USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 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 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 1.12 (180deg=1.04) USER MOD Single : A 31 GLN : amide:sc= -1.81! C(o=-1.8!,f=-7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -20:sc= 0.658 USER MOD Single : A 43 ASN : amide:sc= 0.149 X(o=0.15,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -16:sc= 0.173 USER MOD Single : A 47 SER OG : rot 180:sc= -0.153 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.257 K(o=-0.26,f=-3.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 162:sc= -1.74 (180deg=-2.57!) USER MOD Single : A 65 LYS NZ :NH3+ 145:sc= 1.16 (180deg=0.543) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= -0.0532 (180deg=-0.268) USER MOD Single : A 73 MET CE :methyl 164:sc= -5.02! (180deg=-5.61!) USER MOD Single : A 74 ASN : amide:sc= 1.19 K(o=1.2,f=-0.31) USER MOD Single : A 76 TYR OH : rot 79:sc= 1.17 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 137:sc= -0.459 (180deg=-2.5!) USER MOD Single : A 94 THR OG1 : rot -71:sc= -3.11! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= 2.25 (180deg=1.68) USER MOD Single : A 99 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 27 18.236 1.090 1.204 1.00 1.84 N ATOM 34 CA GLU A 27 17.783 2.426 0.835 1.00 1.64 C ATOM 35 C GLU A 27 17.293 2.482 -0.608 1.00 1.38 C ATOM 36 O GLU A 27 16.345 3.202 -0.907 1.00 1.18 O ATOM 37 CB GLU A 27 18.901 3.439 1.052 1.00 1.82 C ATOM 38 CG GLU A 27 19.166 3.730 2.518 1.00 2.09 C ATOM 39 CD GLU A 27 18.097 4.594 3.149 1.00 2.19 C ATOM 40 OE1 GLU A 27 17.847 5.707 2.639 1.00 2.50 O ATOM 41 OE2 GLU A 27 17.503 4.169 4.158 1.00 2.66 O ATOM 0 HA GLU A 27 16.939 2.677 1.478 1.00 1.64 H new ATOM 0 HB2 GLU A 27 19.815 3.066 0.591 1.00 1.82 H new ATOM 0 HB3 GLU A 27 18.644 4.369 0.544 1.00 1.82 H new ATOM 0 HG2 GLU A 27 19.234 2.789 3.063 1.00 2.09 H new ATOM 0 HG3 GLU A 27 20.132 4.226 2.616 1.00 2.09 H new ATOM 48 N GLU A 28 17.920 1.710 -1.497 1.00 1.45 N ATOM 49 CA GLU A 28 17.515 1.702 -2.902 1.00 1.33 C ATOM 50 C GLU A 28 16.082 1.194 -3.036 1.00 1.15 C ATOM 51 O GLU A 28 15.256 1.796 -3.723 1.00 1.01 O ATOM 52 CB GLU A 28 18.461 0.842 -3.747 1.00 1.59 C ATOM 53 CG GLU A 28 18.516 -0.618 -3.327 1.00 1.83 C ATOM 54 CD GLU A 28 19.206 -1.488 -4.352 1.00 2.29 C ATOM 55 OE1 GLU A 28 20.442 -1.643 -4.270 1.00 2.57 O ATOM 56 OE2 GLU A 28 18.517 -2.015 -5.250 1.00 2.53 O ATOM 0 H GLU A 28 18.699 1.091 -1.273 1.00 1.45 H new ATOM 0 HA GLU A 28 17.566 2.726 -3.273 1.00 1.33 H new ATOM 0 HB2 GLU A 28 18.150 0.897 -4.790 1.00 1.59 H new ATOM 0 HB3 GLU A 28 19.465 1.263 -3.691 1.00 1.59 H new ATOM 0 HG2 GLU A 28 19.039 -0.699 -2.374 1.00 1.83 H new ATOM 0 HG3 GLU A 28 17.502 -0.985 -3.166 1.00 1.83 H new ATOM 63 N GLN A 29 15.799 0.089 -2.357 1.00 1.23 N ATOM 64 CA GLN A 29 14.478 -0.496 -2.340 1.00 1.11 C ATOM 65 C GLN A 29 13.484 0.484 -1.742 1.00 0.88 C ATOM 66 O GLN A 29 12.378 0.651 -2.253 1.00 0.73 O ATOM 67 CB GLN A 29 14.501 -1.769 -1.512 1.00 1.29 C ATOM 68 CG GLN A 29 15.675 -2.676 -1.820 1.00 1.88 C ATOM 69 CD GLN A 29 15.620 -3.959 -1.021 1.00 2.64 C ATOM 70 OE1 GLN A 29 16.165 -4.042 0.078 1.00 3.15 O ATOM 71 NE2 GLN A 29 14.943 -4.957 -1.558 1.00 3.30 N ATOM 0 H GLN A 29 16.486 -0.423 -1.803 1.00 1.23 H new ATOM 0 HA GLN A 29 14.175 -0.729 -3.361 1.00 1.11 H new ATOM 0 HB2 GLN A 29 14.526 -1.504 -0.455 1.00 1.29 H new ATOM 0 HB3 GLN A 29 13.575 -2.318 -1.681 1.00 1.29 H new ATOM 0 HG2 GLN A 29 15.683 -2.911 -2.884 1.00 1.88 H new ATOM 0 HG3 GLN A 29 16.606 -2.152 -1.602 1.00 1.88 H new ATOM 0 HE21 GLN A 29 14.507 -4.843 -2.473 1.00 3.30 H new ATOM 0 HE22 GLN A 29 14.856 -5.842 -1.058 1.00 3.30 H new ATOM 80 N LYS A 30 13.898 1.132 -0.658 1.00 0.95 N ATOM 81 CA LYS A 30 13.089 2.153 -0.012 1.00 0.92 C ATOM 82 C LYS A 30 12.705 3.235 -0.991 1.00 0.75 C ATOM 83 O LYS A 30 11.546 3.629 -1.057 1.00 0.72 O ATOM 84 CB LYS A 30 13.839 2.764 1.168 1.00 1.20 C ATOM 85 CG LYS A 30 13.810 1.873 2.380 1.00 1.50 C ATOM 86 CD LYS A 30 14.816 2.282 3.443 1.00 1.83 C ATOM 87 CE LYS A 30 14.317 3.456 4.263 1.00 1.97 C ATOM 88 NZ LYS A 30 15.242 3.788 5.375 1.00 2.57 N ATOM 0 H LYS A 30 14.797 0.964 -0.207 1.00 0.95 H new ATOM 0 HA LYS A 30 12.180 1.677 0.355 1.00 0.92 H new ATOM 0 HB2 LYS A 30 14.874 2.952 0.881 1.00 1.20 H new ATOM 0 HB3 LYS A 30 13.397 3.729 1.417 1.00 1.20 H new ATOM 0 HG2 LYS A 30 12.809 1.887 2.811 1.00 1.50 H new ATOM 0 HG3 LYS A 30 14.011 0.846 2.074 1.00 1.50 H new ATOM 0 HD2 LYS A 30 15.015 1.436 4.101 1.00 1.83 H new ATOM 0 HD3 LYS A 30 15.761 2.545 2.968 1.00 1.83 H new ATOM 0 HE2 LYS A 30 14.199 4.326 3.617 1.00 1.97 H new ATOM 0 HE3 LYS A 30 13.332 3.224 4.667 1.00 1.97 H new ATOM 0 HZ1 LYS A 30 15.150 4.796 5.614 1.00 2.57 H new ATOM 0 HZ2 LYS A 30 15.005 3.212 6.208 1.00 2.57 H new ATOM 0 HZ3 LYS A 30 16.220 3.589 5.084 1.00 2.57 H new ATOM 102 N GLN A 31 13.678 3.699 -1.757 1.00 0.77 N ATOM 103 CA GLN A 31 13.440 4.765 -2.707 1.00 0.75 C ATOM 104 C GLN A 31 12.372 4.358 -3.716 1.00 0.64 C ATOM 105 O GLN A 31 11.491 5.146 -4.040 1.00 0.75 O ATOM 106 CB GLN A 31 14.728 5.155 -3.435 1.00 0.87 C ATOM 107 CG GLN A 31 15.815 5.706 -2.524 1.00 1.12 C ATOM 108 CD GLN A 31 15.437 7.013 -1.848 1.00 1.93 C ATOM 109 OE1 GLN A 31 14.266 7.287 -1.574 1.00 2.61 O ATOM 110 NE2 GLN A 31 16.436 7.827 -1.566 1.00 2.55 N ATOM 0 H GLN A 31 14.637 3.353 -1.738 1.00 0.77 H new ATOM 0 HA GLN A 31 13.086 5.632 -2.149 1.00 0.75 H new ATOM 0 HB2 GLN A 31 15.116 4.281 -3.958 1.00 0.87 H new ATOM 0 HB3 GLN A 31 14.492 5.901 -4.194 1.00 0.87 H new ATOM 0 HG2 GLN A 31 16.047 4.965 -1.759 1.00 1.12 H new ATOM 0 HG3 GLN A 31 16.724 5.857 -3.107 1.00 1.12 H new ATOM 0 HE21 GLN A 31 17.391 7.565 -1.809 1.00 2.55 H new ATOM 0 HE22 GLN A 31 16.253 8.718 -1.105 1.00 2.55 H new ATOM 119 N GLU A 32 12.449 3.114 -4.186 1.00 0.58 N ATOM 120 CA GLU A 32 11.452 2.567 -5.108 1.00 0.62 C ATOM 121 C GLU A 32 10.056 2.604 -4.485 1.00 0.56 C ATOM 122 O GLU A 32 9.061 2.843 -5.173 1.00 0.62 O ATOM 123 CB GLU A 32 11.807 1.124 -5.485 1.00 0.77 C ATOM 124 CG GLU A 32 13.070 0.994 -6.321 1.00 1.09 C ATOM 125 CD GLU A 32 12.944 1.667 -7.671 1.00 1.90 C ATOM 126 OE1 GLU A 32 12.473 1.017 -8.623 1.00 2.03 O ATOM 127 OE2 GLU A 32 13.320 2.852 -7.787 1.00 2.77 O ATOM 0 H GLU A 32 13.195 2.462 -3.943 1.00 0.58 H new ATOM 0 HA GLU A 32 11.452 3.184 -6.007 1.00 0.62 H new ATOM 0 HB2 GLU A 32 11.927 0.540 -4.572 1.00 0.77 H new ATOM 0 HB3 GLU A 32 10.973 0.688 -6.035 1.00 0.77 H new ATOM 0 HG2 GLU A 32 13.908 1.431 -5.778 1.00 1.09 H new ATOM 0 HG3 GLU A 32 13.299 -0.062 -6.465 1.00 1.09 H new ATOM 134 N ILE A 33 9.995 2.383 -3.181 1.00 0.51 N ATOM 135 CA ILE A 33 8.731 2.351 -2.456 1.00 0.51 C ATOM 136 C ILE A 33 8.111 3.747 -2.355 1.00 0.50 C ATOM 137 O ILE A 33 6.893 3.892 -2.314 1.00 0.54 O ATOM 138 CB ILE A 33 8.923 1.743 -1.046 1.00 0.53 C ATOM 139 CG1 ILE A 33 9.448 0.310 -1.175 1.00 0.59 C ATOM 140 CG2 ILE A 33 7.621 1.764 -0.258 1.00 0.55 C ATOM 141 CD1 ILE A 33 9.691 -0.377 0.147 1.00 0.68 C ATOM 0 H ILE A 33 10.815 2.221 -2.596 1.00 0.51 H new ATOM 0 HA ILE A 33 8.044 1.718 -3.018 1.00 0.51 H new ATOM 0 HB ILE A 33 9.649 2.346 -0.501 1.00 0.53 H new ATOM 0 HG12 ILE A 33 8.733 -0.277 -1.752 1.00 0.59 H new ATOM 0 HG13 ILE A 33 10.379 0.325 -1.741 1.00 0.59 H new ATOM 0 HG21 ILE A 33 7.786 1.331 0.729 1.00 0.55 H new ATOM 0 HG22 ILE A 33 7.278 2.793 -0.150 1.00 0.55 H new ATOM 0 HG23 ILE A 33 6.866 1.183 -0.788 1.00 0.55 H new ATOM 0 HD11 ILE A 33 10.061 -1.387 -0.030 1.00 0.68 H new ATOM 0 HD12 ILE A 33 10.429 0.185 0.719 1.00 0.68 H new ATOM 0 HD13 ILE A 33 8.758 -0.426 0.708 1.00 0.68 H new ATOM 153 N LYS A 34 8.946 4.775 -2.360 1.00 0.53 N ATOM 154 CA LYS A 34 8.453 6.154 -2.291 1.00 0.60 C ATOM 155 C LYS A 34 8.251 6.680 -3.683 1.00 0.54 C ATOM 156 O LYS A 34 7.364 7.490 -3.940 1.00 0.59 O ATOM 157 CB LYS A 34 9.409 7.068 -1.547 1.00 0.76 C ATOM 158 CG LYS A 34 10.585 6.341 -0.952 1.00 1.13 C ATOM 159 CD LYS A 34 10.944 6.886 0.397 1.00 1.13 C ATOM 160 CE LYS A 34 12.115 6.118 0.976 1.00 1.48 C ATOM 161 NZ LYS A 34 12.575 6.703 2.265 1.00 1.85 N ATOM 0 H LYS A 34 9.961 4.689 -2.411 1.00 0.53 H new ATOM 0 HA LYS A 34 7.511 6.140 -1.743 1.00 0.60 H new ATOM 0 HB2 LYS A 34 9.773 7.836 -2.230 1.00 0.76 H new ATOM 0 HB3 LYS A 34 8.867 7.580 -0.752 1.00 0.76 H new ATOM 0 HG2 LYS A 34 10.352 5.280 -0.866 1.00 1.13 H new ATOM 0 HG3 LYS A 34 11.442 6.426 -1.620 1.00 1.13 H new ATOM 0 HD2 LYS A 34 11.198 7.943 0.315 1.00 1.13 H new ATOM 0 HD3 LYS A 34 10.086 6.815 1.066 1.00 1.13 H new ATOM 0 HE2 LYS A 34 11.827 5.078 1.131 1.00 1.48 H new ATOM 0 HE3 LYS A 34 12.939 6.118 0.262 1.00 1.48 H new ATOM 0 HZ1 LYS A 34 13.377 6.151 2.630 1.00 1.85 H new ATOM 0 HZ2 LYS A 34 12.873 7.688 2.113 1.00 1.85 H new ATOM 0 HZ3 LYS A 34 11.796 6.680 2.954 1.00 1.85 H new ATOM 175 N GLU A 35 9.097 6.209 -4.572 1.00 0.52 N ATOM 176 CA GLU A 35 8.934 6.431 -5.983 1.00 0.58 C ATOM 177 C GLU A 35 7.529 5.982 -6.380 1.00 0.53 C ATOM 178 O GLU A 35 6.861 6.608 -7.202 1.00 0.58 O ATOM 179 CB GLU A 35 10.009 5.629 -6.715 1.00 0.72 C ATOM 180 CG GLU A 35 10.214 6.029 -8.165 1.00 1.17 C ATOM 181 CD GLU A 35 10.728 7.445 -8.321 1.00 1.51 C ATOM 182 OE1 GLU A 35 11.940 7.665 -8.123 1.00 1.97 O ATOM 183 OE2 GLU A 35 9.920 8.346 -8.626 1.00 2.02 O ATOM 0 H GLU A 35 9.921 5.658 -4.330 1.00 0.52 H new ATOM 0 HA GLU A 35 9.045 7.483 -6.245 1.00 0.58 H new ATOM 0 HB2 GLU A 35 10.954 5.741 -6.183 1.00 0.72 H new ATOM 0 HB3 GLU A 35 9.745 4.572 -6.677 1.00 0.72 H new ATOM 0 HG2 GLU A 35 10.918 5.339 -8.630 1.00 1.17 H new ATOM 0 HG3 GLU A 35 9.270 5.930 -8.701 1.00 1.17 H new ATOM 190 N ALA A 36 7.087 4.898 -5.747 1.00 0.47 N ATOM 191 CA ALA A 36 5.724 4.422 -5.885 1.00 0.45 C ATOM 192 C ALA A 36 4.775 5.196 -4.967 1.00 0.39 C ATOM 193 O ALA A 36 3.657 5.512 -5.362 1.00 0.40 O ATOM 194 CB ALA A 36 5.654 2.934 -5.583 1.00 0.52 C ATOM 0 H ALA A 36 7.666 4.331 -5.127 1.00 0.47 H new ATOM 0 HA ALA A 36 5.409 4.589 -6.915 1.00 0.45 H new ATOM 0 HB1 ALA A 36 4.626 2.589 -5.690 1.00 0.52 H new ATOM 0 HB2 ALA A 36 6.293 2.391 -6.279 1.00 0.52 H new ATOM 0 HB3 ALA A 36 5.993 2.753 -4.563 1.00 0.52 H new ATOM 200 N PHE A 37 5.230 5.507 -3.748 1.00 0.38 N ATOM 201 CA PHE A 37 4.420 6.225 -2.770 1.00 0.36 C ATOM 202 C PHE A 37 3.869 7.525 -3.355 1.00 0.37 C ATOM 203 O PHE A 37 2.660 7.748 -3.368 1.00 0.42 O ATOM 204 CB PHE A 37 5.273 6.522 -1.535 1.00 0.37 C ATOM 205 CG PHE A 37 4.521 7.144 -0.403 1.00 0.39 C ATOM 206 CD1 PHE A 37 3.379 6.550 0.097 1.00 0.44 C ATOM 207 CD2 PHE A 37 4.969 8.321 0.168 1.00 0.52 C ATOM 208 CE1 PHE A 37 2.692 7.120 1.145 1.00 0.52 C ATOM 209 CE2 PHE A 37 4.289 8.896 1.218 1.00 0.61 C ATOM 210 CZ PHE A 37 3.146 8.296 1.710 1.00 0.58 C ATOM 0 H PHE A 37 6.165 5.268 -3.418 1.00 0.38 H new ATOM 0 HA PHE A 37 3.571 5.601 -2.492 1.00 0.36 H new ATOM 0 HB2 PHE A 37 5.725 5.593 -1.188 1.00 0.37 H new ATOM 0 HB3 PHE A 37 6.089 7.186 -1.822 1.00 0.37 H new ATOM 0 HD1 PHE A 37 3.021 5.629 -0.339 1.00 0.44 H new ATOM 0 HD2 PHE A 37 5.862 8.794 -0.214 1.00 0.52 H new ATOM 0 HE1 PHE A 37 1.798 6.648 1.525 1.00 0.52 H new ATOM 0 HE2 PHE A 37 4.649 9.815 1.657 1.00 0.61 H new ATOM 0 HZ PHE A 37 2.610 8.745 2.533 1.00 0.58 H new ATOM 220 N ASP A 38 4.766 8.367 -3.858 1.00 0.39 N ATOM 221 CA ASP A 38 4.375 9.647 -4.448 1.00 0.46 C ATOM 222 C ASP A 38 3.551 9.424 -5.705 1.00 0.44 C ATOM 223 O ASP A 38 2.633 10.189 -6.002 1.00 0.53 O ATOM 224 CB ASP A 38 5.606 10.493 -4.792 1.00 0.57 C ATOM 225 CG ASP A 38 6.417 10.888 -3.575 1.00 1.20 C ATOM 226 OD1 ASP A 38 5.958 11.757 -2.808 1.00 1.20 O ATOM 227 OD2 ASP A 38 7.509 10.319 -3.362 1.00 2.10 O ATOM 0 H ASP A 38 5.770 8.188 -3.870 1.00 0.39 H new ATOM 0 HA ASP A 38 3.775 10.181 -3.711 1.00 0.46 H new ATOM 0 HB2 ASP A 38 6.242 9.935 -5.479 1.00 0.57 H new ATOM 0 HB3 ASP A 38 5.285 11.394 -5.315 1.00 0.57 H new ATOM 232 N LEU A 39 3.884 8.369 -6.439 1.00 0.40 N ATOM 233 CA LEU A 39 3.186 8.029 -7.669 1.00 0.43 C ATOM 234 C LEU A 39 1.723 7.675 -7.405 1.00 0.46 C ATOM 235 O LEU A 39 0.829 8.141 -8.109 1.00 0.55 O ATOM 236 CB LEU A 39 3.892 6.859 -8.358 1.00 0.46 C ATOM 237 CG LEU A 39 3.147 6.245 -9.542 1.00 0.53 C ATOM 238 CD1 LEU A 39 2.910 7.278 -10.629 1.00 1.27 C ATOM 239 CD2 LEU A 39 3.920 5.059 -10.091 1.00 1.09 C ATOM 0 H LEU A 39 4.641 7.729 -6.199 1.00 0.40 H new ATOM 0 HA LEU A 39 3.204 8.903 -8.320 1.00 0.43 H new ATOM 0 HB2 LEU A 39 4.869 7.199 -8.703 1.00 0.46 H new ATOM 0 HB3 LEU A 39 4.069 6.078 -7.618 1.00 0.46 H new ATOM 0 HG LEU A 39 2.175 5.897 -9.192 1.00 0.53 H new ATOM 0 HD11 LEU A 39 2.378 6.816 -11.461 1.00 1.27 H new ATOM 0 HD12 LEU A 39 2.314 8.098 -10.228 1.00 1.27 H new ATOM 0 HD13 LEU A 39 3.867 7.663 -10.980 1.00 1.27 H new ATOM 0 HD21 LEU A 39 3.378 4.631 -10.934 1.00 1.09 H new ATOM 0 HD22 LEU A 39 4.905 5.388 -10.422 1.00 1.09 H new ATOM 0 HD23 LEU A 39 4.032 4.306 -9.311 1.00 1.09 H new ATOM 251 N PHE A 40 1.484 6.859 -6.392 1.00 0.48 N ATOM 252 CA PHE A 40 0.142 6.368 -6.130 1.00 0.58 C ATOM 253 C PHE A 40 -0.692 7.377 -5.349 1.00 0.55 C ATOM 254 O PHE A 40 -1.917 7.284 -5.328 1.00 0.63 O ATOM 255 CB PHE A 40 0.190 5.025 -5.406 1.00 0.74 C ATOM 256 CG PHE A 40 0.830 3.938 -6.226 1.00 0.55 C ATOM 257 CD1 PHE A 40 0.450 3.739 -7.545 1.00 0.92 C ATOM 258 CD2 PHE A 40 1.804 3.118 -5.683 1.00 0.74 C ATOM 259 CE1 PHE A 40 1.030 2.745 -8.305 1.00 1.38 C ATOM 260 CE2 PHE A 40 2.387 2.119 -6.441 1.00 1.01 C ATOM 261 CZ PHE A 40 2.000 1.934 -7.752 1.00 1.36 C ATOM 0 H PHE A 40 2.196 6.525 -5.742 1.00 0.48 H new ATOM 0 HA PHE A 40 -0.346 6.224 -7.094 1.00 0.58 H new ATOM 0 HB2 PHE A 40 0.741 5.141 -4.473 1.00 0.74 H new ATOM 0 HB3 PHE A 40 -0.824 4.724 -5.142 1.00 0.74 H new ATOM 0 HD1 PHE A 40 -0.309 4.370 -7.982 1.00 0.92 H new ATOM 0 HD2 PHE A 40 2.112 3.260 -4.657 1.00 0.74 H new ATOM 0 HE1 PHE A 40 0.726 2.602 -9.331 1.00 1.38 H new ATOM 0 HE2 PHE A 40 3.145 1.484 -6.007 1.00 1.01 H new ATOM 0 HZ PHE A 40 2.456 1.155 -8.345 1.00 1.36 H new ATOM 271 N ASP A 41 -0.033 8.333 -4.700 1.00 0.53 N ATOM 272 CA ASP A 41 -0.750 9.433 -4.061 1.00 0.58 C ATOM 273 C ASP A 41 -1.437 10.263 -5.134 1.00 0.69 C ATOM 274 O ASP A 41 -0.781 10.927 -5.941 1.00 1.27 O ATOM 275 CB ASP A 41 0.200 10.316 -3.234 1.00 0.65 C ATOM 276 CG ASP A 41 -0.521 11.429 -2.478 1.00 0.86 C ATOM 277 OD1 ASP A 41 -1.387 12.106 -3.072 1.00 1.32 O ATOM 278 OD2 ASP A 41 -0.207 11.645 -1.284 1.00 1.23 O ATOM 0 H ASP A 41 0.982 8.369 -4.603 1.00 0.53 H new ATOM 0 HA ASP A 41 -1.491 9.019 -3.377 1.00 0.58 H new ATOM 0 HB2 ASP A 41 0.739 9.691 -2.522 1.00 0.65 H new ATOM 0 HB3 ASP A 41 0.944 10.758 -3.897 1.00 0.65 H new ATOM 283 N THR A 42 -2.754 10.214 -5.156 1.00 0.79 N ATOM 284 CA THR A 42 -3.510 10.897 -6.185 1.00 0.92 C ATOM 285 C THR A 42 -4.399 11.987 -5.593 1.00 1.07 C ATOM 286 O THR A 42 -5.338 12.454 -6.241 1.00 1.16 O ATOM 287 CB THR A 42 -4.373 9.896 -6.978 1.00 0.95 C ATOM 288 OG1 THR A 42 -5.181 9.125 -6.080 1.00 1.00 O ATOM 289 CG2 THR A 42 -3.498 8.965 -7.811 1.00 1.08 C ATOM 0 H THR A 42 -3.321 9.710 -4.475 1.00 0.79 H new ATOM 0 HA THR A 42 -2.794 11.367 -6.859 1.00 0.92 H new ATOM 0 HB THR A 42 -5.018 10.461 -7.651 1.00 0.95 H new ATOM 0 HG1 THR A 42 -4.795 9.161 -5.180 1.00 1.00 H new ATOM 0 HG21 THR A 42 -4.130 8.268 -8.362 1.00 1.08 H new ATOM 0 HG22 THR A 42 -2.908 9.553 -8.514 1.00 1.08 H new ATOM 0 HG23 THR A 42 -2.830 8.408 -7.154 1.00 1.08 H new ATOM 297 N ASN A 43 -4.097 12.407 -4.367 1.00 1.32 N ATOM 298 CA ASN A 43 -4.921 13.412 -3.696 1.00 1.61 C ATOM 299 C ASN A 43 -4.090 14.548 -3.121 1.00 1.76 C ATOM 300 O ASN A 43 -4.622 15.628 -2.859 1.00 2.46 O ATOM 301 CB ASN A 43 -5.756 12.779 -2.579 1.00 1.71 C ATOM 302 CG ASN A 43 -6.849 11.871 -3.105 1.00 2.12 C ATOM 303 OD1 ASN A 43 -7.946 12.326 -3.435 1.00 2.53 O ATOM 304 ND2 ASN A 43 -6.569 10.581 -3.177 1.00 2.70 N ATOM 0 H ASN A 43 -3.301 12.074 -3.824 1.00 1.32 H new ATOM 0 HA ASN A 43 -5.583 13.826 -4.456 1.00 1.61 H new ATOM 0 HB2 ASN A 43 -5.101 12.208 -1.921 1.00 1.71 H new ATOM 0 HB3 ASN A 43 -6.205 13.568 -1.975 1.00 1.71 H new ATOM 0 HD21 ASN A 43 -7.273 9.924 -3.515 1.00 2.70 H new ATOM 0 HD22 ASN A 43 -5.649 10.242 -2.895 1.00 2.70 H new ATOM 311 N LYS A 44 -2.794 14.311 -2.957 1.00 1.55 N ATOM 312 CA LYS A 44 -1.905 15.238 -2.262 1.00 1.81 C ATOM 313 C LYS A 44 -2.275 15.260 -0.784 1.00 1.50 C ATOM 314 O LYS A 44 -3.169 15.986 -0.357 1.00 1.91 O ATOM 315 CB LYS A 44 -1.940 16.652 -2.887 1.00 2.48 C ATOM 316 CG LYS A 44 -1.036 17.677 -2.196 1.00 3.08 C ATOM 317 CD LYS A 44 -1.781 18.438 -1.105 1.00 3.52 C ATOM 318 CE LYS A 44 -0.861 19.325 -0.279 1.00 3.55 C ATOM 319 NZ LYS A 44 -0.260 20.420 -1.083 1.00 3.97 N ATOM 0 H LYS A 44 -2.328 13.471 -3.301 1.00 1.55 H new ATOM 0 HA LYS A 44 -0.877 14.892 -2.368 1.00 1.81 H new ATOM 0 HB2 LYS A 44 -1.649 16.579 -3.935 1.00 2.48 H new ATOM 0 HB3 LYS A 44 -2.966 17.019 -2.866 1.00 2.48 H new ATOM 0 HG2 LYS A 44 -0.174 17.169 -1.763 1.00 3.08 H new ATOM 0 HG3 LYS A 44 -0.653 18.381 -2.935 1.00 3.08 H new ATOM 0 HD2 LYS A 44 -2.558 19.051 -1.561 1.00 3.52 H new ATOM 0 HD3 LYS A 44 -2.281 17.727 -0.447 1.00 3.52 H new ATOM 0 HE2 LYS A 44 -1.423 19.753 0.551 1.00 3.55 H new ATOM 0 HE3 LYS A 44 -0.066 18.717 0.154 1.00 3.55 H new ATOM 0 HZ1 LYS A 44 0.358 20.997 -0.477 1.00 3.97 H new ATOM 0 HZ2 LYS A 44 0.299 20.014 -1.860 1.00 3.97 H new ATOM 0 HZ3 LYS A 44 -1.015 21.018 -1.475 1.00 3.97 H new ATOM 333 N THR A 45 -1.625 14.396 -0.023 1.00 1.26 N ATOM 334 CA THR A 45 -1.840 14.327 1.416 1.00 1.25 C ATOM 335 C THR A 45 -0.728 13.543 2.110 1.00 1.10 C ATOM 336 O THR A 45 -0.604 13.582 3.336 1.00 1.73 O ATOM 337 CB THR A 45 -3.217 13.698 1.751 1.00 1.42 C ATOM 338 OG1 THR A 45 -3.412 13.633 3.172 1.00 1.60 O ATOM 339 CG2 THR A 45 -3.349 12.304 1.155 1.00 1.55 C ATOM 0 H THR A 45 -0.940 13.729 -0.378 1.00 1.26 H new ATOM 0 HA THR A 45 -1.825 15.351 1.789 1.00 1.25 H new ATOM 0 HB THR A 45 -3.983 14.337 1.312 1.00 1.42 H new ATOM 0 HG1 THR A 45 -2.553 13.757 3.626 1.00 1.60 H new ATOM 0 HG21 THR A 45 -4.325 11.891 1.408 1.00 1.55 H new ATOM 0 HG22 THR A 45 -3.249 12.361 0.071 1.00 1.55 H new ATOM 0 HG23 THR A 45 -2.567 11.660 1.558 1.00 1.55 H new ATOM 347 N GLY A 46 0.088 12.837 1.332 1.00 0.82 N ATOM 348 CA GLY A 46 1.150 12.039 1.909 1.00 0.77 C ATOM 349 C GLY A 46 0.598 10.805 2.584 1.00 0.64 C ATOM 350 O GLY A 46 1.144 10.324 3.580 1.00 0.67 O ATOM 0 H GLY A 46 0.031 12.805 0.314 1.00 0.82 H new ATOM 0 HA2 GLY A 46 1.854 11.747 1.130 1.00 0.77 H new ATOM 0 HA3 GLY A 46 1.705 12.636 2.633 1.00 0.77 H new ATOM 354 N SER A 47 -0.504 10.309 2.047 1.00 0.55 N ATOM 355 CA SER A 47 -1.203 9.169 2.609 1.00 0.54 C ATOM 356 C SER A 47 -2.022 8.498 1.513 1.00 0.49 C ATOM 357 O SER A 47 -2.405 9.149 0.547 1.00 0.55 O ATOM 358 CB SER A 47 -2.114 9.624 3.754 1.00 0.68 C ATOM 359 OG SER A 47 -1.379 10.309 4.759 1.00 1.33 O ATOM 0 H SER A 47 -0.939 10.688 1.206 1.00 0.55 H new ATOM 0 HA SER A 47 -0.482 8.456 3.008 1.00 0.54 H new ATOM 0 HB2 SER A 47 -2.894 10.277 3.363 1.00 0.68 H new ATOM 0 HB3 SER A 47 -2.612 8.758 4.191 1.00 0.68 H new ATOM 0 HG SER A 47 -1.987 10.589 5.475 1.00 1.33 H new ATOM 365 N ILE A 48 -2.276 7.206 1.656 1.00 0.45 N ATOM 366 CA ILE A 48 -2.989 6.453 0.626 1.00 0.45 C ATOM 367 C ILE A 48 -4.278 5.855 1.180 1.00 0.47 C ATOM 368 O ILE A 48 -4.274 5.254 2.256 1.00 0.52 O ATOM 369 CB ILE A 48 -2.102 5.314 0.065 1.00 0.51 C ATOM 370 CG1 ILE A 48 -0.803 5.875 -0.522 1.00 0.67 C ATOM 371 CG2 ILE A 48 -2.851 4.503 -0.985 1.00 1.11 C ATOM 372 CD1 ILE A 48 -1.013 6.815 -1.690 1.00 0.74 C ATOM 0 H ILE A 48 -2.002 6.656 2.470 1.00 0.45 H new ATOM 0 HA ILE A 48 -3.234 7.149 -0.176 1.00 0.45 H new ATOM 0 HB ILE A 48 -1.850 4.651 0.892 1.00 0.51 H new ATOM 0 HG12 ILE A 48 -0.259 6.402 0.262 1.00 0.67 H new ATOM 0 HG13 ILE A 48 -0.174 5.046 -0.844 1.00 0.67 H new ATOM 0 HG21 ILE A 48 -2.205 3.710 -1.362 1.00 1.11 H new ATOM 0 HG22 ILE A 48 -3.742 4.063 -0.537 1.00 1.11 H new ATOM 0 HG23 ILE A 48 -3.143 5.155 -1.808 1.00 1.11 H new ATOM 0 HD11 ILE A 48 -0.047 7.170 -2.050 1.00 0.74 H new ATOM 0 HD12 ILE A 48 -1.528 6.288 -2.493 1.00 0.74 H new ATOM 0 HD13 ILE A 48 -1.615 7.665 -1.369 1.00 0.74 H new ATOM 384 N ASP A 49 -5.380 6.030 0.459 1.00 0.50 N ATOM 385 CA ASP A 49 -6.642 5.404 0.844 1.00 0.57 C ATOM 386 C ASP A 49 -6.920 4.204 -0.053 1.00 0.54 C ATOM 387 O ASP A 49 -6.284 4.036 -1.091 1.00 0.51 O ATOM 388 CB ASP A 49 -7.815 6.396 0.783 1.00 0.71 C ATOM 389 CG ASP A 49 -8.595 6.325 -0.514 1.00 0.87 C ATOM 390 OD1 ASP A 49 -9.540 5.504 -0.603 1.00 0.87 O ATOM 391 OD2 ASP A 49 -8.283 7.090 -1.446 1.00 1.51 O ATOM 0 H ASP A 49 -5.427 6.595 -0.389 1.00 0.50 H new ATOM 0 HA ASP A 49 -6.548 5.072 1.878 1.00 0.57 H new ATOM 0 HB2 ASP A 49 -8.490 6.201 1.616 1.00 0.71 H new ATOM 0 HB3 ASP A 49 -7.433 7.408 0.914 1.00 0.71 H new ATOM 396 N TYR A 50 -7.875 3.379 0.355 1.00 0.63 N ATOM 397 CA TYR A 50 -8.154 2.111 -0.314 1.00 0.68 C ATOM 398 C TYR A 50 -8.420 2.250 -1.816 1.00 0.67 C ATOM 399 O TYR A 50 -8.028 1.375 -2.586 1.00 0.75 O ATOM 400 CB TYR A 50 -9.330 1.394 0.360 1.00 0.88 C ATOM 401 CG TYR A 50 -10.574 2.242 0.525 1.00 1.36 C ATOM 402 CD1 TYR A 50 -10.766 3.019 1.660 1.00 1.76 C ATOM 403 CD2 TYR A 50 -11.553 2.269 -0.460 1.00 1.73 C ATOM 404 CE1 TYR A 50 -11.898 3.794 1.810 1.00 2.45 C ATOM 405 CE2 TYR A 50 -12.689 3.043 -0.319 1.00 2.37 C ATOM 406 CZ TYR A 50 -12.861 3.793 0.839 1.00 2.72 C ATOM 407 OH TYR A 50 -13.985 4.579 0.968 1.00 3.44 O ATOM 0 H TYR A 50 -8.478 3.567 1.156 1.00 0.63 H new ATOM 0 HA TYR A 50 -7.246 1.516 -0.213 1.00 0.68 H new ATOM 0 HB2 TYR A 50 -9.584 0.510 -0.226 1.00 0.88 H new ATOM 0 HB3 TYR A 50 -9.011 1.045 1.342 1.00 0.88 H new ATOM 0 HD1 TYR A 50 -10.017 3.017 2.438 1.00 1.76 H new ATOM 0 HD2 TYR A 50 -11.424 1.674 -1.352 1.00 1.73 H new ATOM 0 HE1 TYR A 50 -12.023 4.401 2.694 1.00 2.45 H new ATOM 0 HE2 TYR A 50 -13.435 3.065 -1.100 1.00 2.37 H new ATOM 0 HH TYR A 50 -14.562 4.455 0.186 1.00 3.44 H new ATOM 417 N HIS A 51 -9.064 3.330 -2.254 1.00 0.68 N ATOM 418 CA HIS A 51 -9.469 3.404 -3.654 1.00 0.81 C ATOM 419 C HIS A 51 -8.338 3.902 -4.555 1.00 0.70 C ATOM 420 O HIS A 51 -8.388 3.712 -5.769 1.00 0.73 O ATOM 421 CB HIS A 51 -10.776 4.207 -3.850 1.00 1.08 C ATOM 422 CG HIS A 51 -10.678 5.707 -3.799 1.00 1.40 C ATOM 423 ND1 HIS A 51 -10.895 6.436 -2.653 1.00 2.17 N ATOM 424 CD2 HIS A 51 -10.487 6.618 -4.783 1.00 1.97 C ATOM 425 CE1 HIS A 51 -10.854 7.725 -2.933 1.00 2.73 C ATOM 426 NE2 HIS A 51 -10.607 7.862 -4.219 1.00 2.56 N ATOM 0 H HIS A 51 -9.309 4.139 -1.683 1.00 0.68 H new ATOM 0 HA HIS A 51 -9.690 2.384 -3.967 1.00 0.81 H new ATOM 0 HB2 HIS A 51 -11.201 3.929 -4.815 1.00 1.08 H new ATOM 0 HB3 HIS A 51 -11.485 3.889 -3.086 1.00 1.08 H new ATOM 0 HD1 HIS A 51 -11.062 6.041 -1.728 1.00 2.17 H new ATOM 0 HD2 HIS A 51 -10.279 6.404 -5.821 1.00 1.97 H new ATOM 0 HE1 HIS A 51 -10.998 8.530 -2.228 1.00 2.73 H new ATOM 435 N GLU A 52 -7.312 4.527 -3.975 1.00 0.68 N ATOM 436 CA GLU A 52 -6.109 4.839 -4.743 1.00 0.69 C ATOM 437 C GLU A 52 -5.051 3.759 -4.514 1.00 0.55 C ATOM 438 O GLU A 52 -4.176 3.537 -5.354 1.00 0.56 O ATOM 439 CB GLU A 52 -5.573 6.236 -4.415 1.00 0.92 C ATOM 440 CG GLU A 52 -5.016 6.398 -3.015 1.00 0.72 C ATOM 441 CD GLU A 52 -4.828 7.853 -2.642 1.00 0.85 C ATOM 442 OE1 GLU A 52 -4.425 8.656 -3.519 1.00 1.21 O ATOM 443 OE2 GLU A 52 -5.105 8.203 -1.480 1.00 1.19 O ATOM 0 H GLU A 52 -7.289 4.821 -2.999 1.00 0.68 H new ATOM 0 HA GLU A 52 -6.369 4.848 -5.802 1.00 0.69 H new ATOM 0 HB2 GLU A 52 -4.791 6.486 -5.132 1.00 0.92 H new ATOM 0 HB3 GLU A 52 -6.377 6.959 -4.556 1.00 0.92 H new ATOM 0 HG2 GLU A 52 -5.690 5.925 -2.300 1.00 0.72 H new ATOM 0 HG3 GLU A 52 -4.060 5.879 -2.943 1.00 0.72 H new ATOM 450 N LEU A 53 -5.161 3.070 -3.378 1.00 0.51 N ATOM 451 CA LEU A 53 -4.343 1.889 -3.087 1.00 0.48 C ATOM 452 C LEU A 53 -4.566 0.828 -4.157 1.00 0.42 C ATOM 453 O LEU A 53 -3.719 -0.022 -4.402 1.00 0.44 O ATOM 454 CB LEU A 53 -4.716 1.320 -1.708 1.00 0.55 C ATOM 455 CG LEU A 53 -4.071 -0.020 -1.338 1.00 0.59 C ATOM 456 CD1 LEU A 53 -2.577 0.136 -1.117 1.00 1.23 C ATOM 457 CD2 LEU A 53 -4.735 -0.602 -0.100 1.00 1.41 C ATOM 0 H LEU A 53 -5.817 3.312 -2.635 1.00 0.51 H new ATOM 0 HA LEU A 53 -3.292 2.178 -3.082 1.00 0.48 H new ATOM 0 HB2 LEU A 53 -4.444 2.053 -0.949 1.00 0.55 H new ATOM 0 HB3 LEU A 53 -5.799 1.203 -1.666 1.00 0.55 H new ATOM 0 HG LEU A 53 -4.217 -0.709 -2.170 1.00 0.59 H new ATOM 0 HD11 LEU A 53 -2.145 -0.830 -0.856 1.00 1.23 H new ATOM 0 HD12 LEU A 53 -2.111 0.507 -2.030 1.00 1.23 H new ATOM 0 HD13 LEU A 53 -2.401 0.843 -0.306 1.00 1.23 H new ATOM 0 HD21 LEU A 53 -4.266 -1.554 0.151 1.00 1.41 H new ATOM 0 HD22 LEU A 53 -4.620 0.090 0.734 1.00 1.41 H new ATOM 0 HD23 LEU A 53 -5.795 -0.760 -0.296 1.00 1.41 H new ATOM 469 N LYS A 54 -5.716 0.923 -4.798 1.00 0.44 N ATOM 470 CA LYS A 54 -6.154 -0.019 -5.813 1.00 0.47 C ATOM 471 C LYS A 54 -5.138 -0.162 -6.946 1.00 0.45 C ATOM 472 O LYS A 54 -4.833 -1.275 -7.375 1.00 0.55 O ATOM 473 CB LYS A 54 -7.497 0.464 -6.344 1.00 0.59 C ATOM 474 CG LYS A 54 -8.262 -0.540 -7.182 1.00 1.36 C ATOM 475 CD LYS A 54 -9.653 -0.011 -7.470 1.00 1.61 C ATOM 476 CE LYS A 54 -10.564 -1.069 -8.057 1.00 1.79 C ATOM 477 NZ LYS A 54 -11.954 -0.561 -8.191 1.00 2.47 N ATOM 0 H LYS A 54 -6.386 1.672 -4.625 1.00 0.44 H new ATOM 0 HA LYS A 54 -6.250 -1.010 -5.369 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -8.120 0.756 -5.498 1.00 0.59 H new ATOM 0 HB3 LYS A 54 -7.331 1.360 -6.942 1.00 0.59 H new ATOM 0 HG2 LYS A 54 -7.733 -0.727 -8.116 1.00 1.36 H new ATOM 0 HG3 LYS A 54 -8.326 -1.493 -6.656 1.00 1.36 H new ATOM 0 HD2 LYS A 54 -10.091 0.371 -6.548 1.00 1.61 H new ATOM 0 HD3 LYS A 54 -9.583 0.829 -8.162 1.00 1.61 H new ATOM 0 HE2 LYS A 54 -10.189 -1.375 -9.034 1.00 1.79 H new ATOM 0 HE3 LYS A 54 -10.556 -1.954 -7.421 1.00 1.79 H new ATOM 0 HZ1 LYS A 54 -12.558 -1.305 -8.595 1.00 2.47 H new ATOM 0 HZ2 LYS A 54 -12.317 -0.291 -7.254 1.00 2.47 H new ATOM 0 HZ3 LYS A 54 -11.961 0.269 -8.817 1.00 2.47 H new ATOM 491 N VAL A 55 -4.595 0.955 -7.413 1.00 0.44 N ATOM 492 CA VAL A 55 -3.614 0.915 -8.491 1.00 0.48 C ATOM 493 C VAL A 55 -2.266 0.437 -7.964 1.00 0.46 C ATOM 494 O VAL A 55 -1.451 -0.108 -8.708 1.00 0.50 O ATOM 495 CB VAL A 55 -3.460 2.281 -9.198 1.00 0.60 C ATOM 496 CG1 VAL A 55 -4.787 2.729 -9.790 1.00 1.21 C ATOM 497 CG2 VAL A 55 -2.918 3.336 -8.250 1.00 1.16 C ATOM 0 H VAL A 55 -4.813 1.890 -7.068 1.00 0.44 H new ATOM 0 HA VAL A 55 -3.982 0.208 -9.234 1.00 0.48 H new ATOM 0 HB VAL A 55 -2.741 2.157 -10.007 1.00 0.60 H new ATOM 0 HG11 VAL A 55 -4.659 3.692 -10.283 1.00 1.21 H new ATOM 0 HG12 VAL A 55 -5.129 1.992 -10.517 1.00 1.21 H new ATOM 0 HG13 VAL A 55 -5.526 2.824 -8.995 1.00 1.21 H new ATOM 0 HG21 VAL A 55 -2.822 4.285 -8.778 1.00 1.16 H new ATOM 0 HG22 VAL A 55 -3.602 3.456 -7.410 1.00 1.16 H new ATOM 0 HG23 VAL A 55 -1.941 3.025 -7.880 1.00 1.16 H new ATOM 507 N ALA A 56 -2.052 0.621 -6.666 1.00 0.46 N ATOM 508 CA ALA A 56 -0.858 0.120 -6.009 1.00 0.51 C ATOM 509 C ALA A 56 -0.940 -1.395 -5.887 1.00 0.49 C ATOM 510 O ALA A 56 0.033 -2.100 -6.141 1.00 0.58 O ATOM 511 CB ALA A 56 -0.692 0.763 -4.641 1.00 0.55 C ATOM 0 H ALA A 56 -2.695 1.116 -6.048 1.00 0.46 H new ATOM 0 HA ALA A 56 0.015 0.379 -6.609 1.00 0.51 H new ATOM 0 HB1 ALA A 56 0.208 0.375 -4.164 1.00 0.55 H new ATOM 0 HB2 ALA A 56 -0.606 1.844 -4.755 1.00 0.55 H new ATOM 0 HB3 ALA A 56 -1.559 0.532 -4.023 1.00 0.55 H new ATOM 517 N MET A 57 -2.121 -1.891 -5.515 1.00 0.44 N ATOM 518 CA MET A 57 -2.356 -3.328 -5.440 1.00 0.49 C ATOM 519 C MET A 57 -2.115 -3.954 -6.805 1.00 0.48 C ATOM 520 O MET A 57 -1.581 -5.058 -6.917 1.00 0.55 O ATOM 521 CB MET A 57 -3.790 -3.653 -5.012 1.00 0.59 C ATOM 522 CG MET A 57 -4.310 -2.885 -3.809 1.00 0.70 C ATOM 523 SD MET A 57 -5.461 -3.854 -2.824 1.00 1.75 S ATOM 524 CE MET A 57 -4.452 -5.262 -2.386 1.00 1.48 C ATOM 0 H MET A 57 -2.926 -1.318 -5.262 1.00 0.44 H new ATOM 0 HA MET A 57 -1.670 -3.731 -4.695 1.00 0.49 H new ATOM 0 HB2 MET A 57 -4.453 -3.462 -5.856 1.00 0.59 H new ATOM 0 HB3 MET A 57 -3.851 -4.719 -4.793 1.00 0.59 H new ATOM 0 HG2 MET A 57 -3.470 -2.579 -3.185 1.00 0.70 H new ATOM 0 HG3 MET A 57 -4.803 -1.974 -4.148 1.00 0.70 H new ATOM 0 HE1 MET A 57 -4.899 -5.780 -1.537 1.00 1.48 H new ATOM 0 HE2 MET A 57 -4.390 -5.943 -3.235 1.00 1.48 H new ATOM 0 HE3 MET A 57 -3.451 -4.923 -2.119 1.00 1.48 H new ATOM 534 N ARG A 58 -2.530 -3.230 -7.833 1.00 0.48 N ATOM 535 CA ARG A 58 -2.364 -3.661 -9.211 1.00 0.55 C ATOM 536 C ARG A 58 -0.886 -3.800 -9.559 1.00 0.59 C ATOM 537 O ARG A 58 -0.439 -4.864 -9.982 1.00 0.68 O ATOM 538 CB ARG A 58 -3.030 -2.645 -10.140 1.00 0.68 C ATOM 539 CG ARG A 58 -3.025 -3.042 -11.604 1.00 1.10 C ATOM 540 CD ARG A 58 -3.638 -1.949 -12.465 1.00 1.25 C ATOM 541 NE ARG A 58 -3.895 -2.399 -13.831 1.00 1.66 N ATOM 542 CZ ARG A 58 -4.216 -1.582 -14.831 1.00 2.15 C ATOM 543 NH1 ARG A 58 -4.228 -0.268 -14.648 1.00 2.27 N ATOM 544 NH2 ARG A 58 -4.503 -2.086 -16.023 1.00 2.97 N ATOM 0 H ARG A 58 -2.992 -2.326 -7.734 1.00 0.48 H new ATOM 0 HA ARG A 58 -2.834 -4.636 -9.337 1.00 0.55 H new ATOM 0 HB2 ARG A 58 -4.061 -2.498 -9.819 1.00 0.68 H new ATOM 0 HB3 ARG A 58 -2.523 -1.686 -10.034 1.00 0.68 H new ATOM 0 HG2 ARG A 58 -2.003 -3.236 -11.929 1.00 1.10 H new ATOM 0 HG3 ARG A 58 -3.582 -3.969 -11.735 1.00 1.10 H new ATOM 0 HD2 ARG A 58 -4.572 -1.614 -12.013 1.00 1.25 H new ATOM 0 HD3 ARG A 58 -2.969 -1.089 -12.488 1.00 1.25 H new ATOM 0 HE ARG A 58 -3.824 -3.397 -14.030 1.00 1.66 H new ATOM 0 HH11 ARG A 58 -3.990 0.122 -13.736 1.00 2.27 H new ATOM 0 HH12 ARG A 58 -4.475 0.352 -15.419 1.00 2.27 H new ATOM 0 HH21 ARG A 58 -4.477 -3.095 -16.170 1.00 2.97 H new ATOM 0 HH22 ARG A 58 -4.750 -1.465 -16.793 1.00 2.97 H new ATOM 558 N ALA A 59 -0.132 -2.722 -9.349 1.00 0.60 N ATOM 559 CA ALA A 59 1.290 -2.685 -9.687 1.00 0.72 C ATOM 560 C ALA A 59 2.082 -3.746 -8.925 1.00 0.73 C ATOM 561 O ALA A 59 3.127 -4.206 -9.389 1.00 0.84 O ATOM 562 CB ALA A 59 1.860 -1.306 -9.410 1.00 0.81 C ATOM 0 H ALA A 59 -0.486 -1.856 -8.943 1.00 0.60 H new ATOM 0 HA ALA A 59 1.382 -2.905 -10.751 1.00 0.72 H new ATOM 0 HB1 ALA A 59 2.919 -1.292 -9.666 1.00 0.81 H new ATOM 0 HB2 ALA A 59 1.332 -0.566 -10.012 1.00 0.81 H new ATOM 0 HB3 ALA A 59 1.739 -1.068 -8.353 1.00 0.81 H new ATOM 568 N LEU A 60 1.592 -4.119 -7.753 1.00 0.68 N ATOM 569 CA LEU A 60 2.220 -5.171 -6.966 1.00 0.78 C ATOM 570 C LEU A 60 1.787 -6.539 -7.460 1.00 0.78 C ATOM 571 O LEU A 60 2.613 -7.422 -7.695 1.00 0.96 O ATOM 572 CB LEU A 60 1.855 -5.027 -5.494 1.00 0.80 C ATOM 573 CG LEU A 60 2.319 -3.734 -4.827 1.00 0.95 C ATOM 574 CD1 LEU A 60 1.720 -3.634 -3.440 1.00 1.82 C ATOM 575 CD2 LEU A 60 3.839 -3.674 -4.766 1.00 1.32 C ATOM 0 H LEU A 60 0.762 -3.710 -7.325 1.00 0.68 H new ATOM 0 HA LEU A 60 3.300 -5.076 -7.079 1.00 0.78 H new ATOM 0 HB2 LEU A 60 0.772 -5.097 -5.397 1.00 0.80 H new ATOM 0 HB3 LEU A 60 2.279 -5.870 -4.948 1.00 0.80 H new ATOM 0 HG LEU A 60 1.977 -2.886 -5.421 1.00 0.95 H new ATOM 0 HD11 LEU A 60 2.052 -2.711 -2.966 1.00 1.82 H new ATOM 0 HD12 LEU A 60 0.632 -3.634 -3.513 1.00 1.82 H new ATOM 0 HD13 LEU A 60 2.043 -4.486 -2.842 1.00 1.82 H new ATOM 0 HD21 LEU A 60 4.148 -2.745 -4.287 1.00 1.32 H new ATOM 0 HD22 LEU A 60 4.214 -4.521 -4.191 1.00 1.32 H new ATOM 0 HD23 LEU A 60 4.246 -3.714 -5.777 1.00 1.32 H new ATOM 587 N GLY A 61 0.489 -6.708 -7.621 1.00 0.68 N ATOM 588 CA GLY A 61 -0.035 -7.974 -8.056 1.00 0.72 C ATOM 589 C GLY A 61 -0.789 -8.699 -6.967 1.00 0.75 C ATOM 590 O GLY A 61 -0.272 -9.633 -6.353 1.00 0.96 O ATOM 0 H GLY A 61 -0.212 -5.986 -7.457 1.00 0.68 H new ATOM 0 HA2 GLY A 61 -0.698 -7.815 -8.907 1.00 0.72 H new ATOM 0 HA3 GLY A 61 0.785 -8.602 -8.404 1.00 0.72 H new ATOM 594 N PHE A 62 -2.006 -8.249 -6.709 1.00 0.72 N ATOM 595 CA PHE A 62 -2.894 -8.924 -5.770 1.00 0.80 C ATOM 596 C PHE A 62 -4.177 -9.353 -6.468 1.00 0.89 C ATOM 597 O PHE A 62 -4.434 -8.962 -7.606 1.00 1.01 O ATOM 598 CB PHE A 62 -3.244 -8.013 -4.591 1.00 0.78 C ATOM 599 CG PHE A 62 -2.097 -7.733 -3.662 1.00 0.80 C ATOM 600 CD1 PHE A 62 -1.724 -8.660 -2.703 1.00 0.97 C ATOM 601 CD2 PHE A 62 -1.402 -6.538 -3.738 1.00 0.80 C ATOM 602 CE1 PHE A 62 -0.677 -8.399 -1.838 1.00 1.08 C ATOM 603 CE2 PHE A 62 -0.358 -6.272 -2.876 1.00 0.91 C ATOM 604 CZ PHE A 62 0.006 -7.203 -1.926 1.00 1.03 C ATOM 0 H PHE A 62 -2.405 -7.414 -7.138 1.00 0.72 H new ATOM 0 HA PHE A 62 -2.370 -9.803 -5.394 1.00 0.80 H new ATOM 0 HB2 PHE A 62 -3.622 -7.067 -4.978 1.00 0.78 H new ATOM 0 HB3 PHE A 62 -4.053 -8.470 -4.022 1.00 0.78 H new ATOM 0 HD1 PHE A 62 -2.256 -9.597 -2.630 1.00 0.97 H new ATOM 0 HD2 PHE A 62 -1.680 -5.805 -4.481 1.00 0.80 H new ATOM 0 HE1 PHE A 62 -0.394 -9.130 -1.095 1.00 1.08 H new ATOM 0 HE2 PHE A 62 0.174 -5.335 -2.945 1.00 0.91 H new ATOM 0 HZ PHE A 62 0.824 -6.997 -1.252 1.00 1.03 H new ATOM 614 N ASP A 63 -4.985 -10.152 -5.783 1.00 1.21 N ATOM 615 CA ASP A 63 -6.266 -10.588 -6.327 1.00 1.42 C ATOM 616 C ASP A 63 -7.339 -9.532 -6.082 1.00 1.36 C ATOM 617 O ASP A 63 -8.391 -9.552 -6.712 1.00 1.98 O ATOM 618 CB ASP A 63 -6.690 -11.927 -5.726 1.00 1.81 C ATOM 619 CG ASP A 63 -5.796 -13.067 -6.173 1.00 2.36 C ATOM 620 OD1 ASP A 63 -5.962 -13.544 -7.315 1.00 2.85 O ATOM 621 OD2 ASP A 63 -4.935 -13.497 -5.376 1.00 2.74 O ATOM 0 H ASP A 63 -4.777 -10.511 -4.851 1.00 1.21 H new ATOM 0 HA ASP A 63 -6.147 -10.721 -7.402 1.00 1.42 H new ATOM 0 HB2 ASP A 63 -6.670 -11.857 -4.638 1.00 1.81 H new ATOM 0 HB3 ASP A 63 -7.720 -12.142 -6.013 1.00 1.81 H new ATOM 626 N VAL A 64 -7.033 -8.612 -5.166 1.00 0.90 N ATOM 627 CA VAL A 64 -7.857 -7.432 -4.854 1.00 0.93 C ATOM 628 C VAL A 64 -9.346 -7.727 -4.677 1.00 0.86 C ATOM 629 O VAL A 64 -9.736 -8.479 -3.772 1.00 0.95 O ATOM 630 CB VAL A 64 -7.633 -6.270 -5.862 1.00 1.16 C ATOM 631 CG1 VAL A 64 -6.229 -5.762 -5.709 1.00 1.35 C ATOM 632 CG2 VAL A 64 -7.839 -6.684 -7.315 1.00 1.33 C ATOM 0 H VAL A 64 -6.184 -8.664 -4.603 1.00 0.90 H new ATOM 0 HA VAL A 64 -7.501 -7.108 -3.876 1.00 0.93 H new ATOM 0 HB VAL A 64 -8.373 -5.503 -5.634 1.00 1.16 H new ATOM 0 HG11 VAL A 64 -6.059 -4.946 -6.411 1.00 1.35 H new ATOM 0 HG12 VAL A 64 -6.081 -5.402 -4.691 1.00 1.35 H new ATOM 0 HG13 VAL A 64 -5.526 -6.569 -5.914 1.00 1.35 H new ATOM 0 HG21 VAL A 64 -7.667 -5.826 -7.966 1.00 1.33 H new ATOM 0 HG22 VAL A 64 -7.138 -7.479 -7.570 1.00 1.33 H new ATOM 0 HG23 VAL A 64 -8.859 -7.043 -7.450 1.00 1.33 H new ATOM 642 N LYS A 65 -10.168 -7.084 -5.506 1.00 0.88 N ATOM 643 CA LYS A 65 -11.613 -7.239 -5.473 1.00 0.94 C ATOM 644 C LYS A 65 -12.175 -6.533 -4.256 1.00 0.80 C ATOM 645 O LYS A 65 -11.448 -6.276 -3.299 1.00 0.74 O ATOM 646 CB LYS A 65 -12.003 -8.716 -5.489 1.00 1.18 C ATOM 647 CG LYS A 65 -11.357 -9.472 -6.632 1.00 1.54 C ATOM 648 CD LYS A 65 -11.902 -9.024 -7.971 1.00 1.58 C ATOM 649 CE LYS A 65 -10.809 -8.430 -8.842 1.00 1.75 C ATOM 650 NZ LYS A 65 -9.695 -9.391 -9.066 1.00 2.52 N ATOM 0 H LYS A 65 -9.842 -6.437 -6.224 1.00 0.88 H new ATOM 0 HA LYS A 65 -12.039 -6.782 -6.366 1.00 0.94 H new ATOM 0 HB2 LYS A 65 -11.714 -9.175 -4.544 1.00 1.18 H new ATOM 0 HB3 LYS A 65 -13.087 -8.802 -5.567 1.00 1.18 H new ATOM 0 HG2 LYS A 65 -10.278 -9.319 -6.607 1.00 1.54 H new ATOM 0 HG3 LYS A 65 -11.530 -10.541 -6.507 1.00 1.54 H new ATOM 0 HD2 LYS A 65 -12.357 -9.872 -8.483 1.00 1.58 H new ATOM 0 HD3 LYS A 65 -12.689 -8.285 -7.817 1.00 1.58 H new ATOM 0 HE2 LYS A 65 -11.231 -8.133 -9.802 1.00 1.75 H new ATOM 0 HE3 LYS A 65 -10.420 -7.527 -8.372 1.00 1.75 H new ATOM 0 HZ1 LYS A 65 -9.314 -9.263 -10.025 1.00 2.52 H new ATOM 0 HZ2 LYS A 65 -8.943 -9.219 -8.369 1.00 2.52 H new ATOM 0 HZ3 LYS A 65 -10.049 -10.363 -8.961 1.00 2.52 H new ATOM 664 N LYS A 66 -13.464 -6.231 -4.304 1.00 0.87 N ATOM 665 CA LYS A 66 -14.119 -5.410 -3.289 1.00 0.86 C ATOM 666 C LYS A 66 -13.687 -5.793 -1.862 1.00 0.77 C ATOM 667 O LYS A 66 -13.178 -4.943 -1.142 1.00 0.71 O ATOM 668 CB LYS A 66 -15.644 -5.500 -3.440 1.00 1.09 C ATOM 669 CG LYS A 66 -16.383 -4.206 -3.115 1.00 1.44 C ATOM 670 CD LYS A 66 -16.299 -3.845 -1.641 1.00 1.88 C ATOM 671 CE LYS A 66 -17.039 -2.550 -1.344 1.00 2.34 C ATOM 672 NZ LYS A 66 -18.478 -2.633 -1.713 1.00 2.94 N ATOM 0 H LYS A 66 -14.088 -6.547 -5.047 1.00 0.87 H new ATOM 0 HA LYS A 66 -13.805 -4.378 -3.448 1.00 0.86 H new ATOM 0 HB2 LYS A 66 -15.880 -5.792 -4.463 1.00 1.09 H new ATOM 0 HB3 LYS A 66 -16.016 -6.291 -2.789 1.00 1.09 H new ATOM 0 HG2 LYS A 66 -15.966 -3.393 -3.710 1.00 1.44 H new ATOM 0 HG3 LYS A 66 -17.430 -4.306 -3.403 1.00 1.44 H new ATOM 0 HD2 LYS A 66 -16.721 -4.652 -1.042 1.00 1.88 H new ATOM 0 HD3 LYS A 66 -15.254 -3.744 -1.349 1.00 1.88 H new ATOM 0 HE2 LYS A 66 -16.950 -2.317 -0.283 1.00 2.34 H new ATOM 0 HE3 LYS A 66 -16.571 -1.731 -1.891 1.00 2.34 H new ATOM 0 HZ1 LYS A 66 -18.995 -1.846 -1.272 1.00 2.94 H new ATOM 0 HZ2 LYS A 66 -18.575 -2.575 -2.747 1.00 2.94 H new ATOM 0 HZ3 LYS A 66 -18.871 -3.536 -1.379 1.00 2.94 H new ATOM 686 N PRO A 67 -13.839 -7.071 -1.442 1.00 0.88 N ATOM 687 CA PRO A 67 -13.546 -7.480 -0.059 1.00 0.94 C ATOM 688 C PRO A 67 -12.076 -7.324 0.363 1.00 0.86 C ATOM 689 O PRO A 67 -11.798 -6.771 1.428 1.00 0.89 O ATOM 690 CB PRO A 67 -13.951 -8.958 -0.020 1.00 1.14 C ATOM 691 CG PRO A 67 -13.929 -9.406 -1.439 1.00 1.21 C ATOM 692 CD PRO A 67 -14.318 -8.211 -2.254 1.00 1.05 C ATOM 0 HA PRO A 67 -14.085 -6.841 0.640 1.00 0.94 H new ATOM 0 HB2 PRO A 67 -13.258 -9.540 0.588 1.00 1.14 H new ATOM 0 HB3 PRO A 67 -14.942 -9.084 0.417 1.00 1.14 H new ATOM 0 HG2 PRO A 67 -12.939 -9.765 -1.720 1.00 1.21 H new ATOM 0 HG3 PRO A 67 -14.624 -10.231 -1.599 1.00 1.21 H new ATOM 0 HD2 PRO A 67 -13.851 -8.227 -3.239 1.00 1.05 H new ATOM 0 HD3 PRO A 67 -15.395 -8.166 -2.413 1.00 1.05 H new ATOM 700 N GLU A 68 -11.131 -7.782 -0.459 1.00 0.82 N ATOM 701 CA GLU A 68 -9.748 -7.918 0.004 1.00 0.81 C ATOM 702 C GLU A 68 -8.950 -6.625 -0.124 1.00 0.68 C ATOM 703 O GLU A 68 -7.822 -6.543 0.358 1.00 0.72 O ATOM 704 CB GLU A 68 -9.036 -9.049 -0.740 1.00 0.91 C ATOM 705 CG GLU A 68 -9.640 -10.418 -0.475 1.00 1.63 C ATOM 706 CD GLU A 68 -8.872 -11.543 -1.144 1.00 1.76 C ATOM 707 OE1 GLU A 68 -9.172 -11.860 -2.313 1.00 2.38 O ATOM 708 OE2 GLU A 68 -7.967 -12.121 -0.498 1.00 1.77 O ATOM 0 H GLU A 68 -11.291 -8.060 -1.427 1.00 0.82 H new ATOM 0 HA GLU A 68 -9.801 -8.159 1.066 1.00 0.81 H new ATOM 0 HB2 GLU A 68 -9.068 -8.847 -1.811 1.00 0.91 H new ATOM 0 HB3 GLU A 68 -7.986 -9.061 -0.449 1.00 0.91 H new ATOM 0 HG2 GLU A 68 -9.669 -10.594 0.600 1.00 1.63 H new ATOM 0 HG3 GLU A 68 -10.671 -10.429 -0.828 1.00 1.63 H new ATOM 715 N ILE A 69 -9.518 -5.616 -0.764 1.00 0.65 N ATOM 716 CA ILE A 69 -8.797 -4.360 -0.939 1.00 0.63 C ATOM 717 C ILE A 69 -9.136 -3.332 0.137 1.00 0.58 C ATOM 718 O ILE A 69 -8.235 -2.807 0.801 1.00 0.61 O ATOM 719 CB ILE A 69 -8.991 -3.763 -2.353 1.00 0.72 C ATOM 720 CG1 ILE A 69 -8.264 -2.431 -2.484 1.00 0.76 C ATOM 721 CG2 ILE A 69 -10.457 -3.579 -2.689 1.00 1.23 C ATOM 722 CD1 ILE A 69 -8.134 -1.967 -3.913 1.00 0.95 C ATOM 0 H ILE A 69 -10.456 -5.636 -1.164 1.00 0.65 H new ATOM 0 HA ILE A 69 -7.742 -4.609 -0.827 1.00 0.63 H new ATOM 0 HB ILE A 69 -8.565 -4.475 -3.060 1.00 0.72 H new ATOM 0 HG12 ILE A 69 -8.798 -1.674 -1.910 1.00 0.76 H new ATOM 0 HG13 ILE A 69 -7.270 -2.521 -2.046 1.00 0.76 H new ATOM 0 HG21 ILE A 69 -10.551 -3.158 -3.690 1.00 1.23 H new ATOM 0 HG22 ILE A 69 -10.963 -4.544 -2.653 1.00 1.23 H new ATOM 0 HG23 ILE A 69 -10.914 -2.903 -1.966 1.00 1.23 H new ATOM 0 HD11 ILE A 69 -7.607 -1.013 -3.939 1.00 0.95 H new ATOM 0 HD12 ILE A 69 -7.575 -2.706 -4.486 1.00 0.95 H new ATOM 0 HD13 ILE A 69 -9.126 -1.846 -4.348 1.00 0.95 H new ATOM 734 N LEU A 70 -10.416 -3.050 0.348 1.00 0.60 N ATOM 735 CA LEU A 70 -10.774 -2.019 1.305 1.00 0.63 C ATOM 736 C LEU A 70 -10.412 -2.475 2.713 1.00 0.63 C ATOM 737 O LEU A 70 -9.887 -1.700 3.502 1.00 0.68 O ATOM 738 CB LEU A 70 -12.265 -1.579 1.177 1.00 0.77 C ATOM 739 CG LEU A 70 -13.367 -2.397 1.896 1.00 0.82 C ATOM 740 CD1 LEU A 70 -13.322 -3.866 1.532 1.00 1.13 C ATOM 741 CD2 LEU A 70 -13.293 -2.218 3.403 1.00 1.08 C ATOM 0 H LEU A 70 -11.201 -3.507 -0.117 1.00 0.60 H new ATOM 0 HA LEU A 70 -10.194 -1.124 1.080 1.00 0.63 H new ATOM 0 HB2 LEU A 70 -12.334 -0.552 1.536 1.00 0.77 H new ATOM 0 HB3 LEU A 70 -12.511 -1.563 0.115 1.00 0.77 H new ATOM 0 HG LEU A 70 -14.323 -2.004 1.548 1.00 0.82 H new ATOM 0 HD11 LEU A 70 -14.114 -4.396 2.061 1.00 1.13 H new ATOM 0 HD12 LEU A 70 -13.465 -3.979 0.457 1.00 1.13 H new ATOM 0 HD13 LEU A 70 -12.355 -4.282 1.815 1.00 1.13 H new ATOM 0 HD21 LEU A 70 -14.079 -2.805 3.878 1.00 1.08 H new ATOM 0 HD22 LEU A 70 -12.321 -2.556 3.762 1.00 1.08 H new ATOM 0 HD23 LEU A 70 -13.426 -1.165 3.651 1.00 1.08 H new ATOM 753 N GLU A 71 -10.636 -3.756 2.998 1.00 0.64 N ATOM 754 CA GLU A 71 -10.440 -4.287 4.340 1.00 0.70 C ATOM 755 C GLU A 71 -8.978 -4.602 4.588 1.00 0.65 C ATOM 756 O GLU A 71 -8.580 -4.955 5.696 1.00 0.70 O ATOM 757 CB GLU A 71 -11.300 -5.526 4.561 1.00 0.85 C ATOM 758 CG GLU A 71 -12.213 -5.403 5.764 1.00 1.17 C ATOM 759 CD GLU A 71 -11.464 -5.437 7.082 1.00 1.22 C ATOM 760 OE1 GLU A 71 -10.712 -4.479 7.384 1.00 1.61 O ATOM 761 OE2 GLU A 71 -11.645 -6.418 7.834 1.00 1.66 O ATOM 0 H GLU A 71 -10.954 -4.444 2.315 1.00 0.64 H new ATOM 0 HA GLU A 71 -10.749 -3.523 5.053 1.00 0.70 H new ATOM 0 HB2 GLU A 71 -11.903 -5.707 3.671 1.00 0.85 H new ATOM 0 HB3 GLU A 71 -10.652 -6.393 4.690 1.00 0.85 H new ATOM 0 HG2 GLU A 71 -12.773 -4.470 5.694 1.00 1.17 H new ATOM 0 HG3 GLU A 71 -12.941 -6.214 5.745 1.00 1.17 H new ATOM 768 N LEU A 72 -8.177 -4.478 3.550 1.00 0.62 N ATOM 769 CA LEU A 72 -6.749 -4.557 3.717 1.00 0.68 C ATOM 770 C LEU A 72 -6.302 -3.356 4.533 1.00 0.67 C ATOM 771 O LEU A 72 -5.670 -3.491 5.574 1.00 0.74 O ATOM 772 CB LEU A 72 -6.051 -4.601 2.347 1.00 0.74 C ATOM 773 CG LEU A 72 -4.519 -4.684 2.371 1.00 0.92 C ATOM 774 CD1 LEU A 72 -4.011 -5.411 1.138 1.00 1.07 C ATOM 775 CD2 LEU A 72 -3.904 -3.293 2.422 1.00 1.01 C ATOM 0 H LEU A 72 -8.491 -4.324 2.592 1.00 0.62 H new ATOM 0 HA LEU A 72 -6.476 -5.472 4.243 1.00 0.68 H new ATOM 0 HB2 LEU A 72 -6.432 -5.460 1.795 1.00 0.74 H new ATOM 0 HB3 LEU A 72 -6.337 -3.710 1.788 1.00 0.74 H new ATOM 0 HG LEU A 72 -4.227 -5.235 3.265 1.00 0.92 H new ATOM 0 HD11 LEU A 72 -2.923 -5.462 1.168 1.00 1.07 H new ATOM 0 HD12 LEU A 72 -4.421 -6.421 1.116 1.00 1.07 H new ATOM 0 HD13 LEU A 72 -4.324 -4.873 0.243 1.00 1.07 H new ATOM 0 HD21 LEU A 72 -2.817 -3.376 2.438 1.00 1.01 H new ATOM 0 HD22 LEU A 72 -4.211 -2.727 1.543 1.00 1.01 H new ATOM 0 HD23 LEU A 72 -4.242 -2.778 3.321 1.00 1.01 H new ATOM 787 N MET A 73 -6.711 -2.178 4.102 1.00 0.70 N ATOM 788 CA MET A 73 -6.245 -0.959 4.736 1.00 0.82 C ATOM 789 C MET A 73 -7.245 -0.470 5.762 1.00 0.85 C ATOM 790 O MET A 73 -6.948 0.410 6.545 1.00 1.02 O ATOM 791 CB MET A 73 -5.935 0.123 3.697 1.00 0.96 C ATOM 792 CG MET A 73 -7.114 0.555 2.846 1.00 0.98 C ATOM 793 SD MET A 73 -8.202 1.726 3.680 1.00 1.29 S ATOM 794 CE MET A 73 -7.047 3.050 4.027 1.00 0.76 C ATOM 0 H MET A 73 -7.357 -2.039 3.325 1.00 0.70 H new ATOM 0 HA MET A 73 -5.315 -1.185 5.258 1.00 0.82 H new ATOM 0 HB2 MET A 73 -5.540 0.998 4.213 1.00 0.96 H new ATOM 0 HB3 MET A 73 -5.146 -0.242 3.039 1.00 0.96 H new ATOM 0 HG2 MET A 73 -6.743 1.006 1.925 1.00 0.98 H new ATOM 0 HG3 MET A 73 -7.689 -0.326 2.560 1.00 0.98 H new ATOM 0 HE1 MET A 73 -7.598 3.957 4.278 1.00 0.76 H new ATOM 0 HE2 MET A 73 -6.411 2.768 4.866 1.00 0.76 H new ATOM 0 HE3 MET A 73 -6.428 3.233 3.148 1.00 0.76 H new ATOM 804 N ASN A 74 -8.427 -1.060 5.767 1.00 0.82 N ATOM 805 CA ASN A 74 -9.465 -0.674 6.716 1.00 0.94 C ATOM 806 C ASN A 74 -9.038 -0.977 8.153 1.00 0.92 C ATOM 807 O ASN A 74 -9.307 -0.195 9.063 1.00 1.00 O ATOM 808 CB ASN A 74 -10.785 -1.369 6.364 1.00 1.05 C ATOM 809 CG ASN A 74 -11.818 -1.267 7.463 1.00 1.26 C ATOM 810 OD1 ASN A 74 -12.543 -0.278 7.573 1.00 1.62 O ATOM 811 ND2 ASN A 74 -11.914 -2.314 8.253 1.00 1.88 N ATOM 0 H ASN A 74 -8.695 -1.808 5.127 1.00 0.82 H new ATOM 0 HA ASN A 74 -9.617 0.403 6.646 1.00 0.94 H new ATOM 0 HB2 ASN A 74 -11.189 -0.930 5.452 1.00 1.05 H new ATOM 0 HB3 ASN A 74 -10.590 -2.420 6.152 1.00 1.05 H new ATOM 0 HD21 ASN A 74 -12.612 -2.330 8.996 1.00 1.88 H new ATOM 0 HD22 ASN A 74 -11.290 -3.110 8.122 1.00 1.88 H new ATOM 818 N GLU A 75 -8.388 -2.112 8.369 1.00 0.88 N ATOM 819 CA GLU A 75 -7.791 -2.379 9.675 1.00 0.95 C ATOM 820 C GLU A 75 -6.380 -1.789 9.803 1.00 0.85 C ATOM 821 O GLU A 75 -5.916 -1.539 10.918 1.00 0.90 O ATOM 822 CB GLU A 75 -7.758 -3.876 9.974 1.00 1.07 C ATOM 823 CG GLU A 75 -9.136 -4.485 10.135 1.00 1.66 C ATOM 824 CD GLU A 75 -9.115 -5.797 10.890 1.00 2.20 C ATOM 825 OE1 GLU A 75 -8.715 -6.821 10.292 1.00 2.73 O ATOM 826 OE2 GLU A 75 -9.491 -5.814 12.079 1.00 2.59 O ATOM 0 H GLU A 75 -8.261 -2.849 7.676 1.00 0.88 H new ATOM 0 HA GLU A 75 -8.427 -1.885 10.410 1.00 0.95 H new ATOM 0 HB2 GLU A 75 -7.233 -4.389 9.168 1.00 1.07 H new ATOM 0 HB3 GLU A 75 -7.185 -4.045 10.886 1.00 1.07 H new ATOM 0 HG2 GLU A 75 -9.780 -3.780 10.660 1.00 1.66 H new ATOM 0 HG3 GLU A 75 -9.574 -4.645 9.150 1.00 1.66 H new ATOM 833 N TYR A 76 -5.695 -1.568 8.682 1.00 0.80 N ATOM 834 CA TYR A 76 -4.325 -1.036 8.720 1.00 0.80 C ATOM 835 C TYR A 76 -4.272 0.488 8.912 1.00 0.84 C ATOM 836 O TYR A 76 -3.360 1.001 9.561 1.00 1.09 O ATOM 837 CB TYR A 76 -3.566 -1.405 7.443 1.00 0.81 C ATOM 838 CG TYR A 76 -2.862 -2.745 7.496 1.00 0.80 C ATOM 839 CD1 TYR A 76 -3.559 -3.929 7.327 1.00 1.22 C ATOM 840 CD2 TYR A 76 -1.488 -2.817 7.692 1.00 1.28 C ATOM 841 CE1 TYR A 76 -2.916 -5.152 7.349 1.00 1.44 C ATOM 842 CE2 TYR A 76 -0.834 -4.033 7.722 1.00 1.65 C ATOM 843 CZ TYR A 76 -1.553 -5.197 7.547 1.00 1.51 C ATOM 844 OH TYR A 76 -0.906 -6.412 7.564 1.00 1.98 O ATOM 0 H TYR A 76 -6.057 -1.745 7.745 1.00 0.80 H new ATOM 0 HA TYR A 76 -3.851 -1.495 9.588 1.00 0.80 H new ATOM 0 HB2 TYR A 76 -4.266 -1.409 6.608 1.00 0.81 H new ATOM 0 HB3 TYR A 76 -2.829 -0.629 7.237 1.00 0.81 H new ATOM 0 HD1 TYR A 76 -4.628 -3.896 7.175 1.00 1.22 H new ATOM 0 HD2 TYR A 76 -0.922 -1.907 7.823 1.00 1.28 H new ATOM 0 HE1 TYR A 76 -3.477 -6.065 7.212 1.00 1.44 H new ATOM 0 HE2 TYR A 76 0.233 -4.072 7.881 1.00 1.65 H new ATOM 0 HH TYR A 76 -0.776 -6.726 6.645 1.00 1.98 H new ATOM 854 N ASP A 77 -5.263 1.202 8.381 1.00 0.72 N ATOM 855 CA ASP A 77 -5.215 2.669 8.295 1.00 0.83 C ATOM 856 C ASP A 77 -5.428 3.344 9.650 1.00 1.13 C ATOM 857 O ASP A 77 -5.593 4.562 9.720 1.00 1.71 O ATOM 858 CB ASP A 77 -6.286 3.183 7.331 1.00 0.91 C ATOM 859 CG ASP A 77 -7.664 3.241 7.964 1.00 1.10 C ATOM 860 OD1 ASP A 77 -8.073 2.250 8.591 1.00 1.63 O ATOM 861 OD2 ASP A 77 -8.339 4.284 7.845 1.00 1.44 O ATOM 0 H ASP A 77 -6.115 0.790 8.001 1.00 0.72 H new ATOM 0 HA ASP A 77 -4.217 2.921 7.935 1.00 0.83 H new ATOM 0 HB2 ASP A 77 -6.008 4.178 6.983 1.00 0.91 H new ATOM 0 HB3 ASP A 77 -6.320 2.536 6.454 1.00 0.91 H new ATOM 926 N GLY A 82 -8.705 6.879 7.527 1.00 1.33 N ATOM 927 CA GLY A 82 -9.117 7.222 6.185 1.00 1.30 C ATOM 928 C GLY A 82 -8.028 6.907 5.188 1.00 1.00 C ATOM 929 O GLY A 82 -8.300 6.579 4.034 1.00 1.04 O ATOM 0 HA2 GLY A 82 -10.022 6.672 5.927 1.00 1.30 H new ATOM 0 HA3 GLY A 82 -9.364 8.283 6.136 1.00 1.30 H new ATOM 933 N TYR A 83 -6.788 7.004 5.648 1.00 0.83 N ATOM 934 CA TYR A 83 -5.629 6.705 4.822 1.00 0.60 C ATOM 935 C TYR A 83 -4.585 5.968 5.642 1.00 0.51 C ATOM 936 O TYR A 83 -4.643 5.945 6.871 1.00 0.62 O ATOM 937 CB TYR A 83 -4.965 7.966 4.262 1.00 0.66 C ATOM 938 CG TYR A 83 -5.853 8.872 3.437 1.00 0.95 C ATOM 939 CD1 TYR A 83 -6.772 9.727 4.032 1.00 1.22 C ATOM 940 CD2 TYR A 83 -5.755 8.875 2.056 1.00 1.52 C ATOM 941 CE1 TYR A 83 -7.571 10.556 3.266 1.00 1.81 C ATOM 942 CE2 TYR A 83 -6.544 9.697 1.284 1.00 2.23 C ATOM 943 CZ TYR A 83 -7.452 10.535 1.890 1.00 2.34 C ATOM 944 OH TYR A 83 -8.243 11.349 1.114 1.00 3.05 O ATOM 0 H TYR A 83 -6.559 7.291 6.600 1.00 0.83 H new ATOM 0 HA TYR A 83 -5.991 6.097 3.993 1.00 0.60 H new ATOM 0 HB2 TYR A 83 -4.565 8.543 5.096 1.00 0.66 H new ATOM 0 HB3 TYR A 83 -4.117 7.664 3.648 1.00 0.66 H new ATOM 0 HD1 TYR A 83 -6.864 9.745 5.108 1.00 1.22 H new ATOM 0 HD2 TYR A 83 -5.045 8.219 1.575 1.00 1.52 H new ATOM 0 HE1 TYR A 83 -8.283 11.215 3.740 1.00 1.81 H new ATOM 0 HE2 TYR A 83 -6.451 9.684 0.208 1.00 2.23 H new ATOM 0 HH TYR A 83 -8.028 11.208 0.168 1.00 3.05 H new ATOM 954 N ILE A 84 -3.627 5.395 4.946 1.00 0.42 N ATOM 955 CA ILE A 84 -2.502 4.719 5.566 1.00 0.41 C ATOM 956 C ILE A 84 -1.258 5.593 5.476 1.00 0.38 C ATOM 957 O ILE A 84 -1.229 6.564 4.715 1.00 0.42 O ATOM 958 CB ILE A 84 -2.223 3.377 4.867 1.00 0.51 C ATOM 959 CG1 ILE A 84 -1.848 3.631 3.401 1.00 0.62 C ATOM 960 CG2 ILE A 84 -3.434 2.460 4.976 1.00 0.64 C ATOM 961 CD1 ILE A 84 -1.875 2.399 2.537 1.00 0.72 C ATOM 0 H ILE A 84 -3.604 5.384 3.926 1.00 0.42 H new ATOM 0 HA ILE A 84 -2.750 4.533 6.611 1.00 0.41 H new ATOM 0 HB ILE A 84 -1.387 2.879 5.358 1.00 0.51 H new ATOM 0 HG12 ILE A 84 -2.534 4.369 2.984 1.00 0.62 H new ATOM 0 HG13 ILE A 84 -0.850 4.067 3.363 1.00 0.62 H new ATOM 0 HG21 ILE A 84 -3.221 1.515 4.477 1.00 0.64 H new ATOM 0 HG22 ILE A 84 -3.656 2.273 6.027 1.00 0.64 H new ATOM 0 HG23 ILE A 84 -4.294 2.935 4.503 1.00 0.64 H new ATOM 0 HD11 ILE A 84 -1.598 2.664 1.517 1.00 0.72 H new ATOM 0 HD12 ILE A 84 -1.168 1.666 2.926 1.00 0.72 H new ATOM 0 HD13 ILE A 84 -2.878 1.973 2.542 1.00 0.72 H new ATOM 973 N GLY A 85 -0.236 5.244 6.235 1.00 0.40 N ATOM 974 CA GLY A 85 0.997 6.002 6.212 1.00 0.42 C ATOM 975 C GLY A 85 2.068 5.283 5.422 1.00 0.37 C ATOM 976 O GLY A 85 1.906 4.109 5.092 1.00 0.37 O ATOM 0 H GLY A 85 -0.236 4.446 6.870 1.00 0.40 H new ATOM 0 HA2 GLY A 85 0.815 6.983 5.773 1.00 0.42 H new ATOM 0 HA3 GLY A 85 1.344 6.168 7.232 1.00 0.42 H new ATOM 980 N PHE A 86 3.151 5.981 5.094 1.00 0.38 N ATOM 981 CA PHE A 86 4.245 5.386 4.345 1.00 0.35 C ATOM 982 C PHE A 86 4.805 4.171 5.084 1.00 0.40 C ATOM 983 O PHE A 86 5.135 3.156 4.466 1.00 0.43 O ATOM 984 CB PHE A 86 5.347 6.416 4.119 1.00 0.39 C ATOM 985 CG PHE A 86 6.497 5.875 3.331 1.00 0.43 C ATOM 986 CD1 PHE A 86 6.308 5.450 2.032 1.00 0.48 C ATOM 987 CD2 PHE A 86 7.756 5.779 3.892 1.00 0.61 C ATOM 988 CE1 PHE A 86 7.352 4.936 1.301 1.00 0.58 C ATOM 989 CE2 PHE A 86 8.809 5.267 3.165 1.00 0.71 C ATOM 990 CZ PHE A 86 8.608 4.843 1.867 1.00 0.65 C ATOM 0 H PHE A 86 3.292 6.962 5.337 1.00 0.38 H new ATOM 0 HA PHE A 86 3.863 5.057 3.379 1.00 0.35 H new ATOM 0 HB2 PHE A 86 4.930 7.278 3.598 1.00 0.39 H new ATOM 0 HB3 PHE A 86 5.709 6.771 5.084 1.00 0.39 H new ATOM 0 HD1 PHE A 86 5.328 5.522 1.584 1.00 0.48 H new ATOM 0 HD2 PHE A 86 7.916 6.108 4.908 1.00 0.61 H new ATOM 0 HE1 PHE A 86 7.190 4.605 0.286 1.00 0.58 H new ATOM 0 HE2 PHE A 86 9.790 5.198 3.611 1.00 0.71 H new ATOM 0 HZ PHE A 86 9.431 4.440 1.296 1.00 0.65 H new ATOM 1000 N ASP A 87 4.892 4.280 6.408 1.00 0.47 N ATOM 1001 CA ASP A 87 5.354 3.175 7.250 1.00 0.57 C ATOM 1002 C ASP A 87 4.470 1.956 7.057 1.00 0.56 C ATOM 1003 O ASP A 87 4.941 0.819 7.081 1.00 0.68 O ATOM 1004 CB ASP A 87 5.334 3.568 8.729 1.00 0.71 C ATOM 1005 CG ASP A 87 6.397 4.579 9.086 1.00 1.38 C ATOM 1006 OD1 ASP A 87 7.573 4.185 9.234 1.00 1.82 O ATOM 1007 OD2 ASP A 87 6.061 5.772 9.214 1.00 2.13 O ATOM 0 H ASP A 87 4.648 5.125 6.924 1.00 0.47 H new ATOM 0 HA ASP A 87 6.376 2.941 6.954 1.00 0.57 H new ATOM 0 HB2 ASP A 87 4.354 3.976 8.977 1.00 0.71 H new ATOM 0 HB3 ASP A 87 5.471 2.675 9.338 1.00 0.71 H new ATOM 1012 N ASP A 88 3.190 2.209 6.857 1.00 0.52 N ATOM 1013 CA ASP A 88 2.206 1.148 6.717 1.00 0.58 C ATOM 1014 C ASP A 88 2.273 0.541 5.325 1.00 0.59 C ATOM 1015 O ASP A 88 2.311 -0.678 5.167 1.00 0.80 O ATOM 1016 CB ASP A 88 0.810 1.698 6.983 1.00 0.64 C ATOM 1017 CG ASP A 88 -0.202 0.597 7.179 1.00 1.27 C ATOM 1018 OD1 ASP A 88 -0.183 -0.049 8.241 1.00 1.21 O ATOM 1019 OD2 ASP A 88 -1.012 0.385 6.254 1.00 2.13 O ATOM 0 H ASP A 88 2.803 3.150 6.787 1.00 0.52 H new ATOM 0 HA ASP A 88 2.426 0.367 7.445 1.00 0.58 H new ATOM 0 HB2 ASP A 88 0.833 2.332 7.869 1.00 0.64 H new ATOM 0 HB3 ASP A 88 0.503 2.328 6.148 1.00 0.64 H new ATOM 1024 N PHE A 89 2.338 1.414 4.322 1.00 0.45 N ATOM 1025 CA PHE A 89 2.410 1.008 2.930 1.00 0.45 C ATOM 1026 C PHE A 89 3.627 0.123 2.703 1.00 0.45 C ATOM 1027 O PHE A 89 3.609 -0.810 1.894 1.00 0.46 O ATOM 1028 CB PHE A 89 2.498 2.261 2.056 1.00 0.44 C ATOM 1029 CG PHE A 89 2.696 1.975 0.605 1.00 0.46 C ATOM 1030 CD1 PHE A 89 1.707 1.358 -0.135 1.00 0.55 C ATOM 1031 CD2 PHE A 89 3.881 2.320 -0.015 1.00 0.46 C ATOM 1032 CE1 PHE A 89 1.894 1.087 -1.471 1.00 0.60 C ATOM 1033 CE2 PHE A 89 4.079 2.054 -1.348 1.00 0.50 C ATOM 1034 CZ PHE A 89 3.083 1.436 -2.084 1.00 0.56 C ATOM 0 H PHE A 89 2.342 2.425 4.458 1.00 0.45 H new ATOM 0 HA PHE A 89 1.519 0.438 2.667 1.00 0.45 H new ATOM 0 HB2 PHE A 89 1.585 2.843 2.180 1.00 0.44 H new ATOM 0 HB3 PHE A 89 3.322 2.881 2.409 1.00 0.44 H new ATOM 0 HD1 PHE A 89 0.776 1.085 0.340 1.00 0.55 H new ATOM 0 HD2 PHE A 89 4.660 2.804 0.555 1.00 0.46 H new ATOM 0 HE1 PHE A 89 1.114 0.603 -2.039 1.00 0.60 H new ATOM 0 HE2 PHE A 89 5.011 2.327 -1.821 1.00 0.50 H new ATOM 0 HZ PHE A 89 3.234 1.227 -3.133 1.00 0.56 H new ATOM 1044 N LEU A 90 4.674 0.427 3.444 1.00 0.45 N ATOM 1045 CA LEU A 90 5.921 -0.299 3.368 1.00 0.44 C ATOM 1046 C LEU A 90 5.737 -1.756 3.750 1.00 0.43 C ATOM 1047 O LEU A 90 6.274 -2.650 3.102 1.00 0.46 O ATOM 1048 CB LEU A 90 6.927 0.359 4.291 1.00 0.46 C ATOM 1049 CG LEU A 90 8.227 0.752 3.610 1.00 0.60 C ATOM 1050 CD1 LEU A 90 8.915 1.869 4.372 1.00 1.41 C ATOM 1051 CD2 LEU A 90 9.139 -0.459 3.486 1.00 1.14 C ATOM 0 H LEU A 90 4.681 1.191 4.120 1.00 0.45 H new ATOM 0 HA LEU A 90 6.282 -0.272 2.340 1.00 0.44 H new ATOM 0 HB2 LEU A 90 6.475 1.249 4.729 1.00 0.46 H new ATOM 0 HB3 LEU A 90 7.151 -0.322 5.112 1.00 0.46 H new ATOM 0 HG LEU A 90 8.000 1.119 2.609 1.00 0.60 H new ATOM 0 HD11 LEU A 90 9.844 2.135 3.868 1.00 1.41 H new ATOM 0 HD12 LEU A 90 8.261 2.740 4.411 1.00 1.41 H new ATOM 0 HD13 LEU A 90 9.136 1.536 5.386 1.00 1.41 H new ATOM 0 HD21 LEU A 90 10.068 -0.166 2.997 1.00 1.14 H new ATOM 0 HD22 LEU A 90 9.360 -0.851 4.479 1.00 1.14 H new ATOM 0 HD23 LEU A 90 8.644 -1.228 2.894 1.00 1.14 H new ATOM 1063 N ASP A 91 4.946 -1.997 4.782 1.00 0.45 N ATOM 1064 CA ASP A 91 4.740 -3.351 5.268 1.00 0.50 C ATOM 1065 C ASP A 91 3.809 -4.130 4.353 1.00 0.52 C ATOM 1066 O ASP A 91 3.563 -5.307 4.576 1.00 0.59 O ATOM 1067 CB ASP A 91 4.209 -3.368 6.698 1.00 0.56 C ATOM 1068 CG ASP A 91 5.266 -3.801 7.693 1.00 1.14 C ATOM 1069 OD1 ASP A 91 6.009 -2.926 8.192 1.00 1.85 O ATOM 1070 OD2 ASP A 91 5.357 -5.010 7.993 1.00 1.84 O ATOM 0 H ASP A 91 4.439 -1.277 5.297 1.00 0.45 H new ATOM 0 HA ASP A 91 5.716 -3.837 5.267 1.00 0.50 H new ATOM 0 HB2 ASP A 91 3.849 -2.374 6.962 1.00 0.56 H new ATOM 0 HB3 ASP A 91 3.356 -4.043 6.759 1.00 0.56 H new ATOM 1075 N ILE A 92 3.289 -3.453 3.338 1.00 0.51 N ATOM 1076 CA ILE A 92 2.426 -4.063 2.325 1.00 0.55 C ATOM 1077 C ILE A 92 3.237 -4.460 1.122 1.00 0.53 C ATOM 1078 O ILE A 92 3.087 -5.560 0.583 1.00 0.60 O ATOM 1079 CB ILE A 92 1.358 -3.071 1.885 1.00 0.58 C ATOM 1080 CG1 ILE A 92 0.733 -2.462 3.127 1.00 0.65 C ATOM 1081 CG2 ILE A 92 0.327 -3.755 1.000 1.00 0.62 C ATOM 1082 CD1 ILE A 92 -0.250 -3.370 3.823 1.00 1.30 C ATOM 0 H ILE A 92 3.453 -2.457 3.190 1.00 0.51 H new ATOM 0 HA ILE A 92 1.957 -4.945 2.760 1.00 0.55 H new ATOM 0 HB ILE A 92 1.800 -2.274 1.287 1.00 0.58 H new ATOM 0 HG12 ILE A 92 1.525 -2.195 3.827 1.00 0.65 H new ATOM 0 HG13 ILE A 92 0.226 -1.537 2.851 1.00 0.65 H new ATOM 0 HG21 ILE A 92 -0.428 -3.031 0.695 1.00 0.62 H new ATOM 0 HG22 ILE A 92 0.818 -4.161 0.116 1.00 0.62 H new ATOM 0 HG23 ILE A 92 -0.149 -4.564 1.554 1.00 0.62 H new ATOM 0 HD11 ILE A 92 -0.654 -2.865 4.701 1.00 1.30 H new ATOM 0 HD12 ILE A 92 -1.063 -3.617 3.141 1.00 1.30 H new ATOM 0 HD13 ILE A 92 0.255 -4.285 4.132 1.00 1.30 H new ATOM 1094 N MET A 93 4.104 -3.563 0.707 1.00 0.47 N ATOM 1095 CA MET A 93 5.076 -3.891 -0.305 1.00 0.48 C ATOM 1096 C MET A 93 5.939 -5.031 0.199 1.00 0.49 C ATOM 1097 O MET A 93 6.473 -5.817 -0.574 1.00 0.55 O ATOM 1098 CB MET A 93 5.927 -2.677 -0.648 1.00 0.50 C ATOM 1099 CG MET A 93 5.159 -1.603 -1.392 1.00 0.61 C ATOM 1100 SD MET A 93 6.223 -0.582 -2.428 1.00 0.57 S ATOM 1101 CE MET A 93 6.933 -1.823 -3.508 1.00 0.63 C ATOM 0 H MET A 93 4.154 -2.605 1.055 1.00 0.47 H new ATOM 0 HA MET A 93 4.565 -4.199 -1.217 1.00 0.48 H new ATOM 0 HB2 MET A 93 6.333 -2.254 0.271 1.00 0.50 H new ATOM 0 HB3 MET A 93 6.775 -2.995 -1.255 1.00 0.50 H new ATOM 0 HG2 MET A 93 4.395 -2.072 -2.013 1.00 0.61 H new ATOM 0 HG3 MET A 93 4.641 -0.968 -0.673 1.00 0.61 H new ATOM 0 HE1 MET A 93 6.944 -1.451 -4.532 1.00 0.63 H new ATOM 0 HE2 MET A 93 7.952 -2.042 -3.190 1.00 0.63 H new ATOM 0 HE3 MET A 93 6.335 -2.733 -3.459 1.00 0.63 H new ATOM 1111 N THR A 94 6.054 -5.115 1.514 1.00 0.48 N ATOM 1112 CA THR A 94 6.753 -6.216 2.143 1.00 0.54 C ATOM 1113 C THR A 94 5.782 -7.298 2.613 1.00 0.61 C ATOM 1114 O THR A 94 6.199 -8.396 2.963 1.00 0.74 O ATOM 1115 CB THR A 94 7.600 -5.731 3.331 1.00 0.59 C ATOM 1116 OG1 THR A 94 6.768 -5.089 4.293 1.00 0.64 O ATOM 1117 CG2 THR A 94 8.668 -4.764 2.857 1.00 0.60 C ATOM 0 H THR A 94 5.670 -4.430 2.166 1.00 0.48 H new ATOM 0 HA THR A 94 7.414 -6.645 1.390 1.00 0.54 H new ATOM 0 HB THR A 94 8.081 -6.595 3.789 1.00 0.59 H new ATOM 0 HG1 THR A 94 6.461 -4.229 3.938 1.00 0.64 H new ATOM 0 HG21 THR A 94 9.260 -4.429 3.709 1.00 0.60 H new ATOM 0 HG22 THR A 94 9.317 -5.263 2.138 1.00 0.60 H new ATOM 0 HG23 THR A 94 8.195 -3.904 2.383 1.00 0.60 H new ATOM 1125 N GLU A 95 4.485 -6.996 2.607 1.00 0.58 N ATOM 1126 CA GLU A 95 3.490 -7.907 3.166 1.00 0.68 C ATOM 1127 C GLU A 95 3.527 -9.247 2.477 1.00 0.71 C ATOM 1128 O GLU A 95 3.821 -10.270 3.090 1.00 0.79 O ATOM 1129 CB GLU A 95 2.072 -7.359 3.051 1.00 0.72 C ATOM 1130 CG GLU A 95 1.031 -8.325 3.598 1.00 0.92 C ATOM 1131 CD GLU A 95 -0.330 -7.698 3.800 1.00 1.32 C ATOM 1132 OE1 GLU A 95 -1.152 -7.735 2.860 1.00 2.09 O ATOM 1133 OE2 GLU A 95 -0.592 -7.195 4.916 1.00 1.67 O ATOM 0 H GLU A 95 4.101 -6.132 2.223 1.00 0.58 H new ATOM 0 HA GLU A 95 3.748 -8.015 4.219 1.00 0.68 H new ATOM 0 HB2 GLU A 95 2.006 -6.414 3.590 1.00 0.72 H new ATOM 0 HB3 GLU A 95 1.852 -7.145 2.005 1.00 0.72 H new ATOM 0 HG2 GLU A 95 0.935 -9.168 2.914 1.00 0.92 H new ATOM 0 HG3 GLU A 95 1.383 -8.724 4.549 1.00 0.92 H new ATOM 1140 N LYS A 96 3.255 -9.218 1.188 1.00 0.68 N ATOM 1141 CA LYS A 96 3.033 -10.428 0.435 1.00 0.75 C ATOM 1142 C LYS A 96 4.293 -11.304 0.337 1.00 0.77 C ATOM 1143 O LYS A 96 4.206 -12.476 -0.016 1.00 0.90 O ATOM 1144 CB LYS A 96 2.468 -10.091 -0.954 1.00 0.78 C ATOM 1145 CG LYS A 96 3.165 -8.926 -1.643 1.00 0.75 C ATOM 1146 CD LYS A 96 4.561 -9.303 -2.092 1.00 0.89 C ATOM 1147 CE LYS A 96 5.466 -8.093 -2.193 1.00 0.80 C ATOM 1148 NZ LYS A 96 5.119 -7.223 -3.346 1.00 1.16 N ATOM 0 H LYS A 96 3.183 -8.361 0.640 1.00 0.68 H new ATOM 0 HA LYS A 96 2.297 -11.022 0.977 1.00 0.75 H new ATOM 0 HB2 LYS A 96 2.545 -10.973 -1.589 1.00 0.78 H new ATOM 0 HB3 LYS A 96 1.407 -9.860 -0.857 1.00 0.78 H new ATOM 0 HG2 LYS A 96 2.578 -8.607 -2.504 1.00 0.75 H new ATOM 0 HG3 LYS A 96 3.218 -8.077 -0.961 1.00 0.75 H new ATOM 0 HD2 LYS A 96 4.988 -10.018 -1.389 1.00 0.89 H new ATOM 0 HD3 LYS A 96 4.509 -9.800 -3.061 1.00 0.89 H new ATOM 0 HE2 LYS A 96 5.399 -7.515 -1.272 1.00 0.80 H new ATOM 0 HE3 LYS A 96 6.500 -8.423 -2.288 1.00 0.80 H new ATOM 0 HZ1 LYS A 96 5.765 -6.409 -3.373 1.00 1.16 H new ATOM 0 HZ2 LYS A 96 5.207 -7.765 -4.229 1.00 1.16 H new ATOM 0 HZ3 LYS A 96 4.141 -6.885 -3.244 1.00 1.16 H new ATOM 1162 N ILE A 97 5.464 -10.731 0.620 1.00 0.72 N ATOM 1163 CA ILE A 97 6.707 -11.505 0.611 1.00 0.78 C ATOM 1164 C ILE A 97 7.114 -11.955 2.013 1.00 0.86 C ATOM 1165 O ILE A 97 7.641 -13.048 2.197 1.00 0.97 O ATOM 1166 CB ILE A 97 7.883 -10.751 -0.061 1.00 0.78 C ATOM 1167 CG1 ILE A 97 8.016 -9.314 0.442 1.00 0.73 C ATOM 1168 CG2 ILE A 97 7.744 -10.774 -1.574 1.00 0.90 C ATOM 1169 CD1 ILE A 97 8.845 -9.202 1.699 1.00 0.79 C ATOM 0 H ILE A 97 5.578 -9.745 0.856 1.00 0.72 H new ATOM 0 HA ILE A 97 6.491 -12.388 0.010 1.00 0.78 H new ATOM 0 HB ILE A 97 8.796 -11.276 0.218 1.00 0.78 H new ATOM 0 HG12 ILE A 97 8.467 -8.702 -0.339 1.00 0.73 H new ATOM 0 HG13 ILE A 97 7.022 -8.908 0.632 1.00 0.73 H new ATOM 0 HG21 ILE A 97 8.580 -10.239 -2.024 1.00 0.90 H new ATOM 0 HG22 ILE A 97 7.743 -11.806 -1.924 1.00 0.90 H new ATOM 0 HG23 ILE A 97 6.809 -10.293 -1.861 1.00 0.90 H new ATOM 0 HD11 ILE A 97 8.902 -8.158 2.005 1.00 0.79 H new ATOM 0 HD12 ILE A 97 8.383 -9.788 2.493 1.00 0.79 H new ATOM 0 HD13 ILE A 97 9.850 -9.579 1.507 1.00 0.79 H new ATOM 1181 N LYS A 98 6.881 -11.105 2.998 1.00 0.93 N ATOM 1182 CA LYS A 98 7.213 -11.422 4.378 1.00 1.13 C ATOM 1183 C LYS A 98 6.215 -12.431 4.922 1.00 1.19 C ATOM 1184 O LYS A 98 6.568 -13.342 5.669 1.00 1.39 O ATOM 1185 CB LYS A 98 7.224 -10.129 5.197 1.00 1.33 C ATOM 1186 CG LYS A 98 6.662 -10.253 6.601 1.00 1.54 C ATOM 1187 CD LYS A 98 6.142 -8.912 7.088 1.00 1.29 C ATOM 1188 CE LYS A 98 5.212 -8.289 6.060 1.00 1.14 C ATOM 1189 NZ LYS A 98 4.490 -7.102 6.599 1.00 1.56 N ATOM 0 H LYS A 98 6.461 -10.185 2.867 1.00 0.93 H new ATOM 0 HA LYS A 98 8.204 -11.872 4.441 1.00 1.13 H new ATOM 0 HB2 LYS A 98 8.250 -9.768 5.263 1.00 1.33 H new ATOM 0 HB3 LYS A 98 6.654 -9.372 4.659 1.00 1.33 H new ATOM 0 HG2 LYS A 98 5.857 -10.988 6.613 1.00 1.54 H new ATOM 0 HG3 LYS A 98 7.435 -10.617 7.277 1.00 1.54 H new ATOM 0 HD2 LYS A 98 5.613 -9.043 8.032 1.00 1.29 H new ATOM 0 HD3 LYS A 98 6.979 -8.241 7.282 1.00 1.29 H new ATOM 0 HE2 LYS A 98 5.788 -7.994 5.183 1.00 1.14 H new ATOM 0 HE3 LYS A 98 4.488 -9.033 5.730 1.00 1.14 H new ATOM 0 HZ1 LYS A 98 4.100 -6.546 5.811 1.00 1.56 H new ATOM 0 HZ2 LYS A 98 3.715 -7.418 7.216 1.00 1.56 H new ATOM 0 HZ3 LYS A 98 5.150 -6.513 7.146 1.00 1.56 H new ATOM 1203 N ASN A 99 4.973 -12.281 4.505 1.00 1.11 N ATOM 1204 CA ASN A 99 3.926 -13.225 4.841 1.00 1.24 C ATOM 1205 C ASN A 99 3.561 -14.003 3.582 1.00 1.27 C ATOM 1206 O ASN A 99 2.399 -14.314 3.326 1.00 1.57 O ATOM 1207 CB ASN A 99 2.712 -12.487 5.417 1.00 1.30 C ATOM 1208 CG ASN A 99 1.714 -13.420 6.076 1.00 1.53 C ATOM 1209 OD1 ASN A 99 1.901 -13.838 7.216 1.00 1.97 O ATOM 1210 ND2 ASN A 99 0.631 -13.728 5.381 1.00 1.86 N ATOM 0 H ASN A 99 4.662 -11.502 3.924 1.00 1.11 H new ATOM 0 HA ASN A 99 4.272 -13.922 5.605 1.00 1.24 H new ATOM 0 HB2 ASN A 99 3.052 -11.752 6.147 1.00 1.30 H new ATOM 0 HB3 ASN A 99 2.215 -11.936 4.618 1.00 1.30 H new ATOM 0 HD21 ASN A 99 -0.083 -14.331 5.790 1.00 1.86 H new ATOM 0 HD22 ASN A 99 0.510 -13.362 4.437 1.00 1.86 H new ATOM 1217 N ARG A 100 4.589 -14.310 2.792 1.00 1.20 N ATOM 1218 CA ARG A 100 4.406 -15.057 1.552 1.00 1.28 C ATOM 1219 C ARG A 100 3.895 -16.462 1.854 1.00 1.61 C ATOM 1220 O ARG A 100 3.272 -17.112 1.013 1.00 1.75 O ATOM 1221 CB ARG A 100 5.713 -15.145 0.761 1.00 1.26 C ATOM 1222 CG ARG A 100 6.839 -15.844 1.504 1.00 1.58 C ATOM 1223 CD ARG A 100 8.081 -15.960 0.639 1.00 1.70 C ATOM 1224 NE ARG A 100 9.266 -16.294 1.422 1.00 2.35 N ATOM 1225 CZ ARG A 100 10.246 -17.084 0.994 1.00 2.88 C ATOM 1226 NH1 ARG A 100 10.122 -17.749 -0.150 1.00 2.86 N ATOM 1227 NH2 ARG A 100 11.335 -17.244 1.734 1.00 3.81 N ATOM 0 H ARG A 100 5.556 -14.052 2.990 1.00 1.20 H new ATOM 0 HA ARG A 100 3.672 -14.525 0.947 1.00 1.28 H new ATOM 0 HB2 ARG A 100 5.525 -15.673 -0.174 1.00 1.26 H new ATOM 0 HB3 ARG A 100 6.035 -14.137 0.498 1.00 1.26 H new ATOM 0 HG2 ARG A 100 7.076 -15.291 2.413 1.00 1.58 H new ATOM 0 HG3 ARG A 100 6.513 -16.838 1.811 1.00 1.58 H new ATOM 0 HD2 ARG A 100 7.922 -16.724 -0.122 1.00 1.70 H new ATOM 0 HD3 ARG A 100 8.247 -15.019 0.115 1.00 1.70 H new ATOM 0 HE ARG A 100 9.348 -15.896 2.358 1.00 2.35 H new ATOM 0 HH11 ARG A 100 9.271 -17.655 -0.705 1.00 2.86 H new ATOM 0 HH12 ARG A 100 10.877 -18.353 -0.473 1.00 2.86 H new ATOM 0 HH21 ARG A 100 11.419 -16.762 2.629 1.00 3.81 H new ATOM 0 HH22 ARG A 100 12.088 -17.849 1.408 1.00 3.81 H new