USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 759 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0812 USER MOD Single : A 5 SER OG : rot 170:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -2.43! K(o=-2.4!,f=-1.8) USER MOD Single : A 28 GLN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.224 K(o=-0.22,f=-4.6!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -78:sc= 0.953 USER MOD Single : A 46 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.449 K(o=-0.45,f=-2.3!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 67 SER OG : rot 180:sc=0.000902 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.261 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.8) USER MOD Single : A 83 MET CE :methyl 147:sc= -3.07 (180deg=-7.86!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 154:sc= -0.113 (180deg=-0.49) USER MOD Single : A 90 ASN : amide:sc= -0.824 K(o=-0.82,f=-2.4) USER MOD Single : A 98 GLN : amide:sc= -0.146 K(o=-0.15,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.215 -11.088 -12.917 1.00 0.00 N ATOM 2 CA GLY A 1 3.964 -12.048 -11.858 1.00 0.00 C ATOM 3 C GLY A 1 4.954 -11.925 -10.717 1.00 0.00 C ATOM 4 O GLY A 1 4.659 -11.309 -9.693 1.00 0.00 O ATOM 0 H1 GLY A 1 3.512 -11.213 -13.673 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.145 -10.123 -12.535 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.169 -11.239 -13.303 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.953 -11.906 -11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.010 -13.057 -12.268 1.00 0.00 H new ATOM 8 N SER A 2 6.133 -12.514 -10.893 1.00 0.00 N ATOM 9 CA SER A 2 7.168 -12.473 -9.867 1.00 0.00 C ATOM 10 C SER A 2 7.794 -11.084 -9.782 1.00 0.00 C ATOM 11 O SER A 2 8.460 -10.633 -10.714 1.00 0.00 O ATOM 12 CB SER A 2 8.249 -13.515 -10.161 1.00 0.00 C ATOM 13 OG SER A 2 7.818 -14.814 -9.796 1.00 0.00 O ATOM 0 H SER A 2 6.395 -13.025 -11.736 1.00 0.00 H new ATOM 0 HA SER A 2 6.704 -12.703 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.498 -13.496 -11.222 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.159 -13.264 -9.616 1.00 0.00 H new ATOM 0 HG SER A 2 8.526 -15.462 -9.995 1.00 0.00 H new ATOM 19 N SER A 3 7.575 -10.410 -8.658 1.00 0.00 N ATOM 20 CA SER A 3 8.113 -9.071 -8.451 1.00 0.00 C ATOM 21 C SER A 3 9.195 -9.080 -7.376 1.00 0.00 C ATOM 22 O SER A 3 10.238 -8.445 -7.523 1.00 0.00 O ATOM 23 CB SER A 3 6.995 -8.104 -8.058 1.00 0.00 C ATOM 24 OG SER A 3 6.538 -8.360 -6.741 1.00 0.00 O ATOM 0 H SER A 3 7.028 -10.770 -7.876 1.00 0.00 H new ATOM 0 HA SER A 3 8.559 -8.737 -9.388 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.356 -7.078 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.165 -8.198 -8.759 1.00 0.00 H new ATOM 0 HG SER A 3 5.825 -7.727 -6.513 1.00 0.00 H new ATOM 30 N GLY A 4 8.937 -9.806 -6.292 1.00 0.00 N ATOM 31 CA GLY A 4 9.897 -9.885 -5.206 1.00 0.00 C ATOM 32 C GLY A 4 10.102 -11.305 -4.716 1.00 0.00 C ATOM 33 O GLY A 4 10.757 -12.109 -5.377 1.00 0.00 O ATOM 0 H GLY A 4 8.081 -10.341 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.852 -9.477 -5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.556 -9.264 -4.378 1.00 0.00 H new ATOM 37 N SER A 5 9.540 -11.613 -3.551 1.00 0.00 N ATOM 38 CA SER A 5 9.669 -12.944 -2.969 1.00 0.00 C ATOM 39 C SER A 5 8.440 -13.793 -3.277 1.00 0.00 C ATOM 40 O SER A 5 7.375 -13.268 -3.604 1.00 0.00 O ATOM 41 CB SER A 5 9.868 -12.845 -1.455 1.00 0.00 C ATOM 42 OG SER A 5 10.595 -13.956 -0.962 1.00 0.00 O ATOM 0 H SER A 5 8.991 -10.959 -2.992 1.00 0.00 H new ATOM 0 HA SER A 5 10.541 -13.424 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.399 -11.924 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.898 -12.793 -0.960 1.00 0.00 H new ATOM 0 HG SER A 5 10.848 -13.793 -0.029 1.00 0.00 H new ATOM 48 N SER A 6 8.596 -15.109 -3.172 1.00 0.00 N ATOM 49 CA SER A 6 7.501 -16.033 -3.443 1.00 0.00 C ATOM 50 C SER A 6 6.793 -16.430 -2.151 1.00 0.00 C ATOM 51 O SER A 6 6.022 -17.389 -2.122 1.00 0.00 O ATOM 52 CB SER A 6 8.023 -17.281 -4.157 1.00 0.00 C ATOM 53 OG SER A 6 9.205 -17.763 -3.541 1.00 0.00 O ATOM 0 H SER A 6 9.470 -15.559 -2.901 1.00 0.00 H new ATOM 0 HA SER A 6 6.783 -15.528 -4.089 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.259 -18.058 -4.143 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.223 -17.049 -5.203 1.00 0.00 H new ATOM 0 HG SER A 6 9.518 -18.562 -4.014 1.00 0.00 H new ATOM 59 N GLY A 7 7.061 -15.685 -1.083 1.00 0.00 N ATOM 60 CA GLY A 7 6.443 -15.974 0.198 1.00 0.00 C ATOM 61 C GLY A 7 7.071 -15.194 1.335 1.00 0.00 C ATOM 62 O GLY A 7 8.109 -15.587 1.866 1.00 0.00 O ATOM 0 H GLY A 7 7.695 -14.886 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.380 -15.741 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.525 -17.041 0.405 1.00 0.00 H new ATOM 66 N GLU A 8 6.442 -14.083 1.707 1.00 0.00 N ATOM 67 CA GLU A 8 6.949 -13.245 2.787 1.00 0.00 C ATOM 68 C GLU A 8 5.806 -12.714 3.646 1.00 0.00 C ATOM 69 O GLU A 8 4.732 -12.388 3.140 1.00 0.00 O ATOM 70 CB GLU A 8 7.759 -12.077 2.218 1.00 0.00 C ATOM 71 CG GLU A 8 9.224 -12.407 1.990 1.00 0.00 C ATOM 72 CD GLU A 8 10.026 -12.424 3.277 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.318 -11.333 3.809 1.00 0.00 O ATOM 74 OE2 GLU A 8 10.361 -13.530 3.751 1.00 0.00 O ATOM 0 H GLU A 8 5.582 -13.743 1.277 1.00 0.00 H new ATOM 0 HA GLU A 8 7.597 -13.857 3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.315 -11.764 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.688 -11.230 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.302 -13.380 1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.655 -11.675 1.307 1.00 0.00 H new ATOM 81 N LYS A 9 6.043 -12.631 4.951 1.00 0.00 N ATOM 82 CA LYS A 9 5.035 -12.140 5.883 1.00 0.00 C ATOM 83 C LYS A 9 4.185 -11.049 5.240 1.00 0.00 C ATOM 84 O LYS A 9 4.699 -10.188 4.527 1.00 0.00 O ATOM 85 CB LYS A 9 5.702 -11.601 7.150 1.00 0.00 C ATOM 86 CG LYS A 9 4.845 -11.742 8.396 1.00 0.00 C ATOM 87 CD LYS A 9 5.697 -11.867 9.648 1.00 0.00 C ATOM 88 CE LYS A 9 4.858 -11.733 10.909 1.00 0.00 C ATOM 89 NZ LYS A 9 5.644 -11.171 12.042 1.00 0.00 N ATOM 0 H LYS A 9 6.926 -12.898 5.387 1.00 0.00 H new ATOM 0 HA LYS A 9 4.385 -12.974 6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.644 -12.126 7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.944 -10.548 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.188 -10.877 8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.205 -12.619 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.205 -12.831 9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.471 -11.099 9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.001 -11.091 10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.465 -12.710 11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.036 -11.096 12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.448 -11.797 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.998 -10.227 11.785 1.00 0.00 H new ATOM 103 N ALA A 10 2.882 -11.092 5.498 1.00 0.00 N ATOM 104 CA ALA A 10 1.961 -10.105 4.947 1.00 0.00 C ATOM 105 C ALA A 10 1.298 -9.294 6.055 1.00 0.00 C ATOM 106 O ALA A 10 0.828 -9.850 7.047 1.00 0.00 O ATOM 107 CB ALA A 10 0.908 -10.788 4.088 1.00 0.00 C ATOM 0 H ALA A 10 2.440 -11.800 6.085 1.00 0.00 H new ATOM 0 HA ALA A 10 2.534 -9.419 4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.227 -10.039 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.394 -11.317 3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.347 -11.498 4.696 1.00 0.00 H new ATOM 113 N GLU A 11 1.266 -7.977 5.880 1.00 0.00 N ATOM 114 CA GLU A 11 0.661 -7.090 6.867 1.00 0.00 C ATOM 115 C GLU A 11 -0.615 -6.457 6.320 1.00 0.00 C ATOM 116 O GLU A 11 -0.565 -5.567 5.471 1.00 0.00 O ATOM 117 CB GLU A 11 1.651 -5.997 7.277 1.00 0.00 C ATOM 118 CG GLU A 11 2.592 -5.578 6.160 1.00 0.00 C ATOM 119 CD GLU A 11 3.551 -4.483 6.586 1.00 0.00 C ATOM 120 OE1 GLU A 11 4.530 -4.796 7.296 1.00 0.00 O ATOM 121 OE2 GLU A 11 3.324 -3.315 6.209 1.00 0.00 O ATOM 0 H GLU A 11 1.652 -7.501 5.065 1.00 0.00 H new ATOM 0 HA GLU A 11 0.404 -7.685 7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.095 -5.124 7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.240 -6.351 8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.162 -6.445 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.007 -5.232 5.308 1.00 0.00 H new ATOM 128 N ASP A 12 -1.757 -6.922 6.814 1.00 0.00 N ATOM 129 CA ASP A 12 -3.047 -6.402 6.376 1.00 0.00 C ATOM 130 C ASP A 12 -3.315 -5.030 6.986 1.00 0.00 C ATOM 131 O ASP A 12 -3.733 -4.102 6.292 1.00 0.00 O ATOM 132 CB ASP A 12 -4.168 -7.371 6.757 1.00 0.00 C ATOM 133 CG ASP A 12 -3.871 -8.795 6.332 1.00 0.00 C ATOM 134 OD1 ASP A 12 -4.123 -9.128 5.155 1.00 0.00 O ATOM 135 OD2 ASP A 12 -3.387 -9.578 7.177 1.00 0.00 O ATOM 0 H ASP A 12 -1.816 -7.658 7.518 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.020 -6.299 5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.319 -7.341 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.100 -7.044 6.295 1.00 0.00 H new ATOM 140 N CYS A 13 -3.073 -4.909 8.286 1.00 0.00 N ATOM 141 CA CYS A 13 -3.290 -3.650 8.991 1.00 0.00 C ATOM 142 C CYS A 13 -2.002 -2.837 9.060 1.00 0.00 C ATOM 143 O CYS A 13 -1.100 -3.149 9.838 1.00 0.00 O ATOM 144 CB CYS A 13 -3.817 -3.915 10.402 1.00 0.00 C ATOM 145 SG CYS A 13 -5.555 -4.411 10.460 1.00 0.00 S ATOM 0 H CYS A 13 -2.726 -5.667 8.874 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.032 -3.075 8.437 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.212 -4.695 10.864 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.687 -3.014 11.002 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.907 -4.615 11.695 1.00 0.00 H new ATOM 151 N TRP A 14 -1.922 -1.794 8.241 1.00 0.00 N ATOM 152 CA TRP A 14 -0.742 -0.937 8.208 1.00 0.00 C ATOM 153 C TRP A 14 -0.820 0.137 9.287 1.00 0.00 C ATOM 154 O TRP A 14 0.186 0.478 9.909 1.00 0.00 O ATOM 155 CB TRP A 14 -0.598 -0.286 6.832 1.00 0.00 C ATOM 156 CG TRP A 14 -1.795 0.520 6.428 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.843 0.102 5.658 1.00 0.00 C ATOM 158 CD2 TRP A 14 -2.066 1.884 6.771 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.749 1.123 5.502 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.296 2.226 6.176 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.390 2.848 7.524 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.861 3.492 6.311 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -1.952 4.103 7.657 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.178 4.416 7.054 1.00 0.00 C ATOM 0 H TRP A 14 -2.660 -1.522 7.591 1.00 0.00 H new ATOM 0 HA TRP A 14 0.133 -1.557 8.402 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.281 0.358 6.833 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.423 -1.062 6.087 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.945 -0.886 5.234 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.618 1.068 4.971 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.445 2.616 7.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.805 3.736 5.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.438 4.856 8.236 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.592 5.406 7.178 1.00 0.00 H new ATOM 175 N GLU A 15 -2.020 0.667 9.504 1.00 0.00 N ATOM 176 CA GLU A 15 -2.227 1.703 10.509 1.00 0.00 C ATOM 177 C GLU A 15 -1.768 1.227 11.884 1.00 0.00 C ATOM 178 O GLU A 15 -1.579 2.029 12.800 1.00 0.00 O ATOM 179 CB GLU A 15 -3.702 2.105 10.562 1.00 0.00 C ATOM 180 CG GLU A 15 -4.637 0.949 10.874 1.00 0.00 C ATOM 181 CD GLU A 15 -5.023 0.161 9.637 1.00 0.00 C ATOM 182 OE1 GLU A 15 -5.955 0.590 8.926 1.00 0.00 O ATOM 183 OE2 GLU A 15 -4.391 -0.886 9.381 1.00 0.00 O ATOM 0 H GLU A 15 -2.863 0.396 8.998 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.631 2.571 10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.832 2.880 11.317 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.985 2.542 9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.157 0.282 11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.538 1.334 11.351 1.00 0.00 H new ATOM 190 N LEU A 16 -1.590 -0.082 12.021 1.00 0.00 N ATOM 191 CA LEU A 16 -1.154 -0.666 13.285 1.00 0.00 C ATOM 192 C LEU A 16 0.315 -0.353 13.551 1.00 0.00 C ATOM 193 O LEU A 16 0.704 -0.078 14.686 1.00 0.00 O ATOM 194 CB LEU A 16 -1.369 -2.181 13.270 1.00 0.00 C ATOM 195 CG LEU A 16 -2.797 -2.658 13.536 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.901 -4.163 13.344 1.00 0.00 C ATOM 197 CD2 LEU A 16 -3.239 -2.265 14.938 1.00 0.00 C ATOM 0 H LEU A 16 -1.741 -0.759 11.273 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.751 -0.228 14.085 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.055 -2.563 12.299 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.713 -2.629 14.016 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.461 -2.174 12.819 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.924 -4.485 13.538 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.628 -4.419 12.320 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.226 -4.666 14.036 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.258 -2.613 15.109 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.572 -2.720 15.671 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.204 -1.180 15.040 1.00 0.00 H new ATOM 209 N GLN A 17 1.124 -0.394 12.498 1.00 0.00 N ATOM 210 CA GLN A 17 2.550 -0.113 12.618 1.00 0.00 C ATOM 211 C GLN A 17 2.805 1.389 12.682 1.00 0.00 C ATOM 212 O GLN A 17 3.728 1.844 13.358 1.00 0.00 O ATOM 213 CB GLN A 17 3.313 -0.722 11.441 1.00 0.00 C ATOM 214 CG GLN A 17 3.265 -2.241 11.405 1.00 0.00 C ATOM 215 CD GLN A 17 4.401 -2.880 12.179 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.355 -2.977 13.405 1.00 0.00 O ATOM 217 NE2 GLN A 17 5.430 -3.320 11.464 1.00 0.00 N ATOM 0 H GLN A 17 0.817 -0.619 11.552 1.00 0.00 H new ATOM 0 HA GLN A 17 2.906 -0.564 13.544 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.901 -0.332 10.511 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.354 -0.401 11.488 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.314 -2.580 11.816 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.302 -2.577 10.369 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.426 -3.219 10.449 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.224 -3.759 11.930 1.00 0.00 H new ATOM 226 N ILE A 18 1.981 2.155 11.974 1.00 0.00 N ATOM 227 CA ILE A 18 2.117 3.606 11.951 1.00 0.00 C ATOM 228 C ILE A 18 1.565 4.230 13.228 1.00 0.00 C ATOM 229 O ILE A 18 0.551 3.781 13.763 1.00 0.00 O ATOM 230 CB ILE A 18 1.394 4.220 10.739 1.00 0.00 C ATOM 231 CG1 ILE A 18 2.007 5.577 10.385 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.094 4.363 11.026 1.00 0.00 C ATOM 233 CD1 ILE A 18 1.325 6.263 9.222 1.00 0.00 C ATOM 0 H ILE A 18 1.212 1.794 11.409 1.00 0.00 H new ATOM 0 HA ILE A 18 3.183 3.822 11.875 1.00 0.00 H new ATOM 0 HB ILE A 18 1.517 3.553 9.885 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.959 6.227 11.259 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.062 5.439 10.147 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.591 4.799 10.159 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.520 3.382 11.234 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.237 5.011 11.890 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.812 7.219 9.027 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.395 5.633 8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.276 6.433 9.464 1.00 0.00 H new ATOM 245 N SER A 19 2.238 5.269 13.712 1.00 0.00 N ATOM 246 CA SER A 19 1.815 5.955 14.927 1.00 0.00 C ATOM 247 C SER A 19 0.363 6.410 14.818 1.00 0.00 C ATOM 248 O SER A 19 -0.198 6.525 13.728 1.00 0.00 O ATOM 249 CB SER A 19 2.720 7.159 15.200 1.00 0.00 C ATOM 250 OG SER A 19 3.837 6.789 15.988 1.00 0.00 O ATOM 0 H SER A 19 3.079 5.654 13.281 1.00 0.00 H new ATOM 0 HA SER A 19 1.896 5.253 15.757 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.062 7.583 14.256 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.152 7.936 15.711 1.00 0.00 H new ATOM 0 HG SER A 19 4.400 7.575 16.147 1.00 0.00 H new ATOM 256 N PRO A 20 -0.261 6.676 15.975 1.00 0.00 N ATOM 257 CA PRO A 20 -1.656 7.123 16.037 1.00 0.00 C ATOM 258 C PRO A 20 -1.835 8.540 15.502 1.00 0.00 C ATOM 259 O PRO A 20 -2.839 8.848 14.860 1.00 0.00 O ATOM 260 CB PRO A 20 -1.978 7.072 17.533 1.00 0.00 C ATOM 261 CG PRO A 20 -0.660 7.225 18.210 1.00 0.00 C ATOM 262 CD PRO A 20 0.346 6.561 17.311 1.00 0.00 C ATOM 0 HA PRO A 20 -2.310 6.503 15.424 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.664 7.870 17.818 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.455 6.130 17.803 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.417 8.277 18.358 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.671 6.759 19.195 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.315 7.058 17.356 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.509 5.520 17.590 1.00 0.00 H new ATOM 270 N GLU A 21 -0.854 9.397 15.770 1.00 0.00 N ATOM 271 CA GLU A 21 -0.906 10.781 15.314 1.00 0.00 C ATOM 272 C GLU A 21 -0.631 10.872 13.816 1.00 0.00 C ATOM 273 O GLU A 21 -1.039 11.828 13.155 1.00 0.00 O ATOM 274 CB GLU A 21 0.109 11.632 16.082 1.00 0.00 C ATOM 275 CG GLU A 21 -0.211 11.773 17.561 1.00 0.00 C ATOM 276 CD GLU A 21 0.656 12.810 18.248 1.00 0.00 C ATOM 277 OE1 GLU A 21 1.885 12.796 18.031 1.00 0.00 O ATOM 278 OE2 GLU A 21 0.103 13.637 19.004 1.00 0.00 O ATOM 0 H GLU A 21 -0.016 9.158 16.299 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.909 11.162 15.505 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.099 11.188 15.974 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.153 12.624 15.632 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.260 12.046 17.678 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.076 10.809 18.052 1.00 0.00 H new ATOM 285 N LEU A 22 0.063 9.870 13.286 1.00 0.00 N ATOM 286 CA LEU A 22 0.394 9.836 11.866 1.00 0.00 C ATOM 287 C LEU A 22 -0.834 9.490 11.030 1.00 0.00 C ATOM 288 O LEU A 22 -1.058 10.071 9.966 1.00 0.00 O ATOM 289 CB LEU A 22 1.505 8.817 11.606 1.00 0.00 C ATOM 290 CG LEU A 22 2.936 9.326 11.783 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.399 10.063 10.536 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.034 10.227 13.005 1.00 0.00 C ATOM 0 H LEU A 22 0.407 9.071 13.818 1.00 0.00 H new ATOM 0 HA LEU A 22 0.742 10.827 11.575 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.357 7.969 12.275 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.397 8.443 10.588 1.00 0.00 H new ATOM 0 HG LEU A 22 3.590 8.468 11.936 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.419 10.418 10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.368 9.387 9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.742 10.913 10.351 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.059 10.580 13.116 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.368 11.081 12.882 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.745 9.667 13.894 1.00 0.00 H new ATOM 304 N LEU A 23 -1.629 8.544 11.517 1.00 0.00 N ATOM 305 CA LEU A 23 -2.836 8.122 10.816 1.00 0.00 C ATOM 306 C LEU A 23 -3.761 9.309 10.562 1.00 0.00 C ATOM 307 O LEU A 23 -4.141 9.579 9.423 1.00 0.00 O ATOM 308 CB LEU A 23 -3.572 7.052 11.624 1.00 0.00 C ATOM 309 CG LEU A 23 -4.963 6.666 11.119 1.00 0.00 C ATOM 310 CD1 LEU A 23 -4.865 5.953 9.779 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.678 5.793 12.139 1.00 0.00 C ATOM 0 H LEU A 23 -1.459 8.054 12.395 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.540 7.703 9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.954 6.154 11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.665 7.402 12.652 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.544 7.578 10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.864 5.686 9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.394 6.612 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.266 5.049 9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.666 5.528 11.762 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.100 4.885 12.310 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.781 6.339 13.077 1.00 0.00 H new ATOM 323 N ALA A 24 -4.117 10.014 11.630 1.00 0.00 N ATOM 324 CA ALA A 24 -4.993 11.174 11.523 1.00 0.00 C ATOM 325 C ALA A 24 -4.312 12.308 10.764 1.00 0.00 C ATOM 326 O ALA A 24 -4.857 12.834 9.794 1.00 0.00 O ATOM 327 CB ALA A 24 -5.420 11.643 12.906 1.00 0.00 C ATOM 0 H ALA A 24 -3.812 9.802 12.580 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.880 10.878 10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.074 12.510 12.810 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.954 10.840 13.414 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.538 11.916 13.486 1.00 0.00 H new ATOM 333 N HIS A 25 -3.117 12.680 11.213 1.00 0.00 N ATOM 334 CA HIS A 25 -2.361 13.752 10.576 1.00 0.00 C ATOM 335 C HIS A 25 -2.266 13.530 9.070 1.00 0.00 C ATOM 336 O HIS A 25 -2.274 14.481 8.290 1.00 0.00 O ATOM 337 CB HIS A 25 -0.959 13.845 11.179 1.00 0.00 C ATOM 338 CG HIS A 25 -0.123 14.937 10.586 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.613 16.197 10.315 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.178 14.952 10.214 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.351 16.940 9.799 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.448 16.208 9.728 1.00 0.00 N ATOM 0 H HIS A 25 -2.652 12.255 12.015 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.888 14.689 10.755 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.045 14.007 12.253 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.449 12.892 11.040 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.874 14.130 10.286 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.257 17.970 9.488 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.349 16.524 9.370 1.00 0.00 H new ATOM 351 N GLY A 26 -2.175 12.265 8.668 1.00 0.00 N ATOM 352 CA GLY A 26 -2.079 11.941 7.257 1.00 0.00 C ATOM 353 C GLY A 26 -3.415 12.037 6.547 1.00 0.00 C ATOM 354 O GLY A 26 -3.540 12.728 5.536 1.00 0.00 O ATOM 0 H GLY A 26 -2.166 11.460 9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.368 12.616 6.780 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.684 10.931 7.145 1.00 0.00 H new ATOM 358 N ARG A 27 -4.415 11.341 7.076 1.00 0.00 N ATOM 359 CA ARG A 27 -5.748 11.348 6.485 1.00 0.00 C ATOM 360 C ARG A 27 -6.218 12.776 6.222 1.00 0.00 C ATOM 361 O ARG A 27 -6.604 13.116 5.104 1.00 0.00 O ATOM 362 CB ARG A 27 -6.741 10.635 7.404 1.00 0.00 C ATOM 363 CG ARG A 27 -6.792 9.130 7.193 1.00 0.00 C ATOM 364 CD ARG A 27 -7.514 8.432 8.335 1.00 0.00 C ATOM 365 NE ARG A 27 -8.963 8.427 8.145 1.00 0.00 N ATOM 366 CZ ARG A 27 -9.787 7.619 8.802 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.309 6.756 9.688 1.00 0.00 N ATOM 368 NH2 ARG A 27 -11.093 7.673 8.574 1.00 0.00 N ATOM 0 H ARG A 27 -4.328 10.765 7.913 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.699 10.818 5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.475 10.839 8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.736 11.050 7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.298 8.910 6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.778 8.739 7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.156 7.406 8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.273 8.930 9.274 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.363 9.080 7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.306 6.711 9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.945 6.137 10.191 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.465 8.336 7.894 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.725 7.052 9.079 1.00 0.00 H new ATOM 382 N GLN A 28 -6.182 13.606 7.259 1.00 0.00 N ATOM 383 CA GLN A 28 -6.606 14.996 7.140 1.00 0.00 C ATOM 384 C GLN A 28 -5.839 15.705 6.028 1.00 0.00 C ATOM 385 O GLN A 28 -6.423 16.423 5.217 1.00 0.00 O ATOM 386 CB GLN A 28 -6.399 15.730 8.466 1.00 0.00 C ATOM 387 CG GLN A 28 -7.280 16.958 8.625 1.00 0.00 C ATOM 388 CD GLN A 28 -8.659 16.623 9.160 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.916 16.733 10.359 1.00 0.00 O ATOM 390 NE2 GLN A 28 -9.555 16.211 8.271 1.00 0.00 N ATOM 0 H GLN A 28 -5.864 13.340 8.191 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.667 15.006 6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.598 15.042 9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.354 16.030 8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.795 17.664 9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.380 17.456 7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.299 16.134 7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.499 15.971 8.572 1.00 0.00 H new ATOM 399 N LYS A 29 -4.527 15.499 5.997 1.00 0.00 N ATOM 400 CA LYS A 29 -3.679 16.117 4.984 1.00 0.00 C ATOM 401 C LYS A 29 -4.176 15.783 3.581 1.00 0.00 C ATOM 402 O LYS A 29 -4.273 16.661 2.723 1.00 0.00 O ATOM 403 CB LYS A 29 -2.231 15.650 5.149 1.00 0.00 C ATOM 404 CG LYS A 29 -1.409 16.532 6.073 1.00 0.00 C ATOM 405 CD LYS A 29 0.075 16.436 5.762 1.00 0.00 C ATOM 406 CE LYS A 29 0.863 17.534 6.460 1.00 0.00 C ATOM 407 NZ LYS A 29 2.272 17.595 5.981 1.00 0.00 N ATOM 0 H LYS A 29 -4.027 14.909 6.662 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.723 17.198 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.229 14.631 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.754 15.620 4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.736 17.567 5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.584 16.239 7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.451 15.462 6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.227 16.506 4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.379 18.495 6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.852 17.361 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.776 18.356 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.742 16.687 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.283 17.786 4.959 1.00 0.00 H new ATOM 421 N ILE A 30 -4.488 14.512 3.356 1.00 0.00 N ATOM 422 CA ILE A 30 -4.977 14.064 2.058 1.00 0.00 C ATOM 423 C ILE A 30 -6.345 14.664 1.749 1.00 0.00 C ATOM 424 O ILE A 30 -6.611 15.084 0.622 1.00 0.00 O ATOM 425 CB ILE A 30 -5.075 12.529 1.992 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.678 11.906 2.010 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.836 12.100 0.746 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.691 10.393 2.033 1.00 0.00 C ATOM 0 H ILE A 30 -4.411 13.774 4.056 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.257 14.406 1.315 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.621 12.176 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.127 12.243 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.138 12.270 2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.897 11.012 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.842 12.519 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.315 12.461 -0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.667 10.020 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.213 10.047 2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.202 10.020 1.146 1.00 0.00 H new ATOM 440 N LEU A 31 -7.209 14.702 2.757 1.00 0.00 N ATOM 441 CA LEU A 31 -8.551 15.252 2.595 1.00 0.00 C ATOM 442 C LEU A 31 -8.495 16.661 2.015 1.00 0.00 C ATOM 443 O LEU A 31 -9.099 16.942 0.980 1.00 0.00 O ATOM 444 CB LEU A 31 -9.282 15.270 3.938 1.00 0.00 C ATOM 445 CG LEU A 31 -10.732 15.753 3.907 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.614 14.747 3.184 1.00 0.00 C ATOM 447 CD2 LEU A 31 -11.244 15.996 5.319 1.00 0.00 C ATOM 0 H LEU A 31 -7.005 14.359 3.695 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.097 14.614 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.265 14.262 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.723 15.906 4.625 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.769 16.696 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.643 15.108 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.261 14.623 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.572 13.788 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.278 16.339 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.192 15.069 5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.629 16.754 5.803 1.00 0.00 H new ATOM 459 N ASP A 32 -7.763 17.544 2.687 1.00 0.00 N ATOM 460 CA ASP A 32 -7.625 18.924 2.237 1.00 0.00 C ATOM 461 C ASP A 32 -7.239 18.978 0.762 1.00 0.00 C ATOM 462 O ASP A 32 -7.573 19.930 0.056 1.00 0.00 O ATOM 463 CB ASP A 32 -6.578 19.655 3.078 1.00 0.00 C ATOM 464 CG ASP A 32 -6.783 21.157 3.081 1.00 0.00 C ATOM 465 OD1 ASP A 32 -6.261 21.829 2.166 1.00 0.00 O ATOM 466 OD2 ASP A 32 -7.467 21.660 3.996 1.00 0.00 O ATOM 0 H ASP A 32 -7.256 17.328 3.545 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.588 19.419 2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.616 19.284 4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.584 19.428 2.693 1.00 0.00 H new ATOM 471 N LEU A 33 -6.532 17.951 0.303 1.00 0.00 N ATOM 472 CA LEU A 33 -6.099 17.881 -1.088 1.00 0.00 C ATOM 473 C LEU A 33 -7.247 17.452 -1.996 1.00 0.00 C ATOM 474 O LEU A 33 -7.386 17.946 -3.116 1.00 0.00 O ATOM 475 CB LEU A 33 -4.929 16.906 -1.231 1.00 0.00 C ATOM 476 CG LEU A 33 -4.027 17.113 -2.448 1.00 0.00 C ATOM 477 CD1 LEU A 33 -2.657 16.496 -2.208 1.00 0.00 C ATOM 478 CD2 LEU A 33 -4.669 16.522 -3.694 1.00 0.00 C ATOM 0 H LEU A 33 -6.247 17.155 0.874 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.774 18.876 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.315 16.973 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.329 15.893 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.898 18.184 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.029 16.653 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.193 16.966 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.766 15.427 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.013 16.679 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.828 15.453 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.626 17.010 -3.876 1.00 0.00 H new ATOM 490 N LEU A 34 -8.069 16.530 -1.505 1.00 0.00 N ATOM 491 CA LEU A 34 -9.207 16.035 -2.271 1.00 0.00 C ATOM 492 C LEU A 34 -10.323 17.074 -2.322 1.00 0.00 C ATOM 493 O LEU A 34 -11.254 16.962 -3.118 1.00 0.00 O ATOM 494 CB LEU A 34 -9.733 14.736 -1.658 1.00 0.00 C ATOM 495 CG LEU A 34 -8.773 13.546 -1.681 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.238 12.465 -0.719 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.648 12.989 -3.092 1.00 0.00 C ATOM 0 H LEU A 34 -7.968 16.111 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.870 15.840 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.011 14.933 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.644 14.452 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.790 13.891 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.542 11.627 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.275 12.869 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.231 12.123 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.961 12.143 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.627 12.661 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.267 13.764 -3.757 1.00 0.00 H new ATOM 509 N ASN A 35 -10.220 18.087 -1.467 1.00 0.00 N ATOM 510 CA ASN A 35 -11.219 19.148 -1.416 1.00 0.00 C ATOM 511 C ASN A 35 -10.692 20.424 -2.065 1.00 0.00 C ATOM 512 O ASN A 35 -11.466 21.267 -2.518 1.00 0.00 O ATOM 513 CB ASN A 35 -11.622 19.429 0.033 1.00 0.00 C ATOM 514 CG ASN A 35 -12.729 18.511 0.514 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.606 18.121 -0.258 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.694 18.161 1.794 1.00 0.00 N ATOM 0 H ASN A 35 -9.455 18.195 -0.801 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.095 18.814 -1.972 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.751 19.313 0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.949 20.465 0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.413 17.545 2.174 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.948 18.508 2.397 1.00 0.00 H new ATOM 523 N GLU A 36 -9.370 20.558 -2.106 1.00 0.00 N ATOM 524 CA GLU A 36 -8.740 21.731 -2.700 1.00 0.00 C ATOM 525 C GLU A 36 -7.728 21.324 -3.767 1.00 0.00 C ATOM 526 O GLU A 36 -6.864 22.111 -4.151 1.00 0.00 O ATOM 527 CB GLU A 36 -8.050 22.568 -1.620 1.00 0.00 C ATOM 528 CG GLU A 36 -9.014 23.196 -0.628 1.00 0.00 C ATOM 529 CD GLU A 36 -9.431 24.598 -1.026 1.00 0.00 C ATOM 530 OE1 GLU A 36 -10.181 24.735 -2.015 1.00 0.00 O ATOM 531 OE2 GLU A 36 -9.007 25.558 -0.349 1.00 0.00 O ATOM 0 H GLU A 36 -8.715 19.869 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.519 22.330 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.345 21.937 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.470 23.357 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.901 22.568 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.548 23.226 0.357 1.00 0.00 H new ATOM 538 N GLY A 37 -7.843 20.088 -4.242 1.00 0.00 N ATOM 539 CA GLY A 37 -6.933 19.596 -5.260 1.00 0.00 C ATOM 540 C GLY A 37 -7.659 19.057 -6.476 1.00 0.00 C ATOM 541 O GLY A 37 -8.371 18.057 -6.390 1.00 0.00 O ATOM 0 H GLY A 37 -8.550 19.418 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.266 20.402 -5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.309 18.810 -4.835 1.00 0.00 H new ATOM 545 N SER A 38 -7.481 19.722 -7.613 1.00 0.00 N ATOM 546 CA SER A 38 -8.130 19.307 -8.851 1.00 0.00 C ATOM 547 C SER A 38 -7.562 17.979 -9.344 1.00 0.00 C ATOM 548 O SER A 38 -6.725 17.367 -8.682 1.00 0.00 O ATOM 549 CB SER A 38 -7.955 20.380 -9.928 1.00 0.00 C ATOM 550 OG SER A 38 -8.415 21.640 -9.472 1.00 0.00 O ATOM 0 H SER A 38 -6.893 20.550 -7.702 1.00 0.00 H new ATOM 0 HA SER A 38 -9.193 19.175 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.904 20.452 -10.206 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.503 20.092 -10.825 1.00 0.00 H new ATOM 0 HG SER A 38 -8.291 22.309 -10.178 1.00 0.00 H new ATOM 556 N ALA A 39 -8.023 17.542 -10.510 1.00 0.00 N ATOM 557 CA ALA A 39 -7.561 16.288 -11.093 1.00 0.00 C ATOM 558 C ALA A 39 -6.041 16.269 -11.218 1.00 0.00 C ATOM 559 O ALA A 39 -5.374 15.394 -10.664 1.00 0.00 O ATOM 560 CB ALA A 39 -8.207 16.068 -12.453 1.00 0.00 C ATOM 0 H ALA A 39 -8.716 18.037 -11.070 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.856 15.476 -10.428 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.853 15.128 -12.876 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.290 16.029 -12.339 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.941 16.889 -13.119 1.00 0.00 H new ATOM 566 N ARG A 40 -5.500 17.238 -11.949 1.00 0.00 N ATOM 567 CA ARG A 40 -4.058 17.330 -12.148 1.00 0.00 C ATOM 568 C ARG A 40 -3.323 17.306 -10.812 1.00 0.00 C ATOM 569 O ARG A 40 -2.337 16.587 -10.647 1.00 0.00 O ATOM 570 CB ARG A 40 -3.709 18.609 -12.912 1.00 0.00 C ATOM 571 CG ARG A 40 -4.252 18.638 -14.331 1.00 0.00 C ATOM 572 CD ARG A 40 -3.357 17.864 -15.287 1.00 0.00 C ATOM 573 NE ARG A 40 -3.782 18.013 -16.676 1.00 0.00 N ATOM 574 CZ ARG A 40 -3.148 17.456 -17.702 1.00 0.00 C ATOM 575 NH1 ARG A 40 -2.067 16.717 -17.496 1.00 0.00 N ATOM 576 NH2 ARG A 40 -3.596 17.638 -18.938 1.00 0.00 N ATOM 0 H ARG A 40 -6.038 17.970 -12.413 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.740 16.467 -12.733 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.100 19.467 -12.365 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.625 18.718 -12.944 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.256 18.213 -14.346 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.338 19.671 -14.668 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.329 18.212 -15.183 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.365 16.808 -15.017 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.611 18.575 -16.869 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.720 16.575 -16.548 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.583 16.291 -18.286 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.428 18.206 -19.101 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.109 17.210 -19.725 1.00 0.00 H new ATOM 590 N ASP A 41 -3.807 18.098 -9.861 1.00 0.00 N ATOM 591 CA ASP A 41 -3.196 18.167 -8.539 1.00 0.00 C ATOM 592 C ASP A 41 -3.117 16.783 -7.903 1.00 0.00 C ATOM 593 O ASP A 41 -2.105 16.421 -7.302 1.00 0.00 O ATOM 594 CB ASP A 41 -3.990 19.112 -7.636 1.00 0.00 C ATOM 595 CG ASP A 41 -3.644 20.569 -7.875 1.00 0.00 C ATOM 596 OD1 ASP A 41 -2.446 20.872 -8.052 1.00 0.00 O ATOM 597 OD2 ASP A 41 -4.571 21.406 -7.884 1.00 0.00 O ATOM 0 H ASP A 41 -4.621 18.701 -9.981 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.183 18.552 -8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.056 18.962 -7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.796 18.862 -6.593 1.00 0.00 H new ATOM 602 N LEU A 42 -4.191 16.013 -8.040 1.00 0.00 N ATOM 603 CA LEU A 42 -4.245 14.668 -7.478 1.00 0.00 C ATOM 604 C LEU A 42 -3.286 13.734 -8.209 1.00 0.00 C ATOM 605 O LEU A 42 -2.527 12.994 -7.584 1.00 0.00 O ATOM 606 CB LEU A 42 -5.670 14.117 -7.556 1.00 0.00 C ATOM 607 CG LEU A 42 -6.708 14.817 -6.678 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.116 14.444 -7.116 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.493 14.466 -5.213 1.00 0.00 C ATOM 0 H LEU A 42 -5.036 16.297 -8.535 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.942 14.726 -6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.003 14.172 -8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.646 13.062 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.586 15.894 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.841 14.951 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.267 14.747 -8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.250 13.366 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.241 14.973 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.587 13.388 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.497 14.785 -4.905 1.00 0.00 H new ATOM 621 N ARG A 43 -3.326 13.775 -9.537 1.00 0.00 N ATOM 622 CA ARG A 43 -2.460 12.933 -10.354 1.00 0.00 C ATOM 623 C ARG A 43 -1.078 12.799 -9.721 1.00 0.00 C ATOM 624 O ARG A 43 -0.449 11.744 -9.798 1.00 0.00 O ATOM 625 CB ARG A 43 -2.333 13.512 -11.764 1.00 0.00 C ATOM 626 CG ARG A 43 -3.521 13.202 -12.659 1.00 0.00 C ATOM 627 CD ARG A 43 -3.140 13.257 -14.130 1.00 0.00 C ATOM 628 NE ARG A 43 -2.258 12.157 -14.508 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.628 12.088 -15.676 1.00 0.00 C ATOM 630 NH1 ARG A 43 -1.782 13.051 -16.574 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.842 11.054 -15.947 1.00 0.00 N ATOM 0 H ARG A 43 -3.949 14.382 -10.070 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.911 11.942 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.214 14.593 -11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.428 13.121 -12.228 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.910 12.212 -12.420 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.322 13.915 -12.463 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.043 13.224 -14.740 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.647 14.206 -14.342 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.118 11.400 -13.839 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.385 13.848 -16.369 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.297 12.995 -17.470 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.721 10.311 -15.259 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.359 11.002 -16.844 1.00 0.00 H new ATOM 645 N SER A 44 -0.612 13.875 -9.095 1.00 0.00 N ATOM 646 CA SER A 44 0.697 13.879 -8.453 1.00 0.00 C ATOM 647 C SER A 44 0.803 12.752 -7.430 1.00 0.00 C ATOM 648 O SER A 44 1.780 12.002 -7.414 1.00 0.00 O ATOM 649 CB SER A 44 0.951 15.226 -7.773 1.00 0.00 C ATOM 650 OG SER A 44 0.235 15.325 -6.554 1.00 0.00 O ATOM 0 H SER A 44 -1.122 14.755 -9.019 1.00 0.00 H new ATOM 0 HA SER A 44 1.453 13.721 -9.222 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.018 15.345 -7.583 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.654 16.035 -8.440 1.00 0.00 H new ATOM 0 HG SER A 44 -0.706 15.521 -6.743 1.00 0.00 H new ATOM 656 N LEU A 45 -0.208 12.639 -6.576 1.00 0.00 N ATOM 657 CA LEU A 45 -0.230 11.604 -5.549 1.00 0.00 C ATOM 658 C LEU A 45 -0.046 10.221 -6.165 1.00 0.00 C ATOM 659 O LEU A 45 -0.237 10.037 -7.367 1.00 0.00 O ATOM 660 CB LEU A 45 -1.546 11.658 -4.771 1.00 0.00 C ATOM 661 CG LEU A 45 -1.792 12.926 -3.953 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.263 13.052 -3.591 1.00 0.00 C ATOM 663 CD2 LEU A 45 -0.930 12.926 -2.698 1.00 0.00 C ATOM 0 H LEU A 45 -1.024 13.252 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 45 0.598 11.789 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.367 11.541 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.581 10.802 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.514 13.787 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.418 13.961 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.859 13.099 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.568 12.187 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.118 13.836 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.176 12.057 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.122 12.885 -2.979 1.00 0.00 H new ATOM 675 N GLN A 46 0.323 9.253 -5.333 1.00 0.00 N ATOM 676 CA GLN A 46 0.531 7.886 -5.797 1.00 0.00 C ATOM 677 C GLN A 46 -0.757 7.076 -5.697 1.00 0.00 C ATOM 678 O GLN A 46 -1.640 7.391 -4.900 1.00 0.00 O ATOM 679 CB GLN A 46 1.636 7.211 -4.982 1.00 0.00 C ATOM 680 CG GLN A 46 3.004 7.849 -5.167 1.00 0.00 C ATOM 681 CD GLN A 46 3.424 7.918 -6.622 1.00 0.00 C ATOM 682 OE1 GLN A 46 3.601 9.002 -7.178 1.00 0.00 O ATOM 683 NE2 GLN A 46 3.584 6.758 -7.248 1.00 0.00 N ATOM 0 H GLN A 46 0.484 9.389 -4.335 1.00 0.00 H new ATOM 0 HA GLN A 46 0.834 7.926 -6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.369 7.244 -3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.693 6.160 -5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.991 8.855 -4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.745 7.280 -4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.427 5.883 -6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.864 6.742 -8.229 1.00 0.00 H new ATOM 692 N ARG A 47 -0.857 6.031 -6.513 1.00 0.00 N ATOM 693 CA ARG A 47 -2.038 5.176 -6.518 1.00 0.00 C ATOM 694 C ARG A 47 -3.287 5.977 -6.873 1.00 0.00 C ATOM 695 O ARG A 47 -4.353 5.773 -6.292 1.00 0.00 O ATOM 696 CB ARG A 47 -2.218 4.510 -5.152 1.00 0.00 C ATOM 697 CG ARG A 47 -0.929 3.948 -4.575 1.00 0.00 C ATOM 698 CD ARG A 47 -0.611 2.578 -5.153 1.00 0.00 C ATOM 699 NE ARG A 47 -0.102 2.665 -6.519 1.00 0.00 N ATOM 700 CZ ARG A 47 -0.090 1.641 -7.366 1.00 0.00 C ATOM 701 NH1 ARG A 47 -0.557 0.459 -6.988 1.00 0.00 N ATOM 702 NH2 ARG A 47 0.389 1.799 -8.593 1.00 0.00 N ATOM 0 H ARG A 47 -0.135 5.756 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.894 4.405 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.632 5.238 -4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.947 3.705 -5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.107 4.632 -4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.015 3.876 -3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.126 2.081 -4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.510 1.961 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 47 0.264 3.561 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.926 0.334 -6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.547 -0.326 -7.640 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.749 2.707 -8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.398 1.012 -9.242 1.00 0.00 H new ATOM 716 N ILE A 48 -3.147 6.888 -7.830 1.00 0.00 N ATOM 717 CA ILE A 48 -4.264 7.719 -8.262 1.00 0.00 C ATOM 718 C ILE A 48 -4.429 7.673 -9.778 1.00 0.00 C ATOM 719 O ILE A 48 -5.403 7.124 -10.290 1.00 0.00 O ATOM 720 CB ILE A 48 -4.080 9.183 -7.822 1.00 0.00 C ATOM 721 CG1 ILE A 48 -3.964 9.269 -6.298 1.00 0.00 C ATOM 722 CG2 ILE A 48 -5.238 10.035 -8.319 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.161 8.701 -5.568 1.00 0.00 C ATOM 0 H ILE A 48 -2.271 7.069 -8.321 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.159 7.316 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.158 9.566 -8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.068 8.736 -5.979 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.834 10.312 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.093 11.067 -8.000 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.279 9.994 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.173 9.655 -7.906 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.010 8.795 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.058 9.249 -5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.279 7.649 -5.827 1.00 0.00 H new ATOM 735 N GLY A 49 -3.467 8.252 -10.490 1.00 0.00 N ATOM 736 CA GLY A 49 -3.523 8.265 -11.940 1.00 0.00 C ATOM 737 C GLY A 49 -4.490 9.303 -12.474 1.00 0.00 C ATOM 738 O GLY A 49 -5.289 9.877 -11.734 1.00 0.00 O ATOM 0 H GLY A 49 -2.650 8.712 -10.089 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.527 8.462 -12.337 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.819 7.279 -12.298 1.00 0.00 H new ATOM 742 N PRO A 50 -4.422 9.560 -13.789 1.00 0.00 N ATOM 743 CA PRO A 50 -5.290 10.538 -14.450 1.00 0.00 C ATOM 744 C PRO A 50 -6.742 10.075 -14.515 1.00 0.00 C ATOM 745 O PRO A 50 -7.613 10.794 -15.005 1.00 0.00 O ATOM 746 CB PRO A 50 -4.699 10.643 -15.858 1.00 0.00 C ATOM 747 CG PRO A 50 -4.010 9.340 -16.078 1.00 0.00 C ATOM 748 CD PRO A 50 -3.494 8.913 -14.732 1.00 0.00 C ATOM 0 HA PRO A 50 -5.318 11.486 -13.913 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.477 10.810 -16.603 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.002 11.477 -15.933 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.697 8.599 -16.486 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.194 9.446 -16.793 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.503 7.828 -14.624 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.467 9.241 -14.573 1.00 0.00 H new ATOM 756 N LYS A 51 -6.996 8.870 -14.018 1.00 0.00 N ATOM 757 CA LYS A 51 -8.343 8.310 -14.017 1.00 0.00 C ATOM 758 C LYS A 51 -9.126 8.777 -12.794 1.00 0.00 C ATOM 759 O LYS A 51 -10.069 9.560 -12.910 1.00 0.00 O ATOM 760 CB LYS A 51 -8.282 6.781 -14.043 1.00 0.00 C ATOM 761 CG LYS A 51 -9.619 6.124 -14.340 1.00 0.00 C ATOM 762 CD LYS A 51 -9.479 4.619 -14.490 1.00 0.00 C ATOM 763 CE LYS A 51 -10.778 3.902 -14.151 1.00 0.00 C ATOM 764 NZ LYS A 51 -10.632 2.422 -14.231 1.00 0.00 N ATOM 0 H LYS A 51 -6.286 8.261 -13.610 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.856 8.663 -14.912 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.558 6.467 -14.795 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.917 6.424 -13.080 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.321 6.347 -13.537 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.037 6.544 -15.255 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.186 4.380 -15.512 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.683 4.260 -13.838 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.096 4.182 -13.147 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.562 4.227 -14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.538 1.970 -13.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.353 2.152 -15.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.902 2.108 -13.560 1.00 0.00 H new ATOM 778 N LYS A 52 -8.727 8.294 -11.622 1.00 0.00 N ATOM 779 CA LYS A 52 -9.389 8.664 -10.377 1.00 0.00 C ATOM 780 C LYS A 52 -9.356 10.175 -10.171 1.00 0.00 C ATOM 781 O LYS A 52 -10.333 10.770 -9.717 1.00 0.00 O ATOM 782 CB LYS A 52 -8.720 7.963 -9.192 1.00 0.00 C ATOM 783 CG LYS A 52 -8.855 6.450 -9.226 1.00 0.00 C ATOM 784 CD LYS A 52 -7.777 5.776 -8.394 1.00 0.00 C ATOM 785 CE LYS A 52 -8.075 4.299 -8.187 1.00 0.00 C ATOM 786 NZ LYS A 52 -7.935 3.522 -9.450 1.00 0.00 N ATOM 0 H LYS A 52 -7.948 7.645 -11.509 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.430 8.346 -10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.662 8.225 -9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.156 8.338 -8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.838 6.163 -8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.792 6.101 -10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.812 5.888 -8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.699 6.272 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.398 3.894 -7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.087 4.184 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.146 2.520 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.599 3.892 -10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.962 3.611 -9.806 1.00 0.00 H new ATOM 800 N ALA A 53 -8.228 10.790 -10.510 1.00 0.00 N ATOM 801 CA ALA A 53 -8.070 12.231 -10.366 1.00 0.00 C ATOM 802 C ALA A 53 -9.280 12.975 -10.922 1.00 0.00 C ATOM 803 O ALA A 53 -9.617 14.063 -10.459 1.00 0.00 O ATOM 804 CB ALA A 53 -6.798 12.695 -11.060 1.00 0.00 C ATOM 0 H ALA A 53 -7.410 10.312 -10.887 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.994 12.458 -9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.693 13.774 -10.944 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.937 12.197 -10.614 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.851 12.447 -12.120 1.00 0.00 H new ATOM 810 N GLN A 54 -9.927 12.379 -11.919 1.00 0.00 N ATOM 811 CA GLN A 54 -11.099 12.987 -12.539 1.00 0.00 C ATOM 812 C GLN A 54 -12.380 12.518 -11.858 1.00 0.00 C ATOM 813 O GLN A 54 -13.301 13.305 -11.634 1.00 0.00 O ATOM 814 CB GLN A 54 -11.146 12.648 -14.030 1.00 0.00 C ATOM 815 CG GLN A 54 -10.013 13.267 -14.831 1.00 0.00 C ATOM 816 CD GLN A 54 -10.338 14.666 -15.316 1.00 0.00 C ATOM 817 OE1 GLN A 54 -9.583 15.609 -15.079 1.00 0.00 O ATOM 818 NE2 GLN A 54 -11.467 14.808 -16.001 1.00 0.00 N ATOM 0 H GLN A 54 -9.660 11.477 -12.314 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.022 14.068 -12.421 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.114 11.565 -14.149 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.097 12.986 -14.441 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.114 13.300 -14.216 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.790 12.632 -15.688 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.063 13.999 -16.175 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.738 15.726 -16.354 1.00 0.00 H new ATOM 827 N LEU A 55 -12.434 11.232 -11.530 1.00 0.00 N ATOM 828 CA LEU A 55 -13.603 10.657 -10.874 1.00 0.00 C ATOM 829 C LEU A 55 -13.901 11.379 -9.563 1.00 0.00 C ATOM 830 O LEU A 55 -15.059 11.643 -9.239 1.00 0.00 O ATOM 831 CB LEU A 55 -13.383 9.167 -10.610 1.00 0.00 C ATOM 832 CG LEU A 55 -13.181 8.289 -11.846 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.780 6.879 -11.440 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.445 8.262 -12.693 1.00 0.00 C ATOM 0 H LEU A 55 -11.681 10.567 -11.708 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.459 10.779 -11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.511 9.058 -9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.240 8.786 -10.055 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.376 8.716 -12.443 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.641 6.269 -12.333 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.848 6.914 -10.875 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.563 6.442 -10.821 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.283 7.633 -13.568 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.269 7.860 -12.104 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.689 9.274 -13.014 1.00 0.00 H new ATOM 846 N ILE A 56 -12.850 11.695 -8.816 1.00 0.00 N ATOM 847 CA ILE A 56 -12.999 12.389 -7.543 1.00 0.00 C ATOM 848 C ILE A 56 -13.449 13.831 -7.752 1.00 0.00 C ATOM 849 O ILE A 56 -14.285 14.346 -7.010 1.00 0.00 O ATOM 850 CB ILE A 56 -11.684 12.384 -6.741 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.108 10.968 -6.674 1.00 0.00 C ATOM 852 CG2 ILE A 56 -11.915 12.935 -5.342 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.612 10.935 -6.451 1.00 0.00 C ATOM 0 H ILE A 56 -11.885 11.482 -9.070 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.761 11.852 -6.978 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.963 13.025 -7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.600 10.422 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.341 10.445 -7.602 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.977 12.925 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.285 13.958 -5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.649 12.317 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.272 9.900 -6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.111 11.453 -7.269 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.374 11.429 -5.509 1.00 0.00 H new ATOM 865 N VAL A 57 -12.888 14.478 -8.769 1.00 0.00 N ATOM 866 CA VAL A 57 -13.233 15.861 -9.078 1.00 0.00 C ATOM 867 C VAL A 57 -14.677 15.974 -9.553 1.00 0.00 C ATOM 868 O VAL A 57 -15.526 16.537 -8.863 1.00 0.00 O ATOM 869 CB VAL A 57 -12.302 16.443 -10.159 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.687 17.879 -10.478 1.00 0.00 C ATOM 871 CG2 VAL A 57 -10.850 16.357 -9.713 1.00 0.00 C ATOM 0 H VAL A 57 -12.193 14.067 -9.392 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.111 16.431 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.414 15.852 -11.068 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.019 18.273 -11.243 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.714 17.908 -10.843 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.605 18.486 -9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.206 16.772 -10.488 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.719 16.923 -8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.584 15.314 -9.540 1.00 0.00 H new ATOM 881 N GLY A 58 -14.950 15.432 -10.736 1.00 0.00 N ATOM 882 CA GLY A 58 -16.293 15.483 -11.283 1.00 0.00 C ATOM 883 C GLY A 58 -17.347 15.079 -10.271 1.00 0.00 C ATOM 884 O GLY A 58 -18.526 15.391 -10.435 1.00 0.00 O ATOM 0 H GLY A 58 -14.265 14.959 -11.325 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.500 16.493 -11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.354 14.825 -12.149 1.00 0.00 H new ATOM 888 N TRP A 59 -16.922 14.383 -9.223 1.00 0.00 N ATOM 889 CA TRP A 59 -17.838 13.934 -8.181 1.00 0.00 C ATOM 890 C TRP A 59 -18.108 15.049 -7.176 1.00 0.00 C ATOM 891 O TRP A 59 -19.251 15.467 -6.991 1.00 0.00 O ATOM 892 CB TRP A 59 -17.267 12.710 -7.463 1.00 0.00 C ATOM 893 CG TRP A 59 -17.949 12.413 -6.162 1.00 0.00 C ATOM 894 CD1 TRP A 59 -17.829 13.112 -4.995 1.00 0.00 C ATOM 895 CD2 TRP A 59 -18.855 11.337 -5.896 1.00 0.00 C ATOM 896 NE1 TRP A 59 -18.606 12.535 -4.019 1.00 0.00 N ATOM 897 CE2 TRP A 59 -19.246 11.445 -4.547 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.376 10.294 -6.666 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -20.132 10.549 -3.955 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.254 9.405 -6.077 1.00 0.00 C ATOM 901 CH2 TRP A 59 -20.626 9.537 -4.732 1.00 0.00 C ATOM 0 H TRP A 59 -15.949 14.117 -9.072 1.00 0.00 H new ATOM 0 HA TRP A 59 -18.781 13.661 -8.654 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.352 11.842 -8.116 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.204 12.868 -7.280 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -17.214 13.989 -4.859 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -18.692 12.865 -3.058 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -19.097 10.185 -7.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -20.419 10.649 -2.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.661 8.594 -6.663 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.316 8.826 -4.301 1.00 0.00 H new ATOM 912 N ARG A 60 -17.049 15.526 -6.530 1.00 0.00 N ATOM 913 CA ARG A 60 -17.173 16.592 -5.544 1.00 0.00 C ATOM 914 C ARG A 60 -17.726 17.863 -6.182 1.00 0.00 C ATOM 915 O ARG A 60 -18.390 18.662 -5.523 1.00 0.00 O ATOM 916 CB ARG A 60 -15.815 16.881 -4.901 1.00 0.00 C ATOM 917 CG ARG A 60 -14.963 17.860 -5.692 1.00 0.00 C ATOM 918 CD ARG A 60 -13.725 18.277 -4.913 1.00 0.00 C ATOM 919 NE ARG A 60 -12.592 17.392 -5.171 1.00 0.00 N ATOM 920 CZ ARG A 60 -11.838 17.463 -6.263 1.00 0.00 C ATOM 921 NH1 ARG A 60 -12.096 18.374 -7.192 1.00 0.00 N ATOM 922 NH2 ARG A 60 -10.824 16.623 -6.427 1.00 0.00 N ATOM 0 H ARG A 60 -16.096 15.191 -6.672 1.00 0.00 H new ATOM 0 HA ARG A 60 -17.870 16.260 -4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -15.974 17.278 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.269 15.944 -4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.664 17.404 -6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.554 18.742 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.455 19.299 -5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.950 18.276 -3.847 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.367 16.681 -4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.874 19.022 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.516 18.427 -8.029 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.622 15.922 -5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.246 16.679 -7.266 1.00 0.00 H new ATOM 936 N GLU A 61 -17.447 18.042 -7.470 1.00 0.00 N ATOM 937 CA GLU A 61 -17.916 19.216 -8.197 1.00 0.00 C ATOM 938 C GLU A 61 -19.420 19.402 -8.017 1.00 0.00 C ATOM 939 O GLU A 61 -19.905 20.524 -7.869 1.00 0.00 O ATOM 940 CB GLU A 61 -17.580 19.090 -9.684 1.00 0.00 C ATOM 941 CG GLU A 61 -16.153 19.488 -10.021 1.00 0.00 C ATOM 942 CD GLU A 61 -15.959 19.767 -11.499 1.00 0.00 C ATOM 943 OE1 GLU A 61 -16.777 19.278 -12.307 1.00 0.00 O ATOM 944 OE2 GLU A 61 -14.990 20.472 -11.849 1.00 0.00 O ATOM 0 H GLU A 61 -16.899 17.389 -8.031 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.408 20.091 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.745 18.060 -9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.267 19.713 -10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.883 20.376 -9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.475 18.692 -9.713 1.00 0.00 H new ATOM 951 N LEU A 62 -20.153 18.294 -8.033 1.00 0.00 N ATOM 952 CA LEU A 62 -21.603 18.333 -7.873 1.00 0.00 C ATOM 953 C LEU A 62 -22.005 17.935 -6.457 1.00 0.00 C ATOM 954 O LEU A 62 -22.693 18.684 -5.762 1.00 0.00 O ATOM 955 CB LEU A 62 -22.273 17.403 -8.886 1.00 0.00 C ATOM 956 CG LEU A 62 -22.360 17.925 -10.321 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.331 16.772 -11.311 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.618 18.761 -10.508 1.00 0.00 C ATOM 0 H LEU A 62 -19.767 17.358 -8.155 1.00 0.00 H new ATOM 0 HA LEU A 62 -21.936 19.355 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.730 16.458 -8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.283 17.186 -8.538 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.494 18.560 -10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -22.394 17.163 -12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.402 16.215 -11.193 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.177 16.110 -11.124 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.664 19.124 -11.535 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.496 18.149 -10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.596 19.609 -9.824 1.00 0.00 H new ATOM 970 N HIS A 63 -21.570 16.753 -6.033 1.00 0.00 N ATOM 971 CA HIS A 63 -21.882 16.256 -4.698 1.00 0.00 C ATOM 972 C HIS A 63 -21.445 17.255 -3.631 1.00 0.00 C ATOM 973 O HIS A 63 -22.248 17.688 -2.806 1.00 0.00 O ATOM 974 CB HIS A 63 -21.202 14.908 -4.460 1.00 0.00 C ATOM 975 CG HIS A 63 -22.013 13.737 -4.924 1.00 0.00 C ATOM 976 ND1 HIS A 63 -22.755 12.950 -4.069 1.00 0.00 N ATOM 977 CD2 HIS A 63 -22.198 13.224 -6.163 1.00 0.00 C ATOM 978 CE1 HIS A 63 -23.359 12.001 -4.762 1.00 0.00 C ATOM 979 NE2 HIS A 63 -23.038 12.145 -6.035 1.00 0.00 N ATOM 0 H HIS A 63 -21.000 16.121 -6.595 1.00 0.00 H new ATOM 0 HA HIS A 63 -22.962 16.126 -4.629 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.241 14.900 -4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -20.996 14.797 -3.395 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -21.766 13.594 -7.081 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -24.006 11.237 -4.356 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -23.361 11.551 -6.799 1.00 0.00 H new ATOM 988 N GLY A 64 -20.166 17.616 -3.653 1.00 0.00 N ATOM 989 CA GLY A 64 -19.644 18.561 -2.683 1.00 0.00 C ATOM 990 C GLY A 64 -18.404 18.045 -1.981 1.00 0.00 C ATOM 991 O GLY A 64 -17.705 17.162 -2.479 1.00 0.00 O ATOM 0 H GLY A 64 -19.481 17.271 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.410 19.500 -3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.413 18.779 -1.942 1.00 0.00 H new ATOM 995 N PRO A 65 -18.113 18.604 -0.797 1.00 0.00 N ATOM 996 CA PRO A 65 -16.947 18.212 -0.001 1.00 0.00 C ATOM 997 C PRO A 65 -17.089 16.811 0.585 1.00 0.00 C ATOM 998 O PRO A 65 -18.193 16.274 0.676 1.00 0.00 O ATOM 999 CB PRO A 65 -16.912 19.257 1.117 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.320 19.725 1.242 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.902 19.662 -0.143 1.00 0.00 C ATOM 0 HA PRO A 65 -16.038 18.179 -0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.554 18.825 2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.242 20.080 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.882 19.093 1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.360 20.740 1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.964 19.417 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.805 20.615 -0.663 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.965 16.223 0.981 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.965 14.884 1.558 1.00 0.00 C ATOM 1011 C PHE A 66 -15.776 14.943 3.071 1.00 0.00 C ATOM 1012 O PHE A 66 -14.677 15.199 3.561 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.859 14.035 0.928 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.890 14.027 -0.574 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -15.706 13.141 -1.258 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -14.104 14.907 -1.301 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -15.737 13.132 -2.640 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -14.130 14.902 -2.683 1.00 0.00 C ATOM 1019 CZ PHE A 66 -14.949 14.014 -3.353 1.00 0.00 C ATOM 0 H PHE A 66 -15.042 16.653 0.913 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.931 14.425 1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.891 14.409 1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.947 13.011 1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.325 12.450 -0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.464 15.605 -0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.377 12.436 -3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.511 15.591 -3.238 1.00 0.00 H new ATOM 0 HZ PHE A 66 -14.973 14.009 -4.433 1.00 0.00 H new ATOM 1029 N SER A 67 -16.858 14.705 3.806 1.00 0.00 N ATOM 1030 CA SER A 67 -16.815 14.736 5.263 1.00 0.00 C ATOM 1031 C SER A 67 -15.570 14.024 5.784 1.00 0.00 C ATOM 1032 O SER A 67 -15.047 14.364 6.845 1.00 0.00 O ATOM 1033 CB SER A 67 -18.070 14.083 5.846 1.00 0.00 C ATOM 1034 OG SER A 67 -19.242 14.613 5.252 1.00 0.00 O ATOM 0 H SER A 67 -17.775 14.489 3.416 1.00 0.00 H new ATOM 0 HA SER A 67 -16.776 15.779 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.032 13.006 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.100 14.243 6.924 1.00 0.00 H new ATOM 0 HG SER A 67 -20.030 14.179 5.640 1.00 0.00 H new ATOM 1040 N GLN A 68 -15.101 13.036 5.029 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.918 12.276 5.415 1.00 0.00 C ATOM 1042 C GLN A 68 -13.313 11.561 4.211 1.00 0.00 C ATOM 1043 O GLN A 68 -14.003 11.286 3.229 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.270 11.260 6.502 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.302 10.233 6.063 1.00 0.00 C ATOM 1046 CD GLN A 68 -16.131 9.707 7.219 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -17.264 10.139 7.433 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -15.568 8.769 7.972 1.00 0.00 N ATOM 0 H GLN A 68 -15.522 12.743 4.147 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.180 12.976 5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.362 10.742 6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.647 11.791 7.376 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.963 10.682 5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.795 9.400 5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.626 8.440 7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.077 8.377 8.764 1.00 0.00 H new ATOM 1057 N VAL A 69 -12.020 11.264 4.293 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.323 10.580 3.210 1.00 0.00 C ATOM 1059 C VAL A 69 -12.046 9.298 2.814 1.00 0.00 C ATOM 1060 O VAL A 69 -12.119 8.955 1.634 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.874 10.238 3.604 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.125 9.644 2.421 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.160 11.473 4.131 1.00 0.00 C ATOM 0 H VAL A 69 -11.434 11.486 5.098 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.310 11.263 2.361 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.898 9.493 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.103 9.409 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.626 8.733 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.108 10.364 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.137 11.213 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.145 12.242 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.686 11.851 5.008 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.580 8.594 3.807 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.297 7.349 3.561 1.00 0.00 C ATOM 1075 C GLU A 70 -14.364 7.539 2.487 1.00 0.00 C ATOM 1076 O GLU A 70 -14.642 6.630 1.705 1.00 0.00 O ATOM 1077 CB GLU A 70 -13.943 6.843 4.853 1.00 0.00 C ATOM 1078 CG GLU A 70 -14.347 5.379 4.798 1.00 0.00 C ATOM 1079 CD GLU A 70 -14.973 4.898 6.093 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -15.763 5.660 6.688 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -14.672 3.760 6.511 1.00 0.00 O ATOM 0 H GLU A 70 -12.529 8.865 4.789 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.578 6.609 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.247 6.988 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.824 7.447 5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.053 5.231 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.470 4.772 4.575 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.959 8.727 2.455 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.995 9.038 1.478 1.00 0.00 C ATOM 1090 C ASP A 71 -15.566 8.612 0.077 1.00 0.00 C ATOM 1091 O ASP A 71 -16.402 8.295 -0.770 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.309 10.535 1.495 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.746 10.829 1.111 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -18.592 9.918 1.234 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -18.025 11.970 0.688 1.00 0.00 O ATOM 0 H ASP A 71 -14.741 9.490 3.095 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.893 8.483 1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.113 10.933 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.639 11.052 0.808 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.259 8.608 -0.160 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.718 8.221 -1.459 1.00 0.00 C ATOM 1102 C LEU A 72 -14.404 6.963 -1.982 1.00 0.00 C ATOM 1103 O LEU A 72 -14.641 6.828 -3.182 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.209 7.988 -1.356 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.337 9.244 -1.329 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.880 8.876 -1.094 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.489 10.027 -2.625 1.00 0.00 C ATOM 0 H LEU A 72 -13.554 8.868 0.530 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.907 9.034 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.011 7.413 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.898 7.372 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.669 9.876 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.274 9.782 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.785 8.359 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.536 8.223 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.861 10.917 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.184 9.403 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.531 10.322 -2.752 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.721 6.047 -1.073 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.381 4.801 -1.443 1.00 0.00 C ATOM 1121 C GLU A 73 -16.629 5.074 -2.279 1.00 0.00 C ATOM 1122 O GLU A 73 -16.900 4.374 -3.255 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.756 4.004 -0.192 1.00 0.00 C ATOM 1124 CG GLU A 73 -16.154 2.567 -0.481 1.00 0.00 C ATOM 1125 CD GLU A 73 -17.516 2.460 -1.139 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -18.495 2.984 -0.567 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -17.603 1.852 -2.226 1.00 0.00 O ATOM 0 H GLU A 73 -14.532 6.144 -0.075 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.684 4.215 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.911 4.006 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.581 4.506 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.405 2.110 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.159 2.001 0.451 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.384 6.094 -1.887 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.604 6.459 -2.597 1.00 0.00 C ATOM 1136 C ARG A 74 -18.301 6.818 -4.049 1.00 0.00 C ATOM 1137 O ARG A 74 -19.008 6.397 -4.965 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.292 7.636 -1.903 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.795 7.309 -0.506 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.651 8.433 0.055 1.00 0.00 C ATOM 1141 NE ARG A 74 -22.027 8.368 -0.430 1.00 0.00 N ATOM 1142 CZ ARG A 74 -23.017 9.101 0.067 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -22.784 9.951 1.058 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -24.243 8.986 -0.427 1.00 0.00 N ATOM 0 H ARG A 74 -17.173 6.683 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.272 5.598 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.593 8.470 -1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -20.132 7.967 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.376 6.387 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.947 7.132 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.648 8.382 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.215 9.393 -0.221 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.239 7.724 -1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.843 10.043 1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.546 10.513 1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.426 8.334 -1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -25.002 9.550 -0.044 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.245 7.600 -4.252 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.847 8.016 -5.591 1.00 0.00 C ATOM 1160 C VAL A 75 -17.068 6.897 -6.602 1.00 0.00 C ATOM 1161 O VAL A 75 -16.944 5.718 -6.274 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.368 8.444 -5.630 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -14.930 8.720 -7.060 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.144 9.664 -4.750 1.00 0.00 C ATOM 0 H VAL A 75 -16.650 7.958 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.471 8.870 -5.856 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.760 7.627 -5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.882 9.021 -7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -15.053 7.817 -7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.541 9.520 -7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.094 9.953 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.761 10.489 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.417 9.426 -3.722 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.396 7.275 -7.834 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.634 6.302 -8.893 1.00 0.00 C ATOM 1176 C GLU A 76 -16.323 5.685 -9.370 1.00 0.00 C ATOM 1177 O GLU A 76 -15.378 6.394 -9.713 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.357 6.962 -10.070 1.00 0.00 C ATOM 1179 CG GLU A 76 -18.900 5.970 -11.084 1.00 0.00 C ATOM 1180 CD GLU A 76 -19.526 4.753 -10.432 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -20.250 4.922 -9.429 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -19.291 3.630 -10.926 1.00 0.00 O ATOM 0 H GLU A 76 -17.503 8.247 -8.123 1.00 0.00 H new ATOM 0 HA GLU A 76 -18.263 5.509 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -19.180 7.565 -9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.670 7.643 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.643 6.465 -11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.092 5.650 -11.742 1.00 0.00 H new ATOM 1189 N GLY A 77 -16.273 4.356 -9.388 1.00 0.00 N ATOM 1190 CA GLY A 77 -15.074 3.664 -9.823 1.00 0.00 C ATOM 1191 C GLY A 77 -14.172 3.283 -8.666 1.00 0.00 C ATOM 1192 O GLY A 77 -13.668 2.161 -8.607 1.00 0.00 O ATOM 0 H GLY A 77 -17.042 3.747 -9.109 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.356 2.765 -10.371 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.522 4.300 -10.516 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.968 4.218 -7.744 1.00 0.00 N ATOM 1197 CA ILE A 78 -13.121 3.973 -6.584 1.00 0.00 C ATOM 1198 C ILE A 78 -13.842 3.119 -5.546 1.00 0.00 C ATOM 1199 O ILE A 78 -14.936 3.461 -5.096 1.00 0.00 O ATOM 1200 CB ILE A 78 -12.673 5.292 -5.926 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.962 6.181 -6.947 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -11.765 5.009 -4.738 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.639 7.563 -6.424 1.00 0.00 C ATOM 0 H ILE A 78 -14.378 5.152 -7.778 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.242 3.438 -6.943 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.556 5.820 -5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.038 5.694 -7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.589 6.274 -7.834 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.457 5.950 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.303 4.410 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.884 4.463 -5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.136 8.138 -7.201 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.561 8.069 -6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.987 7.480 -5.555 1.00 0.00 H new ATOM 1215 N THR A 79 -13.221 2.006 -5.169 1.00 0.00 N ATOM 1216 CA THR A 79 -13.803 1.103 -4.183 1.00 0.00 C ATOM 1217 C THR A 79 -13.267 1.394 -2.786 1.00 0.00 C ATOM 1218 O THR A 79 -12.385 2.234 -2.612 1.00 0.00 O ATOM 1219 CB THR A 79 -13.519 -0.369 -4.534 1.00 0.00 C ATOM 1220 OG1 THR A 79 -12.290 -0.789 -3.929 1.00 0.00 O ATOM 1221 CG2 THR A 79 -13.438 -0.561 -6.041 1.00 0.00 C ATOM 0 H THR A 79 -12.315 1.708 -5.531 1.00 0.00 H new ATOM 0 HA THR A 79 -14.880 1.271 -4.197 1.00 0.00 H new ATOM 0 HB THR A 79 -14.339 -0.975 -4.150 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.117 -1.727 -4.156 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.237 -1.609 -6.264 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.384 -0.268 -6.496 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.635 0.056 -6.444 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.805 0.693 -1.793 1.00 0.00 N ATOM 1230 CA GLY A 80 -13.366 0.891 -0.424 1.00 0.00 C ATOM 1231 C GLY A 80 -11.974 0.346 -0.176 1.00 0.00 C ATOM 1232 O GLY A 80 -11.252 0.837 0.692 1.00 0.00 O ATOM 0 H GLY A 80 -14.536 -0.008 -1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.383 1.956 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.069 0.406 0.253 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.594 -0.673 -0.940 1.00 0.00 N ATOM 1237 CA LYS A 81 -10.279 -1.286 -0.800 1.00 0.00 C ATOM 1238 C LYS A 81 -9.231 -0.514 -1.596 1.00 0.00 C ATOM 1239 O LYS A 81 -8.049 -0.522 -1.254 1.00 0.00 O ATOM 1240 CB LYS A 81 -10.320 -2.742 -1.269 1.00 0.00 C ATOM 1241 CG LYS A 81 -10.830 -3.707 -0.213 1.00 0.00 C ATOM 1242 CD LYS A 81 -12.337 -3.604 -0.044 1.00 0.00 C ATOM 1243 CE LYS A 81 -13.073 -4.271 -1.196 1.00 0.00 C ATOM 1244 NZ LYS A 81 -14.492 -3.826 -1.279 1.00 0.00 N ATOM 0 H LYS A 81 -12.179 -1.092 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.003 -1.258 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.956 -2.813 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.318 -3.045 -1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.563 -4.727 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.341 -3.498 0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.632 -4.070 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.627 -2.555 0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.565 -4.042 -2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.038 -5.353 -1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.959 -4.303 -2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.984 -4.067 -0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.525 -2.797 -1.424 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.674 0.152 -2.658 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.773 0.929 -3.502 1.00 0.00 C ATOM 1260 C GLN A 82 -8.289 2.179 -2.774 1.00 0.00 C ATOM 1261 O GLN A 82 -7.088 2.435 -2.693 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.473 1.322 -4.804 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.331 0.286 -5.907 1.00 0.00 C ATOM 1264 CD GLN A 82 -7.885 -0.081 -6.181 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -7.363 -1.048 -5.626 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -7.230 0.692 -7.039 1.00 0.00 N ATOM 0 H GLN A 82 -10.650 0.169 -2.954 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.908 0.308 -3.736 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.532 1.484 -4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.066 2.271 -5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.883 -0.612 -5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.784 0.670 -6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.702 1.483 -7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.254 0.494 -7.261 1.00 0.00 H new ATOM 1275 N MET A 83 -9.231 2.953 -2.246 1.00 0.00 N ATOM 1276 CA MET A 83 -8.899 4.176 -1.523 1.00 0.00 C ATOM 1277 C MET A 83 -7.953 3.882 -0.363 1.00 0.00 C ATOM 1278 O MET A 83 -7.069 4.680 -0.056 1.00 0.00 O ATOM 1279 CB MET A 83 -10.171 4.847 -1.002 1.00 0.00 C ATOM 1280 CG MET A 83 -10.886 4.043 0.072 1.00 0.00 C ATOM 1281 SD MET A 83 -10.133 4.235 1.699 1.00 0.00 S ATOM 1282 CE MET A 83 -10.405 5.981 1.994 1.00 0.00 C ATOM 0 H MET A 83 -10.230 2.756 -2.305 1.00 0.00 H new ATOM 0 HA MET A 83 -8.397 4.853 -2.215 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.916 5.828 -0.601 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.853 5.011 -1.836 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.929 4.355 0.120 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.881 2.989 -0.205 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.560 6.150 3.060 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.535 6.546 1.659 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.286 6.310 1.443 1.00 0.00 H new ATOM 1292 N GLU A 84 -8.147 2.733 0.276 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.311 2.336 1.403 1.00 0.00 C ATOM 1294 C GLU A 84 -5.836 2.333 1.012 1.00 0.00 C ATOM 1295 O GLU A 84 -5.065 3.187 1.450 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.719 0.950 1.906 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.992 0.954 2.736 1.00 0.00 C ATOM 1298 CD GLU A 84 -9.566 -0.436 2.930 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -9.042 -1.385 2.311 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -10.540 -0.574 3.699 1.00 0.00 O ATOM 0 H GLU A 84 -8.875 2.061 0.033 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.456 3.062 2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.855 0.288 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.907 0.536 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.785 1.397 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.736 1.586 2.251 1.00 0.00 H new ATOM 1307 N SER A 85 -5.451 1.367 0.184 1.00 0.00 N ATOM 1308 CA SER A 85 -4.068 1.249 -0.263 1.00 0.00 C ATOM 1309 C SER A 85 -3.474 2.623 -0.558 1.00 0.00 C ATOM 1310 O SER A 85 -2.335 2.912 -0.190 1.00 0.00 O ATOM 1311 CB SER A 85 -3.987 0.368 -1.511 1.00 0.00 C ATOM 1312 OG SER A 85 -4.063 -1.006 -1.171 1.00 0.00 O ATOM 0 H SER A 85 -6.077 0.655 -0.191 1.00 0.00 H new ATOM 0 HA SER A 85 -3.491 0.787 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.798 0.623 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.054 0.564 -2.039 1.00 0.00 H new ATOM 0 HG SER A 85 -4.011 -1.548 -1.986 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.254 3.468 -1.224 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.806 4.812 -1.570 1.00 0.00 C ATOM 1320 C PHE A 86 -3.377 5.580 -0.323 1.00 0.00 C ATOM 1321 O PHE A 86 -2.229 6.013 -0.211 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.919 5.573 -2.293 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.852 7.061 -2.099 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.702 7.764 -2.420 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.939 7.757 -1.596 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.637 9.132 -2.241 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.881 9.126 -1.415 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.728 9.815 -1.740 1.00 0.00 C ATOM 0 H PHE A 86 -5.200 3.246 -1.535 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.946 4.722 -2.234 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.867 5.351 -3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.884 5.212 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.846 7.236 -2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.843 7.223 -1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.733 9.667 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.735 9.656 -1.020 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.680 10.885 -1.603 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.306 5.745 0.612 1.00 0.00 N ATOM 1339 CA LEU A 87 -4.025 6.461 1.852 1.00 0.00 C ATOM 1340 C LEU A 87 -2.612 6.164 2.344 1.00 0.00 C ATOM 1341 O LEU A 87 -1.781 7.066 2.462 1.00 0.00 O ATOM 1342 CB LEU A 87 -5.043 6.077 2.927 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.373 6.830 2.891 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.494 5.959 3.439 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.272 8.129 3.677 1.00 0.00 C ATOM 0 H LEU A 87 -5.260 5.393 0.535 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.103 7.530 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.250 5.010 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.586 6.233 3.904 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.603 7.073 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.433 6.511 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.582 5.056 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.271 5.685 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.228 8.652 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.019 7.908 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.497 8.759 3.240 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.344 4.894 2.628 1.00 0.00 N ATOM 1358 CA LYS A 88 -1.031 4.476 3.103 1.00 0.00 C ATOM 1359 C LYS A 88 0.075 5.052 2.225 1.00 0.00 C ATOM 1360 O LYS A 88 1.012 5.678 2.720 1.00 0.00 O ATOM 1361 CB LYS A 88 -0.936 2.949 3.125 1.00 0.00 C ATOM 1362 CG LYS A 88 0.476 2.430 3.341 1.00 0.00 C ATOM 1363 CD LYS A 88 0.471 1.014 3.892 1.00 0.00 C ATOM 1364 CE LYS A 88 0.484 -0.018 2.774 1.00 0.00 C ATOM 1365 NZ LYS A 88 1.755 0.018 2.000 1.00 0.00 N ATOM 0 H LYS A 88 -3.020 4.136 2.537 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.901 4.857 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.580 2.565 3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.318 2.556 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.021 2.452 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.005 3.088 4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.340 0.869 4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.412 0.867 4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.344 -1.013 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.355 0.164 2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.929 -0.915 1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.684 0.734 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.542 0.260 2.636 1.00 0.00 H new ATOM 1379 N ALA A 89 -0.042 4.838 0.918 1.00 0.00 N ATOM 1380 CA ALA A 89 0.946 5.340 -0.029 1.00 0.00 C ATOM 1381 C ALA A 89 1.450 6.719 0.381 1.00 0.00 C ATOM 1382 O ALA A 89 2.650 6.926 0.555 1.00 0.00 O ATOM 1383 CB ALA A 89 0.357 5.387 -1.431 1.00 0.00 C ATOM 0 H ALA A 89 -0.811 4.321 0.492 1.00 0.00 H new ATOM 0 HA ALA A 89 1.795 4.656 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.106 5.764 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.053 4.384 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.511 6.047 -1.439 1.00 0.00 H new ATOM 1389 N ASN A 90 0.524 7.661 0.534 1.00 0.00 N ATOM 1390 CA ASN A 90 0.875 9.022 0.923 1.00 0.00 C ATOM 1391 C ASN A 90 1.265 9.083 2.397 1.00 0.00 C ATOM 1392 O ASN A 90 2.354 9.542 2.743 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.295 9.969 0.654 1.00 0.00 C ATOM 1394 CG ASN A 90 0.130 11.425 0.646 1.00 0.00 C ATOM 1395 OD1 ASN A 90 0.488 11.973 -0.397 1.00 0.00 O ATOM 1396 ND2 ASN A 90 0.091 12.059 1.812 1.00 0.00 N ATOM 0 H ASN A 90 -0.475 7.506 0.395 1.00 0.00 H new ATOM 0 HA ASN A 90 1.731 9.335 0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.747 9.720 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.061 9.821 1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.364 13.040 1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.212 11.565 2.651 1.00 0.00 H new ATOM 1403 N ILE A 91 0.369 8.617 3.260 1.00 0.00 N ATOM 1404 CA ILE A 91 0.619 8.617 4.696 1.00 0.00 C ATOM 1405 C ILE A 91 2.048 8.183 5.004 1.00 0.00 C ATOM 1406 O ILE A 91 2.862 8.978 5.477 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.359 7.688 5.438 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.751 8.320 5.498 1.00 0.00 C ATOM 1409 CG2 ILE A 91 0.153 7.390 6.839 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -2.816 7.388 6.034 1.00 0.00 C ATOM 0 H ILE A 91 -0.537 8.234 2.990 1.00 0.00 H new ATOM 0 HA ILE A 91 0.469 9.639 5.043 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.430 6.748 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.710 9.211 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.036 8.647 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.549 6.732 7.351 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.126 6.903 6.775 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.250 8.321 7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.777 7.903 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.885 6.508 5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.554 7.080 7.046 1.00 0.00 H new ATOM 1422 N LEU A 92 2.348 6.918 4.732 1.00 0.00 N ATOM 1423 CA LEU A 92 3.680 6.377 4.979 1.00 0.00 C ATOM 1424 C LEU A 92 4.737 7.160 4.207 1.00 0.00 C ATOM 1425 O LEU A 92 5.879 7.283 4.649 1.00 0.00 O ATOM 1426 CB LEU A 92 3.734 4.900 4.584 1.00 0.00 C ATOM 1427 CG LEU A 92 2.997 3.931 5.509 1.00 0.00 C ATOM 1428 CD1 LEU A 92 3.231 2.493 5.070 1.00 0.00 C ATOM 1429 CD2 LEU A 92 3.440 4.129 6.951 1.00 0.00 C ATOM 0 H LEU A 92 1.687 6.247 4.340 1.00 0.00 H new ATOM 0 HA LEU A 92 3.891 6.470 6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.321 4.798 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.780 4.597 4.531 1.00 0.00 H new ATOM 0 HG LEU A 92 1.929 4.140 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.699 1.817 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.864 2.359 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.298 2.271 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.905 3.431 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.512 3.948 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.221 5.150 7.262 1.00 0.00 H new ATOM 1441 N GLY A 93 4.347 7.691 3.052 1.00 0.00 N ATOM 1442 CA GLY A 93 5.272 8.458 2.238 1.00 0.00 C ATOM 1443 C GLY A 93 5.706 9.746 2.910 1.00 0.00 C ATOM 1444 O GLY A 93 6.866 10.147 2.811 1.00 0.00 O ATOM 0 H GLY A 93 3.407 7.604 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.151 7.850 2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.803 8.691 1.282 1.00 0.00 H new ATOM 1448 N LEU A 94 4.772 10.396 3.595 1.00 0.00 N ATOM 1449 CA LEU A 94 5.063 11.648 4.286 1.00 0.00 C ATOM 1450 C LEU A 94 6.331 11.526 5.125 1.00 0.00 C ATOM 1451 O LEU A 94 7.156 12.438 5.158 1.00 0.00 O ATOM 1452 CB LEU A 94 3.885 12.048 5.177 1.00 0.00 C ATOM 1453 CG LEU A 94 2.740 12.787 4.484 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.428 12.544 5.214 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.039 14.277 4.402 1.00 0.00 C ATOM 0 H LEU A 94 3.807 10.078 3.687 1.00 0.00 H new ATOM 0 HA LEU A 94 5.221 12.421 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.482 11.147 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.262 12.678 5.983 1.00 0.00 H new ATOM 0 HG LEU A 94 2.645 12.400 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.625 13.078 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.207 11.477 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.510 12.903 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.213 14.787 3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.162 14.679 5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.956 14.433 3.834 1.00 0.00 H new ATOM 1467 N ALA A 95 6.480 10.390 5.800 1.00 0.00 N ATOM 1468 CA ALA A 95 7.649 10.147 6.635 1.00 0.00 C ATOM 1469 C ALA A 95 7.817 8.659 6.924 1.00 0.00 C ATOM 1470 O ALA A 95 7.027 8.067 7.659 1.00 0.00 O ATOM 1471 CB ALA A 95 7.542 10.930 7.935 1.00 0.00 C ATOM 0 H ALA A 95 5.806 9.625 5.784 1.00 0.00 H new ATOM 0 HA ALA A 95 8.530 10.487 6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.422 10.739 8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.479 11.995 7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.648 10.618 8.475 1.00 0.00 H new ATOM 1477 N ALA A 96 8.850 8.060 6.341 1.00 0.00 N ATOM 1478 CA ALA A 96 9.121 6.641 6.537 1.00 0.00 C ATOM 1479 C ALA A 96 10.070 6.421 7.710 1.00 0.00 C ATOM 1480 O ALA A 96 11.289 6.442 7.548 1.00 0.00 O ATOM 1481 CB ALA A 96 9.699 6.034 5.267 1.00 0.00 C ATOM 0 H ALA A 96 9.513 8.535 5.729 1.00 0.00 H new ATOM 0 HA ALA A 96 8.179 6.144 6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.897 4.974 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.986 6.151 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 96 10.629 6.542 5.012 1.00 0.00 H new ATOM 1487 N GLY A 97 9.501 6.210 8.894 1.00 0.00 N ATOM 1488 CA GLY A 97 10.312 5.990 10.077 1.00 0.00 C ATOM 1489 C GLY A 97 9.837 6.804 11.265 1.00 0.00 C ATOM 1490 O GLY A 97 9.952 6.367 12.410 1.00 0.00 O ATOM 0 H GLY A 97 8.494 6.188 9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.293 4.931 10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.348 6.246 9.856 1.00 0.00 H new ATOM 1494 N GLN A 98 9.303 7.990 10.992 1.00 0.00 N ATOM 1495 CA GLN A 98 8.811 8.867 12.048 1.00 0.00 C ATOM 1496 C GLN A 98 7.482 8.363 12.600 1.00 0.00 C ATOM 1497 O GLN A 98 6.753 9.101 13.262 1.00 0.00 O ATOM 1498 CB GLN A 98 8.650 10.294 11.521 1.00 0.00 C ATOM 1499 CG GLN A 98 9.860 10.799 10.752 1.00 0.00 C ATOM 1500 CD GLN A 98 9.829 12.299 10.535 1.00 0.00 C ATOM 1501 OE1 GLN A 98 9.002 12.812 9.782 1.00 0.00 O ATOM 1502 NE2 GLN A 98 10.734 13.012 11.197 1.00 0.00 N ATOM 0 H GLN A 98 9.200 8.366 10.049 1.00 0.00 H new ATOM 0 HA GLN A 98 9.542 8.866 12.856 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.775 10.336 10.873 1.00 0.00 H new ATOM 0 HB3 GLN A 98 8.458 10.963 12.360 1.00 0.00 H new ATOM 0 HG2 GLN A 98 10.767 10.533 11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 98 9.907 10.297 9.786 1.00 0.00 H new ATOM 0 HE21 GLN A 98 11.401 12.545 11.811 1.00 0.00 H new ATOM 0 HE22 GLN A 98 10.761 14.026 11.091 1.00 0.00 H new TER 1511 GLN A 98