 24 5.207 5.700 9.812 1.00 0.00 N ATOM 323 CA THR A 24 6.541 6.267 9.959 1.00 0.00 C ATOM 324 C THR A 24 7.355 6.100 8.681 1.00 0.00 C ATOM 325 O THR A 24 7.096 5.200 7.883 1.00 0.00 O ATOM 326 CB THR A 24 7.303 5.614 11.128 1.00 0.00 C ATOM 327 OG1 THR A 24 7.323 4.192 10.967 1.00 0.00 O ATOM 328 CG2 THR A 24 6.659 5.970 12.460 1.00 0.00 C ATOM 0 H THR A 24 5.170 4.848 9.253 1.00 0.00 H new ATOM 0 HA THR A 24 6.411 7.329 10.167 1.00 0.00 H new ATOM 0 HB THR A 24 8.325 5.994 11.123 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.811 3.785 11.713 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.214 5.498 13.270 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.673 7.052 12.593 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.628 5.616 12.472 1.00 0.00 H new ATOM 336 N SER A 25 8.340 6.973 8.493 1.00 0.00 N ATOM 337 CA SER A 25 9.190 6.923 7.310 1.00 0.00 C ATOM 338 C SER A 25 10.198 5.782 7.412 1.00 0.00 C ATOM 339 O SER A 25 10.455 5.264 8.498 1.00 0.00 O ATOM 340 CB SER A 25 9.924 8.253 7.127 1.00 0.00 C ATOM 341 OG SER A 25 10.168 8.516 5.756 1.00 0.00 O ATOM 0 H SER A 25 8.569 7.723 9.145 1.00 0.00 H new ATOM 0 HA SER A 25 8.554 6.745 6.443 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.331 9.061 7.556 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.869 8.228 7.670 1.00 0.00 H new ATOM 0 HG SER A 25 10.867 9.198 5.673 1.00 0.00 H new ATOM 347 N GLN A 26 10.764 5.397 6.273 1.00 0.00 N ATOM 348 CA GLN A 26 11.743 4.317 6.233 1.00 0.00 C ATOM 349 C GLN A 26 13.142 4.840 6.538 1.00 0.00 C ATOM 350 O GLN A 26 14.126 4.383 5.956 1.00 0.00 O ATOM 351 CB GLN A 26 11.727 3.636 4.864 1.00 0.00 C ATOM 352 CG GLN A 26 10.380 3.030 4.501 1.00 0.00 C ATOM 353 CD GLN A 26 10.332 2.529 3.071 1.00 0.00 C ATOM 354 OE1 GLN A 26 10.474 1.333 2.816 1.00 0.00 O ATOM 355 NE2 GLN A 26 10.129 3.443 2.130 1.00 0.00 N ATOM 0 H GLN A 26 10.562 5.817 5.366 1.00 0.00 H new ATOM 0 HA GLN A 26 11.473 3.587 6.996 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.006 4.364 4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.485 2.852 4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.163 2.204 5.179 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.599 3.776 4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.017 4.424 2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.085 3.165 1.150 1.00 0.00 H new ATOM 364 N GLN A 27 13.224 5.801 7.453 1.00 0.00 N ATOM 365 CA GLN A 27 14.504 6.387 7.833 1.00 0.00 C ATOM 366 C GLN A 27 15.390 6.599 6.610 1.00 0.00 C ATOM 367 O GLN A 27 16.602 6.398 6.667 1.00 0.00 O ATOM 368 CB GLN A 27 15.218 5.490 8.845 1.00 0.00 C ATOM 369 CG GLN A 27 14.666 5.605 10.257 1.00 0.00 C ATOM 370 CD GLN A 27 15.257 6.773 11.021 1.00 0.00 C ATOM 371 OE1 GLN A 27 16.266 6.630 11.713 1.00 0.00 O ATOM 372 NE2 GLN A 27 14.631 7.937 10.901 1.00 0.00 N ATOM 0 H GLN A 27 12.419 6.190 7.945 1.00 0.00 H new ATOM 0 HA GLN A 27 14.310 7.357 8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.141 4.453 8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 27 16.278 5.742 8.857 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.583 5.716 10.212 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.869 4.681 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.798 8.010 10.317 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.983 8.758 11.393 1.00 0.00 H new ATOM 381 N GLY A 28 14.775 7.008 5.504 1.00 0.00 N ATOM 382 CA GLY A 28 15.524 7.240 4.282 1.00 0.00 C ATOM 383 C GLY A 28 15.018 8.445 3.513 1.00 0.00 C ATOM 384 O GLY A 28 15.807 9.259 3.033 1.00 0.00 O ATOM 0 H GLY A 28 13.773 7.183 5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.576 7.384 4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.462 6.356 3.648 1.00 0.00 H new ATOM 388 N SER A 29 13.699 8.558 3.394 1.00 0.00 N ATOM 389 CA SER A 29 13.090 9.669 2.673 1.00 0.00 C ATOM 390 C SER A 29 12.611 10.748 3.641 1.00 0.00 C ATOM 391 O SER A 29 12.141 10.448 4.738 1.00 0.00 O ATOM 392 CB SER A 29 11.917 9.173 1.825 1.00 0.00 C ATOM 393 OG SER A 29 11.678 10.038 0.729 1.00 0.00 O ATOM 0 H SER A 29 13.032 7.894 3.787 1.00 0.00 H new ATOM 0 HA SER A 29 13.846 10.102 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.128 8.168 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.021 9.107 2.442 1.00 0.00 H new ATOM 0 HG SER A 29 10.925 9.698 0.202 1.00 0.00 H new ATOM 399 N SER A 30 12.734 12.004 3.225 1.00 0.00 N ATOM 400 CA SER A 30 12.318 13.128 4.055 1.00 0.00 C ATOM 401 C SER A 30 10.952 12.866 4.680 1.00 0.00 C ATOM 402 O SER A 30 10.725 13.168 5.851 1.00 0.00 O ATOM 403 CB SER A 30 12.274 14.413 3.225 1.00 0.00 C ATOM 404 OG SER A 30 12.539 15.549 4.030 1.00 0.00 O ATOM 0 H SER A 30 13.118 12.269 2.318 1.00 0.00 H new ATOM 0 HA SER A 30 13.048 13.246 4.856 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.006 14.355 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.294 14.515 2.758 1.00 0.00 H new ATOM 0 HG SER A 30 12.507 16.357 3.476 1.00 0.00 H new ATOM 410 N GLU A 31 10.045 12.301 3.889 1.00 0.00 N ATOM 411 CA GLU A 31 8.700 11.998 4.365 1.00 0.00 C ATOM 412 C GLU A 31 8.328 10.550 4.059 1.00 0.00 C ATOM 413 O GLU A 31 8.812 9.947 3.101 1.00 0.00 O ATOM 414 CB GLU A 31 7.683 12.944 3.723 1.00 0.00 C ATOM 415 CG GLU A 31 7.633 12.847 2.207 1.00 0.00 C ATOM 416 CD GLU A 31 6.394 13.494 1.621 1.00 0.00 C ATOM 417 OE1 GLU A 31 5.404 13.662 2.365 1.00 0.00 O ATOM 418 OE2 GLU A 31 6.412 13.834 0.420 1.00 0.00 O ATOM 0 H GLU A 31 10.217 12.044 2.917 1.00 0.00 H new ATOM 0 HA GLU A 31 8.684 12.138 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.693 12.727 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.924 13.969 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.519 13.322 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.664 11.798 1.913 1.00 0.00 H new ATOM 425 N PRO A 32 7.446 9.978 4.892 1.00 0.00 N ATOM 426 CA PRO A 32 6.989 8.594 4.732 1.00 0.00 C ATOM 427 C PRO A 32 6.096 8.416 3.508 1.00 0.00 C ATOM 428 O PRO A 32 5.490 9.373 3.025 1.00 0.00 O ATOM 429 CB PRO A 32 6.196 8.332 6.014 1.00 0.00 C ATOM 430 CG PRO A 32 5.743 9.678 6.462 1.00 0.00 C ATOM 431 CD PRO A 32 6.827 10.637 6.054 1.00 0.00 C ATOM 0 HA PRO A 32 7.820 7.905 4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.349 7.671 5.828 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.815 7.851 6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.792 9.944 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.589 9.699 7.541 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.421 11.614 5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.547 10.795 6.857 1.00 0.00 H new ATOM 439 N VAL A 33 6.020 7.186 3.011 1.00 0.00 N ATOM 440 CA VAL A 33 5.200 6.883 1.844 1.00 0.00 C ATOM 441 C VAL A 33 4.295 5.684 2.105 1.00 0.00 C ATOM 442 O VAL A 33 4.429 5.000 3.120 1.00 0.00 O ATOM 443 CB VAL A 33 6.070 6.595 0.606 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.947 7.794 0.279 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.915 5.350 0.827 1.00 0.00 C ATOM 0 H VAL A 33 6.516 6.383 3.398 1.00 0.00 H new ATOM 0 HA VAL A 33 4.587 7.763 1.651 1.00 0.00 H new ATOM 0 HB VAL A 33 5.413 6.414 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.554 7.572 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.318 8.660 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.598 8.010 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.523 5.161 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.565 5.500 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.263 4.495 1.008 1.00 0.00 H new ATOM 455 N VAL A 34 3.371 5.435 1.182 1.00 0.00 N ATOM 456 CA VAL A 34 2.444 4.317 1.310 1.00 0.00 C ATOM 457 C VAL A 34 3.165 3.055 1.770 1.00 0.00 C ATOM 458 O VAL A 34 2.672 2.327 2.632 1.00 0.00 O ATOM 459 CB VAL A 34 1.725 4.028 -0.021 1.00 0.00 C ATOM 460 CG1 VAL A 34 1.060 2.660 0.017 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.706 5.117 -0.323 1.00 0.00 C ATOM 0 H VAL A 34 3.245 5.993 0.337 1.00 0.00 H new ATOM 0 HA VAL A 34 1.705 4.603 2.058 1.00 0.00 H new ATOM 0 HB VAL A 34 2.466 4.023 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.557 2.473 -0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.816 1.893 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.330 2.633 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.207 4.897 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.033 5.156 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.213 6.079 -0.396 1.00 0.00 H new ATOM 471 N GLN A 35 4.334 2.803 1.190 1.00 0.00 N ATOM 472 CA GLN A 35 5.123 1.628 1.541 1.00 0.00 C ATOM 473 C GLN A 35 5.135 1.411 3.051 1.00 0.00 C ATOM 474 O GLN A 35 5.018 0.282 3.527 1.00 0.00 O ATOM 475 CB GLN A 35 6.554 1.776 1.024 1.00 0.00 C ATOM 476 CG GLN A 35 7.410 0.537 1.238 1.00 0.00 C ATOM 477 CD GLN A 35 6.863 -0.681 0.520 1.00 0.00 C ATOM 478 OE1 GLN A 35 6.868 -0.745 -0.710 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.389 -1.656 1.286 1.00 0.00 N ATOM 0 H GLN A 35 4.756 3.396 0.475 1.00 0.00 H new ATOM 0 HA GLN A 35 4.662 0.759 1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.525 2.008 -0.041 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.025 2.623 1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.423 0.735 0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.476 0.326 2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.405 -1.560 2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.009 -2.501 0.859 1.00 0.00 H new ATOM 488 N ASP A 36 5.277 2.500 3.799 1.00 0.00 N ATOM 489 CA ASP A 36 5.304 2.429 5.255 1.00 0.00 C ATOM 490 C ASP A 36 3.923 2.094 5.808 1.00 0.00 C ATOM 491 O ASP A 36 3.792 1.304 6.744 1.00 0.00 O ATOM 492 CB ASP A 36 5.795 3.754 5.842 1.00 0.00 C ATOM 493 CG ASP A 36 7.274 3.981 5.602 1.00 0.00 C ATOM 494 OD1 ASP A 36 8.090 3.218 6.161 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.617 4.921 4.855 1.00 0.00 O ATOM 0 H ASP A 36 5.375 3.442 3.421 1.00 0.00 H new ATOM 0 HA ASP A 36 5.993 1.635 5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.228 4.575 5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.597 3.769 6.914 1.00 0.00 H new ATOM 500 N LEU A 37 2.894 2.700 5.225 1.00 0.00 N ATOM 501 CA LEU A 37 1.522 2.467 5.660 1.00 0.00 C ATOM 502 C LEU A 37 1.159 0.990 5.550 1.00 0.00 C ATOM 503 O LEU A 37 0.625 0.400 6.488 1.00 0.00 O ATOM 504 CB LEU A 37 0.552 3.306 4.826 1.00 0.00 C ATOM 505 CG LEU A 37 -0.879 2.775 4.724 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.520 2.704 6.101 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.706 3.648 3.792 1.00 0.00 C ATOM 0 H LEU A 37 2.984 3.357 4.450 1.00 0.00 H new ATOM 0 HA LEU A 37 1.443 2.764 6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.516 4.310 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.957 3.398 3.818 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.845 1.767 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.538 2.324 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.940 2.037 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.543 3.700 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.721 3.256 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.733 4.667 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.257 3.647 2.799 1.00 0.00 H new ATOM 519 N ALA A 38 1.454 0.398 4.397 1.00 0.00 N ATOM 520 CA ALA A 38 1.163 -1.012 4.165 1.00 0.00 C ATOM 521 C ALA A 38 1.826 -1.890 5.221 1.00 0.00 C ATOM 522 O ALA A 38 1.216 -2.829 5.732 1.00 0.00 O ATOM 523 CB ALA A 38 1.618 -1.423 2.773 1.00 0.00 C ATOM 0 H ALA A 38 1.894 0.873 3.609 1.00 0.00 H new ATOM 0 HA ALA A 38 0.084 -1.152 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.394 -2.478 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.094 -0.825 2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.692 -1.261 2.679 1.00 0.00 H new ATOM 529 N GLN A 39 3.077 -1.578 5.543 1.00 0.00 N ATOM 530 CA GLN A 39 3.823 -2.341 6.537 1.00 0.00 C ATOM 531 C GLN A 39 3.188 -2.203 7.917 1.00 0.00 C ATOM 532 O GLN A 39 2.922 -3.197 8.591 1.00 0.00 O ATOM 533 CB GLN A 39 5.279 -1.873 6.583 1.00 0.00 C ATOM 534 CG GLN A 39 6.191 -2.628 5.630 1.00 0.00 C ATOM 535 CD GLN A 39 7.617 -2.721 6.137 1.00 0.00 C ATOM 536 OE1 GLN A 39 8.546 -2.216 5.506 1.00 0.00 O ATOM 537 NE2 GLN A 39 7.797 -3.367 7.282 1.00 0.00 N ATOM 0 H GLN A 39 3.595 -0.802 5.130 1.00 0.00 H new ATOM 0 HA GLN A 39 3.796 -3.392 6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.318 -0.810 6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.656 -1.986 7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.798 -3.633 5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.186 -2.132 4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.998 -3.770 7.771 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.734 -3.461 7.673 1.00 0.00 H new ATOM 546 N VAL A 40 2.949 -0.963 8.332 1.00 0.00 N ATOM 547 CA VAL A 40 2.345 -0.694 9.631 1.00 0.00 C ATOM 548 C VAL A 40 1.144 -1.601 9.877 1.00 0.00 C ATOM 549 O VAL A 40 0.900 -2.034 11.003 1.00 0.00 O ATOM 550 CB VAL A 40 1.898 0.775 9.750 1.00 0.00 C ATOM 551 CG1 VAL A 40 0.998 0.963 10.961 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.107 1.695 9.825 1.00 0.00 C ATOM 0 H VAL A 40 3.165 -0.128 7.787 1.00 0.00 H new ATOM 0 HA VAL A 40 3.109 -0.895 10.382 1.00 0.00 H new ATOM 0 HB VAL A 40 1.326 1.036 8.859 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.692 2.007 11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.115 0.332 10.859 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.541 0.685 11.864 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.773 2.729 9.909 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.708 1.436 10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.708 1.580 8.923 1.00 0.00 H new ATOM 562 N VAL A 41 0.397 -1.885 8.815 1.00 0.00 N ATOM 563 CA VAL A 41 -0.779 -2.742 8.914 1.00 0.00 C ATOM 564 C VAL A 41 -0.382 -4.193 9.160 1.00 0.00 C ATOM 565 O VAL A 41 -0.775 -4.793 10.160 1.00 0.00 O ATOM 566 CB VAL A 41 -1.638 -2.666 7.638 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.817 -3.622 7.730 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.114 -1.241 7.401 1.00 0.00 C ATOM 0 H VAL A 41 0.585 -1.534 7.876 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.364 -2.380 9.759 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.024 -2.966 6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.412 -3.554 6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.450 -4.642 7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.435 -3.356 8.588 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.720 -1.206 6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.712 -0.911 8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.252 -0.584 7.287 1.00 0.00 H new ATOM 578 N GLU A 42 0.401 -4.751 8.242 1.00 0.00 N ATOM 579 CA GLU A 42 0.852 -6.132 8.360 1.00 0.00 C ATOM 580 C GLU A 42 1.664 -6.333 9.636 1.00 0.00 C ATOM 581 O GLU A 42 1.825 -7.456 10.111 1.00 0.00 O ATOM 582 CB GLU A 42 1.690 -6.525 7.142 1.00 0.00 C ATOM 583 CG GLU A 42 2.213 -7.951 7.197 1.00 0.00 C ATOM 584 CD GLU A 42 3.377 -8.108 8.157 1.00 0.00 C ATOM 585 OE1 GLU A 42 4.323 -7.296 8.080 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.342 -9.043 8.984 1.00 0.00 O ATOM 0 H GLU A 42 0.736 -4.268 7.409 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.030 -6.771 8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.087 -6.403 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.534 -5.841 7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.406 -8.619 7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.526 -8.258 6.199 1.00 0.00 H new ATOM 593 N GLU A 43 2.174 -5.234 10.185 1.00 0.00 N ATOM 594 CA GLU A 43 2.971 -5.289 11.405 1.00 0.00 C ATOM 595 C GLU A 43 2.092 -5.102 12.638 1.00 0.00 C ATOM 596 O GLU A 43 2.333 -5.704 13.684 1.00 0.00 O ATOM 597 CB GLU A 43 4.063 -4.218 11.376 1.00 0.00 C ATOM 598 CG GLU A 43 5.106 -4.441 10.294 1.00 0.00 C ATOM 599 CD GLU A 43 6.106 -5.520 10.661 1.00 0.00 C ATOM 600 OE1 GLU A 43 6.274 -5.785 11.870 1.00 0.00 O ATOM 601 OE2 GLU A 43 6.720 -6.099 9.740 1.00 0.00 O ATOM 0 H GLU A 43 2.049 -4.296 9.804 1.00 0.00 H new ATOM 0 HA GLU A 43 3.438 -6.272 11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.600 -3.243 11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.559 -4.190 12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.607 -4.715 9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.637 -3.507 10.108 1.00 0.00 H new ATOM 608 N VAL A 44 1.070 -4.261 12.507 1.00 0.00 N ATOM 609 CA VAL A 44 0.154 -3.994 13.609 1.00 0.00 C ATOM 610 C VAL A 44 -1.080 -4.885 13.527 1.00 0.00 C ATOM 611 O VAL A 44 -1.352 -5.671 14.435 1.00 0.00 O ATOM 612 CB VAL A 44 -0.291 -2.520 13.624 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.359 -2.295 14.683 1.00 0.00 C ATOM 614 CG2 VAL A 44 0.902 -1.605 13.856 1.00 0.00 C ATOM 0 H VAL A 44 0.856 -3.753 11.649 1.00 0.00 H new ATOM 0 HA VAL A 44 0.695 -4.212 14.530 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.721 -2.279 12.652 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.661 -1.248 14.679 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.224 -2.923 14.467 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.959 -2.553 15.664 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.569 -0.567 13.863 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.364 -1.845 14.814 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.630 -1.746 13.057 1.00 0.00 H new ATOM 624 N ILE A 45 -1.823 -4.758 12.433 1.00 0.00 N ATOM 625 CA ILE A 45 -3.027 -5.554 12.231 1.00 0.00 C ATOM 626 C ILE A 45 -2.699 -7.042 12.170 1.00 0.00 C ATOM 627 O ILE A 45 -3.186 -7.829 12.981 1.00 0.00 O ATOM 628 CB ILE A 45 -3.760 -5.148 10.939 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.951 -3.631 10.890 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.102 -5.859 10.846 1.00 0.00 C ATOM 631 CD1 ILE A 45 -5.004 -3.186 9.900 1.00 0.00 C ATOM 0 H ILE A 45 -1.612 -4.111 11.673 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.678 -5.363 13.084 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.152 -5.447 10.085 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.224 -3.275 11.883 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.001 -3.162 10.633 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.608 -5.562 9.928 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.943 -6.937 10.840 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.718 -5.588 11.704 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.085 -2.099 9.919 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.722 -3.511 8.898 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.964 -3.626 10.168 1.00 0.00 H new ATOM 643 N GLY A 46 -1.868 -7.420 11.204 1.00 0.00 N ATOM 644 CA GLY A 46 -1.487 -8.813 11.056 1.00 0.00 C ATOM 645 C GLY A 46 -1.878 -9.381 9.706 1.00 0.00 C ATOM 646 O GLY A 46 -1.810 -10.591 9.490 1.00 0.00 O ATOM 0 H GLY A 46 -1.452 -6.787 10.521 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.409 -8.908 11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.958 -9.401 11.844 1.00 0.00 H new ATOM 650 N VAL A 47 -2.290 -8.505 8.794 1.00 0.00 N ATOM 651 CA VAL A 47 -2.693 -8.926 7.458 1.00 0.00 C ATOM 652 C VAL A 47 -1.625 -8.579 6.427 1.00 0.00 C ATOM 653 O VAL A 47 -1.102 -7.466 6.388 1.00 0.00 O ATOM 654 CB VAL A 47 -4.024 -8.271 7.042 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.314 -8.539 5.573 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.161 -8.774 7.918 1.00 0.00 C ATOM 0 H VAL A 47 -2.353 -7.500 8.957 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.823 -10.008 7.492 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.938 -7.193 7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.258 -8.069 5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.511 -8.126 4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.381 -9.614 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.094 -8.301 7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.250 -9.855 7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.955 -8.527 8.959 1.00 0.00 H new ATOM 666 N PRO A 48 -1.292 -9.556 5.569 1.00 0.00 N ATOM 667 CA PRO A 48 -0.283 -9.378 4.521 1.00 0.00 C ATOM 668 C PRO A 48 -0.754 -8.436 3.418 1.00 0.00 C ATOM 669 O PRO A 48 -1.949 -8.339 3.140 1.00 0.00 O ATOM 670 CB PRO A 48 -0.092 -10.793 3.969 1.00 0.00 C ATOM 671 CG PRO A 48 -1.374 -11.492 4.266 1.00 0.00 C ATOM 672 CD PRO A 48 -1.874 -10.908 5.558 1.00 0.00 C ATOM 0 HA PRO A 48 0.632 -8.929 4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.111 -10.776 2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.751 -11.293 4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.096 -11.340 3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.220 -12.567 4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.963 -10.877 5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.546 -11.494 6.417 1.00 0.00 H new ATOM 680 N GLN A 49 0.193 -7.744 2.792 1.00 0.00 N ATOM 681 CA GLN A 49 -0.126 -6.810 1.720 1.00 0.00 C ATOM 682 C GLN A 49 -0.832 -7.521 0.570 1.00 0.00 C ATOM 683 O GLN A 49 -1.391 -6.880 -0.320 1.00 0.00 O ATOM 684 CB GLN A 49 1.147 -6.132 1.210 1.00 0.00 C ATOM 685 CG GLN A 49 1.892 -5.352 2.282 1.00 0.00 C ATOM 686 CD GLN A 49 3.023 -4.517 1.715 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.078 -4.259 0.513 1.00 0.00 O ATOM 688 NE2 GLN A 49 3.934 -4.089 2.582 1.00 0.00 N ATOM 0 H GLN A 49 1.187 -7.813 3.009 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.798 -6.052 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.812 -6.890 0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.887 -5.456 0.395 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.192 -4.701 2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.293 -6.047 3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.849 -4.327 3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.719 -3.523 2.259 1.00 0.00 H new ATOM 697 N SER A 50 -0.803 -8.850 0.596 1.00 0.00 N ATOM 698 CA SER A 50 -1.437 -9.649 -0.446 1.00 0.00 C ATOM 699 C SER A 50 -2.896 -9.931 -0.102 1.00 0.00 C ATOM 700 O SER A 50 -3.669 -10.384 -0.947 1.00 0.00 O ATOM 701 CB SER A 50 -0.683 -10.965 -0.640 1.00 0.00 C ATOM 702 OG SER A 50 -0.458 -11.611 0.602 1.00 0.00 O ATOM 0 H SER A 50 -0.347 -9.396 1.327 1.00 0.00 H new ATOM 0 HA SER A 50 -1.404 -9.080 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.254 -11.621 -1.297 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.271 -10.773 -1.132 1.00 0.00 H new ATOM 0 HG SER A 50 -1.111 -12.333 0.718 1.00 0.00 H new ATOM 708 N PHE A 51 -3.266 -9.661 1.145 1.00 0.00 N ATOM 709 CA PHE A 51 -4.632 -9.887 1.604 1.00 0.00 C ATOM 710 C PHE A 51 -5.320 -8.566 1.934 1.00 0.00 C ATOM 711 O PHE A 51 -6.544 -8.458 1.863 1.00 0.00 O ATOM 712 CB PHE A 51 -4.636 -10.799 2.833 1.00 0.00 C ATOM 713 CG PHE A 51 -4.344 -12.237 2.513 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.187 -12.589 1.838 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.228 -13.237 2.887 1.00 0.00 C ATOM 716 CE1 PHE A 51 -2.915 -13.912 1.543 1.00 0.00 C ATOM 717 CE2 PHE A 51 -4.961 -14.561 2.595 1.00 0.00 C ATOM 718 CZ PHE A 51 -3.804 -14.899 1.921 1.00 0.00 C ATOM 0 H PHE A 51 -2.639 -9.285 1.856 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.184 -10.372 0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.896 -10.437 3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.609 -10.734 3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.489 -11.821 1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.135 -12.979 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.008 -14.173 1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.657 -15.331 2.894 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.595 -15.933 1.690 1.00 0.00 H new ATOM 728 N GLN A 52 -4.524 -7.565 2.296 1.00 0.00 N ATOM 729 CA GLN A 52 -5.056 -6.252 2.639 1.00 0.00 C ATOM 730 C GLN A 52 -5.102 -5.346 1.413 1.00 0.00 C ATOM 731 O GLN A 52 -4.185 -5.349 0.591 1.00 0.00 O ATOM 732 CB GLN A 52 -4.208 -5.604 3.735 1.00 0.00 C ATOM 733 CG GLN A 52 -2.772 -5.336 3.314 1.00 0.00 C ATOM 734 CD GLN A 52 -2.178 -4.124 4.003 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.775 -3.047 4.014 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.996 -4.293 4.584 1.00 0.00 N ATOM 0 H GLN A 52 -3.509 -7.638 2.359 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.073 -6.386 3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.672 -4.664 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.206 -6.251 4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.162 -6.211 3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.735 -5.190 2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.537 -5.203 4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.547 -3.513 5.064 1.00 0.00 H new ATOM 745 N LYS A 53 -6.176 -4.572 1.295 1.00 0.00 N ATOM 746 CA LYS A 53 -6.342 -3.659 0.170 1.00 0.00 C ATOM 747 C LYS A 53 -6.662 -2.249 0.655 1.00 0.00 C ATOM 748 O LYS A 53 -7.707 -2.014 1.264 1.00 0.00 O ATOM 749 CB LYS A 53 -7.454 -4.156 -0.756 1.00 0.00 C ATOM 750 CG LYS A 53 -7.654 -3.289 -1.987 1.00 0.00 C ATOM 751 CD LYS A 53 -9.080 -3.375 -2.504 1.00 0.00 C ATOM 752 CE LYS A 53 -9.392 -4.760 -3.049 1.00 0.00 C ATOM 753 NZ LYS A 53 -10.401 -4.712 -4.143 1.00 0.00 N ATOM 0 H LYS A 53 -6.945 -4.559 1.965 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.403 -3.629 -0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.224 -5.174 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.389 -4.199 -0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.415 -2.253 -1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.963 -3.602 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.775 -3.134 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.230 -2.632 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.476 -5.219 -3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.761 -5.393 -2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.586 -5.676 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.284 -4.298 -3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.039 -4.129 -4.924 1.00 0.00 H new ATOM 767 N LEU A 54 -5.758 -1.315 0.382 1.00 0.00 N ATOM 768 CA LEU A 54 -5.946 0.073 0.790 1.00 0.00 C ATOM 769 C LEU A 54 -6.879 0.802 -0.172 1.00 0.00 C ATOM 770 O LEU A 54 -6.786 0.634 -1.388 1.00 0.00 O ATOM 771 CB LEU A 54 -4.597 0.793 0.854 1.00 0.00 C ATOM 772 CG LEU A 54 -3.887 0.767 2.208 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.808 1.282 3.304 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.406 -0.640 2.532 1.00 0.00 C ATOM 0 H LEU A 54 -4.888 -1.493 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.401 0.077 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.935 0.349 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.749 1.833 0.565 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.018 1.423 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.286 1.256 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.103 2.307 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.696 0.652 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.903 -0.639 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.259 -1.317 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.710 -0.973 1.762 1.00 0.00 H new ATOM 786 N ILE A 55 -7.774 1.613 0.381 1.00 0.00 N ATOM 787 CA ILE A 55 -8.721 2.370 -0.428 1.00 0.00 C ATOM 788 C ILE A 55 -8.972 3.751 0.168 1.00 0.00 C ATOM 789 O ILE A 55 -9.506 3.876 1.270 1.00 0.00 O ATOM 790 CB ILE A 55 -10.065 1.629 -0.563 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.838 0.202 -1.064 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.994 2.384 -1.501 1.00 0.00 C ATOM 793 CD1 ILE A 55 -11.042 -0.698 -0.894 1.00 0.00 C ATOM 0 H ILE A 55 -7.863 1.763 1.386 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.275 2.479 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.535 1.578 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.566 0.235 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.992 -0.232 -0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.939 1.848 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.178 3.383 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.532 2.463 -2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.808 -1.694 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.302 -0.762 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.884 -0.288 -1.451 1.00 0.00 H new ATOM 805 N PHE A 56 -8.585 4.786 -0.570 1.00 0.00 N ATOM 806 CA PHE A 56 -8.769 6.160 -0.115 1.00 0.00 C ATOM 807 C PHE A 56 -9.582 6.963 -1.126 1.00 0.00 C ATOM 808 O PHE A 56 -9.253 7.007 -2.312 1.00 0.00 O ATOM 809 CB PHE A 56 -7.412 6.830 0.112 1.00 0.00 C ATOM 810 CG PHE A 56 -7.461 7.966 1.093 1.00 0.00 C ATOM 811 CD1 PHE A 56 -7.862 7.751 2.402 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.106 9.248 0.707 1.00 0.00 C ATOM 813 CE1 PHE A 56 -7.909 8.795 3.307 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.151 10.296 1.608 1.00 0.00 C ATOM 815 CZ PHE A 56 -7.552 10.069 2.910 1.00 0.00 C ATOM 0 H PHE A 56 -8.142 4.700 -1.485 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.316 6.134 0.827 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.702 6.083 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.034 7.200 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.141 6.757 2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.790 9.431 -0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.225 8.615 4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.873 11.291 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.586 10.886 3.616 1.00 0.00 H new ATOM 825 N LYS A 57 -10.648 7.597 -0.648 1.00 0.00 N ATOM 826 CA LYS A 57 -11.510 8.400 -1.508 1.00 0.00 C ATOM 827 C LYS A 57 -12.050 7.568 -2.666 1.00 0.00 C ATOM 828 O LYS A 57 -12.010 7.993 -3.820 1.00 0.00 O ATOM 829 CB LYS A 57 -10.742 9.609 -2.049 1.00 0.00 C ATOM 830 CG LYS A 57 -10.843 10.839 -1.164 1.00 0.00 C ATOM 831 CD LYS A 57 -10.200 10.604 0.193 1.00 0.00 C ATOM 832 CE LYS A 57 -10.338 11.821 1.094 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.402 11.443 2.533 1.00 0.00 N ATOM 0 H LYS A 57 -10.936 7.570 0.330 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.352 8.750 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.692 9.340 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.119 9.854 -3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.359 11.683 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.891 11.107 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.663 9.741 0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.145 10.366 0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.493 12.490 0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.238 12.373 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.547 12.296 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.193 10.784 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.511 10.984 2.811 1.00 0.00 H new ATOM 847 N GLY A 58 -12.557 6.380 -2.350 1.00 0.00 N ATOM 848 CA GLY A 58 -13.100 5.508 -3.375 1.00 0.00 C ATOM 849 C GLY A 58 -12.067 5.125 -4.416 1.00 0.00 C ATOM 850 O GLY A 58 -12.392 4.958 -5.592 1.00 0.00 O ATOM 0 H GLY A 58 -12.601 6.006 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.494 4.605 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.938 6.005 -3.864 1.00 0.00 H new ATOM 854 N LYS A 59 -10.818 4.985 -3.985 1.00 0.00 N ATOM 855 CA LYS A 59 -9.733 4.619 -4.887 1.00 0.00 C ATOM 856 C LYS A 59 -8.765 3.653 -4.211 1.00 0.00 C ATOM 857 O LYS A 59 -8.210 3.954 -3.154 1.00 0.00 O ATOM 858 CB LYS A 59 -8.982 5.871 -5.348 1.00 0.00 C ATOM 859 CG LYS A 59 -9.739 6.688 -6.380 1.00 0.00 C ATOM 860 CD LYS A 59 -8.792 7.424 -7.313 1.00 0.00 C ATOM 861 CE LYS A 59 -8.373 6.550 -8.485 1.00 0.00 C ATOM 862 NZ LYS A 59 -7.287 5.603 -8.110 1.00 0.00 N ATOM 0 H LYS A 59 -10.532 5.120 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.167 4.122 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.773 6.499 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.020 5.574 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.387 6.032 -6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.384 7.406 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.276 8.327 -7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.908 7.741 -6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.235 5.989 -8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.036 7.182 -9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.747 5.341 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.653 6.057 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.702 4.749 -7.686 1.00 0.00 H new ATOM 876 N SER A 60 -8.567 2.493 -4.828 1.00 0.00 N ATOM 877 CA SER A 60 -7.668 1.482 -4.283 1.00 0.00 C ATOM 878 C SER A 60 -6.212 1.917 -4.425 1.00 0.00 C ATOM 879 O SER A 60 -5.724 2.142 -5.533 1.00 0.00 O ATOM 880 CB SER A 60 -7.883 0.143 -4.992 1.00 0.00 C ATOM 881 OG SER A 60 -9.261 -0.097 -5.220 1.00 0.00 O ATOM 0 H SER A 60 -9.016 2.230 -5.705 1.00 0.00 H new ATOM 0 HA SER A 60 -7.893 1.364 -3.223 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.348 0.141 -5.942 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.465 -0.663 -4.389 1.00 0.00 H new ATOM 0 HG SER A 60 -9.372 -0.958 -5.676 1.00 0.00 H new ATOM 887 N LEU A 61 -5.524 2.033 -3.295 1.00 0.00 N ATOM 888 CA LEU A 61 -4.124 2.441 -3.290 1.00 0.00 C ATOM 889 C LEU A 61 -3.215 1.273 -3.657 1.00 0.00 C ATOM 890 O LEU A 61 -3.030 0.344 -2.870 1.00 0.00 O ATOM 891 CB LEU A 61 -3.736 2.991 -1.917 1.00 0.00 C ATOM 892 CG LEU A 61 -4.763 3.904 -1.245 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.285 4.320 0.137 1.00 0.00 C ATOM 894 CD2 LEU A 61 -5.035 5.127 -2.108 1.00 0.00 C ATOM 0 H LEU A 61 -5.913 1.850 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.998 3.225 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.538 2.149 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.801 3.542 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.694 3.349 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.029 4.969 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.143 3.433 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.340 4.856 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.768 5.765 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.109 5.683 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.423 4.810 -3.076 1.00 0.00 H new ATOM 906 N LYS A 62 -2.648 1.325 -4.858 1.00 0.00 N ATOM 907 CA LYS A 62 -1.755 0.273 -5.330 1.00 0.00 C ATOM 908 C LYS A 62 -0.362 0.827 -5.610 1.00 0.00 C ATOM 909 O LYS A 62 0.354 0.322 -6.474 1.00 0.00 O ATOM 910 CB LYS A 62 -2.321 -0.376 -6.595 1.00 0.00 C ATOM 911 CG LYS A 62 -2.386 0.566 -7.785 1.00 0.00 C ATOM 912 CD LYS A 62 -3.722 1.285 -7.855 1.00 0.00 C ATOM 913 CE LYS A 62 -4.820 0.371 -8.378 1.00 0.00 C ATOM 914 NZ LYS A 62 -6.102 1.102 -8.577 1.00 0.00 N ATOM 0 H LYS A 62 -2.791 2.085 -5.523 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.677 -0.481 -4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.707 -1.237 -6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.322 -0.751 -6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.581 1.298 -7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.226 0.003 -8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.992 1.650 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.634 2.157 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.504 -0.072 -9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.975 -0.449 -7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.861 0.422 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.339 1.630 -7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.003 1.766 -9.372 1.00 0.00 H new ATOM 928 N GLU A 63 0.016 1.867 -4.872 1.00 0.00 N ATOM 929 CA GLU A 63 1.325 2.488 -5.042 1.00 0.00 C ATOM 930 C GLU A 63 2.030 2.646 -3.699 1.00 0.00 C ATOM 931 O GLU A 63 1.493 3.250 -2.771 1.00 0.00 O ATOM 932 CB GLU A 63 1.182 3.853 -5.720 1.00 0.00 C ATOM 933 CG GLU A 63 0.493 3.791 -7.073 1.00 0.00 C ATOM 934 CD GLU A 63 0.412 5.147 -7.748 1.00 0.00 C ATOM 935 OE1 GLU A 63 -0.502 5.926 -7.407 1.00 0.00 O ATOM 936 OE2 GLU A 63 1.264 5.427 -8.618 1.00 0.00 O ATOM 0 H GLU A 63 -0.565 2.296 -4.152 1.00 0.00 H new ATOM 0 HA GLU A 63 1.929 1.837 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.619 4.518 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.172 4.293 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.032 3.099 -7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.513 3.391 -6.946 1.00 0.00 H new ATOM 943 N MET A 64 3.237 2.099 -3.603 1.00 0.00 N ATOM 944 CA MET A 64 4.017 2.180 -2.373 1.00 0.00 C ATOM 945 C MET A 64 5.048 3.301 -2.456 1.00 0.00 C ATOM 946 O MET A 64 5.293 4.004 -1.476 1.00 0.00 O ATOM 947 CB MET A 64 4.717 0.847 -2.100 1.00 0.00 C ATOM 948 CG MET A 64 3.796 -0.357 -2.206 1.00 0.00 C ATOM 949 SD MET A 64 2.718 -0.536 -0.771 1.00 0.00 S ATOM 950 CE MET A 64 1.107 -0.369 -1.535 1.00 0.00 C ATOM 0 H MET A 64 3.696 1.595 -4.362 1.00 0.00 H new ATOM 0 HA MET A 64 3.334 2.399 -1.552 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.540 0.727 -2.805 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.153 0.873 -1.102 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.186 -0.265 -3.105 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.396 -1.260 -2.319 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.340 -0.333 -0.762 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.076 0.550 -2.121 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.924 -1.222 -2.188 1.00 0.00 H new ATOM 960 N GLU A 65 5.649 3.462 -3.631 1.00 0.00 N ATOM 961 CA GLU A 65 6.653 4.498 -3.839 1.00 0.00 C ATOM 962 C GLU A 65 6.007 5.879 -3.896 1.00 0.00 C ATOM 963 O GLU A 65 6.690 6.891 -4.060 1.00 0.00 O ATOM 964 CB GLU A 65 7.431 4.233 -5.130 1.00 0.00 C ATOM 965 CG GLU A 65 8.132 2.885 -5.153 1.00 0.00 C ATOM 966 CD GLU A 65 8.843 2.619 -6.466 1.00 0.00 C ATOM 967 OE1 GLU A 65 8.392 3.148 -7.503 1.00 0.00 O ATOM 968 OE2 GLU A 65 9.851 1.882 -6.455 1.00 0.00 O ATOM 0 H GLU A 65 5.458 2.888 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 65 7.343 4.474 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.746 4.291 -5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.172 5.021 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.854 2.841 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.401 2.097 -4.974 1.00 0.00 H new ATOM 975 N THR A 66 4.685 5.913 -3.760 1.00 0.00 N ATOM 976 CA THR A 66 3.946 7.169 -3.798 1.00 0.00 C ATOM 977 C THR A 66 3.829 7.780 -2.406 1.00 0.00 C ATOM 978 O THR A 66 3.447 7.118 -1.441 1.00 0.00 O ATOM 979 CB THR A 66 2.533 6.971 -4.379 1.00 0.00 C ATOM 980 OG1 THR A 66 2.620 6.508 -5.731 1.00 0.00 O ATOM 981 CG2 THR A 66 1.742 8.270 -4.332 1.00 0.00 C ATOM 0 H THR A 66 4.104 5.086 -3.623 1.00 0.00 H new ATOM 0 HA THR A 66 4.505 7.846 -4.444 1.00 0.00 H new ATOM 0 HB THR A 66 2.016 6.227 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.933 6.949 -6.273 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.748 8.106 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.653 8.604 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.258 9.032 -4.916 1.00 0.00 H new ATOM 989 N PRO A 67 4.166 9.074 -2.297 1.00 0.00 N ATOM 990 CA PRO A 67 4.106 9.803 -1.027 1.00 0.00 C ATOM 991 C PRO A 67 2.673 10.035 -0.559 1.00 0.00 C ATOM 992 O PRO A 67 1.830 10.511 -1.320 1.00 0.00 O ATOM 993 CB PRO A 67 4.785 11.136 -1.351 1.00 0.00 C ATOM 994 CG PRO A 67 4.599 11.309 -2.819 1.00 0.00 C ATOM 995 CD PRO A 67 4.630 9.925 -3.406 1.00 0.00 C ATOM 0 HA PRO A 67 4.584 9.251 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.332 11.957 -0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.842 11.117 -1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.653 11.804 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.389 11.930 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.978 9.843 -4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.633 9.649 -3.732 1.00 0.00 H new ATOM 1003 N LEU A 68 2.405 9.697 0.697 1.00 0.00 N ATOM 1004 CA LEU A 68 1.073 9.869 1.268 1.00 0.00 C ATOM 1005 C LEU A 68 0.488 11.225 0.887 1.00 0.00 C ATOM 1006 O LEU A 68 -0.730 11.394 0.832 1.00 0.00 O ATOM 1007 CB LEU A 68 1.128 9.734 2.791 1.00 0.00 C ATOM 1008 CG LEU A 68 1.581 8.376 3.329 1.00 0.00 C ATOM 1009 CD1 LEU A 68 2.166 8.523 4.724 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.420 7.392 3.336 1.00 0.00 C ATOM 0 H LEU A 68 3.092 9.302 1.340 1.00 0.00 H new ATOM 0 HA LEU A 68 0.428 9.089 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.801 10.499 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.137 9.948 3.191 1.00 0.00 H new ATOM 0 HG LEU A 68 2.358 7.986 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.483 7.547 5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.025 9.194 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.411 8.934 5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.760 6.431 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.378 7.776 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.046 7.263 2.320 1.00 0.00 H new ATOM 1022 N SER A 69 1.365 12.188 0.622 1.00 0.00 N ATOM 1023 CA SER A 69 0.936 13.531 0.247 1.00 0.00 C ATOM 1024 C SER A 69 0.250 13.521 -1.116 1.00 0.00 C ATOM 1025 O SER A 69 -0.756 14.199 -1.321 1.00 0.00 O ATOM 1026 CB SER A 69 2.133 14.483 0.222 1.00 0.00 C ATOM 1027 OG SER A 69 2.306 15.118 1.477 1.00 0.00 O ATOM 0 H SER A 69 2.377 12.064 0.660 1.00 0.00 H new ATOM 0 HA SER A 69 0.220 13.879 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.036 13.930 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.987 15.236 -0.553 1.00 0.00 H new ATOM 0 HG SER A 69 3.078 15.720 1.435 1.00 0.00 H new ATOM 1033 N ALA A 70 0.803 12.746 -2.043 1.00 0.00 N ATOM 1034 CA ALA A 70 0.244 12.646 -3.386 1.00 0.00 C ATOM 1035 C ALA A 70 -1.224 12.238 -3.341 1.00 0.00 C ATOM 1036 O ALA A 70 -2.072 12.862 -3.981 1.00 0.00 O ATOM 1037 CB ALA A 70 1.044 11.653 -4.217 1.00 0.00 C ATOM 0 H ALA A 70 1.637 12.179 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 70 0.306 13.629 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.616 11.588 -5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.079 11.987 -4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.010 10.672 -3.743 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.519 11.189 -2.582 1.00 0.00 N ATOM 1044 CA LEU A 71 -2.887 10.697 -2.454 1.00 0.00 C ATOM 1045 C LEU A 71 -3.751 11.688 -1.681 1.00 0.00 C ATOM 1046 O LEU A 71 -4.978 11.666 -1.778 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.898 9.338 -1.752 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.862 8.323 -2.238 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.454 7.393 -1.107 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.408 7.527 -3.415 1.00 0.00 C ATOM 0 H LEU A 71 -0.830 10.662 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.302 10.585 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.745 9.501 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.889 8.900 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.977 8.866 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.717 6.678 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.022 7.977 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.330 6.857 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.658 6.810 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.308 6.995 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.649 8.206 -4.233 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.103 12.560 -0.914 1.00 0.00 N ATOM 1063 CA GLY A 72 -3.828 13.548 -0.138 1.00 0.00 C ATOM 1064 C GLY A 72 -4.006 13.132 1.309 1.00 0.00 C ATOM 1065 O GLY A 72 -4.615 13.854 2.098 1.00 0.00 O ATOM 0 H GLY A 72 -2.088 12.599 -0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.295 14.498 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.807 13.713 -0.589 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.475 11.965 1.657 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.580 11.454 3.018 1.00 0.00 C ATOM 1071 C ILE A 73 -2.646 12.205 3.960 1.00 0.00 C ATOM 1072 O ILE A 73 -1.521 12.545 3.594 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.254 9.950 3.081 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.306 9.145 2.315 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.174 9.486 4.528 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.813 7.792 1.853 1.00 0.00 C ATOM 0 H ILE A 73 -2.968 11.356 1.015 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.612 11.607 3.334 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.284 9.783 2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.180 9.006 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.631 9.720 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.943 8.421 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.391 10.041 5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.130 9.663 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.611 7.277 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.957 7.923 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.515 7.199 2.717 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.120 12.459 5.176 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.326 13.169 6.171 1.00 0.00 C ATOM 1090 C GLN A 74 -2.663 12.690 7.579 1.00 0.00 C ATOM 1091 O GLN A 74 -3.589 11.903 7.773 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.563 14.677 6.063 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.697 15.355 5.013 1.00 0.00 C ATOM 1094 CD GLN A 74 -2.239 16.706 4.593 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -3.225 17.192 5.148 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -1.596 17.323 3.608 1.00 0.00 N ATOM 0 H GLN A 74 -4.049 12.184 5.495 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.274 12.959 5.977 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.612 14.856 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.371 15.137 7.032 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.688 15.479 5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.622 14.710 4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.783 16.884 3.176 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.915 18.236 3.284 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.905 13.169 8.559 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.124 12.790 9.951 1.00 0.00 C ATOM 1107 C ASP A 75 -3.473 13.301 10.447 1.00 0.00 C ATOM 1108 O ASP A 75 -3.691 14.507 10.553 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.001 13.338 10.833 1.00 0.00 C ATOM 1110 CG ASP A 75 -0.665 14.781 10.514 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.190 15.046 9.390 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -0.879 15.647 11.388 1.00 0.00 O ATOM 0 H ASP A 75 -1.133 13.820 8.416 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.124 11.702 10.011 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.294 13.259 11.880 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.110 12.724 10.705 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.376 12.373 10.750 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.693 12.749 11.230 1.00 0.00 C ATOM 1119 C GLY A 76 -6.798 12.332 10.279 1.00 0.00 C ATOM 1120 O GLY A 76 -7.914 12.849 10.349 1.00 0.00 O ATOM 0 H GLY A 76 -4.219 11.368 10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.865 12.292 12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.729 13.829 11.373 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.488 11.397 9.389 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.463 10.912 8.418 1.00 0.00 C ATOM 1126 C CYS A 77 -7.839 9.462 8.703 1.00 0.00 C ATOM 1127 O CYS A 77 -7.269 8.824 9.588 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.906 11.038 6.999 1.00 0.00 C ATOM 1129 SG CYS A 77 -5.930 9.615 6.460 1.00 0.00 S ATOM 0 H CYS A 77 -5.569 10.959 9.319 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.361 11.524 8.504 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.735 11.180 6.306 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.286 11.933 6.942 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.430 9.138 5.359 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.805 8.947 7.948 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.260 7.573 8.122 1.00 0.00 C ATOM 1137 C ARG A 78 -9.284 6.836 6.786 1.00 0.00 C ATOM 1138 O ARG A 78 -10.037 7.194 5.880 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.653 7.551 8.754 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.631 7.510 10.273 1.00 0.00 C ATOM 1141 CD ARG A 78 -11.941 8.010 10.862 1.00 0.00 C ATOM 1142 NE ARG A 78 -11.919 8.012 12.323 1.00 0.00 N ATOM 1143 CZ ARG A 78 -12.893 8.516 13.072 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -13.962 9.055 12.501 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -12.801 8.481 14.395 1.00 0.00 N ATOM 0 H ARG A 78 -9.287 9.461 7.210 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.560 7.065 8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.204 8.434 8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.197 6.683 8.383 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.446 6.489 10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.808 8.121 10.643 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.139 9.019 10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.759 7.380 10.513 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.111 7.604 12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.037 9.083 11.484 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.709 9.441 13.079 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.981 8.067 14.838 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.550 8.869 14.969 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.454 5.804 6.671 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.380 5.015 5.447 1.00 0.00 C ATOM 1161 C VAL A 79 -9.155 3.709 5.586 1.00 0.00 C ATOM 1162 O VAL A 79 -9.274 3.161 6.682 1.00 0.00 O ATOM 1163 CB VAL A 79 -6.921 4.696 5.072 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.866 3.851 3.808 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.123 5.980 4.899 1.00 0.00 C ATOM 0 H VAL A 79 -7.823 5.495 7.411 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.827 5.617 4.656 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.473 4.122 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.827 3.636 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.401 2.916 3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.331 4.395 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.094 5.736 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.569 6.581 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.134 6.543 5.832 1.00 0.00 H new ATOM 1175 N MET A 80 -9.678 3.216 4.469 1.00 0.00 N ATOM 1176 CA MET A 80 -10.440 1.972 4.467 1.00 0.00 C ATOM 1177 C MET A 80 -9.575 0.806 4.000 1.00 0.00 C ATOM 1178 O MET A 80 -8.876 0.903 2.990 1.00 0.00 O ATOM 1179 CB MET A 80 -11.669 2.104 3.566 1.00 0.00 C ATOM 1180 CG MET A 80 -12.405 0.792 3.347 1.00 0.00 C ATOM 1181 SD MET A 80 -14.097 1.033 2.771 1.00 0.00 S ATOM 1182 CE MET A 80 -14.744 -0.631 2.917 1.00 0.00 C ATOM 0 H MET A 80 -9.589 3.658 3.554 1.00 0.00 H new ATOM 0 HA MET A 80 -10.767 1.773 5.488 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.356 2.827 4.005 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.360 2.504 2.600 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.860 0.191 2.619 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.420 0.228 4.280 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.489 -0.801 2.140 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.931 -1.349 2.804 1.00 0.00 H new ATOM 0 HE3 MET A 80 -15.206 -0.757 3.896 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.626 -0.297 4.740 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.847 -1.482 4.401 1.00 0.00 C ATOM 1194 C LEU A 81 -9.748 -2.705 4.263 1.00 0.00 C ATOM 1195 O LEU A 81 -10.658 -2.912 5.068 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.781 -1.738 5.467 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.775 -2.847 5.158 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.998 -2.525 3.891 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.826 -3.048 6.331 1.00 0.00 C ATOM 0 H LEU A 81 -10.199 -0.395 5.578 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.359 -1.303 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.231 -0.812 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.283 -1.981 6.403 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.324 -3.775 4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.287 -3.325 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.690 -2.432 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.460 -1.586 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.117 -3.841 6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.284 -2.122 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.397 -3.325 7.217 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.489 -3.513 3.241 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.275 -4.717 3.001 1.00 0.00 C ATOM 1213 C ILE A 82 -9.378 -5.947 2.896 1.00 0.00 C ATOM 1214 O ILE A 82 -8.478 -6.002 2.059 1.00 0.00 O ATOM 1215 CB ILE A 82 -11.113 -4.595 1.715 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -12.076 -3.410 1.818 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.877 -5.885 1.457 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.945 -3.230 0.594 1.00 0.00 C ATOM 0 H ILE A 82 -8.741 -3.356 2.566 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.946 -4.831 3.852 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.440 -4.420 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.715 -3.546 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.501 -2.499 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.465 -5.784 0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -11.172 -6.709 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.542 -6.088 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.602 -2.372 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.314 -3.062 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.546 -4.126 0.440 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.633 -6.933 3.750 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.842 -8.150 3.736 1.00 0.00 C ATOM 1232 C GLY A 83 -9.409 -9.221 4.646 1.00 0.00 C ATOM 1233 O GLY A 83 -10.285 -8.949 5.468 1.00 0.00 O ATOM 0 H GLY A 83 -10.373 -6.911 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.790 -8.534 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.822 -7.920 4.043 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.910 -10.444 4.500 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.372 -11.561 5.316 1.00 0.00 C ATOM 1239 C LYS A 84 -8.396 -11.844 6.453 1.00 0.00 C ATOM 1240 O LYS A 84 -7.261 -12.261 6.223 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.542 -12.813 4.452 1.00 0.00 C ATOM 1242 CG LYS A 84 -10.816 -12.813 3.625 1.00 0.00 C ATOM 1243 CD LYS A 84 -11.216 -14.221 3.218 1.00 0.00 C ATOM 1244 CE LYS A 84 -10.257 -14.796 2.186 1.00 0.00 C ATOM 1245 NZ LYS A 84 -10.538 -14.278 0.819 1.00 0.00 N ATOM 0 H LYS A 84 -8.186 -10.687 3.824 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.336 -11.290 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.685 -12.902 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.537 -13.692 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.623 -12.356 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.672 -12.202 2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.234 -14.864 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.227 -14.210 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.233 -14.549 2.465 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.333 -15.883 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.864 -14.693 0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.507 -14.536 0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.440 -13.243 0.813 1.00 0.00 H new