USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 687 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 46 ASN : amide:sc= -3.38! C(o=-11!,f=-11!) USER MOD Set 1.2: A 47 ASN : amide:sc= -7.19! C(o=-11!,f=-13!) USER MOD Set 2.1: A 40 MET CE :methyl -111:sc= -3.43 (180deg=-7.29!) USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= -0.855 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0915 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -1.38! C(o=-2!,f=-1.4!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.538 K(o=-0.54,f=-3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.48) USER MOD Single : A 35 CYS SG : rot 180:sc= 0.0824 USER MOD Single : A 36 GLN : amide:sc= -0.0613 X(o=-0.061,f=-0.078) USER MOD Single : A 43 TYR OH : rot -100:sc= 0.375 USER MOD Single : A 52 SER OG : rot 180:sc= -0.231 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00461) USER MOD Single : A 57 GLN : amide:sc= 0.0158 K(o=0.016,f=-2.7!) USER MOD Single : A 60 ASN : amide:sc= -2.48 X(o=-2.5,f=-2.1) USER MOD Single : A 62 MET CE :methyl 139:sc= -0.221 (180deg=-3.54!) USER MOD Single : A 63 ASN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.977 K(o=-0.98,f=-4.2!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 174:sc= 0.767 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -94:sc= 1.22 USER MOD Single : A 90 THR OG1 : rot 70:sc= 0.334 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 40:sc= 0.704 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.685 19.178 -13.909 1.00 0.00 N ATOM 2 CA GLY A 1 -22.717 19.215 -14.990 1.00 0.00 C ATOM 3 C GLY A 1 -21.726 18.069 -14.920 1.00 0.00 C ATOM 4 O GLY A 1 -21.867 17.167 -14.094 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.647 19.219 -14.303 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.569 18.296 -13.369 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.533 19.992 -13.279 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.242 19.180 -15.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.177 20.161 -14.958 1.00 0.00 H new ATOM 8 N SER A 2 -20.722 18.103 -15.790 1.00 0.00 N ATOM 9 CA SER A 2 -19.707 17.057 -15.828 1.00 0.00 C ATOM 10 C SER A 2 -18.366 17.583 -15.326 1.00 0.00 C ATOM 11 O SER A 2 -17.633 18.247 -16.060 1.00 0.00 O ATOM 12 CB SER A 2 -19.556 16.515 -17.250 1.00 0.00 C ATOM 13 OG SER A 2 -20.810 16.134 -17.788 1.00 0.00 O ATOM 0 H SER A 2 -20.590 18.844 -16.478 1.00 0.00 H new ATOM 0 HA SER A 2 -20.029 16.249 -15.172 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.100 17.275 -17.885 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.883 15.657 -17.246 1.00 0.00 H new ATOM 0 HG SER A 2 -20.685 15.793 -18.698 1.00 0.00 H new ATOM 19 N SER A 3 -18.051 17.281 -14.071 1.00 0.00 N ATOM 20 CA SER A 3 -16.800 17.726 -13.468 1.00 0.00 C ATOM 21 C SER A 3 -15.694 16.700 -13.692 1.00 0.00 C ATOM 22 O SER A 3 -15.579 15.724 -12.952 1.00 0.00 O ATOM 23 CB SER A 3 -16.990 17.971 -11.970 1.00 0.00 C ATOM 24 OG SER A 3 -17.866 19.059 -11.737 1.00 0.00 O ATOM 0 H SER A 3 -18.645 16.730 -13.451 1.00 0.00 H new ATOM 0 HA SER A 3 -16.506 18.660 -13.947 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.389 17.072 -11.499 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.024 18.172 -11.506 1.00 0.00 H new ATOM 0 HG SER A 3 -17.972 19.193 -10.772 1.00 0.00 H new ATOM 30 N GLY A 4 -14.882 16.928 -14.719 1.00 0.00 N ATOM 31 CA GLY A 4 -13.795 16.015 -15.024 1.00 0.00 C ATOM 32 C GLY A 4 -14.245 14.568 -15.054 1.00 0.00 C ATOM 33 O GLY A 4 -15.442 14.284 -15.080 1.00 0.00 O ATOM 0 H GLY A 4 -14.957 17.729 -15.346 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.364 16.278 -15.990 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.007 16.132 -14.280 1.00 0.00 H new ATOM 37 N SER A 5 -13.283 13.651 -15.051 1.00 0.00 N ATOM 38 CA SER A 5 -13.587 12.225 -15.084 1.00 0.00 C ATOM 39 C SER A 5 -13.405 11.599 -13.705 1.00 0.00 C ATOM 40 O SER A 5 -12.461 11.922 -12.984 1.00 0.00 O ATOM 41 CB SER A 5 -12.691 11.515 -16.101 1.00 0.00 C ATOM 42 OG SER A 5 -11.324 11.803 -15.865 1.00 0.00 O ATOM 0 H SER A 5 -12.287 13.870 -15.026 1.00 0.00 H new ATOM 0 HA SER A 5 -14.629 12.107 -15.383 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.854 10.439 -16.045 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.963 11.827 -17.110 1.00 0.00 H new ATOM 0 HG SER A 5 -10.772 11.336 -16.527 1.00 0.00 H new ATOM 48 N SER A 6 -14.317 10.701 -13.345 1.00 0.00 N ATOM 49 CA SER A 6 -14.261 10.032 -12.051 1.00 0.00 C ATOM 50 C SER A 6 -12.838 9.580 -11.734 1.00 0.00 C ATOM 51 O SER A 6 -12.108 9.126 -12.614 1.00 0.00 O ATOM 52 CB SER A 6 -15.206 8.829 -12.034 1.00 0.00 C ATOM 53 OG SER A 6 -14.676 7.753 -12.790 1.00 0.00 O ATOM 0 H SER A 6 -15.103 10.420 -13.931 1.00 0.00 H new ATOM 0 HA SER A 6 -14.576 10.744 -11.288 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.372 8.508 -11.006 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.176 9.119 -12.438 1.00 0.00 H new ATOM 0 HG SER A 6 -15.298 6.996 -12.762 1.00 0.00 H new ATOM 59 N GLY A 7 -12.452 9.709 -10.468 1.00 0.00 N ATOM 60 CA GLY A 7 -11.118 9.310 -10.056 1.00 0.00 C ATOM 61 C GLY A 7 -10.120 10.447 -10.145 1.00 0.00 C ATOM 62 O GLY A 7 -9.742 10.864 -11.239 1.00 0.00 O ATOM 0 H GLY A 7 -13.038 10.082 -9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.153 8.941 -9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.780 8.484 -10.681 1.00 0.00 H new ATOM 66 N GLN A 8 -9.694 10.950 -8.991 1.00 0.00 N ATOM 67 CA GLN A 8 -8.735 12.048 -8.944 1.00 0.00 C ATOM 68 C GLN A 8 -7.304 11.521 -8.964 1.00 0.00 C ATOM 69 O GLN A 8 -6.995 10.505 -8.341 1.00 0.00 O ATOM 70 CB GLN A 8 -8.961 12.897 -7.692 1.00 0.00 C ATOM 71 CG GLN A 8 -8.536 12.209 -6.405 1.00 0.00 C ATOM 72 CD GLN A 8 -9.550 11.189 -5.927 1.00 0.00 C ATOM 73 OE1 GLN A 8 -9.247 9.912 -6.131 1.00 0.00 O flip ATOM 74 NE2 GLN A 8 -10.595 11.543 -5.381 1.00 0.00 N flip ATOM 0 H GLN A 8 -9.997 10.615 -8.077 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.887 12.668 -9.827 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.410 13.832 -7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.018 13.155 -7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.576 11.716 -6.561 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.387 12.959 -5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.788 12.535 -5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.268 10.844 -5.066 1.00 0.00 H new ATOM 83 N LYS A 9 -6.432 12.219 -9.684 1.00 0.00 N ATOM 84 CA LYS A 9 -5.032 11.823 -9.786 1.00 0.00 C ATOM 85 C LYS A 9 -4.318 12.004 -8.450 1.00 0.00 C ATOM 86 O LYS A 9 -4.077 13.128 -8.011 1.00 0.00 O ATOM 87 CB LYS A 9 -4.326 12.643 -10.869 1.00 0.00 C ATOM 88 CG LYS A 9 -2.851 12.314 -11.016 1.00 0.00 C ATOM 89 CD LYS A 9 -2.092 13.445 -11.688 1.00 0.00 C ATOM 90 CE LYS A 9 -0.641 13.068 -11.944 1.00 0.00 C ATOM 91 NZ LYS A 9 0.246 14.264 -11.975 1.00 0.00 N ATOM 0 H LYS A 9 -6.670 13.062 -10.206 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.997 10.768 -10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.824 12.474 -11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.432 13.703 -10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.421 12.119 -10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.737 11.401 -11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.575 13.698 -12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.132 14.335 -11.060 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.301 12.384 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.566 12.536 -12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.226 13.965 -12.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.062 14.905 -12.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.194 14.758 -11.061 1.00 0.00 H new ATOM 105 N GLY A 10 -3.980 10.889 -7.809 1.00 0.00 N ATOM 106 CA GLY A 10 -3.295 10.947 -6.531 1.00 0.00 C ATOM 107 C GLY A 10 -4.182 11.475 -5.421 1.00 0.00 C ATOM 108 O GLY A 10 -4.000 12.600 -4.954 1.00 0.00 O ATOM 0 H GLY A 10 -4.168 9.947 -8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.941 9.951 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.415 11.584 -6.623 1.00 0.00 H new ATOM 112 N TRP A 11 -5.145 10.664 -4.999 1.00 0.00 N ATOM 113 CA TRP A 11 -6.065 11.057 -3.938 1.00 0.00 C ATOM 114 C TRP A 11 -5.304 11.474 -2.685 1.00 0.00 C ATOM 115 O TRP A 11 -4.075 11.539 -2.686 1.00 0.00 O ATOM 116 CB TRP A 11 -7.021 9.908 -3.612 1.00 0.00 C ATOM 117 CG TRP A 11 -6.507 8.995 -2.541 1.00 0.00 C ATOM 118 CD1 TRP A 11 -6.889 8.973 -1.230 1.00 0.00 C ATOM 119 CD2 TRP A 11 -5.517 7.971 -2.689 1.00 0.00 C ATOM 120 NE1 TRP A 11 -6.195 7.999 -0.554 1.00 0.00 N ATOM 121 CE2 TRP A 11 -5.348 7.369 -1.427 1.00 0.00 C ATOM 122 CE3 TRP A 11 -4.758 7.504 -3.766 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -4.451 6.326 -1.215 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -3.868 6.469 -3.553 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.721 5.888 -2.286 1.00 0.00 C ATOM 0 H TRP A 11 -5.309 9.730 -5.375 1.00 0.00 H new ATOM 0 HA TRP A 11 -6.643 11.911 -4.290 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.980 10.320 -3.299 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.203 9.329 -4.517 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.628 9.626 -0.789 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.294 7.780 0.437 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.865 7.944 -4.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.335 5.878 -0.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.275 6.101 -4.377 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.018 5.079 -2.153 1.00 0.00 H new ATOM 136 N PHE A 12 -6.042 11.754 -1.615 1.00 0.00 N ATOM 137 CA PHE A 12 -5.436 12.165 -0.354 1.00 0.00 C ATOM 138 C PHE A 12 -5.930 11.293 0.796 1.00 0.00 C ATOM 139 O PHE A 12 -7.108 10.946 0.885 1.00 0.00 O ATOM 140 CB PHE A 12 -5.752 13.634 -0.067 1.00 0.00 C ATOM 141 CG PHE A 12 -7.085 13.843 0.594 1.00 0.00 C ATOM 142 CD1 PHE A 12 -8.260 13.705 -0.128 1.00 0.00 C ATOM 143 CD2 PHE A 12 -7.162 14.176 1.936 1.00 0.00 C ATOM 144 CE1 PHE A 12 -9.487 13.897 0.478 1.00 0.00 C ATOM 145 CE2 PHE A 12 -8.387 14.369 2.548 1.00 0.00 C ATOM 146 CZ PHE A 12 -9.551 14.228 1.818 1.00 0.00 C ATOM 0 H PHE A 12 -7.061 11.704 -1.597 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.356 12.043 -0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.971 14.048 0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.728 14.192 -1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.216 13.445 -1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.255 14.286 2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.396 13.788 -0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.433 14.630 3.595 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.509 14.376 2.294 1.00 0.00 H new ATOM 156 N PRO A 13 -5.008 10.928 1.699 1.00 0.00 N ATOM 157 CA PRO A 13 -5.324 10.091 2.861 1.00 0.00 C ATOM 158 C PRO A 13 -6.181 10.825 3.887 1.00 0.00 C ATOM 159 O PRO A 13 -6.551 11.982 3.688 1.00 0.00 O ATOM 160 CB PRO A 13 -3.949 9.765 3.448 1.00 0.00 C ATOM 161 CG PRO A 13 -3.073 10.885 3.007 1.00 0.00 C ATOM 162 CD PRO A 13 -3.585 11.304 1.656 1.00 0.00 C ATOM 0 HA PRO A 13 -5.904 9.210 2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.989 9.698 4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.580 8.807 3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.113 11.714 3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.032 10.567 2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.457 12.374 1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.058 10.793 0.850 1.00 0.00 H new ATOM 170 N ALA A 14 -6.493 10.145 4.985 1.00 0.00 N ATOM 171 CA ALA A 14 -7.305 10.733 6.043 1.00 0.00 C ATOM 172 C ALA A 14 -6.535 11.821 6.785 1.00 0.00 C ATOM 173 O ALA A 14 -5.696 11.529 7.637 1.00 0.00 O ATOM 174 CB ALA A 14 -7.768 9.657 7.014 1.00 0.00 C ATOM 0 H ALA A 14 -6.196 9.186 5.165 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.180 11.192 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.373 10.111 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.363 8.916 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.900 9.172 7.460 1.00 0.00 H new ATOM 180 N SER A 15 -6.825 13.075 6.455 1.00 0.00 N ATOM 181 CA SER A 15 -6.156 14.206 7.087 1.00 0.00 C ATOM 182 C SER A 15 -6.434 14.233 8.586 1.00 0.00 C ATOM 183 O SER A 15 -7.417 13.660 9.058 1.00 0.00 O ATOM 184 CB SER A 15 -6.615 15.519 6.448 1.00 0.00 C ATOM 185 OG SER A 15 -5.620 16.521 6.571 1.00 0.00 O ATOM 0 H SER A 15 -7.519 13.334 5.754 1.00 0.00 H new ATOM 0 HA SER A 15 -5.083 14.092 6.936 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.842 15.355 5.395 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.536 15.856 6.924 1.00 0.00 H new ATOM 0 HG SER A 15 -5.937 17.349 6.154 1.00 0.00 H new ATOM 191 N HIS A 16 -5.561 14.903 9.332 1.00 0.00 N ATOM 192 CA HIS A 16 -5.712 15.006 10.779 1.00 0.00 C ATOM 193 C HIS A 16 -6.881 15.917 11.140 1.00 0.00 C ATOM 194 O HIS A 16 -7.149 16.902 10.452 1.00 0.00 O ATOM 195 CB HIS A 16 -4.424 15.535 11.411 1.00 0.00 C ATOM 196 CG HIS A 16 -4.239 15.113 12.836 1.00 0.00 C ATOM 197 ND1 HIS A 16 -5.188 15.325 13.813 1.00 0.00 N ATOM 198 CD2 HIS A 16 -3.206 14.486 13.447 1.00 0.00 C ATOM 199 CE1 HIS A 16 -4.747 14.849 14.964 1.00 0.00 C ATOM 200 NE2 HIS A 16 -3.546 14.334 14.769 1.00 0.00 N ATOM 0 H HIS A 16 -4.742 15.382 8.958 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.917 14.009 11.170 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.573 15.189 10.825 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.425 16.624 11.360 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -2.286 14.165 12.981 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.278 14.876 15.904 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.966 13.895 15.484 1.00 0.00 H new ATOM 209 N VAL A 17 -7.574 15.581 12.224 1.00 0.00 N ATOM 210 CA VAL A 17 -8.714 16.369 12.676 1.00 0.00 C ATOM 211 C VAL A 17 -8.335 17.257 13.856 1.00 0.00 C ATOM 212 O VAL A 17 -8.132 16.776 14.970 1.00 0.00 O ATOM 213 CB VAL A 17 -9.893 15.467 13.086 1.00 0.00 C ATOM 214 CG1 VAL A 17 -11.048 16.303 13.615 1.00 0.00 C ATOM 215 CG2 VAL A 17 -10.340 14.609 11.911 1.00 0.00 C ATOM 0 H VAL A 17 -7.366 14.769 12.805 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.019 16.994 11.837 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.560 14.805 13.885 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.871 15.648 13.899 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.718 16.870 14.486 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.384 16.992 12.840 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.174 13.978 12.218 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.655 15.253 11.090 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.511 13.981 11.583 1.00 0.00 H new ATOM 225 N LYS A 18 -8.241 18.559 13.603 1.00 0.00 N ATOM 226 CA LYS A 18 -7.888 19.517 14.644 1.00 0.00 C ATOM 227 C LYS A 18 -9.132 20.004 15.380 1.00 0.00 C ATOM 228 O LYS A 18 -9.242 21.182 15.722 1.00 0.00 O ATOM 229 CB LYS A 18 -7.142 20.708 14.038 1.00 0.00 C ATOM 230 CG LYS A 18 -5.871 20.319 13.303 1.00 0.00 C ATOM 231 CD LYS A 18 -4.802 19.823 14.262 1.00 0.00 C ATOM 232 CE LYS A 18 -4.030 20.977 14.883 1.00 0.00 C ATOM 233 NZ LYS A 18 -2.995 21.513 13.957 1.00 0.00 N ATOM 0 H LYS A 18 -8.404 18.974 12.686 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.237 19.014 15.360 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.806 21.229 13.348 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.892 21.412 14.832 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.095 19.541 12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.493 21.178 12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.266 19.229 15.049 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.112 19.166 13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.723 21.774 15.154 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.554 20.642 15.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.491 22.298 14.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.319 20.760 13.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.451 21.857 13.088 1.00 0.00 H new ATOM 247 N LEU A 19 -10.066 19.091 15.623 1.00 0.00 N ATOM 248 CA LEU A 19 -11.302 19.427 16.320 1.00 0.00 C ATOM 249 C LEU A 19 -11.324 18.812 17.716 1.00 0.00 C ATOM 250 O LEU A 19 -10.742 17.752 17.949 1.00 0.00 O ATOM 251 CB LEU A 19 -12.511 18.943 15.518 1.00 0.00 C ATOM 252 CG LEU A 19 -12.926 19.819 14.335 1.00 0.00 C ATOM 253 CD1 LEU A 19 -11.848 19.812 13.262 1.00 0.00 C ATOM 254 CD2 LEU A 19 -14.254 19.347 13.762 1.00 0.00 C ATOM 0 H LEU A 19 -9.991 18.112 15.347 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.351 20.511 16.420 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.297 17.941 15.145 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.360 18.856 16.196 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.050 20.842 14.691 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.161 20.441 12.428 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.918 20.198 13.678 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.692 18.792 12.909 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.534 19.982 12.921 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.158 18.316 13.422 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.023 19.405 14.532 1.00 0.00 H new ATOM 266 N LEU A 20 -12.001 19.483 18.641 1.00 0.00 N ATOM 267 CA LEU A 20 -12.102 19.001 20.015 1.00 0.00 C ATOM 268 C LEU A 20 -12.451 17.516 20.047 1.00 0.00 C ATOM 269 O LEU A 20 -12.959 16.966 19.071 1.00 0.00 O ATOM 270 CB LEU A 20 -13.158 19.801 20.780 1.00 0.00 C ATOM 271 CG LEU A 20 -14.545 19.866 20.142 1.00 0.00 C ATOM 272 CD1 LEU A 20 -15.409 18.711 20.624 1.00 0.00 C ATOM 273 CD2 LEU A 20 -15.212 21.198 20.449 1.00 0.00 C ATOM 0 H LEU A 20 -12.488 20.362 18.465 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.133 19.138 20.494 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.259 19.371 21.777 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -12.791 20.819 20.908 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.431 19.781 19.061 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.393 18.774 20.159 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.939 17.766 20.351 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.516 18.764 21.707 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.199 21.226 19.987 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.314 21.314 21.528 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -14.602 22.010 20.053 1.00 0.00 H new ATOM 285 N GLY A 21 -12.176 16.874 21.178 1.00 0.00 N ATOM 286 CA GLY A 21 -12.469 15.459 21.318 1.00 0.00 C ATOM 287 C GLY A 21 -11.339 14.581 20.819 1.00 0.00 C ATOM 288 O GLY A 21 -11.399 14.017 19.726 1.00 0.00 O ATOM 0 H GLY A 21 -11.756 17.308 22.000 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.664 15.234 22.366 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.379 15.223 20.766 1.00 0.00 H new ATOM 292 N PRO A 22 -10.278 14.457 21.630 1.00 0.00 N ATOM 293 CA PRO A 22 -9.109 13.643 21.285 1.00 0.00 C ATOM 294 C PRO A 22 -9.417 12.150 21.298 1.00 0.00 C ATOM 295 O PRO A 22 -10.448 11.723 21.819 1.00 0.00 O ATOM 296 CB PRO A 22 -8.099 13.990 22.382 1.00 0.00 C ATOM 297 CG PRO A 22 -8.931 14.428 23.538 1.00 0.00 C ATOM 298 CD PRO A 22 -10.139 15.100 22.947 1.00 0.00 C ATOM 0 HA PRO A 22 -8.752 13.850 20.276 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.484 13.128 22.641 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.421 14.780 22.060 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.220 13.577 24.155 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.378 15.114 24.180 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.025 14.948 23.564 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -9.995 16.177 22.855 1.00 0.00 H new ATOM 306 N SER A 23 -8.517 11.359 20.722 1.00 0.00 N ATOM 307 CA SER A 23 -8.695 9.913 20.665 1.00 0.00 C ATOM 308 C SER A 23 -8.003 9.233 21.842 1.00 0.00 C ATOM 309 O SER A 23 -6.783 9.068 21.848 1.00 0.00 O ATOM 310 CB SER A 23 -8.145 9.362 19.348 1.00 0.00 C ATOM 311 OG SER A 23 -8.274 7.952 19.291 1.00 0.00 O ATOM 0 H SER A 23 -7.657 11.695 20.288 1.00 0.00 H new ATOM 0 HA SER A 23 -9.763 9.701 20.722 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.678 9.813 18.511 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.096 9.639 19.244 1.00 0.00 H new ATOM 0 HG SER A 23 -7.917 7.625 18.439 1.00 0.00 H new ATOM 317 N SER A 24 -8.792 8.842 22.838 1.00 0.00 N ATOM 318 CA SER A 24 -8.256 8.183 24.024 1.00 0.00 C ATOM 319 C SER A 24 -7.792 6.767 23.696 1.00 0.00 C ATOM 320 O SER A 24 -6.683 6.369 24.050 1.00 0.00 O ATOM 321 CB SER A 24 -9.311 8.143 25.131 1.00 0.00 C ATOM 322 OG SER A 24 -9.615 9.448 25.593 1.00 0.00 O ATOM 0 H SER A 24 -9.804 8.970 22.847 1.00 0.00 H new ATOM 0 HA SER A 24 -7.397 8.757 24.371 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.217 7.666 24.757 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.950 7.535 25.960 1.00 0.00 H new ATOM 0 HG SER A 24 -10.293 9.396 26.299 1.00 0.00 H new ATOM 328 N GLU A 25 -8.650 6.012 23.017 1.00 0.00 N ATOM 329 CA GLU A 25 -8.329 4.640 22.642 1.00 0.00 C ATOM 330 C GLU A 25 -7.325 4.611 21.493 1.00 0.00 C ATOM 331 O GLU A 25 -7.477 5.329 20.504 1.00 0.00 O ATOM 332 CB GLU A 25 -9.599 3.886 22.244 1.00 0.00 C ATOM 333 CG GLU A 25 -10.358 3.306 23.425 1.00 0.00 C ATOM 334 CD GLU A 25 -11.275 4.319 24.084 1.00 0.00 C ATOM 335 OE1 GLU A 25 -11.042 5.533 23.905 1.00 0.00 O ATOM 336 OE2 GLU A 25 -12.223 3.898 24.778 1.00 0.00 O ATOM 0 H GLU A 25 -9.572 6.327 22.716 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.880 4.150 23.506 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.256 4.562 21.697 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.333 3.078 21.562 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.947 2.452 23.090 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.646 2.933 24.161 1.00 0.00 H new ATOM 343 N ARG A 26 -6.300 3.777 21.632 1.00 0.00 N ATOM 344 CA ARG A 26 -5.270 3.656 20.607 1.00 0.00 C ATOM 345 C ARG A 26 -5.187 2.223 20.087 1.00 0.00 C ATOM 346 O ARG A 26 -5.500 1.273 20.804 1.00 0.00 O ATOM 347 CB ARG A 26 -3.912 4.087 21.164 1.00 0.00 C ATOM 348 CG ARG A 26 -3.767 5.592 21.318 1.00 0.00 C ATOM 349 CD ARG A 26 -2.387 5.969 21.834 1.00 0.00 C ATOM 350 NE ARG A 26 -2.138 5.435 23.171 1.00 0.00 N ATOM 351 CZ ARG A 26 -0.943 5.435 23.751 1.00 0.00 C ATOM 352 NH1 ARG A 26 0.106 5.939 23.115 1.00 0.00 N ATOM 353 NH2 ARG A 26 -0.796 4.932 24.970 1.00 0.00 N ATOM 0 H ARG A 26 -6.160 3.175 22.444 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.539 4.311 19.778 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.760 3.615 22.135 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.125 3.720 20.505 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.942 6.076 20.357 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.527 5.963 22.005 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.628 5.594 21.147 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.291 7.055 21.854 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.925 5.041 23.687 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.004 6.328 22.178 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.023 5.938 23.562 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.601 4.545 25.462 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.122 4.932 25.415 1.00 0.00 H new ATOM 367 N ALA A 27 -4.764 2.077 18.836 1.00 0.00 N ATOM 368 CA ALA A 27 -4.639 0.761 18.220 1.00 0.00 C ATOM 369 C ALA A 27 -5.993 0.067 18.128 1.00 0.00 C ATOM 370 O ALA A 27 -6.108 -1.131 18.387 1.00 0.00 O ATOM 371 CB ALA A 27 -3.657 -0.096 19.005 1.00 0.00 C ATOM 0 H ALA A 27 -4.502 2.854 18.229 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.260 0.895 17.207 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.573 -1.076 18.535 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.680 0.387 19.015 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.014 -0.214 20.028 1.00 0.00 H new ATOM 377 N THR A 28 -7.019 0.828 17.757 1.00 0.00 N ATOM 378 CA THR A 28 -8.366 0.286 17.632 1.00 0.00 C ATOM 379 C THR A 28 -8.623 -0.227 16.220 1.00 0.00 C ATOM 380 O THR A 28 -8.171 0.350 15.231 1.00 0.00 O ATOM 381 CB THR A 28 -9.431 1.342 17.984 1.00 0.00 C ATOM 382 OG1 THR A 28 -9.294 2.481 17.126 1.00 0.00 O ATOM 383 CG2 THR A 28 -9.303 1.776 19.436 1.00 0.00 C ATOM 0 H THR A 28 -6.942 1.821 17.538 1.00 0.00 H new ATOM 0 HA THR A 28 -8.440 -0.543 18.336 1.00 0.00 H new ATOM 0 HB THR A 28 -10.415 0.896 17.840 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.976 3.147 17.355 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.065 2.522 19.661 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.437 0.912 20.087 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.315 2.205 19.602 1.00 0.00 H new ATOM 391 N PRO A 29 -9.369 -1.338 16.120 1.00 0.00 N ATOM 392 CA PRO A 29 -9.704 -1.953 14.832 1.00 0.00 C ATOM 393 C PRO A 29 -10.681 -1.107 14.023 1.00 0.00 C ATOM 394 O PRO A 29 -11.110 -1.503 12.939 1.00 0.00 O ATOM 395 CB PRO A 29 -10.351 -3.281 15.231 1.00 0.00 C ATOM 396 CG PRO A 29 -10.889 -3.045 16.600 1.00 0.00 C ATOM 397 CD PRO A 29 -9.942 -2.079 17.256 1.00 0.00 C ATOM 0 HA PRO A 29 -8.828 -2.065 14.193 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.144 -3.559 14.537 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.624 -4.093 15.226 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -11.898 -2.634 16.557 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.948 -3.977 17.162 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.460 -1.415 17.948 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -9.172 -2.597 17.828 1.00 0.00 H new ATOM 405 N ALA A 30 -11.028 0.060 14.555 1.00 0.00 N ATOM 406 CA ALA A 30 -11.953 0.963 13.881 1.00 0.00 C ATOM 407 C ALA A 30 -11.756 0.921 12.369 1.00 0.00 C ATOM 408 O ALA A 30 -12.694 0.651 11.619 1.00 0.00 O ATOM 409 CB ALA A 30 -11.776 2.383 14.399 1.00 0.00 C ATOM 0 H ALA A 30 -10.682 0.403 15.451 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.969 0.633 14.099 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.473 3.047 13.887 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.973 2.407 15.471 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.755 2.714 14.211 1.00 0.00 H new ATOM 415 N PHE A 31 -10.532 1.192 11.929 1.00 0.00 N ATOM 416 CA PHE A 31 -10.213 1.187 10.506 1.00 0.00 C ATOM 417 C PHE A 31 -10.227 -0.234 9.951 1.00 0.00 C ATOM 418 O PHE A 31 -9.845 -1.184 10.635 1.00 0.00 O ATOM 419 CB PHE A 31 -8.845 1.827 10.266 1.00 0.00 C ATOM 420 CG PHE A 31 -7.697 0.993 10.760 1.00 0.00 C ATOM 421 CD1 PHE A 31 -7.137 0.015 9.955 1.00 0.00 C ATOM 422 CD2 PHE A 31 -7.180 1.187 12.031 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.081 -0.754 10.407 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.124 0.422 12.488 1.00 0.00 C ATOM 425 CZ PHE A 31 -5.575 -0.551 11.675 1.00 0.00 C ATOM 0 H PHE A 31 -9.745 1.418 12.537 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.974 1.769 9.986 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.720 2.007 9.198 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.816 2.799 10.759 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.530 -0.149 8.962 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.607 1.944 12.671 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.652 -1.513 9.769 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.728 0.584 13.480 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.751 -1.152 12.031 1.00 0.00 H new ATOM 435 N HIS A 32 -10.669 -0.373 8.705 1.00 0.00 N ATOM 436 CA HIS A 32 -10.732 -1.678 8.056 1.00 0.00 C ATOM 437 C HIS A 32 -10.036 -1.644 6.699 1.00 0.00 C ATOM 438 O HIS A 32 -10.495 -1.002 5.754 1.00 0.00 O ATOM 439 CB HIS A 32 -12.187 -2.116 7.886 1.00 0.00 C ATOM 440 CG HIS A 32 -12.978 -2.073 9.157 1.00 0.00 C ATOM 441 ND1 HIS A 32 -12.876 -3.036 10.139 1.00 0.00 N ATOM 442 CD2 HIS A 32 -13.888 -1.176 9.604 1.00 0.00 C ATOM 443 CE1 HIS A 32 -13.689 -2.733 11.135 1.00 0.00 C ATOM 444 NE2 HIS A 32 -14.315 -1.609 10.836 1.00 0.00 N ATOM 0 H HIS A 32 -10.989 0.402 8.124 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.216 -2.398 8.691 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.667 -1.474 7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.208 -3.131 7.489 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -14.217 -0.286 9.088 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.820 -3.307 12.040 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -15.003 -1.139 11.424 1.00 0.00 H new ATOM 453 N PRO A 33 -8.901 -2.352 6.598 1.00 0.00 N ATOM 454 CA PRO A 33 -8.118 -2.419 5.360 1.00 0.00 C ATOM 455 C PRO A 33 -8.826 -3.213 4.268 1.00 0.00 C ATOM 456 O PRO A 33 -9.804 -3.913 4.531 1.00 0.00 O ATOM 457 CB PRO A 33 -6.833 -3.131 5.792 1.00 0.00 C ATOM 458 CG PRO A 33 -7.228 -3.935 6.982 1.00 0.00 C ATOM 459 CD PRO A 33 -8.296 -3.142 7.683 1.00 0.00 C ATOM 0 HA PRO A 33 -7.951 -1.432 4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.445 -3.766 4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.048 -2.416 6.040 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.602 -4.915 6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.375 -4.105 7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.028 -3.791 8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.877 -2.503 8.460 1.00 0.00 H new ATOM 467 N VAL A 34 -8.326 -3.100 3.042 1.00 0.00 N ATOM 468 CA VAL A 34 -8.910 -3.809 1.910 1.00 0.00 C ATOM 469 C VAL A 34 -8.248 -5.169 1.712 1.00 0.00 C ATOM 470 O VAL A 34 -8.902 -6.139 1.327 1.00 0.00 O ATOM 471 CB VAL A 34 -8.780 -2.994 0.609 1.00 0.00 C ATOM 472 CG1 VAL A 34 -9.493 -1.657 0.744 1.00 0.00 C ATOM 473 CG2 VAL A 34 -7.316 -2.793 0.251 1.00 0.00 C ATOM 0 H VAL A 34 -7.518 -2.524 2.807 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.966 -3.951 2.137 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.254 -3.552 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.391 -1.095 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.550 -1.827 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.050 -1.090 1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.243 -2.215 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.815 -2.256 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.839 -3.763 0.110 1.00 0.00 H new ATOM 483 N CYS A 35 -6.948 -5.232 1.979 1.00 0.00 N ATOM 484 CA CYS A 35 -6.197 -6.474 1.830 1.00 0.00 C ATOM 485 C CYS A 35 -4.787 -6.326 2.393 1.00 0.00 C ATOM 486 O CYS A 35 -4.374 -5.233 2.777 1.00 0.00 O ATOM 487 CB CYS A 35 -6.132 -6.881 0.358 1.00 0.00 C ATOM 488 SG CYS A 35 -5.980 -8.663 0.092 1.00 0.00 S ATOM 0 H CYS A 35 -6.393 -4.439 2.299 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.713 -7.253 2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.030 -6.524 -0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.284 -6.381 -0.109 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.935 -8.909 -1.184 1.00 0.00 H new ATOM 494 N GLN A 36 -4.055 -7.434 2.438 1.00 0.00 N ATOM 495 CA GLN A 36 -2.692 -7.428 2.956 1.00 0.00 C ATOM 496 C GLN A 36 -1.693 -7.801 1.865 1.00 0.00 C ATOM 497 O GLN A 36 -1.809 -8.854 1.237 1.00 0.00 O ATOM 498 CB GLN A 36 -2.566 -8.398 4.132 1.00 0.00 C ATOM 499 CG GLN A 36 -1.322 -8.174 4.976 1.00 0.00 C ATOM 500 CD GLN A 36 -1.127 -9.249 6.027 1.00 0.00 C ATOM 501 OE1 GLN A 36 -1.138 -10.441 5.721 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.947 -8.831 7.275 1.00 0.00 N ATOM 0 H GLN A 36 -4.383 -8.347 2.122 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.466 -6.419 3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.447 -8.303 4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.557 -9.419 3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.447 -8.144 4.326 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.389 -7.202 5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.945 -7.832 7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.811 -9.509 8.025 1.00 0.00 H new ATOM 511 N VAL A 37 -0.713 -6.932 1.645 1.00 0.00 N ATOM 512 CA VAL A 37 0.307 -7.170 0.630 1.00 0.00 C ATOM 513 C VAL A 37 1.682 -7.347 1.264 1.00 0.00 C ATOM 514 O VAL A 37 1.834 -7.239 2.481 1.00 0.00 O ATOM 515 CB VAL A 37 0.368 -6.015 -0.387 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.954 -5.887 -1.130 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.725 -4.710 0.310 1.00 0.00 C ATOM 0 H VAL A 37 -0.603 -6.056 2.156 1.00 0.00 H new ATOM 0 HA VAL A 37 0.028 -8.087 0.111 1.00 0.00 H new ATOM 0 HB VAL A 37 1.147 -6.237 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.892 -5.066 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.164 -6.815 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.754 -5.688 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.764 -3.905 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.030 -4.480 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.698 -4.809 0.792 1.00 0.00 H new ATOM 527 N ILE A 38 2.681 -7.620 0.431 1.00 0.00 N ATOM 528 CA ILE A 38 4.044 -7.811 0.910 1.00 0.00 C ATOM 529 C ILE A 38 5.034 -6.988 0.092 1.00 0.00 C ATOM 530 O ILE A 38 4.979 -6.973 -1.137 1.00 0.00 O ATOM 531 CB ILE A 38 4.458 -9.293 0.855 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.487 -9.598 1.945 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.014 -9.637 -0.519 1.00 0.00 C ATOM 534 CD1 ILE A 38 5.419 -11.019 2.460 1.00 0.00 C ATOM 0 H ILE A 38 2.572 -7.714 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 38 4.064 -7.475 1.947 1.00 0.00 H new ATOM 0 HB ILE A 38 3.576 -9.909 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.486 -9.410 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.337 -8.911 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.302 -10.688 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.252 -9.453 -1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.887 -9.017 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.177 -11.164 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.432 -11.206 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.599 -11.713 1.639 1.00 0.00 H new ATOM 546 N ALA A 39 5.940 -6.304 0.784 1.00 0.00 N ATOM 547 CA ALA A 39 6.945 -5.482 0.123 1.00 0.00 C ATOM 548 C ALA A 39 7.867 -6.333 -0.744 1.00 0.00 C ATOM 549 O ALA A 39 8.379 -7.360 -0.299 1.00 0.00 O ATOM 550 CB ALA A 39 7.753 -4.706 1.152 1.00 0.00 C ATOM 0 H ALA A 39 5.998 -6.303 1.802 1.00 0.00 H new ATOM 0 HA ALA A 39 6.429 -4.774 -0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.500 -4.096 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.088 -4.061 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.251 -5.404 1.825 1.00 0.00 H new ATOM 556 N MET A 40 8.073 -5.899 -1.983 1.00 0.00 N ATOM 557 CA MET A 40 8.934 -6.622 -2.912 1.00 0.00 C ATOM 558 C MET A 40 10.385 -6.172 -2.772 1.00 0.00 C ATOM 559 O MET A 40 11.311 -6.959 -2.968 1.00 0.00 O ATOM 560 CB MET A 40 8.460 -6.411 -4.351 1.00 0.00 C ATOM 561 CG MET A 40 7.154 -7.121 -4.670 1.00 0.00 C ATOM 562 SD MET A 40 6.967 -7.473 -6.429 1.00 0.00 S ATOM 563 CE MET A 40 7.118 -5.829 -7.122 1.00 0.00 C ATOM 0 H MET A 40 7.656 -5.051 -2.367 1.00 0.00 H new ATOM 0 HA MET A 40 8.876 -7.683 -2.670 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.337 -5.343 -4.532 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.232 -6.763 -5.035 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.106 -8.055 -4.109 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.319 -6.505 -4.336 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.155 -5.514 -7.524 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.431 -5.133 -6.344 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.859 -5.838 -7.921 1.00 0.00 H new ATOM 573 N TYR A 41 10.575 -4.902 -2.431 1.00 0.00 N ATOM 574 CA TYR A 41 11.913 -4.347 -2.267 1.00 0.00 C ATOM 575 C TYR A 41 11.963 -3.386 -1.083 1.00 0.00 C ATOM 576 O TYR A 41 10.985 -2.702 -0.782 1.00 0.00 O ATOM 577 CB TYR A 41 12.347 -3.623 -3.543 1.00 0.00 C ATOM 578 CG TYR A 41 11.746 -4.203 -4.803 1.00 0.00 C ATOM 579 CD1 TYR A 41 10.519 -3.757 -5.280 1.00 0.00 C ATOM 580 CD2 TYR A 41 12.403 -5.198 -5.516 1.00 0.00 C ATOM 581 CE1 TYR A 41 9.965 -4.285 -6.430 1.00 0.00 C ATOM 582 CE2 TYR A 41 11.857 -5.731 -6.668 1.00 0.00 C ATOM 583 CZ TYR A 41 10.638 -5.271 -7.121 1.00 0.00 C ATOM 584 OH TYR A 41 10.090 -5.799 -8.267 1.00 0.00 O ATOM 0 H TYR A 41 9.819 -4.238 -2.263 1.00 0.00 H new ATOM 0 HA TYR A 41 12.599 -5.171 -2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.067 -2.572 -3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.434 -3.659 -3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.990 -2.984 -4.742 1.00 0.00 H new ATOM 0 HD2 TYR A 41 13.357 -5.561 -5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.010 -3.928 -6.786 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.382 -6.503 -7.211 1.00 0.00 H new ATOM 0 HH TYR A 41 10.691 -6.482 -8.632 1.00 0.00 H new ATOM 594 N ASP A 42 13.110 -3.342 -0.414 1.00 0.00 N ATOM 595 CA ASP A 42 13.290 -2.465 0.738 1.00 0.00 C ATOM 596 C ASP A 42 13.005 -1.014 0.365 1.00 0.00 C ATOM 597 O ASP A 42 13.829 -0.350 -0.265 1.00 0.00 O ATOM 598 CB ASP A 42 14.712 -2.594 1.286 1.00 0.00 C ATOM 599 CG ASP A 42 15.764 -2.235 0.256 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.454 -2.289 -0.952 1.00 0.00 O ATOM 601 OD2 ASP A 42 16.899 -1.901 0.658 1.00 0.00 O ATOM 0 H ASP A 42 13.929 -3.903 -0.649 1.00 0.00 H new ATOM 0 HA ASP A 42 12.583 -2.769 1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.823 -1.946 2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.876 -3.616 1.627 1.00 0.00 H new ATOM 606 N TYR A 43 11.833 -0.527 0.757 1.00 0.00 N ATOM 607 CA TYR A 43 11.437 0.845 0.461 1.00 0.00 C ATOM 608 C TYR A 43 11.843 1.785 1.593 1.00 0.00 C ATOM 609 O TYR A 43 11.588 1.510 2.765 1.00 0.00 O ATOM 610 CB TYR A 43 9.927 0.925 0.233 1.00 0.00 C ATOM 611 CG TYR A 43 9.500 2.126 -0.579 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.699 3.417 -0.104 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.896 1.971 -1.820 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.309 4.518 -0.842 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.505 3.066 -2.566 1.00 0.00 C ATOM 616 CZ TYR A 43 8.713 4.337 -2.073 1.00 0.00 C ATOM 617 OH TYR A 43 8.324 5.431 -2.812 1.00 0.00 O ATOM 0 H TYR A 43 11.140 -1.062 1.281 1.00 0.00 H new ATOM 0 HA TYR A 43 11.951 1.157 -0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.596 0.018 -0.273 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.423 0.952 1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.167 3.562 0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.729 0.977 -2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.470 5.514 -0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.039 2.927 -3.530 1.00 0.00 H new ATOM 0 HH TYR A 43 7.361 5.574 -2.703 1.00 0.00 H new ATOM 627 N ALA A 44 12.475 2.897 1.231 1.00 0.00 N ATOM 628 CA ALA A 44 12.914 3.880 2.214 1.00 0.00 C ATOM 629 C ALA A 44 12.370 5.266 1.885 1.00 0.00 C ATOM 630 O ALA A 44 12.886 5.952 1.003 1.00 0.00 O ATOM 631 CB ALA A 44 14.434 3.910 2.288 1.00 0.00 C ATOM 0 H ALA A 44 12.694 3.139 0.265 1.00 0.00 H new ATOM 0 HA ALA A 44 12.520 3.586 3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.748 4.648 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.804 2.927 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.841 4.177 1.312 1.00 0.00 H new ATOM 637 N ALA A 45 11.325 5.671 2.599 1.00 0.00 N ATOM 638 CA ALA A 45 10.713 6.976 2.384 1.00 0.00 C ATOM 639 C ALA A 45 11.724 8.098 2.589 1.00 0.00 C ATOM 640 O ALA A 45 12.256 8.274 3.684 1.00 0.00 O ATOM 641 CB ALA A 45 9.522 7.160 3.312 1.00 0.00 C ATOM 0 H ALA A 45 10.885 5.114 3.331 1.00 0.00 H new ATOM 0 HA ALA A 45 10.366 7.020 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.075 8.139 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.783 6.384 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.854 7.089 4.348 1.00 0.00 H new ATOM 647 N ASN A 46 11.986 8.855 1.528 1.00 0.00 N ATOM 648 CA ASN A 46 12.935 9.960 1.592 1.00 0.00 C ATOM 649 C ASN A 46 12.404 11.083 2.478 1.00 0.00 C ATOM 650 O ASN A 46 13.168 11.910 2.974 1.00 0.00 O ATOM 651 CB ASN A 46 13.223 10.495 0.188 1.00 0.00 C ATOM 652 CG ASN A 46 12.185 11.501 -0.271 1.00 0.00 C ATOM 653 OD1 ASN A 46 12.242 12.677 0.089 1.00 0.00 O ATOM 654 ND2 ASN A 46 11.229 11.042 -1.069 1.00 0.00 N ATOM 0 H ASN A 46 11.554 8.723 0.613 1.00 0.00 H new ATOM 0 HA ASN A 46 13.861 9.585 2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.208 10.962 0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.255 9.663 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.503 11.672 -1.409 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.221 10.059 -1.342 1.00 0.00 H new ATOM 661 N ASN A 47 11.090 11.104 2.673 1.00 0.00 N ATOM 662 CA ASN A 47 10.455 12.125 3.499 1.00 0.00 C ATOM 663 C ASN A 47 9.470 11.497 4.480 1.00 0.00 C ATOM 664 O ASN A 47 9.359 10.274 4.565 1.00 0.00 O ATOM 665 CB ASN A 47 9.734 13.147 2.618 1.00 0.00 C ATOM 666 CG ASN A 47 9.196 12.532 1.341 1.00 0.00 C ATOM 667 OD1 ASN A 47 9.828 12.610 0.287 1.00 0.00 O ATOM 668 ND2 ASN A 47 8.022 11.917 1.429 1.00 0.00 N ATOM 0 H ASN A 47 10.444 10.426 2.270 1.00 0.00 H new ATOM 0 HA ASN A 47 11.234 12.632 4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.911 13.590 3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.421 13.955 2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.609 11.485 0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.533 11.877 2.323 1.00 0.00 H new ATOM 675 N GLU A 48 8.757 12.342 5.217 1.00 0.00 N ATOM 676 CA GLU A 48 7.782 11.869 6.192 1.00 0.00 C ATOM 677 C GLU A 48 6.463 11.511 5.513 1.00 0.00 C ATOM 678 O GLU A 48 5.630 10.806 6.082 1.00 0.00 O ATOM 679 CB GLU A 48 7.543 12.933 7.266 1.00 0.00 C ATOM 680 CG GLU A 48 6.770 14.141 6.764 1.00 0.00 C ATOM 681 CD GLU A 48 6.891 15.336 7.689 1.00 0.00 C ATOM 682 OE1 GLU A 48 7.889 16.078 7.571 1.00 0.00 O ATOM 683 OE2 GLU A 48 5.989 15.529 8.531 1.00 0.00 O ATOM 0 H GLU A 48 8.836 13.357 5.158 1.00 0.00 H new ATOM 0 HA GLU A 48 8.184 10.972 6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.999 12.483 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.505 13.265 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.134 14.415 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.718 13.875 6.655 1.00 0.00 H new ATOM 690 N ASP A 49 6.281 12.003 4.292 1.00 0.00 N ATOM 691 CA ASP A 49 5.064 11.736 3.534 1.00 0.00 C ATOM 692 C ASP A 49 5.026 10.287 3.061 1.00 0.00 C ATOM 693 O ASP A 49 3.958 9.683 2.969 1.00 0.00 O ATOM 694 CB ASP A 49 4.969 12.680 2.334 1.00 0.00 C ATOM 695 CG ASP A 49 4.685 14.111 2.744 1.00 0.00 C ATOM 696 OD1 ASP A 49 5.183 14.534 3.808 1.00 0.00 O ATOM 697 OD2 ASP A 49 3.964 14.809 2.000 1.00 0.00 O ATOM 0 H ASP A 49 6.961 12.589 3.806 1.00 0.00 H new ATOM 0 HA ASP A 49 4.211 11.907 4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.903 12.645 1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.181 12.334 1.665 1.00 0.00 H new ATOM 702 N GLU A 50 6.198 9.735 2.762 1.00 0.00 N ATOM 703 CA GLU A 50 6.297 8.357 2.297 1.00 0.00 C ATOM 704 C GLU A 50 6.468 7.397 3.472 1.00 0.00 C ATOM 705 O GLU A 50 6.618 7.822 4.618 1.00 0.00 O ATOM 706 CB GLU A 50 7.470 8.205 1.326 1.00 0.00 C ATOM 707 CG GLU A 50 7.200 8.791 -0.050 1.00 0.00 C ATOM 708 CD GLU A 50 8.454 8.891 -0.897 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.449 8.213 -0.566 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.441 9.649 -1.889 1.00 0.00 O ATOM 0 H GLU A 50 7.092 10.221 2.834 1.00 0.00 H new ATOM 0 HA GLU A 50 5.371 8.109 1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.349 8.689 1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.709 7.147 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.465 8.173 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.761 9.782 0.061 1.00 0.00 H new ATOM 717 N LEU A 51 6.442 6.102 3.178 1.00 0.00 N ATOM 718 CA LEU A 51 6.594 5.081 4.209 1.00 0.00 C ATOM 719 C LEU A 51 7.925 4.351 4.061 1.00 0.00 C ATOM 720 O LEU A 51 8.347 4.029 2.950 1.00 0.00 O ATOM 721 CB LEU A 51 5.439 4.080 4.136 1.00 0.00 C ATOM 722 CG LEU A 51 5.014 3.448 5.462 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.908 2.429 5.237 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.207 2.800 6.150 1.00 0.00 C ATOM 0 H LEU A 51 6.317 5.734 2.235 1.00 0.00 H new ATOM 0 HA LEU A 51 6.578 5.575 5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.575 4.584 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.720 3.281 3.449 1.00 0.00 H new ATOM 0 HG LEU A 51 4.629 4.235 6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.618 1.990 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.046 2.921 4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.266 1.645 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.886 2.355 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.622 2.025 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.968 3.555 6.346 1.00 0.00 H new ATOM 736 N SER A 52 8.580 4.091 5.188 1.00 0.00 N ATOM 737 CA SER A 52 9.864 3.400 5.184 1.00 0.00 C ATOM 738 C SER A 52 9.714 1.972 5.699 1.00 0.00 C ATOM 739 O SER A 52 9.385 1.752 6.865 1.00 0.00 O ATOM 740 CB SER A 52 10.879 4.160 6.040 1.00 0.00 C ATOM 741 OG SER A 52 11.125 5.452 5.513 1.00 0.00 O ATOM 0 H SER A 52 8.243 4.348 6.115 1.00 0.00 H new ATOM 0 HA SER A 52 10.224 3.361 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.507 4.245 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.812 3.599 6.087 1.00 0.00 H new ATOM 0 HG SER A 52 11.776 5.918 6.079 1.00 0.00 H new ATOM 747 N PHE A 53 9.958 1.004 4.822 1.00 0.00 N ATOM 748 CA PHE A 53 9.849 -0.404 5.187 1.00 0.00 C ATOM 749 C PHE A 53 10.917 -1.233 4.479 1.00 0.00 C ATOM 750 O PHE A 53 11.595 -0.749 3.573 1.00 0.00 O ATOM 751 CB PHE A 53 8.459 -0.938 4.838 1.00 0.00 C ATOM 752 CG PHE A 53 8.049 -0.661 3.419 1.00 0.00 C ATOM 753 CD1 PHE A 53 8.358 -1.556 2.408 1.00 0.00 C ATOM 754 CD2 PHE A 53 7.355 0.494 3.098 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.983 -1.303 1.102 1.00 0.00 C ATOM 756 CE2 PHE A 53 6.977 0.752 1.793 1.00 0.00 C ATOM 757 CZ PHE A 53 7.291 -0.148 0.794 1.00 0.00 C ATOM 0 H PHE A 53 10.233 1.169 3.854 1.00 0.00 H new ATOM 0 HA PHE A 53 10.002 -0.487 6.263 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.438 -2.014 5.010 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.728 -0.493 5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.898 -2.461 2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.106 1.201 3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.231 -2.008 0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.437 1.656 1.555 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.996 0.051 -0.226 1.00 0.00 H new ATOM 767 N SER A 54 11.061 -2.485 4.901 1.00 0.00 N ATOM 768 CA SER A 54 12.049 -3.381 4.311 1.00 0.00 C ATOM 769 C SER A 54 11.369 -4.510 3.543 1.00 0.00 C ATOM 770 O SER A 54 10.211 -4.842 3.799 1.00 0.00 O ATOM 771 CB SER A 54 12.955 -3.963 5.399 1.00 0.00 C ATOM 772 OG SER A 54 13.868 -2.990 5.876 1.00 0.00 O ATOM 0 H SER A 54 10.507 -2.902 5.649 1.00 0.00 H new ATOM 0 HA SER A 54 12.655 -2.804 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.346 -4.331 6.225 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.503 -4.817 5.002 1.00 0.00 H new ATOM 0 HG SER A 54 14.434 -3.386 6.571 1.00 0.00 H new ATOM 778 N LYS A 55 12.096 -5.097 2.599 1.00 0.00 N ATOM 779 CA LYS A 55 11.566 -6.190 1.792 1.00 0.00 C ATOM 780 C LYS A 55 10.898 -7.242 2.672 1.00 0.00 C ATOM 781 O LYS A 55 11.529 -7.812 3.561 1.00 0.00 O ATOM 782 CB LYS A 55 12.685 -6.833 0.969 1.00 0.00 C ATOM 783 CG LYS A 55 12.242 -8.065 0.199 1.00 0.00 C ATOM 784 CD LYS A 55 13.295 -8.503 -0.805 1.00 0.00 C ATOM 785 CE LYS A 55 12.876 -9.770 -1.535 1.00 0.00 C ATOM 786 NZ LYS A 55 13.001 -10.976 -0.670 1.00 0.00 N ATOM 0 H LYS A 55 13.055 -4.834 2.373 1.00 0.00 H new ATOM 0 HA LYS A 55 10.817 -5.779 1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.077 -6.097 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.504 -7.106 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.042 -8.879 0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.308 -7.854 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.465 -7.705 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.241 -8.674 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.844 -9.670 -1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.492 -9.896 -2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.739 -11.822 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.983 -11.067 -0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.368 -10.882 0.150 1.00 0.00 H new ATOM 800 N GLY A 56 9.618 -7.494 2.417 1.00 0.00 N ATOM 801 CA GLY A 56 8.887 -8.478 3.194 1.00 0.00 C ATOM 802 C GLY A 56 8.332 -7.904 4.483 1.00 0.00 C ATOM 803 O GLY A 56 8.236 -8.604 5.490 1.00 0.00 O ATOM 0 H GLY A 56 9.074 -7.035 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.068 -8.874 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.546 -9.315 3.427 1.00 0.00 H new ATOM 807 N GLN A 57 7.968 -6.626 4.450 1.00 0.00 N ATOM 808 CA GLN A 57 7.422 -5.958 5.626 1.00 0.00 C ATOM 809 C GLN A 57 5.911 -6.144 5.705 1.00 0.00 C ATOM 810 O GLN A 57 5.266 -6.499 4.718 1.00 0.00 O ATOM 811 CB GLN A 57 7.764 -4.467 5.596 1.00 0.00 C ATOM 812 CG GLN A 57 7.401 -3.734 6.878 1.00 0.00 C ATOM 813 CD GLN A 57 8.173 -4.244 8.079 1.00 0.00 C ATOM 814 OE1 GLN A 57 7.658 -5.031 8.874 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.415 -3.797 8.219 1.00 0.00 N ATOM 0 H GLN A 57 8.041 -6.033 3.623 1.00 0.00 H new ATOM 0 HA GLN A 57 7.872 -6.409 6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.832 -4.351 5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.243 -4.000 4.760 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.596 -2.669 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.333 -3.843 7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.802 -3.145 7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.982 -4.105 9.009 1.00 0.00 H new ATOM 824 N LEU A 58 5.351 -5.903 6.886 1.00 0.00 N ATOM 825 CA LEU A 58 3.914 -6.044 7.094 1.00 0.00 C ATOM 826 C LEU A 58 3.171 -4.795 6.631 1.00 0.00 C ATOM 827 O LEU A 58 3.119 -3.792 7.343 1.00 0.00 O ATOM 828 CB LEU A 58 3.617 -6.309 8.571 1.00 0.00 C ATOM 829 CG LEU A 58 2.244 -5.859 9.071 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.148 -6.357 8.142 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.006 -6.351 10.491 1.00 0.00 C ATOM 0 H LEU A 58 5.870 -5.609 7.713 1.00 0.00 H new ATOM 0 HA LEU A 58 3.567 -6.891 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.715 -7.379 8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.380 -5.812 9.169 1.00 0.00 H new ATOM 0 HG LEU A 58 2.220 -4.769 9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.178 -6.027 8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.309 -5.955 7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.171 -7.446 8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.024 -6.021 10.830 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.050 -7.440 10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.773 -5.945 11.150 1.00 0.00 H new ATOM 843 N ILE A 59 2.597 -4.864 5.435 1.00 0.00 N ATOM 844 CA ILE A 59 1.854 -3.740 4.878 1.00 0.00 C ATOM 845 C ILE A 59 0.402 -4.120 4.609 1.00 0.00 C ATOM 846 O ILE A 59 0.124 -5.060 3.866 1.00 0.00 O ATOM 847 CB ILE A 59 2.492 -3.236 3.571 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.889 -2.674 3.843 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.609 -2.181 2.923 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.765 -2.609 2.611 1.00 0.00 C ATOM 0 H ILE A 59 2.632 -5.686 4.833 1.00 0.00 H new ATOM 0 HA ILE A 59 1.886 -2.942 5.620 1.00 0.00 H new ATOM 0 HB ILE A 59 2.586 -4.076 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.793 -1.673 4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.380 -3.291 4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.074 -1.835 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.633 -2.611 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.486 -1.340 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.740 -2.201 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.891 -3.611 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.296 -1.968 1.864 1.00 0.00 H new ATOM 862 N ASN A 60 -0.520 -3.381 5.217 1.00 0.00 N ATOM 863 CA ASN A 60 -1.944 -3.640 5.041 1.00 0.00 C ATOM 864 C ASN A 60 -2.613 -2.503 4.274 1.00 0.00 C ATOM 865 O ASN A 60 -2.914 -1.451 4.838 1.00 0.00 O ATOM 866 CB ASN A 60 -2.622 -3.820 6.401 1.00 0.00 C ATOM 867 CG ASN A 60 -3.821 -4.747 6.331 1.00 0.00 C ATOM 868 OD1 ASN A 60 -4.297 -5.083 5.247 1.00 0.00 O ATOM 869 ND2 ASN A 60 -4.314 -5.164 7.491 1.00 0.00 N ATOM 0 H ASN A 60 -0.307 -2.599 5.836 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.053 -4.558 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.900 -4.218 7.114 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.939 -2.848 6.777 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.120 -5.789 7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.887 -4.859 8.366 1.00 0.00 H new ATOM 876 N VAL A 61 -2.844 -2.724 2.983 1.00 0.00 N ATOM 877 CA VAL A 61 -3.478 -1.719 2.138 1.00 0.00 C ATOM 878 C VAL A 61 -4.853 -1.337 2.676 1.00 0.00 C ATOM 879 O VAL A 61 -5.684 -2.201 2.953 1.00 0.00 O ATOM 880 CB VAL A 61 -3.628 -2.219 0.689 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.303 -1.163 -0.174 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.271 -2.600 0.115 1.00 0.00 C ATOM 0 H VAL A 61 -2.602 -3.589 2.500 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.830 -0.842 2.148 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.259 -3.108 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.400 -1.534 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.292 -0.943 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.701 -0.254 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.395 -2.951 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.615 -1.730 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.830 -3.393 0.719 1.00 0.00 H new ATOM 892 N MET A 62 -5.084 -0.036 2.822 1.00 0.00 N ATOM 893 CA MET A 62 -6.359 0.461 3.326 1.00 0.00 C ATOM 894 C MET A 62 -7.047 1.341 2.288 1.00 0.00 C ATOM 895 O MET A 62 -8.272 1.336 2.170 1.00 0.00 O ATOM 896 CB MET A 62 -6.148 1.248 4.620 1.00 0.00 C ATOM 897 CG MET A 62 -5.381 0.477 5.682 1.00 0.00 C ATOM 898 SD MET A 62 -4.581 1.558 6.883 1.00 0.00 S ATOM 899 CE MET A 62 -6.005 2.227 7.738 1.00 0.00 C ATOM 0 H MET A 62 -4.406 0.692 2.599 1.00 0.00 H new ATOM 0 HA MET A 62 -7.000 -0.396 3.532 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.611 2.169 4.392 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.119 1.537 5.022 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.064 -0.195 6.202 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.627 -0.145 5.200 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.799 2.272 8.808 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.214 3.230 7.367 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.869 1.587 7.561 1.00 0.00 H new ATOM 909 N ASN A 63 -6.252 2.097 1.538 1.00 0.00 N ATOM 910 CA ASN A 63 -6.785 2.984 0.510 1.00 0.00 C ATOM 911 C ASN A 63 -5.982 2.864 -0.782 1.00 0.00 C ATOM 912 O ASN A 63 -4.907 3.449 -0.914 1.00 0.00 O ATOM 913 CB ASN A 63 -6.772 4.433 1.000 1.00 0.00 C ATOM 914 CG ASN A 63 -8.063 4.820 1.696 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.086 5.040 2.907 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.145 4.904 0.930 1.00 0.00 N ATOM 0 H ASN A 63 -5.236 2.113 1.623 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.814 2.686 0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.936 4.574 1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.605 5.099 0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.043 5.160 1.341 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.078 4.713 -0.070 1.00 0.00 H new ATOM 923 N LYS A 64 -6.513 2.104 -1.734 1.00 0.00 N ATOM 924 CA LYS A 64 -5.849 1.909 -3.017 1.00 0.00 C ATOM 925 C LYS A 64 -6.691 2.473 -4.157 1.00 0.00 C ATOM 926 O LYS A 64 -6.743 1.898 -5.245 1.00 0.00 O ATOM 927 CB LYS A 64 -5.580 0.421 -3.254 1.00 0.00 C ATOM 928 CG LYS A 64 -6.837 -0.389 -3.518 1.00 0.00 C ATOM 929 CD LYS A 64 -6.599 -1.875 -3.303 1.00 0.00 C ATOM 930 CE LYS A 64 -7.486 -2.718 -4.206 1.00 0.00 C ATOM 931 NZ LYS A 64 -8.881 -2.801 -3.692 1.00 0.00 N ATOM 0 H LYS A 64 -7.402 1.613 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.900 2.444 -2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.903 0.313 -4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.069 0.010 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.635 -0.048 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.173 -0.218 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.552 -2.109 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.793 -2.129 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.493 -2.291 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.069 -3.722 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.454 -3.384 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.877 -3.232 -2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.288 -1.845 -3.636 1.00 0.00 H new ATOM 945 N ASP A 65 -7.346 3.599 -3.901 1.00 0.00 N ATOM 946 CA ASP A 65 -8.183 4.242 -4.907 1.00 0.00 C ATOM 947 C ASP A 65 -7.429 4.395 -6.225 1.00 0.00 C ATOM 948 O ASP A 65 -8.014 4.280 -7.303 1.00 0.00 O ATOM 949 CB ASP A 65 -8.653 5.611 -4.412 1.00 0.00 C ATOM 950 CG ASP A 65 -9.971 5.537 -3.668 1.00 0.00 C ATOM 951 OD1 ASP A 65 -10.772 4.626 -3.968 1.00 0.00 O ATOM 952 OD2 ASP A 65 -10.203 6.388 -2.785 1.00 0.00 O ATOM 0 H ASP A 65 -7.314 4.086 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.053 3.608 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.893 6.038 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.756 6.285 -5.262 1.00 0.00 H new ATOM 957 N ASP A 66 -6.130 4.655 -6.130 1.00 0.00 N ATOM 958 CA ASP A 66 -5.296 4.824 -7.315 1.00 0.00 C ATOM 959 C ASP A 66 -4.368 3.627 -7.501 1.00 0.00 C ATOM 960 O ASP A 66 -3.629 3.237 -6.597 1.00 0.00 O ATOM 961 CB ASP A 66 -4.475 6.110 -7.207 1.00 0.00 C ATOM 962 CG ASP A 66 -5.311 7.352 -7.442 1.00 0.00 C ATOM 963 OD1 ASP A 66 -6.431 7.426 -6.893 1.00 0.00 O ATOM 964 OD2 ASP A 66 -4.847 8.251 -8.175 1.00 0.00 O ATOM 0 H ASP A 66 -5.631 4.753 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.951 4.892 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.019 6.164 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.662 6.080 -7.932 1.00 0.00 H new ATOM 969 N PRO A 67 -4.407 3.029 -8.701 1.00 0.00 N ATOM 970 CA PRO A 67 -3.577 1.868 -9.034 1.00 0.00 C ATOM 971 C PRO A 67 -2.099 2.226 -9.151 1.00 0.00 C ATOM 972 O PRO A 67 -1.269 1.378 -9.478 1.00 0.00 O ATOM 973 CB PRO A 67 -4.127 1.415 -10.389 1.00 0.00 C ATOM 974 CG PRO A 67 -4.730 2.642 -10.981 1.00 0.00 C ATOM 975 CD PRO A 67 -5.264 3.441 -9.825 1.00 0.00 C ATOM 0 HA PRO A 67 -3.623 1.100 -8.262 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.336 1.016 -11.024 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.870 0.626 -10.271 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.987 3.212 -11.539 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.527 2.387 -11.680 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.195 4.513 -10.011 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.314 3.218 -9.633 1.00 0.00 H new ATOM 983 N ASP A 68 -1.778 3.487 -8.881 1.00 0.00 N ATOM 984 CA ASP A 68 -0.399 3.957 -8.955 1.00 0.00 C ATOM 985 C ASP A 68 0.275 3.880 -7.589 1.00 0.00 C ATOM 986 O ASP A 68 1.395 3.384 -7.466 1.00 0.00 O ATOM 987 CB ASP A 68 -0.355 5.393 -9.479 1.00 0.00 C ATOM 988 CG ASP A 68 -1.501 5.700 -10.423 1.00 0.00 C ATOM 989 OD1 ASP A 68 -2.659 5.750 -9.955 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.241 5.893 -11.629 1.00 0.00 O ATOM 0 H ASP A 68 -2.453 4.201 -8.609 1.00 0.00 H new ATOM 0 HA ASP A 68 0.143 3.310 -9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.386 6.085 -8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.591 5.560 -9.994 1.00 0.00 H new ATOM 995 N TRP A 69 -0.414 4.373 -6.567 1.00 0.00 N ATOM 996 CA TRP A 69 0.119 4.361 -5.209 1.00 0.00 C ATOM 997 C TRP A 69 -0.930 3.873 -4.216 1.00 0.00 C ATOM 998 O TRP A 69 -2.103 4.233 -4.312 1.00 0.00 O ATOM 999 CB TRP A 69 0.600 5.759 -4.815 1.00 0.00 C ATOM 1000 CG TRP A 69 1.984 6.069 -5.300 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.386 6.211 -6.597 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.149 6.274 -4.493 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.730 6.491 -6.645 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.221 6.536 -5.367 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.390 6.264 -3.116 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.512 6.784 -4.909 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.672 6.509 -2.662 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.719 6.768 -3.556 1.00 0.00 C ATOM 0 H TRP A 69 -1.343 4.786 -6.652 1.00 0.00 H new ATOM 0 HA TRP A 69 0.964 3.673 -5.184 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.092 6.500 -5.215 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.574 5.852 -3.729 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.742 6.117 -7.459 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.274 6.641 -7.495 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.588 6.068 -2.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.321 6.982 -5.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.870 6.501 -1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.709 6.959 -3.170 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.500 3.051 -3.265 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.404 2.514 -2.254 1.00 0.00 C ATOM 1021 C TRP A 70 -0.991 2.967 -0.858 1.00 0.00 C ATOM 1022 O TRP A 70 0.137 3.412 -0.650 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.428 0.986 -2.322 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.049 0.457 -3.580 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.767 1.166 -4.501 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -2.009 -0.893 -4.053 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.175 0.337 -5.518 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.722 -0.931 -5.267 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.438 -2.074 -3.571 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.879 -2.103 -6.002 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.594 -3.237 -4.301 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.309 -3.244 -5.506 1.00 0.00 C ATOM 0 H TRP A 70 0.468 2.742 -3.173 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.405 2.896 -2.458 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.408 0.610 -2.243 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.978 0.600 -1.464 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.982 2.223 -4.439 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.726 0.620 -6.328 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.884 -2.078 -2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.431 -2.111 -6.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.158 -4.155 -3.937 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.412 -4.169 -6.054 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.911 2.849 0.094 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.640 3.247 1.470 1.00 0.00 C ATOM 1045 C GLN A 71 -1.757 2.056 2.415 1.00 0.00 C ATOM 1046 O GLN A 71 -2.754 1.335 2.401 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.605 4.353 1.903 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.346 4.870 3.309 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.134 6.127 3.622 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -3.909 6.610 2.796 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.941 6.664 4.821 1.00 0.00 N ATOM 0 H GLN A 71 -2.850 2.481 -0.062 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.619 3.626 1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.532 5.183 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.626 3.976 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.604 4.095 4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.282 5.074 3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.289 6.231 5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.445 7.510 5.088 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.730 1.854 3.235 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.737 0.748 4.174 1.00 0.00 C ATOM 1062 C GLY A 72 -0.157 1.128 5.522 1.00 0.00 C ATOM 1063 O GLY A 72 0.345 2.238 5.698 1.00 0.00 O ATOM 0 H GLY A 72 0.107 2.437 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.760 0.396 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.166 -0.082 3.757 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.226 0.205 6.476 1.00 0.00 N ATOM 1068 CA GLU A 73 0.294 0.451 7.816 1.00 0.00 C ATOM 1069 C GLU A 73 1.365 -0.573 8.180 1.00 0.00 C ATOM 1070 O GLU A 73 1.369 -1.692 7.666 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.838 0.409 8.844 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.424 -0.978 9.047 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.396 -1.036 10.210 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -2.323 -0.153 11.090 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -3.229 -1.966 10.239 1.00 0.00 O ATOM 0 H GLU A 73 -0.637 -0.720 6.346 1.00 0.00 H new ATOM 0 HA GLU A 73 0.745 1.443 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.465 0.780 9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.631 1.086 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.934 -1.290 8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.615 -1.689 9.218 1.00 0.00 H new ATOM 1082 N ILE A 74 2.271 -0.182 9.070 1.00 0.00 N ATOM 1083 CA ILE A 74 3.346 -1.066 9.504 1.00 0.00 C ATOM 1084 C ILE A 74 3.716 -0.808 10.961 1.00 0.00 C ATOM 1085 O ILE A 74 4.368 0.185 11.280 1.00 0.00 O ATOM 1086 CB ILE A 74 4.602 -0.895 8.629 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.215 -0.820 7.151 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.575 -2.040 8.870 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.373 -0.477 6.240 1.00 0.00 C ATOM 0 H ILE A 74 2.282 0.741 9.504 1.00 0.00 H new ATOM 0 HA ILE A 74 2.977 -2.086 9.401 1.00 0.00 H new ATOM 0 HB ILE A 74 5.094 0.038 8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.794 -1.778 6.845 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.431 -0.073 7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.458 -1.905 8.245 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.872 -2.051 9.919 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.094 -2.985 8.619 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.025 -0.441 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.781 0.494 6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.149 -1.237 6.335 1.00 0.00 H new ATOM 1101 N ASN A 75 3.295 -1.711 11.841 1.00 0.00 N ATOM 1102 CA ASN A 75 3.583 -1.583 13.265 1.00 0.00 C ATOM 1103 C ASN A 75 3.053 -0.259 13.809 1.00 0.00 C ATOM 1104 O ASN A 75 3.725 0.417 14.587 1.00 0.00 O ATOM 1105 CB ASN A 75 5.089 -1.683 13.513 1.00 0.00 C ATOM 1106 CG ASN A 75 5.547 -3.113 13.721 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.286 -3.715 14.762 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.235 -3.664 12.728 1.00 0.00 N ATOM 0 H ASN A 75 2.753 -2.539 11.593 1.00 0.00 H new ATOM 0 HA ASN A 75 3.081 -2.398 13.787 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.623 -1.253 12.666 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.350 -1.090 14.389 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.570 -4.624 12.811 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.428 -3.127 11.882 1.00 0.00 H new ATOM 1115 N GLY A 76 1.843 0.103 13.394 1.00 0.00 N ATOM 1116 CA GLY A 76 1.243 1.343 13.851 1.00 0.00 C ATOM 1117 C GLY A 76 1.782 2.553 13.114 1.00 0.00 C ATOM 1118 O GLY A 76 1.619 3.687 13.565 1.00 0.00 O ATOM 0 H GLY A 76 1.268 -0.440 12.750 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.162 1.291 13.717 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.427 1.460 14.919 1.00 0.00 H new ATOM 1122 N VAL A 77 2.428 2.313 11.978 1.00 0.00 N ATOM 1123 CA VAL A 77 2.994 3.393 11.177 1.00 0.00 C ATOM 1124 C VAL A 77 2.293 3.501 9.827 1.00 0.00 C ATOM 1125 O VAL A 77 2.132 2.509 9.116 1.00 0.00 O ATOM 1126 CB VAL A 77 4.502 3.188 10.944 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.743 2.396 9.668 1.00 0.00 C ATOM 1128 CG2 VAL A 77 5.220 4.528 10.893 1.00 0.00 C ATOM 0 H VAL A 77 2.573 1.380 11.591 1.00 0.00 H new ATOM 0 HA VAL A 77 2.842 4.316 11.737 1.00 0.00 H new ATOM 0 HB VAL A 77 4.906 2.616 11.779 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.815 2.261 9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.262 1.421 9.749 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.325 2.937 8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.285 4.364 10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.814 5.127 10.078 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.076 5.054 11.837 1.00 0.00 H new ATOM 1138 N THR A 78 1.876 4.715 9.479 1.00 0.00 N ATOM 1139 CA THR A 78 1.192 4.954 8.215 1.00 0.00 C ATOM 1140 C THR A 78 2.025 5.841 7.297 1.00 0.00 C ATOM 1141 O THR A 78 2.747 6.724 7.759 1.00 0.00 O ATOM 1142 CB THR A 78 -0.183 5.613 8.436 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.035 6.805 9.216 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.135 4.656 9.139 1.00 0.00 C ATOM 0 H THR A 78 2.000 5.547 10.055 1.00 0.00 H new ATOM 0 HA THR A 78 1.050 3.981 7.745 1.00 0.00 H new ATOM 0 HB THR A 78 -0.601 5.866 7.462 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.913 7.219 9.351 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.099 5.143 9.284 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.268 3.762 8.530 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.720 4.376 10.107 1.00 0.00 H new ATOM 1152 N GLY A 79 1.921 5.600 5.994 1.00 0.00 N ATOM 1153 CA GLY A 79 2.671 6.387 5.032 1.00 0.00 C ATOM 1154 C GLY A 79 2.138 6.239 3.621 1.00 0.00 C ATOM 1155 O GLY A 79 0.962 5.930 3.422 1.00 0.00 O ATOM 0 H GLY A 79 1.331 4.874 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.637 7.437 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.718 6.083 5.056 1.00 0.00 H new ATOM 1159 N LEU A 80 3.002 6.461 2.637 1.00 0.00 N ATOM 1160 CA LEU A 80 2.612 6.352 1.236 1.00 0.00 C ATOM 1161 C LEU A 80 3.655 5.576 0.438 1.00 0.00 C ATOM 1162 O LEU A 80 4.857 5.781 0.604 1.00 0.00 O ATOM 1163 CB LEU A 80 2.421 7.743 0.629 1.00 0.00 C ATOM 1164 CG LEU A 80 1.124 8.465 0.999 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.129 9.884 0.453 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.081 7.695 0.479 1.00 0.00 C ATOM 0 H LEU A 80 3.978 6.718 2.784 1.00 0.00 H new ATOM 0 HA LEU A 80 1.668 5.809 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.261 8.368 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.466 7.653 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 80 1.056 8.517 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.199 10.382 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.971 10.433 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.220 9.856 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.995 8.223 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.019 7.612 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.093 6.698 0.919 1.00 0.00 H new ATOM 1178 N PHE A 81 3.186 4.685 -0.430 1.00 0.00 N ATOM 1179 CA PHE A 81 4.078 3.879 -1.255 1.00 0.00 C ATOM 1180 C PHE A 81 3.387 3.451 -2.546 1.00 0.00 C ATOM 1181 O PHE A 81 2.161 3.366 -2.625 1.00 0.00 O ATOM 1182 CB PHE A 81 4.547 2.645 -0.481 1.00 0.00 C ATOM 1183 CG PHE A 81 3.425 1.874 0.153 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.465 1.253 -0.629 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.332 1.769 1.532 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.431 0.542 -0.048 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.301 1.059 2.118 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.349 0.446 1.327 1.00 0.00 C ATOM 0 H PHE A 81 2.194 4.503 -0.580 1.00 0.00 H new ATOM 0 HA PHE A 81 4.944 4.489 -1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.093 1.987 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.247 2.956 0.294 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.525 1.325 -1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.073 2.247 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.689 0.062 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.240 0.984 3.194 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.542 -0.108 1.783 1.00 0.00 H new ATOM 1198 N PRO A 82 4.191 3.176 -3.584 1.00 0.00 N ATOM 1199 CA PRO A 82 3.679 2.752 -4.891 1.00 0.00 C ATOM 1200 C PRO A 82 3.084 1.349 -4.853 1.00 0.00 C ATOM 1201 O PRO A 82 3.556 0.484 -4.116 1.00 0.00 O ATOM 1202 CB PRO A 82 4.921 2.783 -5.785 1.00 0.00 C ATOM 1203 CG PRO A 82 6.066 2.595 -4.850 1.00 0.00 C ATOM 1204 CD PRO A 82 5.661 3.257 -3.562 1.00 0.00 C ATOM 0 HA PRO A 82 2.870 3.394 -5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.889 1.993 -6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.999 3.729 -6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.274 1.536 -4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.975 3.044 -5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.079 2.742 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.006 4.290 -3.515 1.00 0.00 H new ATOM 1212 N SER A 83 2.046 1.130 -5.654 1.00 0.00 N ATOM 1213 CA SER A 83 1.384 -0.169 -5.709 1.00 0.00 C ATOM 1214 C SER A 83 2.207 -1.163 -6.523 1.00 0.00 C ATOM 1215 O SER A 83 1.754 -2.270 -6.813 1.00 0.00 O ATOM 1216 CB SER A 83 -0.013 -0.028 -6.316 1.00 0.00 C ATOM 1217 OG SER A 83 0.059 0.374 -7.673 1.00 0.00 O ATOM 0 H SER A 83 1.645 1.834 -6.273 1.00 0.00 H new ATOM 0 HA SER A 83 1.293 -0.547 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.542 -0.978 -6.242 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.588 0.702 -5.747 1.00 0.00 H new ATOM 0 HG SER A 83 -0.839 0.363 -8.065 1.00 0.00 H new ATOM 1223 N ASN A 84 3.419 -0.759 -6.889 1.00 0.00 N ATOM 1224 CA ASN A 84 4.306 -1.614 -7.670 1.00 0.00 C ATOM 1225 C ASN A 84 5.395 -2.218 -6.789 1.00 0.00 C ATOM 1226 O ASN A 84 6.082 -3.157 -7.190 1.00 0.00 O ATOM 1227 CB ASN A 84 4.941 -0.817 -8.811 1.00 0.00 C ATOM 1228 CG ASN A 84 3.909 -0.109 -9.667 1.00 0.00 C ATOM 1229 OD1 ASN A 84 3.506 1.016 -9.371 1.00 0.00 O ATOM 1230 ND2 ASN A 84 3.474 -0.767 -10.735 1.00 0.00 N ATOM 0 H ASN A 84 3.809 0.154 -6.658 1.00 0.00 H new ATOM 0 HA ASN A 84 3.711 -2.426 -8.089 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.631 -0.082 -8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.529 -1.489 -9.437 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.778 -0.342 -11.348 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.835 -1.698 -10.943 1.00 0.00 H new ATOM 1237 N TYR A 85 5.546 -1.672 -5.587 1.00 0.00 N ATOM 1238 CA TYR A 85 6.553 -2.155 -4.650 1.00 0.00 C ATOM 1239 C TYR A 85 5.950 -3.162 -3.674 1.00 0.00 C ATOM 1240 O TYR A 85 6.527 -3.451 -2.626 1.00 0.00 O ATOM 1241 CB TYR A 85 7.165 -0.985 -3.878 1.00 0.00 C ATOM 1242 CG TYR A 85 8.382 -0.388 -4.549 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.262 0.350 -5.720 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.651 -0.562 -4.011 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.371 0.896 -6.336 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.766 -0.018 -4.619 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.621 0.710 -5.782 1.00 0.00 C ATOM 1248 OH TYR A 85 11.728 1.254 -6.392 1.00 0.00 O ATOM 0 H TYR A 85 4.984 -0.895 -5.239 1.00 0.00 H new ATOM 0 HA TYR A 85 7.336 -2.653 -5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.411 -0.208 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.440 -1.324 -2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.285 0.499 -6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.768 -1.133 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.260 1.466 -7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.745 -0.162 -4.187 1.00 0.00 H new ATOM 0 HH TYR A 85 12.530 1.031 -5.874 1.00 0.00 H new ATOM 1258 N VAL A 86 4.784 -3.694 -4.028 1.00 0.00 N ATOM 1259 CA VAL A 86 4.102 -4.669 -3.187 1.00 0.00 C ATOM 1260 C VAL A 86 3.467 -5.771 -4.027 1.00 0.00 C ATOM 1261 O VAL A 86 3.104 -5.555 -5.184 1.00 0.00 O ATOM 1262 CB VAL A 86 3.013 -4.004 -2.325 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.616 -2.917 -1.448 1.00 0.00 C ATOM 1264 CG2 VAL A 86 1.909 -3.439 -3.205 1.00 0.00 C ATOM 0 H VAL A 86 4.292 -3.465 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 86 4.857 -5.104 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 86 2.576 -4.761 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.832 -2.458 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.368 -3.355 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.081 -2.158 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.148 -2.973 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.328 -2.695 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.458 -4.244 -3.785 1.00 0.00 H new ATOM 1274 N LYS A 87 3.333 -6.955 -3.438 1.00 0.00 N ATOM 1275 CA LYS A 87 2.740 -8.092 -4.131 1.00 0.00 C ATOM 1276 C LYS A 87 1.654 -8.742 -3.279 1.00 0.00 C ATOM 1277 O LYS A 87 1.839 -8.959 -2.082 1.00 0.00 O ATOM 1278 CB LYS A 87 3.816 -9.123 -4.477 1.00 0.00 C ATOM 1279 CG LYS A 87 3.256 -10.444 -4.974 1.00 0.00 C ATOM 1280 CD LYS A 87 2.893 -10.378 -6.448 1.00 0.00 C ATOM 1281 CE LYS A 87 4.129 -10.459 -7.331 1.00 0.00 C ATOM 1282 NZ LYS A 87 4.465 -11.866 -7.687 1.00 0.00 N ATOM 0 H LYS A 87 3.628 -7.152 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 87 2.286 -7.727 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.474 -8.707 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.428 -9.307 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.990 -11.234 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.372 -10.707 -4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.215 -11.195 -6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.360 -9.449 -6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.963 -9.884 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.974 -10.003 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.313 -11.879 -8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.648 -12.409 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.669 -12.294 -8.201 1.00 0.00 H new ATOM 1296 N MET A 88 0.523 -9.052 -3.905 1.00 0.00 N ATOM 1297 CA MET A 88 -0.591 -9.679 -3.204 1.00 0.00 C ATOM 1298 C MET A 88 -0.150 -10.979 -2.537 1.00 0.00 C ATOM 1299 O MET A 88 0.198 -11.949 -3.211 1.00 0.00 O ATOM 1300 CB MET A 88 -1.741 -9.955 -4.173 1.00 0.00 C ATOM 1301 CG MET A 88 -2.397 -8.694 -4.712 1.00 0.00 C ATOM 1302 SD MET A 88 -4.143 -8.927 -5.095 1.00 0.00 S ATOM 1303 CE MET A 88 -4.630 -7.251 -5.495 1.00 0.00 C ATOM 0 H MET A 88 0.354 -8.879 -4.896 1.00 0.00 H new ATOM 0 HA MET A 88 -0.934 -8.992 -2.431 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.367 -10.546 -5.009 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.494 -10.559 -3.667 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.294 -7.894 -3.979 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.872 -8.372 -5.611 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.689 -7.232 -5.754 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.456 -6.606 -4.634 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.043 -6.894 -6.341 1.00 0.00 H new ATOM 1313 N THR A 89 -0.167 -10.992 -1.208 1.00 0.00 N ATOM 1314 CA THR A 89 0.232 -12.171 -0.450 1.00 0.00 C ATOM 1315 C THR A 89 -0.523 -13.409 -0.921 1.00 0.00 C ATOM 1316 O THR A 89 0.073 -14.460 -1.159 1.00 0.00 O ATOM 1317 CB THR A 89 -0.011 -11.978 1.059 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.366 -11.575 1.289 1.00 0.00 O ATOM 1319 CG2 THR A 89 0.938 -10.936 1.631 1.00 0.00 C ATOM 0 H THR A 89 -0.453 -10.199 -0.634 1.00 0.00 H new ATOM 0 HA THR A 89 1.299 -12.312 -0.623 1.00 0.00 H new ATOM 0 HB THR A 89 0.175 -12.928 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.413 -10.597 1.333 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.748 -10.817 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.968 -11.260 1.480 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.780 -9.983 1.126 1.00 0.00 H new ATOM 1327 N THR A 90 -1.839 -13.278 -1.055 1.00 0.00 N ATOM 1328 CA THR A 90 -2.677 -14.386 -1.497 1.00 0.00 C ATOM 1329 C THR A 90 -2.552 -15.579 -0.556 1.00 0.00 C ATOM 1330 O THR A 90 -2.623 -16.730 -0.986 1.00 0.00 O ATOM 1331 CB THR A 90 -2.310 -14.832 -2.925 1.00 0.00 C ATOM 1332 OG1 THR A 90 -2.250 -13.695 -3.793 1.00 0.00 O ATOM 1333 CG2 THR A 90 -3.326 -15.830 -3.458 1.00 0.00 C ATOM 0 H THR A 90 -2.348 -12.415 -0.864 1.00 0.00 H new ATOM 0 HA THR A 90 -3.706 -14.027 -1.489 1.00 0.00 H new ATOM 0 HB THR A 90 -1.333 -15.315 -2.891 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.466 -13.152 -3.567 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.046 -16.130 -4.468 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.348 -16.707 -2.811 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.313 -15.369 -3.478 1.00 0.00 H new ATOM 1341 N ASP A 91 -2.365 -15.296 0.728 1.00 0.00 N ATOM 1342 CA ASP A 91 -2.232 -16.347 1.731 1.00 0.00 C ATOM 1343 C ASP A 91 -3.531 -17.135 1.867 1.00 0.00 C ATOM 1344 O ASP A 91 -4.601 -16.559 2.063 1.00 0.00 O ATOM 1345 CB ASP A 91 -1.841 -15.746 3.082 1.00 0.00 C ATOM 1346 CG ASP A 91 -1.542 -16.807 4.122 1.00 0.00 C ATOM 1347 OD1 ASP A 91 -0.811 -17.767 3.798 1.00 0.00 O ATOM 1348 OD2 ASP A 91 -2.037 -16.677 5.261 1.00 0.00 O ATOM 0 H ASP A 91 -2.302 -14.348 1.099 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.447 -17.029 1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.965 -15.110 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.649 -15.108 3.440 1.00 0.00 H new ATOM 1353 N SER A 92 -3.429 -18.457 1.762 1.00 0.00 N ATOM 1354 CA SER A 92 -4.597 -19.324 1.868 1.00 0.00 C ATOM 1355 C SER A 92 -4.642 -20.008 3.231 1.00 0.00 C ATOM 1356 O SER A 92 -3.812 -20.864 3.536 1.00 0.00 O ATOM 1357 CB SER A 92 -4.581 -20.375 0.757 1.00 0.00 C ATOM 1358 OG SER A 92 -4.464 -19.768 -0.518 1.00 0.00 O ATOM 0 H SER A 92 -2.550 -18.950 1.604 1.00 0.00 H new ATOM 0 HA SER A 92 -5.489 -18.707 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.749 -21.062 0.914 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.495 -20.967 0.799 1.00 0.00 H new ATOM 0 HG SER A 92 -4.454 -20.461 -1.211 1.00 0.00 H new ATOM 1364 N SER A 93 -5.619 -19.625 4.047 1.00 0.00 N ATOM 1365 CA SER A 93 -5.772 -20.197 5.379 1.00 0.00 C ATOM 1366 C SER A 93 -6.904 -21.220 5.404 1.00 0.00 C ATOM 1367 O SER A 93 -7.801 -21.191 4.562 1.00 0.00 O ATOM 1368 CB SER A 93 -6.044 -19.094 6.404 1.00 0.00 C ATOM 1369 OG SER A 93 -5.612 -19.482 7.697 1.00 0.00 O ATOM 0 H SER A 93 -6.317 -18.920 3.808 1.00 0.00 H new ATOM 0 HA SER A 93 -4.842 -20.703 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.531 -18.180 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.110 -18.868 6.426 1.00 0.00 H new ATOM 0 HG SER A 93 -5.795 -18.760 8.334 1.00 0.00 H new ATOM 1375 N GLY A 94 -6.854 -22.125 6.377 1.00 0.00 N ATOM 1376 CA GLY A 94 -7.879 -23.145 6.494 1.00 0.00 C ATOM 1377 C GLY A 94 -7.600 -24.352 5.620 1.00 0.00 C ATOM 1378 O GLY A 94 -6.529 -24.481 5.027 1.00 0.00 O ATOM 0 H GLY A 94 -6.122 -22.170 7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.953 -23.463 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.844 -22.718 6.221 1.00 0.00 H new ATOM 1382 N PRO A 95 -8.580 -25.264 5.533 1.00 0.00 N ATOM 1383 CA PRO A 95 -8.458 -26.483 4.728 1.00 0.00 C ATOM 1384 C PRO A 95 -8.461 -26.192 3.231 1.00 0.00 C ATOM 1385 O PRO A 95 -9.442 -25.680 2.691 1.00 0.00 O ATOM 1386 CB PRO A 95 -9.697 -27.292 5.119 1.00 0.00 C ATOM 1387 CG PRO A 95 -10.685 -26.274 5.574 1.00 0.00 C ATOM 1388 CD PRO A 95 -9.883 -25.174 6.213 1.00 0.00 C ATOM 0 HA PRO A 95 -7.518 -27.002 4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -10.079 -27.865 4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.470 -28.006 5.911 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.269 -25.895 4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.391 -26.705 6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.348 -24.199 6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.786 -25.320 7.289 1.00 0.00 H new ATOM 1396 N SER A 96 -7.359 -26.521 2.566 1.00 0.00 N ATOM 1397 CA SER A 96 -7.234 -26.292 1.131 1.00 0.00 C ATOM 1398 C SER A 96 -7.919 -27.404 0.342 1.00 0.00 C ATOM 1399 O SER A 96 -7.388 -28.507 0.215 1.00 0.00 O ATOM 1400 CB SER A 96 -5.759 -26.203 0.734 1.00 0.00 C ATOM 1401 OG SER A 96 -5.061 -27.381 1.098 1.00 0.00 O ATOM 0 H SER A 96 -6.539 -26.947 2.998 1.00 0.00 H new ATOM 0 HA SER A 96 -7.724 -25.348 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 96 -5.678 -26.046 -0.342 1.00 0.00 H new ATOM 0 HB3 SER A 96 -5.300 -25.341 1.218 1.00 0.00 H new ATOM 0 HG SER A 96 -5.624 -28.163 0.920 1.00 0.00 H new ATOM 1407 N SER A 97 -9.101 -27.104 -0.186 1.00 0.00 N ATOM 1408 CA SER A 97 -9.862 -28.079 -0.960 1.00 0.00 C ATOM 1409 C SER A 97 -9.625 -27.889 -2.455 1.00 0.00 C ATOM 1410 O SER A 97 -9.826 -26.801 -2.993 1.00 0.00 O ATOM 1411 CB SER A 97 -11.355 -27.956 -0.648 1.00 0.00 C ATOM 1412 OG SER A 97 -12.085 -29.024 -1.225 1.00 0.00 O ATOM 0 H SER A 97 -9.553 -26.194 -0.092 1.00 0.00 H new ATOM 0 HA SER A 97 -9.521 -29.076 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.505 -27.950 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.732 -27.006 -1.028 1.00 0.00 H new ATOM 0 HG SER A 97 -13.036 -28.924 -1.010 1.00 0.00 H new ATOM 1418 N GLY A 98 -9.196 -28.957 -3.121 1.00 0.00 N ATOM 1419 CA GLY A 98 -8.939 -28.888 -4.547 1.00 0.00 C ATOM 1420 C GLY A 98 -8.620 -30.244 -5.145 1.00 0.00 C ATOM 1421 O GLY A 98 -7.491 -30.493 -5.568 1.00 0.00 O ATOM 0 H GLY A 98 -9.022 -29.869 -2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.810 -28.468 -5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.107 -28.208 -4.731 1.00 0.00 H new TER 1425 GLY A 98