USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= -0.146 USER MOD Set 1.2: A 91 THR OG1 : rot -52:sc= 0.00241 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -162:sc= -0.0128 (180deg=-0.129) USER MOD Single : A 12 SER OG : rot 14:sc= 0.281! USER MOD Single : A 13 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.023) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.21) USER MOD Single : A 22 LYS NZ :NH3+ -138:sc= 0.104 (180deg=0) USER MOD Single : A 23 TYR OH : rot -21:sc= 0.742 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -166:sc= 0 (180deg=-0.0787) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 179:sc= -2.59 (180deg=-2.59) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0448 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.8!) USER MOD Single : A 65 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.94) USER MOD Single : A 70 THR OG1 : rot -63:sc= 1.42 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 1.04 K(o=1,f=-0.63) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 60:sc= 0.567 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 5.193 15.781 28.565 1.00 0.00 N ATOM 34 CA LYS A 3 6.288 15.069 29.216 1.00 0.00 C ATOM 35 C LYS A 3 7.409 16.038 29.567 1.00 0.00 C ATOM 36 O LYS A 3 8.539 15.892 29.101 1.00 0.00 O ATOM 37 CB LYS A 3 6.817 13.971 28.299 1.00 0.00 C ATOM 38 CG LYS A 3 7.376 12.802 29.104 1.00 0.00 C ATOM 39 CD LYS A 3 8.122 11.818 28.208 1.00 0.00 C ATOM 40 CE LYS A 3 9.415 12.428 27.675 1.00 0.00 C ATOM 41 NZ LYS A 3 10.519 11.427 27.657 1.00 0.00 N ATOM 0 HA LYS A 3 5.914 14.615 30.134 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.016 13.619 27.649 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.596 14.377 27.653 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.049 13.177 29.875 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.562 12.287 29.615 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.349 10.911 28.769 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.484 11.526 27.374 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.251 12.810 26.667 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.702 13.277 28.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.385 11.871 27.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.690 11.081 28.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.254 10.629 27.046 1.00 0.00 H new ATOM 55 N VAL A 4 7.086 17.031 30.389 1.00 0.00 N ATOM 56 CA VAL A 4 8.064 18.032 30.804 1.00 0.00 C ATOM 57 C VAL A 4 9.024 17.448 31.825 1.00 0.00 C ATOM 58 O VAL A 4 8.758 16.412 32.436 1.00 0.00 O ATOM 59 CB VAL A 4 7.350 19.257 31.384 1.00 0.00 C ATOM 60 CG1 VAL A 4 6.290 18.834 32.397 1.00 0.00 C ATOM 61 CG2 VAL A 4 8.331 20.241 32.024 1.00 0.00 C ATOM 0 H VAL A 4 6.154 17.165 30.782 1.00 0.00 H new ATOM 0 HA VAL A 4 8.638 18.341 29.930 1.00 0.00 H new ATOM 0 HB VAL A 4 6.863 19.769 30.554 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.795 19.719 32.797 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.554 18.196 31.908 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.763 18.284 33.211 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.782 21.094 32.422 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.868 19.745 32.833 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.043 20.585 31.274 1.00 0.00 H new ATOM 71 N THR A 5 10.140 18.134 32.003 1.00 0.00 N ATOM 72 CA THR A 5 11.163 17.713 32.952 1.00 0.00 C ATOM 73 C THR A 5 11.725 18.922 33.687 1.00 0.00 C ATOM 74 O THR A 5 11.787 20.021 33.136 1.00 0.00 O ATOM 75 CB THR A 5 12.285 16.976 32.226 1.00 0.00 C ATOM 76 OG1 THR A 5 12.529 17.582 30.966 1.00 0.00 O ATOM 77 CG2 THR A 5 11.934 15.503 32.039 1.00 0.00 C ATOM 0 H THR A 5 10.364 18.992 31.499 1.00 0.00 H new ATOM 0 HA THR A 5 10.710 17.037 33.677 1.00 0.00 H new ATOM 0 HB THR A 5 13.187 17.039 32.834 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.251 17.104 30.508 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.748 14.998 31.519 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.782 15.039 33.013 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.020 15.419 31.450 1.00 0.00 H new ATOM 85 N PHE A 6 12.133 18.712 34.932 1.00 0.00 N ATOM 86 CA PHE A 6 12.691 19.785 35.746 1.00 0.00 C ATOM 87 C PHE A 6 14.080 19.403 36.234 1.00 0.00 C ATOM 88 O PHE A 6 14.351 18.237 36.516 1.00 0.00 O ATOM 89 CB PHE A 6 11.778 20.067 36.937 1.00 0.00 C ATOM 90 CG PHE A 6 10.484 20.733 36.539 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.481 19.993 35.935 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.298 22.085 36.776 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.293 20.604 35.569 1.00 0.00 C ATOM 94 CE2 PHE A 6 9.110 22.696 36.410 1.00 0.00 C ATOM 95 CZ PHE A 6 8.107 21.955 35.806 1.00 0.00 C ATOM 0 H PHE A 6 12.088 17.807 35.401 1.00 0.00 H new ATOM 0 HA PHE A 6 12.767 20.686 35.137 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.557 19.130 37.449 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.304 20.703 37.649 1.00 0.00 H new ATOM 0 HD1 PHE A 6 9.625 18.939 35.749 1.00 0.00 H new ATOM 0 HD2 PHE A 6 11.080 22.663 37.246 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.511 20.026 35.098 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.965 23.750 36.595 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.181 22.431 35.520 1.00 0.00 H new ATOM 105 N THR A 7 14.959 20.393 36.329 1.00 0.00 N ATOM 106 CA THR A 7 16.326 20.164 36.781 1.00 0.00 C ATOM 107 C THR A 7 16.846 21.389 37.521 1.00 0.00 C ATOM 108 O THR A 7 16.751 22.512 37.024 1.00 0.00 O ATOM 109 CB THR A 7 17.225 19.859 35.586 1.00 0.00 C ATOM 110 OG1 THR A 7 16.554 18.996 34.682 1.00 0.00 O ATOM 111 CG2 THR A 7 18.534 19.224 36.043 1.00 0.00 C ATOM 0 H THR A 7 14.749 21.364 36.099 1.00 0.00 H new ATOM 0 HA THR A 7 16.334 19.312 37.460 1.00 0.00 H new ATOM 0 HB THR A 7 17.456 20.796 35.080 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.137 18.806 33.917 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.159 19.015 35.175 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.057 19.909 36.711 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.323 18.294 36.570 1.00 0.00 H new ATOM 119 N VAL A 8 17.395 21.170 38.710 1.00 0.00 N ATOM 120 CA VAL A 8 17.929 22.261 39.519 1.00 0.00 C ATOM 121 C VAL A 8 19.238 22.770 38.927 1.00 0.00 C ATOM 122 O VAL A 8 20.291 22.160 39.106 1.00 0.00 O ATOM 123 CB VAL A 8 18.152 21.784 40.951 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.751 22.899 41.804 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.840 21.294 41.557 1.00 0.00 C ATOM 0 H VAL A 8 17.482 20.247 39.136 1.00 0.00 H new ATOM 0 HA VAL A 8 17.209 23.079 39.524 1.00 0.00 H new ATOM 0 HB VAL A 8 18.858 20.953 40.931 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.902 22.538 42.821 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.708 23.206 41.382 1.00 0.00 H new ATOM 0 HG13 VAL A 8 18.071 23.751 41.819 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.015 20.957 42.579 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.115 22.108 41.562 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.452 20.467 40.963 1.00 0.00 H new ATOM 135 N GLU A 9 19.162 23.894 38.220 1.00 0.00 N ATOM 136 CA GLU A 9 20.339 24.491 37.598 1.00 0.00 C ATOM 137 C GLU A 9 21.390 24.819 38.651 1.00 0.00 C ATOM 138 O GLU A 9 21.099 24.840 39.847 1.00 0.00 O ATOM 139 CB GLU A 9 19.944 25.760 36.846 1.00 0.00 C ATOM 140 CG GLU A 9 19.202 25.429 35.555 1.00 0.00 C ATOM 141 CD GLU A 9 19.711 26.303 34.417 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.181 27.427 34.693 1.00 0.00 O ATOM 143 OE2 GLU A 9 19.640 25.863 33.250 1.00 0.00 O ATOM 0 H GLU A 9 18.296 24.410 38.064 1.00 0.00 H new ATOM 0 HA GLU A 9 20.762 23.774 36.894 1.00 0.00 H new ATOM 0 HB2 GLU A 9 19.313 26.381 37.482 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.836 26.342 36.616 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.342 24.377 35.306 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.132 25.584 35.692 1.00 0.00 H new ATOM 150 N LYS A 10 22.612 25.078 38.198 1.00 0.00 N ATOM 151 CA LYS A 10 23.711 25.408 39.100 1.00 0.00 C ATOM 152 C LYS A 10 23.598 26.855 39.563 1.00 0.00 C ATOM 153 O LYS A 10 24.447 27.687 39.245 1.00 0.00 O ATOM 154 CB LYS A 10 25.047 25.192 38.393 1.00 0.00 C ATOM 155 CG LYS A 10 26.119 24.718 39.369 1.00 0.00 C ATOM 156 CD LYS A 10 27.070 25.852 39.740 1.00 0.00 C ATOM 157 CE LYS A 10 28.419 25.692 39.045 1.00 0.00 C ATOM 158 NZ LYS A 10 29.181 24.538 39.599 1.00 0.00 N ATOM 0 H LYS A 10 22.867 25.066 37.211 1.00 0.00 H new ATOM 0 HA LYS A 10 23.657 24.755 39.971 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.925 24.457 37.598 1.00 0.00 H new ATOM 0 HB3 LYS A 10 25.366 26.122 37.922 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.646 24.327 40.270 1.00 0.00 H new ATOM 0 HG3 LYS A 10 26.683 23.898 38.924 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.626 26.808 39.462 1.00 0.00 H new ATOM 0 HD3 LYS A 10 27.215 25.870 40.820 1.00 0.00 H new ATOM 0 HE2 LYS A 10 28.265 25.549 37.976 1.00 0.00 H new ATOM 0 HE3 LYS A 10 29.002 26.606 39.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 30.185 24.629 39.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 29.089 24.526 40.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 28.803 23.652 39.207 1.00 0.00 H new ATOM 172 N GLY A 11 22.543 27.148 40.316 1.00 0.00 N ATOM 173 CA GLY A 11 22.316 28.497 40.823 1.00 0.00 C ATOM 174 C GLY A 11 21.470 28.464 42.090 1.00 0.00 C ATOM 175 O GLY A 11 20.679 29.373 42.342 1.00 0.00 O ATOM 0 H GLY A 11 21.832 26.470 40.589 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.272 28.978 41.031 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.816 29.097 40.062 1.00 0.00 H new ATOM 179 N SER A 12 21.644 27.415 42.887 1.00 0.00 N ATOM 180 CA SER A 12 20.897 27.267 44.132 1.00 0.00 C ATOM 181 C SER A 12 21.553 28.081 45.239 1.00 0.00 C ATOM 182 O SER A 12 22.761 27.987 45.457 1.00 0.00 O ATOM 183 CB SER A 12 20.836 25.796 44.535 1.00 0.00 C ATOM 184 OG SER A 12 22.045 25.401 45.165 1.00 0.00 O ATOM 0 H SER A 12 22.296 26.655 42.693 1.00 0.00 H new ATOM 0 HA SER A 12 19.883 27.635 43.977 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.997 25.633 45.211 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.660 25.179 43.654 1.00 0.00 H new ATOM 0 HG SER A 12 22.564 26.197 45.406 1.00 0.00 H new ATOM 190 N ASN A 13 20.754 28.881 45.937 1.00 0.00 N ATOM 191 CA ASN A 13 21.264 29.713 47.021 1.00 0.00 C ATOM 192 C ASN A 13 20.720 29.235 48.363 1.00 0.00 C ATOM 193 O ASN A 13 20.251 28.103 48.487 1.00 0.00 O ATOM 194 CB ASN A 13 20.881 31.172 46.786 1.00 0.00 C ATOM 195 CG ASN A 13 21.212 31.581 45.356 1.00 0.00 C ATOM 196 OD1 ASN A 13 22.267 32.157 45.093 1.00 0.00 O ATOM 197 ND2 ASN A 13 20.308 31.284 44.429 1.00 0.00 N ATOM 0 H ASN A 13 19.752 28.971 45.772 1.00 0.00 H new ATOM 0 HA ASN A 13 22.351 29.631 47.040 1.00 0.00 H new ATOM 0 HB2 ASN A 13 19.816 31.311 46.974 1.00 0.00 H new ATOM 0 HB3 ASN A 13 21.415 31.813 47.488 1.00 0.00 H new ATOM 0 HD21 ASN A 13 20.476 31.535 43.455 1.00 0.00 H new ATOM 0 HD22 ASN A 13 19.446 30.805 44.692 1.00 0.00 H new ATOM 204 N GLU A 14 20.796 30.101 49.369 1.00 0.00 N ATOM 205 CA GLU A 14 20.323 29.770 50.711 1.00 0.00 C ATOM 206 C GLU A 14 18.913 29.191 50.670 1.00 0.00 C ATOM 207 O GLU A 14 18.716 28.000 50.913 1.00 0.00 O ATOM 208 CB GLU A 14 20.344 31.018 51.590 1.00 0.00 C ATOM 209 CG GLU A 14 21.414 30.913 52.673 1.00 0.00 C ATOM 210 CD GLU A 14 20.767 30.711 54.037 1.00 0.00 C ATOM 211 OE1 GLU A 14 20.123 29.660 54.241 1.00 0.00 O ATOM 212 OE2 GLU A 14 20.904 31.604 54.899 1.00 0.00 O ATOM 0 H GLU A 14 21.182 31.041 49.281 1.00 0.00 H new ATOM 0 HA GLU A 14 20.989 29.016 51.131 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.532 31.897 50.973 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.367 31.156 52.053 1.00 0.00 H new ATOM 0 HG2 GLU A 14 22.083 30.081 52.453 1.00 0.00 H new ATOM 0 HG3 GLU A 14 22.022 31.817 52.682 1.00 0.00 H new ATOM 219 N LYS A 15 17.933 30.039 50.374 1.00 0.00 N ATOM 220 CA LYS A 15 16.539 29.609 50.318 1.00 0.00 C ATOM 221 C LYS A 15 15.969 29.799 48.918 1.00 0.00 C ATOM 222 O LYS A 15 14.826 30.226 48.758 1.00 0.00 O ATOM 223 CB LYS A 15 15.712 30.401 51.326 1.00 0.00 C ATOM 224 CG LYS A 15 15.738 31.894 51.013 1.00 0.00 C ATOM 225 CD LYS A 15 15.037 32.699 52.104 1.00 0.00 C ATOM 226 CE LYS A 15 14.906 34.167 51.711 1.00 0.00 C ATOM 227 NZ LYS A 15 14.721 35.033 52.910 1.00 0.00 N ATOM 0 H LYS A 15 18.078 31.028 50.169 1.00 0.00 H new ATOM 0 HA LYS A 15 16.495 28.549 50.566 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.682 30.043 51.316 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.099 30.231 52.331 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.770 32.230 50.916 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.252 32.076 50.054 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.048 32.280 52.289 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.597 32.618 53.036 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.797 34.481 51.167 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.059 34.291 51.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.635 36.025 52.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.858 34.747 53.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.541 34.931 53.541 1.00 0.00 H new ATOM 241 N HIS A 16 16.769 29.478 47.907 1.00 0.00 N ATOM 242 CA HIS A 16 16.336 29.612 46.519 1.00 0.00 C ATOM 243 C HIS A 16 16.232 28.243 45.861 1.00 0.00 C ATOM 244 O HIS A 16 16.514 27.220 46.485 1.00 0.00 O ATOM 245 CB HIS A 16 17.317 30.486 45.746 1.00 0.00 C ATOM 246 CG HIS A 16 16.933 31.934 45.750 1.00 0.00 C ATOM 247 ND1 HIS A 16 17.151 32.767 46.816 1.00 0.00 N ATOM 248 CD2 HIS A 16 16.338 32.715 44.812 1.00 0.00 C ATOM 249 CE1 HIS A 16 16.723 33.981 46.561 1.00 0.00 C ATOM 250 NE2 HIS A 16 16.216 33.988 45.338 1.00 0.00 N ATOM 0 H HIS A 16 17.719 29.124 48.021 1.00 0.00 H new ATOM 0 HA HIS A 16 15.353 30.083 46.506 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.312 30.378 46.178 1.00 0.00 H new ATOM 0 HB3 HIS A 16 17.377 30.134 44.716 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.017 32.398 43.830 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.775 34.826 47.231 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.806 34.794 44.865 1.00 0.00 H new ATOM 258 N LEU A 17 15.824 28.230 44.596 1.00 0.00 N ATOM 259 CA LEU A 17 15.679 26.985 43.849 1.00 0.00 C ATOM 260 C LEU A 17 15.560 27.271 42.357 1.00 0.00 C ATOM 261 O LEU A 17 14.468 27.529 41.851 1.00 0.00 O ATOM 262 CB LEU A 17 14.444 26.231 44.332 1.00 0.00 C ATOM 263 CG LEU A 17 14.323 24.873 43.650 1.00 0.00 C ATOM 264 CD1 LEU A 17 15.565 24.027 43.916 1.00 0.00 C ATOM 265 CD2 LEU A 17 13.068 24.147 44.123 1.00 0.00 C ATOM 0 H LEU A 17 15.588 29.069 44.066 1.00 0.00 H new ATOM 0 HA LEU A 17 16.564 26.371 44.018 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.498 26.095 45.412 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.551 26.823 44.130 1.00 0.00 H new ATOM 0 HG LEU A 17 14.242 25.034 42.575 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.460 23.061 43.421 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.445 24.540 43.528 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.678 23.874 44.989 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.998 23.180 43.626 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.119 23.998 45.202 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.189 24.744 43.880 1.00 0.00 H new ATOM 277 N ALA A 18 16.689 27.222 41.657 1.00 0.00 N ATOM 278 CA ALA A 18 16.712 27.474 40.219 1.00 0.00 C ATOM 279 C ALA A 18 16.546 26.171 39.450 1.00 0.00 C ATOM 280 O ALA A 18 17.461 25.349 39.397 1.00 0.00 O ATOM 281 CB ALA A 18 18.026 28.143 39.827 1.00 0.00 C ATOM 0 H ALA A 18 17.601 27.010 42.062 1.00 0.00 H new ATOM 0 HA ALA A 18 15.884 28.137 39.969 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.034 28.327 38.753 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.125 29.090 40.358 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.859 27.491 40.090 1.00 0.00 H new ATOM 287 N VAL A 19 15.374 25.988 38.851 1.00 0.00 N ATOM 288 CA VAL A 19 15.086 24.784 38.080 1.00 0.00 C ATOM 289 C VAL A 19 15.468 24.988 36.620 1.00 0.00 C ATOM 290 O VAL A 19 16.055 26.006 36.257 1.00 0.00 O ATOM 291 CB VAL A 19 13.602 24.436 38.195 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.196 24.310 39.660 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.742 25.484 37.491 1.00 0.00 C ATOM 0 H VAL A 19 14.607 26.659 38.885 1.00 0.00 H new ATOM 0 HA VAL A 19 15.675 23.959 38.480 1.00 0.00 H new ATOM 0 HB VAL A 19 13.438 23.476 37.705 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.137 24.062 39.724 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.782 23.523 40.134 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.379 25.255 40.171 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.690 25.215 37.586 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.910 26.459 37.948 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.011 25.527 36.436 1.00 0.00 H new ATOM 303 N LEU A 20 15.132 24.011 35.788 1.00 0.00 N ATOM 304 CA LEU A 20 15.438 24.077 34.362 1.00 0.00 C ATOM 305 C LEU A 20 14.232 23.646 33.537 1.00 0.00 C ATOM 306 O LEU A 20 14.179 22.522 33.037 1.00 0.00 O ATOM 307 CB LEU A 20 16.632 23.181 34.044 1.00 0.00 C ATOM 308 CG LEU A 20 17.405 23.698 32.834 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.631 22.827 32.572 1.00 0.00 C ATOM 310 CD2 LEU A 20 16.505 23.741 31.602 1.00 0.00 C ATOM 0 H LEU A 20 14.647 23.161 36.075 1.00 0.00 H new ATOM 0 HA LEU A 20 15.685 25.108 34.107 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.294 23.133 34.908 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.286 22.165 33.851 1.00 0.00 H new ATOM 0 HG LEU A 20 17.742 24.712 33.048 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.171 23.210 31.706 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.284 22.846 33.444 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.315 21.802 32.379 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.073 24.112 30.749 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.138 22.738 31.385 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.660 24.404 31.791 1.00 0.00 H new ATOM 322 N VAL A 21 13.264 24.547 33.395 1.00 0.00 N ATOM 323 CA VAL A 21 12.056 24.260 32.626 1.00 0.00 C ATOM 324 C VAL A 21 12.284 24.564 31.151 1.00 0.00 C ATOM 325 O VAL A 21 12.232 25.719 30.730 1.00 0.00 O ATOM 326 CB VAL A 21 10.891 25.094 33.151 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.577 24.626 32.530 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.819 25.020 34.674 1.00 0.00 C ATOM 0 H VAL A 21 13.292 25.482 33.802 1.00 0.00 H new ATOM 0 HA VAL A 21 11.817 23.202 32.736 1.00 0.00 H new ATOM 0 HB VAL A 21 11.057 26.133 32.866 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.757 25.231 32.915 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.629 24.732 31.446 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.407 23.580 32.784 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.982 25.621 35.028 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.677 23.984 34.982 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.746 25.402 35.101 1.00 0.00 H new ATOM 338 N LYS A 22 12.535 23.520 30.367 1.00 0.00 N ATOM 339 CA LYS A 22 12.770 23.679 28.936 1.00 0.00 C ATOM 340 C LYS A 22 12.936 22.320 28.267 1.00 0.00 C ATOM 341 O LYS A 22 13.783 21.520 28.664 1.00 0.00 O ATOM 342 CB LYS A 22 14.017 24.529 28.705 1.00 0.00 C ATOM 343 CG LYS A 22 14.337 24.658 27.217 1.00 0.00 C ATOM 344 CD LYS A 22 13.117 25.120 26.424 1.00 0.00 C ATOM 345 CE LYS A 22 13.498 26.169 25.384 1.00 0.00 C ATOM 346 NZ LYS A 22 12.313 26.603 24.592 1.00 0.00 N ATOM 0 H LYS A 22 12.581 22.556 30.698 1.00 0.00 H new ATOM 0 HA LYS A 22 11.908 24.180 28.496 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.868 25.520 29.134 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.865 24.082 29.223 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.153 25.367 27.079 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.681 23.698 26.832 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.657 24.265 25.929 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.373 25.533 27.105 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.942 27.032 25.881 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.256 25.762 24.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.576 26.684 23.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.551 25.902 24.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.983 27.526 24.939 1.00 0.00 H new ATOM 360 N TYR A 23 12.122 22.068 27.247 1.00 0.00 N ATOM 361 CA TYR A 23 12.175 20.808 26.515 1.00 0.00 C ATOM 362 C TYR A 23 11.590 20.984 25.119 1.00 0.00 C ATOM 363 O TYR A 23 11.065 22.046 24.785 1.00 0.00 O ATOM 364 CB TYR A 23 11.403 19.731 27.272 1.00 0.00 C ATOM 365 CG TYR A 23 9.979 20.125 27.568 1.00 0.00 C ATOM 366 CD1 TYR A 23 9.682 20.841 28.715 1.00 0.00 C ATOM 367 CD2 TYR A 23 8.965 19.772 26.694 1.00 0.00 C ATOM 368 CE1 TYR A 23 8.373 21.203 28.986 1.00 0.00 C ATOM 369 CE2 TYR A 23 7.657 20.134 26.967 1.00 0.00 C ATOM 370 CZ TYR A 23 7.367 20.847 28.111 1.00 0.00 C ATOM 371 OH TYR A 23 6.067 21.206 28.382 1.00 0.00 O ATOM 0 H TYR A 23 11.416 22.722 26.908 1.00 0.00 H new ATOM 0 HA TYR A 23 13.217 20.500 26.423 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.406 18.811 26.687 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.916 19.514 28.209 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.471 21.117 29.399 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.195 19.214 25.798 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.140 21.763 29.880 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.866 19.859 26.286 1.00 0.00 H new ATOM 0 HH TYR A 23 5.971 21.389 29.340 1.00 0.00 H new ATOM 381 N GLU A 24 11.686 19.937 24.306 1.00 0.00 N ATOM 382 CA GLU A 24 11.167 19.976 22.942 1.00 0.00 C ATOM 383 C GLU A 24 9.653 20.145 22.952 1.00 0.00 C ATOM 384 O GLU A 24 8.929 19.307 23.489 1.00 0.00 O ATOM 385 CB GLU A 24 11.542 18.692 22.207 1.00 0.00 C ATOM 386 CG GLU A 24 12.367 18.991 20.959 1.00 0.00 C ATOM 387 CD GLU A 24 12.204 17.871 19.939 1.00 0.00 C ATOM 388 OE1 GLU A 24 11.087 17.713 19.403 1.00 0.00 O ATOM 389 OE2 GLU A 24 13.193 17.155 19.678 1.00 0.00 O ATOM 0 H GLU A 24 12.118 19.051 24.567 1.00 0.00 H new ATOM 0 HA GLU A 24 11.609 20.828 22.425 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.108 18.041 22.873 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.637 18.153 21.927 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.050 19.938 20.523 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.418 19.099 21.226 1.00 0.00 H new ATOM 396 N GLY A 25 9.179 21.232 22.352 1.00 0.00 N ATOM 397 CA GLY A 25 7.748 21.510 22.289 1.00 0.00 C ATOM 398 C GLY A 25 7.427 22.856 22.925 1.00 0.00 C ATOM 399 O GLY A 25 6.990 23.785 22.246 1.00 0.00 O ATOM 0 H GLY A 25 9.765 21.935 21.902 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.418 21.506 21.250 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.197 20.721 22.801 1.00 0.00 H new ATOM 403 N ASP A 26 7.641 22.954 24.233 1.00 0.00 N ATOM 404 CA ASP A 26 7.370 24.187 24.964 1.00 0.00 C ATOM 405 C ASP A 26 8.325 25.290 24.526 1.00 0.00 C ATOM 406 O ASP A 26 9.521 25.057 24.354 1.00 0.00 O ATOM 407 CB ASP A 26 7.511 23.944 26.464 1.00 0.00 C ATOM 408 CG ASP A 26 7.192 25.218 27.236 1.00 0.00 C ATOM 409 OD1 ASP A 26 6.405 26.042 26.726 1.00 0.00 O ATOM 410 OD2 ASP A 26 7.730 25.389 28.350 1.00 0.00 O ATOM 0 H ASP A 26 8.002 22.194 24.809 1.00 0.00 H new ATOM 0 HA ASP A 26 6.350 24.503 24.745 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.839 23.144 26.775 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.525 23.616 26.693 1.00 0.00 H new ATOM 415 N THR A 27 7.788 26.493 24.351 1.00 0.00 N ATOM 416 CA THR A 27 8.591 27.639 23.935 1.00 0.00 C ATOM 417 C THR A 27 8.707 28.661 25.067 1.00 0.00 C ATOM 418 O THR A 27 9.050 29.821 24.840 1.00 0.00 O ATOM 419 CB THR A 27 7.963 28.289 22.708 1.00 0.00 C ATOM 420 OG1 THR A 27 7.817 27.332 21.671 1.00 0.00 O ATOM 421 CG2 THR A 27 8.815 29.455 22.227 1.00 0.00 C ATOM 0 H THR A 27 6.799 26.700 24.491 1.00 0.00 H new ATOM 0 HA THR A 27 9.593 27.289 23.686 1.00 0.00 H new ATOM 0 HB THR A 27 6.979 28.669 22.982 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.411 27.758 20.887 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.351 29.907 21.350 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.894 30.199 23.020 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.810 29.095 21.966 1.00 0.00 H new ATOM 429 N MET A 28 8.427 28.225 26.289 1.00 0.00 N ATOM 430 CA MET A 28 8.505 29.100 27.453 1.00 0.00 C ATOM 431 C MET A 28 7.559 30.284 27.298 1.00 0.00 C ATOM 432 O MET A 28 7.739 31.123 26.416 1.00 0.00 O ATOM 433 CB MET A 28 9.932 29.604 27.626 1.00 0.00 C ATOM 434 CG MET A 28 10.902 28.450 27.866 1.00 0.00 C ATOM 435 SD MET A 28 12.623 28.962 27.738 1.00 0.00 S ATOM 436 CE MET A 28 13.121 28.921 29.467 1.00 0.00 C ATOM 0 H MET A 28 8.143 27.268 26.500 1.00 0.00 H new ATOM 0 HA MET A 28 8.211 28.530 28.335 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.235 30.158 26.737 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.975 30.299 28.465 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.724 28.029 28.855 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.707 27.658 27.143 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.070 29.444 29.585 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.360 29.409 30.076 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.234 27.886 29.789 1.00 0.00 H new ATOM 446 N ALA A 29 6.553 30.347 28.162 1.00 0.00 N ATOM 447 CA ALA A 29 5.576 31.431 28.124 1.00 0.00 C ATOM 448 C ALA A 29 5.324 31.965 29.528 1.00 0.00 C ATOM 449 O ALA A 29 5.533 33.146 29.802 1.00 0.00 O ATOM 450 CB ALA A 29 4.271 30.928 27.520 1.00 0.00 C ATOM 0 H ALA A 29 6.391 29.660 28.899 1.00 0.00 H new ATOM 0 HA ALA A 29 5.971 32.239 27.507 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.545 31.741 27.494 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.453 30.571 26.506 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.880 30.112 28.127 1.00 0.00 H new ATOM 456 N GLU A 30 4.875 31.083 30.413 1.00 0.00 N ATOM 457 CA GLU A 30 4.591 31.454 31.794 1.00 0.00 C ATOM 458 C GLU A 30 4.677 30.226 32.689 1.00 0.00 C ATOM 459 O GLU A 30 4.471 29.102 32.233 1.00 0.00 O ATOM 460 CB GLU A 30 3.200 32.075 31.892 1.00 0.00 C ATOM 461 CG GLU A 30 3.196 33.506 31.363 1.00 0.00 C ATOM 462 CD GLU A 30 1.932 34.229 31.809 1.00 0.00 C ATOM 463 OE1 GLU A 30 1.791 34.489 33.023 1.00 0.00 O ATOM 464 OE2 GLU A 30 1.085 34.536 30.944 1.00 0.00 O ATOM 0 H GLU A 30 4.699 30.102 30.197 1.00 0.00 H new ATOM 0 HA GLU A 30 5.329 32.186 32.124 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.489 31.473 31.325 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.868 32.067 32.930 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.075 34.038 31.726 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.255 33.499 30.275 1.00 0.00 H new ATOM 471 N VAL A 31 4.987 30.441 33.963 1.00 0.00 N ATOM 472 CA VAL A 31 5.103 29.336 34.910 1.00 0.00 C ATOM 473 C VAL A 31 5.281 29.862 36.330 1.00 0.00 C ATOM 474 O VAL A 31 5.873 30.918 36.553 1.00 0.00 O ATOM 475 CB VAL A 31 6.270 28.409 34.501 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.438 29.214 33.939 1.00 0.00 C ATOM 477 CG2 VAL A 31 6.748 27.531 35.664 1.00 0.00 C ATOM 0 H VAL A 31 5.162 31.363 34.362 1.00 0.00 H new ATOM 0 HA VAL A 31 4.182 28.753 34.889 1.00 0.00 H new ATOM 0 HB VAL A 31 5.887 27.749 33.723 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.245 28.537 33.659 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.108 29.768 33.060 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.796 29.912 34.695 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.569 26.897 35.328 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.091 28.165 36.482 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.925 26.906 36.010 1.00 0.00 H new ATOM 487 N GLU A 32 4.756 29.100 37.282 1.00 0.00 N ATOM 488 CA GLU A 32 4.835 29.449 38.689 1.00 0.00 C ATOM 489 C GLU A 32 5.051 28.191 39.518 1.00 0.00 C ATOM 490 O GLU A 32 5.119 27.088 38.977 1.00 0.00 O ATOM 491 CB GLU A 32 3.550 30.147 39.111 1.00 0.00 C ATOM 492 CG GLU A 32 2.342 29.234 38.932 1.00 0.00 C ATOM 493 CD GLU A 32 1.151 30.032 38.419 1.00 0.00 C ATOM 494 OE1 GLU A 32 0.382 30.556 39.253 1.00 0.00 O ATOM 495 OE2 GLU A 32 0.989 30.134 37.185 1.00 0.00 O ATOM 0 H GLU A 32 4.265 28.225 37.098 1.00 0.00 H new ATOM 0 HA GLU A 32 5.675 30.124 38.852 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.626 30.454 40.154 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.415 31.053 38.521 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.582 28.434 38.231 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.090 28.761 39.881 1.00 0.00 H new ATOM 502 N LEU A 33 5.167 28.356 40.830 1.00 0.00 N ATOM 503 CA LEU A 33 5.386 27.221 41.720 1.00 0.00 C ATOM 504 C LEU A 33 4.296 27.140 42.781 1.00 0.00 C ATOM 505 O LEU A 33 3.417 27.998 42.857 1.00 0.00 O ATOM 506 CB LEU A 33 6.750 27.348 42.387 1.00 0.00 C ATOM 507 CG LEU A 33 7.760 26.397 41.760 1.00 0.00 C ATOM 508 CD1 LEU A 33 9.156 26.643 42.326 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.340 24.947 41.981 1.00 0.00 C ATOM 0 H LEU A 33 5.114 29.260 41.300 1.00 0.00 H new ATOM 0 HA LEU A 33 5.353 26.307 41.127 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.108 28.374 42.297 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.658 27.135 43.452 1.00 0.00 H new ATOM 0 HG LEU A 33 7.788 26.587 40.687 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.862 25.953 41.865 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.459 27.668 42.114 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.145 26.484 43.404 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.074 24.282 41.526 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.281 24.744 43.050 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.365 24.777 41.525 1.00 0.00 H new ATOM 521 N ARG A 34 4.369 26.097 43.602 1.00 0.00 N ATOM 522 CA ARG A 34 3.402 25.881 44.673 1.00 0.00 C ATOM 523 C ARG A 34 4.099 25.256 45.875 1.00 0.00 C ATOM 524 O ARG A 34 5.318 25.088 45.874 1.00 0.00 O ATOM 525 CB ARG A 34 2.279 24.970 44.188 1.00 0.00 C ATOM 526 CG ARG A 34 0.913 25.487 44.630 1.00 0.00 C ATOM 527 CD ARG A 34 -0.215 24.726 43.940 1.00 0.00 C ATOM 528 NE ARG A 34 -0.575 23.542 44.714 1.00 0.00 N ATOM 529 CZ ARG A 34 -1.666 22.836 44.442 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.865 23.384 44.582 1.00 0.00 N ATOM 531 NH2 ARG A 34 -1.560 21.581 44.028 1.00 0.00 N ATOM 0 H ARG A 34 5.095 25.382 43.545 1.00 0.00 H new ATOM 0 HA ARG A 34 2.974 26.839 44.966 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.309 24.900 43.101 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.432 23.963 44.576 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.815 25.386 45.711 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.832 26.550 44.401 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.084 25.374 43.828 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.095 24.433 42.937 1.00 0.00 H new ATOM 0 HE ARG A 34 0.027 23.249 45.484 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.951 24.350 44.899 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.702 22.840 44.373 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.639 21.156 43.918 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.399 21.040 43.820 1.00 0.00 H new ATOM 545 N GLU A 35 3.326 24.913 46.901 1.00 0.00 N ATOM 546 CA GLU A 35 3.888 24.308 48.104 1.00 0.00 C ATOM 547 C GLU A 35 2.866 23.405 48.784 1.00 0.00 C ATOM 548 O GLU A 35 2.888 23.237 50.003 1.00 0.00 O ATOM 549 CB GLU A 35 4.347 25.397 49.067 1.00 0.00 C ATOM 550 CG GLU A 35 5.835 25.692 48.895 1.00 0.00 C ATOM 551 CD GLU A 35 6.669 24.680 49.671 1.00 0.00 C ATOM 552 OE1 GLU A 35 6.077 23.812 50.347 1.00 0.00 O ATOM 553 OE2 GLU A 35 7.913 24.757 49.602 1.00 0.00 O ATOM 0 H GLU A 35 2.315 25.043 46.924 1.00 0.00 H new ATOM 0 HA GLU A 35 4.745 23.699 47.816 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.771 26.306 48.894 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.151 25.086 50.093 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.100 25.657 47.838 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.056 26.700 49.246 1.00 0.00 H new ATOM 560 N HIS A 36 1.976 22.821 47.989 1.00 0.00 N ATOM 561 CA HIS A 36 0.949 21.926 48.514 1.00 0.00 C ATOM 562 C HIS A 36 0.115 22.633 49.576 1.00 0.00 C ATOM 563 O HIS A 36 0.504 23.680 50.092 1.00 0.00 O ATOM 564 CB HIS A 36 1.602 20.684 49.112 1.00 0.00 C ATOM 565 CG HIS A 36 0.996 19.410 48.612 1.00 0.00 C ATOM 566 ND1 HIS A 36 1.439 18.754 47.493 1.00 0.00 N ATOM 567 CD2 HIS A 36 -0.030 18.652 49.078 1.00 0.00 C ATOM 568 CE1 HIS A 36 0.738 17.665 47.276 1.00 0.00 C ATOM 569 NE2 HIS A 36 -0.174 17.569 48.230 1.00 0.00 N ATOM 0 H HIS A 36 1.944 22.951 46.978 1.00 0.00 H new ATOM 0 HA HIS A 36 0.293 21.631 47.695 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.666 20.691 48.878 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.514 20.721 50.198 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.627 18.858 49.954 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.881 16.970 46.462 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.865 16.824 48.324 1.00 0.00 H new ATOM 577 N GLY A 37 -1.035 22.050 49.899 1.00 0.00 N ATOM 578 CA GLY A 37 -1.929 22.618 50.903 1.00 0.00 C ATOM 579 C GLY A 37 -2.225 24.081 50.601 1.00 0.00 C ATOM 580 O GLY A 37 -2.550 24.856 51.501 1.00 0.00 O ATOM 0 H GLY A 37 -1.371 21.183 49.479 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.860 22.052 50.928 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.476 22.531 51.890 1.00 0.00 H new ATOM 584 N SER A 38 -2.111 24.455 49.331 1.00 0.00 N ATOM 585 CA SER A 38 -2.367 25.829 48.910 1.00 0.00 C ATOM 586 C SER A 38 -3.201 25.846 47.636 1.00 0.00 C ATOM 587 O SER A 38 -2.721 25.482 46.562 1.00 0.00 O ATOM 588 CB SER A 38 -1.047 26.559 48.681 1.00 0.00 C ATOM 589 OG SER A 38 -1.151 27.914 49.090 1.00 0.00 O ATOM 0 H SER A 38 -1.843 23.826 48.574 1.00 0.00 H new ATOM 0 HA SER A 38 -2.923 26.338 49.697 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.250 26.065 49.237 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.776 26.511 47.626 1.00 0.00 H new ATOM 0 HG SER A 38 -0.296 28.368 48.938 1.00 0.00 H new ATOM 595 N ASP A 39 -4.454 26.271 47.763 1.00 0.00 N ATOM 596 CA ASP A 39 -5.364 26.337 46.623 1.00 0.00 C ATOM 597 C ASP A 39 -4.833 27.299 45.566 1.00 0.00 C ATOM 598 O ASP A 39 -5.197 27.206 44.394 1.00 0.00 O ATOM 599 CB ASP A 39 -6.745 26.789 47.088 1.00 0.00 C ATOM 600 CG ASP A 39 -7.811 26.325 46.103 1.00 0.00 C ATOM 601 OD1 ASP A 39 -8.025 25.099 45.993 1.00 0.00 O ATOM 602 OD2 ASP A 39 -8.430 27.187 45.445 1.00 0.00 O ATOM 0 H ASP A 39 -4.864 26.576 48.646 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.439 25.343 46.181 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.954 26.384 48.078 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.769 27.875 47.176 1.00 0.00 H new ATOM 607 N GLU A 40 -3.975 28.225 45.983 1.00 0.00 N ATOM 608 CA GLU A 40 -3.401 29.203 45.065 1.00 0.00 C ATOM 609 C GLU A 40 -1.993 28.792 44.658 1.00 0.00 C ATOM 610 O GLU A 40 -1.461 27.793 45.142 1.00 0.00 O ATOM 611 CB GLU A 40 -3.370 30.580 45.723 1.00 0.00 C ATOM 612 CG GLU A 40 -4.008 31.636 44.825 1.00 0.00 C ATOM 613 CD GLU A 40 -3.341 32.988 45.044 1.00 0.00 C ATOM 614 OE1 GLU A 40 -2.295 33.244 44.413 1.00 0.00 O ATOM 615 OE2 GLU A 40 -3.866 33.788 45.847 1.00 0.00 O ATOM 0 H GLU A 40 -3.662 28.319 46.949 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.023 29.246 44.171 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.898 30.542 46.676 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.339 30.859 45.940 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.913 31.341 43.780 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.074 31.710 45.039 1.00 0.00 H new ATOM 622 N TRP A 41 -1.395 29.572 43.765 1.00 0.00 N ATOM 623 CA TRP A 41 -0.045 29.298 43.285 1.00 0.00 C ATOM 624 C TRP A 41 0.854 30.502 43.537 1.00 0.00 C ATOM 625 O TRP A 41 0.375 31.626 43.681 1.00 0.00 O ATOM 626 CB TRP A 41 -0.079 28.976 41.795 1.00 0.00 C ATOM 627 CG TRP A 41 -0.759 27.674 41.500 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.104 27.427 41.523 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.123 26.432 41.135 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.316 26.116 41.196 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.136 25.482 40.954 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.201 26.034 40.945 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.862 24.172 40.596 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.484 24.724 40.586 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.461 23.800 40.413 1.00 0.00 C ATOM 0 H TRP A 41 -1.825 30.402 43.357 1.00 0.00 H new ATOM 0 HA TRP A 41 0.355 28.440 43.825 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.594 29.778 41.266 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.941 28.944 41.411 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.872 28.148 41.760 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.233 25.674 41.141 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.004 26.744 41.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.660 23.457 40.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.510 24.420 40.440 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.698 22.784 40.134 1.00 0.00 H new ATOM 646 N VAL A 42 2.160 30.262 43.592 1.00 0.00 N ATOM 647 CA VAL A 42 3.123 31.331 43.829 1.00 0.00 C ATOM 648 C VAL A 42 3.888 31.654 42.550 1.00 0.00 C ATOM 649 O VAL A 42 4.755 30.893 42.122 1.00 0.00 O ATOM 650 CB VAL A 42 4.089 30.925 44.940 1.00 0.00 C ATOM 651 CG1 VAL A 42 3.406 31.029 46.301 1.00 0.00 C ATOM 652 CG2 VAL A 42 4.610 29.508 44.714 1.00 0.00 C ATOM 0 H VAL A 42 2.575 29.338 43.476 1.00 0.00 H new ATOM 0 HA VAL A 42 2.584 32.226 44.140 1.00 0.00 H new ATOM 0 HB VAL A 42 4.938 31.608 44.921 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.107 30.737 47.083 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.083 32.057 46.469 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.539 30.368 46.325 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.296 29.240 45.517 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.773 28.810 44.704 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.133 29.461 43.759 1.00 0.00 H new ATOM 662 N ALA A 43 3.553 32.787 41.941 1.00 0.00 N ATOM 663 CA ALA A 43 4.198 33.219 40.705 1.00 0.00 C ATOM 664 C ALA A 43 5.712 33.259 40.871 1.00 0.00 C ATOM 665 O ALA A 43 6.234 33.964 41.734 1.00 0.00 O ATOM 666 CB ALA A 43 3.686 34.601 40.308 1.00 0.00 C ATOM 0 H ALA A 43 2.836 33.425 42.285 1.00 0.00 H new ATOM 0 HA ALA A 43 3.954 32.502 39.921 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.171 34.917 39.385 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.608 34.559 40.155 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.913 35.314 41.100 1.00 0.00 H new ATOM 672 N MET A 44 6.412 32.501 40.033 1.00 0.00 N ATOM 673 CA MET A 44 7.868 32.449 40.077 1.00 0.00 C ATOM 674 C MET A 44 8.451 33.846 39.911 1.00 0.00 C ATOM 675 O MET A 44 7.725 34.839 39.952 1.00 0.00 O ATOM 676 CB MET A 44 8.382 31.535 38.971 1.00 0.00 C ATOM 677 CG MET A 44 8.736 30.158 39.518 1.00 0.00 C ATOM 678 SD MET A 44 10.510 29.930 39.714 1.00 0.00 S ATOM 679 CE MET A 44 10.672 28.180 39.328 1.00 0.00 C ATOM 0 H MET A 44 5.992 31.913 39.313 1.00 0.00 H new ATOM 0 HA MET A 44 8.180 32.054 41.044 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.624 31.437 38.194 1.00 0.00 H new ATOM 0 HB3 MET A 44 9.260 31.981 38.505 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.246 30.016 40.481 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.347 29.393 38.847 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.721 27.890 39.389 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.091 27.595 40.041 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.302 27.994 38.320 1.00 0.00 H new ATOM 689 N THR A 45 9.765 33.918 39.724 1.00 0.00 N ATOM 690 CA THR A 45 10.440 35.200 39.553 1.00 0.00 C ATOM 691 C THR A 45 11.638 35.058 38.623 1.00 0.00 C ATOM 692 O THR A 45 12.679 34.531 39.013 1.00 0.00 O ATOM 693 CB THR A 45 10.897 35.733 40.907 1.00 0.00 C ATOM 694 OG1 THR A 45 9.796 35.801 41.800 1.00 0.00 O ATOM 695 CG2 THR A 45 11.535 37.110 40.757 1.00 0.00 C ATOM 0 H THR A 45 10.382 33.107 39.687 1.00 0.00 H new ATOM 0 HA THR A 45 9.736 35.903 39.108 1.00 0.00 H new ATOM 0 HB THR A 45 11.643 35.050 41.312 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.099 36.143 42.667 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.854 37.472 41.735 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.399 37.041 40.096 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.809 37.803 40.333 1.00 0.00 H new ATOM 703 N LYS A 46 11.488 35.542 37.394 1.00 0.00 N ATOM 704 CA LYS A 46 12.564 35.478 36.410 1.00 0.00 C ATOM 705 C LYS A 46 13.757 36.289 36.898 1.00 0.00 C ATOM 706 O LYS A 46 13.926 37.449 36.524 1.00 0.00 O ATOM 707 CB LYS A 46 12.078 36.021 35.069 1.00 0.00 C ATOM 708 CG LYS A 46 11.592 37.461 35.198 1.00 0.00 C ATOM 709 CD LYS A 46 10.543 37.790 34.138 1.00 0.00 C ATOM 710 CE LYS A 46 11.175 37.932 32.757 1.00 0.00 C ATOM 711 NZ LYS A 46 10.187 38.433 31.759 1.00 0.00 N ATOM 0 H LYS A 46 10.633 35.983 37.056 1.00 0.00 H new ATOM 0 HA LYS A 46 12.867 34.439 36.281 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.887 35.972 34.340 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.270 35.394 34.692 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.170 37.617 36.191 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.437 38.142 35.100 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.787 37.005 34.115 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.033 38.716 34.404 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.021 38.617 32.810 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.566 36.968 32.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.646 38.519 30.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.392 37.766 31.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.833 39.364 32.058 1.00 0.00 H new ATOM 725 N GLY A 47 14.577 35.676 37.745 1.00 0.00 N ATOM 726 CA GLY A 47 15.750 36.350 38.295 1.00 0.00 C ATOM 727 C GLY A 47 17.034 35.769 37.721 1.00 0.00 C ATOM 728 O GLY A 47 18.063 36.442 37.672 1.00 0.00 O ATOM 0 H GLY A 47 14.452 34.716 38.066 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.698 37.416 38.073 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.755 36.250 39.380 1.00 0.00 H new ATOM 732 N GLU A 48 16.971 34.515 37.291 1.00 0.00 N ATOM 733 CA GLU A 48 18.134 33.842 36.724 1.00 0.00 C ATOM 734 C GLU A 48 18.370 34.303 35.291 1.00 0.00 C ATOM 735 O GLU A 48 19.510 34.511 34.876 1.00 0.00 O ATOM 736 CB GLU A 48 17.926 32.330 36.758 1.00 0.00 C ATOM 737 CG GLU A 48 19.085 31.598 36.085 1.00 0.00 C ATOM 738 CD GLU A 48 19.803 30.708 37.090 1.00 0.00 C ATOM 739 OE1 GLU A 48 19.118 30.077 37.923 1.00 0.00 O ATOM 740 OE2 GLU A 48 21.049 30.642 37.044 1.00 0.00 O ATOM 0 H GLU A 48 16.127 33.943 37.324 1.00 0.00 H new ATOM 0 HA GLU A 48 19.010 34.097 37.320 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.833 31.996 37.791 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.992 32.077 36.256 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.712 30.995 35.257 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.784 32.320 35.664 1.00 0.00 H new ATOM 747 N GLY A 49 17.288 34.449 34.535 1.00 0.00 N ATOM 748 CA GLY A 49 17.379 34.874 33.143 1.00 0.00 C ATOM 749 C GLY A 49 17.280 33.669 32.219 1.00 0.00 C ATOM 750 O GLY A 49 16.569 33.698 31.215 1.00 0.00 O ATOM 0 H GLY A 49 16.337 34.279 34.863 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.580 35.581 32.918 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.322 35.394 32.975 1.00 0.00 H new ATOM 754 N GLY A 50 17.993 32.605 32.574 1.00 0.00 N ATOM 755 CA GLY A 50 17.985 31.377 31.788 1.00 0.00 C ATOM 756 C GLY A 50 16.919 30.425 32.311 1.00 0.00 C ATOM 757 O GLY A 50 16.352 29.634 31.556 1.00 0.00 O ATOM 0 H GLY A 50 18.585 32.569 33.404 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.794 31.609 30.740 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.964 30.900 31.835 1.00 0.00 H new ATOM 761 N VAL A 51 16.645 30.514 33.609 1.00 0.00 N ATOM 762 CA VAL A 51 15.640 29.668 34.243 1.00 0.00 C ATOM 763 C VAL A 51 14.843 30.469 35.262 1.00 0.00 C ATOM 764 O VAL A 51 15.033 31.677 35.405 1.00 0.00 O ATOM 765 CB VAL A 51 16.303 28.472 34.919 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.695 27.424 33.882 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.523 28.912 35.723 1.00 0.00 C ATOM 0 H VAL A 51 17.107 31.166 34.244 1.00 0.00 H new ATOM 0 HA VAL A 51 14.960 29.302 33.474 1.00 0.00 H new ATOM 0 HB VAL A 51 15.585 28.027 35.607 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.167 26.577 34.381 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.804 27.084 33.354 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.395 27.861 33.169 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.980 28.043 36.196 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.246 29.385 35.058 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.216 29.623 36.490 1.00 0.00 H new ATOM 777 N TRP A 52 13.937 29.792 35.957 1.00 0.00 N ATOM 778 CA TRP A 52 13.092 30.440 36.954 1.00 0.00 C ATOM 779 C TRP A 52 13.533 30.066 38.364 1.00 0.00 C ATOM 780 O TRP A 52 13.786 28.898 38.659 1.00 0.00 O ATOM 781 CB TRP A 52 11.645 30.018 36.724 1.00 0.00 C ATOM 782 CG TRP A 52 11.278 30.046 35.273 1.00 0.00 C ATOM 783 CD1 TRP A 52 10.639 29.065 34.572 1.00 0.00 C ATOM 784 CD2 TRP A 52 11.549 31.107 34.335 1.00 0.00 C ATOM 785 NE1 TRP A 52 10.492 29.475 33.275 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.035 30.710 33.095 1.00 0.00 C ATOM 787 CE3 TRP A 52 12.172 32.354 34.427 1.00 0.00 C ATOM 788 CZ2 TRP A 52 11.126 31.513 31.970 1.00 0.00 C ATOM 789 CZ3 TRP A 52 12.267 33.162 33.303 1.00 0.00 C ATOM 790 CH2 TRP A 52 11.747 32.743 32.085 1.00 0.00 C ATOM 0 H TRP A 52 13.768 28.792 35.848 1.00 0.00 H new ATOM 0 HA TRP A 52 13.182 31.522 36.852 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.493 29.013 37.117 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.981 30.681 37.279 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.304 28.120 34.975 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.037 28.929 32.543 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.578 32.688 35.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.721 31.186 31.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.750 34.125 33.376 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.829 33.384 31.220 1.00 0.00 H new ATOM 801 N THR A 53 13.620 31.069 39.234 1.00 0.00 N ATOM 802 CA THR A 53 14.029 30.856 40.619 1.00 0.00 C ATOM 803 C THR A 53 12.897 31.235 41.567 1.00 0.00 C ATOM 804 O THR A 53 12.137 32.165 41.300 1.00 0.00 O ATOM 805 CB THR A 53 15.268 31.691 40.932 1.00 0.00 C ATOM 806 OG1 THR A 53 15.141 32.981 40.354 1.00 0.00 O ATOM 807 CG2 THR A 53 16.529 31.007 40.413 1.00 0.00 C ATOM 0 H THR A 53 13.412 32.040 39.003 1.00 0.00 H new ATOM 0 HA THR A 53 14.266 29.801 40.756 1.00 0.00 H new ATOM 0 HB THR A 53 15.353 31.789 42.014 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.939 33.512 40.560 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.399 31.621 40.648 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.635 30.031 40.887 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.456 30.880 39.333 1.00 0.00 H new ATOM 815 N PHE A 54 12.791 30.510 42.677 1.00 0.00 N ATOM 816 CA PHE A 54 11.751 30.772 43.668 1.00 0.00 C ATOM 817 C PHE A 54 12.355 30.835 45.065 1.00 0.00 C ATOM 818 O PHE A 54 13.227 30.037 45.411 1.00 0.00 O ATOM 819 CB PHE A 54 10.688 29.678 43.610 1.00 0.00 C ATOM 820 CG PHE A 54 9.569 29.894 44.598 1.00 0.00 C ATOM 821 CD1 PHE A 54 8.634 30.893 44.379 1.00 0.00 C ATOM 822 CD2 PHE A 54 9.476 29.095 45.725 1.00 0.00 C ATOM 823 CE1 PHE A 54 7.606 31.091 45.287 1.00 0.00 C ATOM 824 CE2 PHE A 54 8.449 29.293 46.633 1.00 0.00 C ATOM 825 CZ PHE A 54 7.514 30.291 46.414 1.00 0.00 C ATOM 0 H PHE A 54 13.412 29.736 42.913 1.00 0.00 H new ATOM 0 HA PHE A 54 11.288 31.733 43.443 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.273 29.634 42.603 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.156 28.713 43.804 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.706 31.517 43.501 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.205 28.317 45.896 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.877 31.869 45.116 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.377 28.669 47.512 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.713 30.445 47.122 1.00 0.00 H new ATOM 835 N ASP A 55 11.888 31.788 45.865 1.00 0.00 N ATOM 836 CA ASP A 55 12.383 31.956 47.228 1.00 0.00 C ATOM 837 C ASP A 55 11.237 31.862 48.228 1.00 0.00 C ATOM 838 O ASP A 55 10.181 32.465 48.035 1.00 0.00 O ATOM 839 CB ASP A 55 13.083 33.305 47.365 1.00 0.00 C ATOM 840 CG ASP A 55 12.106 34.439 47.085 1.00 0.00 C ATOM 841 OD1 ASP A 55 11.305 34.770 47.984 1.00 0.00 O ATOM 842 OD2 ASP A 55 12.143 34.994 45.967 1.00 0.00 O ATOM 0 H ASP A 55 11.167 32.456 45.593 1.00 0.00 H new ATOM 0 HA ASP A 55 13.096 31.159 47.440 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.493 33.409 48.370 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.922 33.359 46.671 1.00 0.00 H new ATOM 847 N SER A 56 11.452 31.101 49.296 1.00 0.00 N ATOM 848 CA SER A 56 10.440 30.923 50.331 1.00 0.00 C ATOM 849 C SER A 56 10.999 30.099 51.484 1.00 0.00 C ATOM 850 O SER A 56 12.144 29.648 51.439 1.00 0.00 O ATOM 851 CB SER A 56 9.217 30.230 49.743 1.00 0.00 C ATOM 852 OG SER A 56 8.027 30.737 50.326 1.00 0.00 O ATOM 0 H SER A 56 12.321 30.596 49.468 1.00 0.00 H new ATOM 0 HA SER A 56 10.150 31.903 50.711 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.192 30.379 48.664 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.283 29.156 49.915 1.00 0.00 H new ATOM 0 HG SER A 56 7.252 30.282 49.935 1.00 0.00 H new ATOM 858 N GLU A 57 10.184 29.902 52.516 1.00 0.00 N ATOM 859 CA GLU A 57 10.597 29.128 53.683 1.00 0.00 C ATOM 860 C GLU A 57 9.380 28.558 54.400 1.00 0.00 C ATOM 861 O GLU A 57 9.416 28.314 55.606 1.00 0.00 O ATOM 862 CB GLU A 57 11.397 30.009 54.637 1.00 0.00 C ATOM 863 CG GLU A 57 12.892 29.917 54.349 1.00 0.00 C ATOM 864 CD GLU A 57 13.690 30.512 55.501 1.00 0.00 C ATOM 865 OE1 GLU A 57 13.257 31.545 56.055 1.00 0.00 O ATOM 866 OE2 GLU A 57 14.748 29.946 55.848 1.00 0.00 O ATOM 0 H GLU A 57 9.233 30.268 52.568 1.00 0.00 H new ATOM 0 HA GLU A 57 11.225 28.302 53.349 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.069 31.044 54.542 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.203 29.706 55.666 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.177 28.876 54.200 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.124 30.446 53.425 1.00 0.00 H new ATOM 873 N GLU A 58 8.302 28.348 53.650 1.00 0.00 N ATOM 874 CA GLU A 58 7.066 27.806 54.212 1.00 0.00 C ATOM 875 C GLU A 58 7.355 26.563 55.047 1.00 0.00 C ATOM 876 O GLU A 58 8.464 26.029 55.020 1.00 0.00 O ATOM 877 CB GLU A 58 6.077 27.461 53.095 1.00 0.00 C ATOM 878 CG GLU A 58 6.773 26.867 51.866 1.00 0.00 C ATOM 879 CD GLU A 58 7.732 25.752 52.270 1.00 0.00 C ATOM 880 OE1 GLU A 58 7.285 24.590 52.372 1.00 0.00 O ATOM 881 OE2 GLU A 58 8.928 26.043 52.483 1.00 0.00 O ATOM 0 H GLU A 58 8.258 28.545 52.650 1.00 0.00 H new ATOM 0 HA GLU A 58 6.624 28.567 54.855 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.340 26.751 53.471 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.534 28.360 52.803 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.027 26.477 51.173 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.320 27.649 51.339 1.00 0.00 H new ATOM 888 N PRO A 59 6.351 26.085 55.801 1.00 0.00 N ATOM 889 CA PRO A 59 6.464 24.911 56.649 1.00 0.00 C ATOM 890 C PRO A 59 6.000 23.641 55.942 1.00 0.00 C ATOM 891 O PRO A 59 5.678 22.643 56.588 1.00 0.00 O ATOM 892 CB PRO A 59 5.544 25.258 57.811 1.00 0.00 C ATOM 893 CG PRO A 59 4.573 26.272 57.298 1.00 0.00 C ATOM 894 CD PRO A 59 5.003 26.637 55.905 1.00 0.00 C ATOM 0 HA PRO A 59 7.491 24.699 56.945 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.024 24.371 58.172 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.113 25.657 58.651 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.561 25.867 57.294 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.562 27.153 57.940 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.337 26.210 55.156 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.000 27.717 55.755 1.00 0.00 H new ATOM 902 N LEU A 60 5.968 23.684 54.614 1.00 0.00 N ATOM 903 CA LEU A 60 5.543 22.537 53.820 1.00 0.00 C ATOM 904 C LEU A 60 6.729 21.938 53.076 1.00 0.00 C ATOM 905 O LEU A 60 6.675 21.732 51.864 1.00 0.00 O ATOM 906 CB LEU A 60 4.466 22.965 52.826 1.00 0.00 C ATOM 907 CG LEU A 60 3.086 22.974 53.478 1.00 0.00 C ATOM 908 CD1 LEU A 60 2.273 24.172 52.995 1.00 0.00 C ATOM 909 CD2 LEU A 60 2.346 21.672 53.185 1.00 0.00 C ATOM 0 H LEU A 60 6.232 24.502 54.065 1.00 0.00 H new ATOM 0 HA LEU A 60 5.133 21.780 54.489 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.696 23.959 52.442 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.464 22.286 51.973 1.00 0.00 H new ATOM 0 HG LEU A 60 3.217 23.060 54.557 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.292 24.162 53.470 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.793 25.094 53.256 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.152 24.117 51.913 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.364 21.697 53.658 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.227 21.556 52.108 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.918 20.832 53.580 1.00 0.00 H new ATOM 921 N GLN A 61 7.802 21.659 53.810 1.00 0.00 N ATOM 922 CA GLN A 61 9.005 21.081 53.220 1.00 0.00 C ATOM 923 C GLN A 61 8.686 19.736 52.581 1.00 0.00 C ATOM 924 O GLN A 61 8.212 18.817 53.249 1.00 0.00 O ATOM 925 CB GLN A 61 10.078 20.905 54.292 1.00 0.00 C ATOM 926 CG GLN A 61 10.950 22.151 54.411 1.00 0.00 C ATOM 927 CD GLN A 61 12.028 22.146 53.335 1.00 0.00 C ATOM 928 OE1 GLN A 61 11.742 22.345 52.155 1.00 0.00 O ATOM 929 NE2 GLN A 61 13.271 21.918 53.744 1.00 0.00 N ATOM 0 H GLN A 61 7.863 21.824 54.815 1.00 0.00 H new ATOM 0 HA GLN A 61 9.376 21.757 52.450 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.606 20.696 55.252 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.701 20.044 54.049 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.334 23.045 54.314 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.412 22.187 55.398 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.461 21.758 54.733 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.035 21.903 53.069 1.00 0.00 H new ATOM 938 N GLY A 62 8.946 19.627 51.283 1.00 0.00 N ATOM 939 CA GLY A 62 8.685 18.392 50.551 1.00 0.00 C ATOM 940 C GLY A 62 8.821 18.615 49.049 1.00 0.00 C ATOM 941 O GLY A 62 9.688 19.365 48.601 1.00 0.00 O ATOM 0 H GLY A 62 9.337 20.379 50.715 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.382 17.619 50.873 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.682 18.033 50.781 1.00 0.00 H new ATOM 945 N PRO A 63 7.960 17.962 48.248 1.00 0.00 N ATOM 946 CA PRO A 63 7.987 18.092 46.785 1.00 0.00 C ATOM 947 C PRO A 63 7.390 19.414 46.319 1.00 0.00 C ATOM 948 O PRO A 63 6.790 20.147 47.105 1.00 0.00 O ATOM 949 CB PRO A 63 7.149 16.920 46.295 1.00 0.00 C ATOM 950 CG PRO A 63 6.227 16.588 47.424 1.00 0.00 C ATOM 951 CD PRO A 63 6.896 17.048 48.699 1.00 0.00 C ATOM 0 HA PRO A 63 9.005 18.082 46.395 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.590 17.185 45.397 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.778 16.068 46.039 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.265 17.084 47.294 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.031 15.516 47.458 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.190 17.555 49.357 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.306 16.207 49.258 1.00 0.00 H new ATOM 959 N PHE A 64 7.556 19.714 45.035 1.00 0.00 N ATOM 960 CA PHE A 64 7.031 20.949 44.464 1.00 0.00 C ATOM 961 C PHE A 64 6.012 20.639 43.377 1.00 0.00 C ATOM 962 O PHE A 64 5.869 19.493 42.953 1.00 0.00 O ATOM 963 CB PHE A 64 8.169 21.783 43.886 1.00 0.00 C ATOM 964 CG PHE A 64 8.973 22.492 44.946 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.503 23.671 45.501 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.184 21.966 45.363 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.243 24.322 46.473 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.924 22.617 46.336 1.00 0.00 C ATOM 969 CZ PHE A 64 10.454 23.796 46.891 1.00 0.00 C ATOM 0 H PHE A 64 8.050 19.119 44.370 1.00 0.00 H new ATOM 0 HA PHE A 64 6.539 21.516 45.254 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.829 21.137 43.308 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.759 22.519 43.195 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.559 24.082 45.175 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.552 21.048 44.929 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.876 25.241 46.906 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.868 22.205 46.662 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.031 24.304 47.649 1.00 0.00 H new ATOM 979 N ASN A 65 5.306 21.671 42.928 1.00 0.00 N ATOM 980 CA ASN A 65 4.297 21.517 41.885 1.00 0.00 C ATOM 981 C ASN A 65 4.332 22.714 40.946 1.00 0.00 C ATOM 982 O ASN A 65 4.396 23.860 41.390 1.00 0.00 O ATOM 983 CB ASN A 65 2.910 21.385 42.510 1.00 0.00 C ATOM 984 CG ASN A 65 2.951 20.437 43.702 1.00 0.00 C ATOM 985 OD1 ASN A 65 2.530 19.285 43.606 1.00 0.00 O ATOM 986 ND2 ASN A 65 3.460 20.924 44.828 1.00 0.00 N ATOM 0 H ASN A 65 5.414 22.626 43.271 1.00 0.00 H new ATOM 0 HA ASN A 65 4.515 20.613 41.316 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.553 22.364 42.829 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.203 21.015 41.767 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.514 20.336 45.660 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.797 21.886 44.861 1.00 0.00 H new ATOM 993 N PHE A 66 4.295 22.445 39.645 1.00 0.00 N ATOM 994 CA PHE A 66 4.327 23.507 38.645 1.00 0.00 C ATOM 995 C PHE A 66 3.064 23.484 37.795 1.00 0.00 C ATOM 996 O PHE A 66 2.188 22.639 37.982 1.00 0.00 O ATOM 997 CB PHE A 66 5.545 23.341 37.741 1.00 0.00 C ATOM 998 CG PHE A 66 6.848 23.690 38.415 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.501 22.747 39.190 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.400 24.951 38.249 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.705 23.062 39.798 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.602 25.266 38.858 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.256 24.322 39.632 1.00 0.00 C ATOM 0 H PHE A 66 4.243 21.502 39.259 1.00 0.00 H new ATOM 0 HA PHE A 66 4.387 24.462 39.167 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.591 22.309 37.392 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.421 23.970 36.859 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.071 21.765 39.321 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.892 25.688 37.644 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.214 22.325 40.402 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.031 26.249 38.730 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.195 24.568 40.106 1.00 0.00 H new ATOM 1013 N ARG A 67 2.986 24.419 36.854 1.00 0.00 N ATOM 1014 CA ARG A 67 1.843 24.523 35.954 1.00 0.00 C ATOM 1015 C ARG A 67 2.091 25.627 34.934 1.00 0.00 C ATOM 1016 O ARG A 67 1.350 26.608 34.872 1.00 0.00 O ATOM 1017 CB ARG A 67 0.576 24.822 36.749 1.00 0.00 C ATOM 1018 CG ARG A 67 0.720 26.113 37.548 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.321 27.145 37.124 1.00 0.00 C ATOM 1020 NE ARG A 67 -0.981 27.710 38.296 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.290 27.939 38.318 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.143 26.933 38.188 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -2.747 29.175 38.472 1.00 0.00 N ATOM 0 H ARG A 67 3.708 25.122 36.694 1.00 0.00 H new ATOM 0 HA ARG A 67 1.714 23.575 35.431 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.272 24.904 36.069 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.364 23.994 37.425 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.612 25.899 38.611 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.720 26.522 37.405 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.157 27.939 36.550 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.060 26.679 36.471 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.423 27.935 39.120 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.795 25.981 38.071 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.147 27.110 38.205 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.093 29.951 38.574 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.752 29.349 38.489 1.00 0.00 H new ATOM 1037 N PHE A 68 3.149 25.466 34.143 1.00 0.00 N ATOM 1038 CA PHE A 68 3.511 26.455 33.132 1.00 0.00 C ATOM 1039 C PHE A 68 2.356 26.714 32.180 1.00 0.00 C ATOM 1040 O PHE A 68 1.285 26.117 32.297 1.00 0.00 O ATOM 1041 CB PHE A 68 4.728 25.986 32.340 1.00 0.00 C ATOM 1042 CG PHE A 68 4.567 24.595 31.779 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.617 24.344 30.802 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.370 23.565 32.242 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.470 23.065 30.289 1.00 0.00 C ATOM 1046 CE2 PHE A 68 5.223 22.287 31.730 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.273 22.037 30.753 1.00 0.00 C ATOM 0 H PHE A 68 3.771 24.659 34.183 1.00 0.00 H new ATOM 0 HA PHE A 68 3.751 27.384 33.649 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.912 26.682 31.522 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.606 26.012 32.985 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.991 25.146 30.440 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.111 23.759 33.003 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.729 22.870 29.528 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.849 21.485 32.092 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.159 21.040 30.353 1.00 0.00 H new ATOM 1057 N LEU A 69 2.594 27.611 31.233 1.00 0.00 N ATOM 1058 CA LEU A 69 1.595 27.974 30.233 1.00 0.00 C ATOM 1059 C LEU A 69 2.283 28.179 28.890 1.00 0.00 C ATOM 1060 O LEU A 69 2.348 29.298 28.386 1.00 0.00 O ATOM 1061 CB LEU A 69 0.872 29.259 30.646 1.00 0.00 C ATOM 1062 CG LEU A 69 0.671 29.339 32.159 1.00 0.00 C ATOM 1063 CD1 LEU A 69 0.208 30.735 32.566 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -0.332 28.287 32.624 1.00 0.00 C ATOM 0 H LEU A 69 3.480 28.106 31.135 1.00 0.00 H new ATOM 0 HA LEU A 69 0.861 27.172 30.152 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.446 30.123 30.310 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.096 29.307 30.148 1.00 0.00 H new ATOM 0 HG LEU A 69 1.628 29.139 32.642 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.070 30.772 33.647 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.959 31.468 32.270 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.736 30.964 32.072 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.462 28.360 33.704 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.290 28.455 32.131 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.038 27.294 32.369 1.00 0.00 H new ATOM 1076 N THR A 70 2.811 27.085 28.331 1.00 0.00 N ATOM 1077 CA THR A 70 3.530 27.106 27.048 1.00 0.00 C ATOM 1078 C THR A 70 2.971 28.153 26.088 1.00 0.00 C ATOM 1079 O THR A 70 1.760 28.356 26.004 1.00 0.00 O ATOM 1080 CB THR A 70 3.462 25.728 26.398 1.00 0.00 C ATOM 1081 OG1 THR A 70 2.109 25.361 26.184 1.00 0.00 O ATOM 1082 CG2 THR A 70 4.157 24.685 27.268 1.00 0.00 C ATOM 0 H THR A 70 2.753 26.159 28.754 1.00 0.00 H new ATOM 0 HA THR A 70 4.566 27.373 27.258 1.00 0.00 H new ATOM 0 HB THR A 70 3.977 25.772 25.438 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.650 25.286 27.047 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.096 23.710 26.785 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.203 24.960 27.400 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.668 24.639 28.241 1.00 0.00 H new ATOM 1090 N GLU A 71 3.872 28.816 25.369 1.00 0.00 N ATOM 1091 CA GLU A 71 3.491 29.849 24.412 1.00 0.00 C ATOM 1092 C GLU A 71 2.451 29.316 23.435 1.00 0.00 C ATOM 1093 O GLU A 71 1.354 29.864 23.321 1.00 0.00 O ATOM 1094 CB GLU A 71 4.724 30.328 23.649 1.00 0.00 C ATOM 1095 CG GLU A 71 5.801 30.844 24.600 1.00 0.00 C ATOM 1096 CD GLU A 71 5.631 32.341 24.826 1.00 0.00 C ATOM 1097 OE1 GLU A 71 4.474 32.800 24.929 1.00 0.00 O ATOM 1098 OE2 GLU A 71 6.655 33.053 24.897 1.00 0.00 O ATOM 0 H GLU A 71 4.877 28.655 25.432 1.00 0.00 H new ATOM 0 HA GLU A 71 3.057 30.687 24.958 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.125 29.509 23.052 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.440 31.119 22.955 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.739 30.316 25.552 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.789 30.641 24.186 1.00 0.00 H new ATOM 1105 N LYS A 72 2.800 28.245 22.728 1.00 0.00 N ATOM 1106 CA LYS A 72 1.895 27.639 21.758 1.00 0.00 C ATOM 1107 C LYS A 72 1.738 26.149 22.033 1.00 0.00 C ATOM 1108 O LYS A 72 2.388 25.318 21.399 1.00 0.00 O ATOM 1109 CB LYS A 72 2.425 27.852 20.343 1.00 0.00 C ATOM 1110 CG LYS A 72 1.302 27.769 19.314 1.00 0.00 C ATOM 1111 CD LYS A 72 1.286 26.410 18.620 1.00 0.00 C ATOM 1112 CE LYS A 72 0.546 26.479 17.286 1.00 0.00 C ATOM 1113 NZ LYS A 72 1.492 26.679 16.152 1.00 0.00 N ATOM 0 H LYS A 72 3.704 27.779 22.809 1.00 0.00 H new ATOM 0 HA LYS A 72 0.919 28.116 21.850 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.911 28.825 20.277 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.183 27.101 20.119 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.344 27.941 19.804 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.427 28.557 18.572 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.309 26.071 18.454 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.808 25.674 19.267 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.019 25.560 17.133 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.175 27.296 17.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.960 26.722 15.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.013 27.569 16.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.164 25.886 16.117 1.00 0.00 H new ATOM 1127 N GLY A 73 0.870 25.818 22.983 1.00 0.00 N ATOM 1128 CA GLY A 73 0.623 24.426 23.344 1.00 0.00 C ATOM 1129 C GLY A 73 -0.488 24.327 24.381 1.00 0.00 C ATOM 1130 O GLY A 73 -1.671 24.313 24.040 1.00 0.00 O ATOM 0 H GLY A 73 0.325 26.495 23.517 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.349 23.858 22.455 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.536 23.980 23.738 1.00 0.00 H new ATOM 1134 N MET A 74 -0.100 24.260 25.650 1.00 0.00 N ATOM 1135 CA MET A 74 -1.061 24.163 26.744 1.00 0.00 C ATOM 1136 C MET A 74 -0.334 24.098 28.081 1.00 0.00 C ATOM 1137 O MET A 74 0.894 24.175 28.137 1.00 0.00 O ATOM 1138 CB MET A 74 -1.932 22.923 26.565 1.00 0.00 C ATOM 1139 CG MET A 74 -1.099 21.646 26.646 1.00 0.00 C ATOM 1140 SD MET A 74 -1.926 20.239 25.888 1.00 0.00 S ATOM 1141 CE MET A 74 -3.167 19.861 27.136 1.00 0.00 C ATOM 0 H MET A 74 0.876 24.271 25.947 1.00 0.00 H new ATOM 0 HA MET A 74 -1.696 25.049 26.732 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.705 22.905 27.333 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.440 22.968 25.602 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.140 21.809 26.154 1.00 0.00 H new ATOM 0 HG3 MET A 74 -0.887 21.420 27.691 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.762 19.008 26.810 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.674 19.621 28.078 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.817 20.725 27.276 1.00 0.00 H new ATOM 1151 N LYS A 75 -1.099 23.956 29.158 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.531 23.878 30.500 1.00 0.00 C ATOM 1153 C LYS A 75 -0.789 22.503 31.103 1.00 0.00 C ATOM 1154 O LYS A 75 -1.401 21.644 30.469 1.00 0.00 O ATOM 1155 CB LYS A 75 -1.138 24.962 31.387 1.00 0.00 C ATOM 1156 CG LYS A 75 -2.640 24.760 31.564 1.00 0.00 C ATOM 1157 CD LYS A 75 -3.427 25.449 30.452 1.00 0.00 C ATOM 1158 CE LYS A 75 -4.693 26.106 30.997 1.00 0.00 C ATOM 1159 NZ LYS A 75 -5.853 25.886 30.087 1.00 0.00 N ATOM 0 H LYS A 75 -2.117 23.892 29.128 1.00 0.00 H new ATOM 0 HA LYS A 75 0.546 24.035 30.435 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.651 24.952 32.362 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.950 25.942 30.947 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.868 23.694 31.567 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.951 25.155 32.531 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.801 26.202 29.973 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.693 24.721 29.686 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.920 25.701 31.983 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.525 27.176 31.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.698 26.344 30.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.644 26.295 29.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.027 24.866 29.987 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.317 22.298 32.329 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.500 21.020 33.012 1.00 0.00 C ATOM 1175 C ASN A 76 0.180 21.038 34.376 1.00 0.00 C ATOM 1176 O ASN A 76 1.282 21.566 34.525 1.00 0.00 O ATOM 1177 CB ASN A 76 0.076 19.892 32.161 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.998 18.854 31.865 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.949 17.733 32.373 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.972 19.226 31.042 1.00 0.00 N ATOM 0 H ASN A 76 0.193 22.997 32.869 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.567 20.854 33.159 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.469 20.295 31.228 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.911 19.423 32.682 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.719 18.572 30.808 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.973 20.165 30.644 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.483 20.451 35.368 1.00 0.00 N ATOM 1188 CA VAL A 77 0.055 20.390 36.723 1.00 0.00 C ATOM 1189 C VAL A 77 0.896 19.132 36.897 1.00 0.00 C ATOM 1190 O VAL A 77 0.727 18.157 36.165 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.086 20.397 37.738 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.538 20.306 39.160 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.944 21.648 37.574 1.00 0.00 C ATOM 0 H VAL A 77 -1.396 20.010 35.258 1.00 0.00 H new ATOM 0 HA VAL A 77 0.686 21.263 36.891 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.714 19.525 37.554 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.365 20.312 39.870 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.030 19.382 39.273 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.113 21.158 39.354 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.751 21.634 38.306 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.329 22.534 37.729 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.366 21.671 36.569 1.00 0.00 H new ATOM 1203 N PHE A 78 1.803 19.157 37.868 1.00 0.00 N ATOM 1204 CA PHE A 78 2.670 18.013 38.132 1.00 0.00 C ATOM 1205 C PHE A 78 2.971 17.903 39.621 1.00 0.00 C ATOM 1206 O PHE A 78 3.227 18.904 40.289 1.00 0.00 O ATOM 1207 CB PHE A 78 3.970 18.154 37.347 1.00 0.00 C ATOM 1208 CG PHE A 78 3.748 18.220 35.857 1.00 0.00 C ATOM 1209 CD1 PHE A 78 3.372 17.083 35.162 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.918 19.418 35.183 1.00 0.00 C ATOM 1211 CE1 PHE A 78 3.165 17.143 33.794 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.712 19.479 33.815 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.336 18.341 33.121 1.00 0.00 C ATOM 0 H PHE A 78 1.957 19.955 38.484 1.00 0.00 H new ATOM 0 HA PHE A 78 2.156 17.106 37.814 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.490 19.055 37.673 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.621 17.310 37.576 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.240 16.149 35.687 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.211 20.305 35.725 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.870 16.256 33.253 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.844 20.413 33.290 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.176 18.388 32.054 1.00 0.00 H new ATOM 1223 N ASP A 79 2.939 16.677 40.134 1.00 0.00 N ATOM 1224 CA ASP A 79 3.209 16.428 41.545 1.00 0.00 C ATOM 1225 C ASP A 79 4.465 15.579 41.700 1.00 0.00 C ATOM 1226 O ASP A 79 4.884 14.898 40.764 1.00 0.00 O ATOM 1227 CB ASP A 79 2.020 15.718 42.184 1.00 0.00 C ATOM 1228 CG ASP A 79 1.773 14.381 41.498 1.00 0.00 C ATOM 1229 OD1 ASP A 79 2.174 14.230 40.325 1.00 0.00 O ATOM 1230 OD2 ASP A 79 1.177 13.486 42.134 1.00 0.00 O ATOM 0 H ASP A 79 2.728 15.839 39.592 1.00 0.00 H new ATOM 0 HA ASP A 79 3.367 17.383 42.046 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.209 15.560 43.246 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.130 16.343 42.108 1.00 0.00 H new ATOM 1235 N ASP A 80 5.062 15.624 42.886 1.00 0.00 N ATOM 1236 CA ASP A 80 6.273 14.858 43.165 1.00 0.00 C ATOM 1237 C ASP A 80 7.368 15.219 42.170 1.00 0.00 C ATOM 1238 O ASP A 80 8.038 14.341 41.624 1.00 0.00 O ATOM 1239 CB ASP A 80 5.974 13.363 43.089 1.00 0.00 C ATOM 1240 CG ASP A 80 5.116 12.934 44.272 1.00 0.00 C ATOM 1241 OD1 ASP A 80 4.382 13.786 44.815 1.00 0.00 O ATOM 1242 OD2 ASP A 80 5.180 11.747 44.654 1.00 0.00 O ATOM 0 H ASP A 80 4.727 16.183 43.671 1.00 0.00 H new ATOM 0 HA ASP A 80 6.617 15.103 44.170 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.459 13.135 42.156 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.907 12.799 43.084 1.00 0.00 H new ATOM 1247 N VAL A 81 7.548 16.515 41.937 1.00 0.00 N ATOM 1248 CA VAL A 81 8.565 16.992 41.006 1.00 0.00 C ATOM 1249 C VAL A 81 9.866 17.330 41.737 1.00 0.00 C ATOM 1250 O VAL A 81 10.790 17.879 41.138 1.00 0.00 O ATOM 1251 CB VAL A 81 8.048 18.221 40.262 1.00 0.00 C ATOM 1252 CG1 VAL A 81 9.086 18.721 39.262 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.735 17.902 39.552 1.00 0.00 C ATOM 0 H VAL A 81 7.003 17.254 42.380 1.00 0.00 H new ATOM 0 HA VAL A 81 8.776 16.197 40.291 1.00 0.00 H new ATOM 0 HB VAL A 81 7.865 19.011 40.991 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.698 19.597 38.742 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.001 18.988 39.790 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.301 17.935 38.538 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.381 18.789 39.027 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.895 17.096 38.836 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.990 17.593 40.286 1.00 0.00 H new ATOM 1263 N VAL A 82 9.942 16.995 43.027 1.00 0.00 N ATOM 1264 CA VAL A 82 11.137 17.262 43.825 1.00 0.00 C ATOM 1265 C VAL A 82 11.165 16.337 45.043 1.00 0.00 C ATOM 1266 O VAL A 82 10.179 16.235 45.772 1.00 0.00 O ATOM 1267 CB VAL A 82 11.152 18.728 44.271 1.00 0.00 C ATOM 1268 CG1 VAL A 82 12.281 18.992 45.268 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.290 19.650 43.064 1.00 0.00 C ATOM 0 H VAL A 82 9.188 16.538 43.540 1.00 0.00 H new ATOM 0 HA VAL A 82 12.022 17.072 43.218 1.00 0.00 H new ATOM 0 HB VAL A 82 10.205 18.936 44.769 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.266 20.040 45.566 1.00 0.00 H new ATOM 0 HG12 VAL A 82 12.144 18.363 46.148 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.239 18.761 44.802 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.299 20.688 43.398 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.221 19.429 42.542 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.449 19.494 42.389 1.00 0.00 H new ATOM 1279 N PRO A 83 12.299 15.651 45.282 1.00 0.00 N ATOM 1280 CA PRO A 83 12.439 14.736 46.424 1.00 0.00 C ATOM 1281 C PRO A 83 12.609 15.485 47.741 1.00 0.00 C ATOM 1282 O PRO A 83 12.428 16.702 47.801 1.00 0.00 O ATOM 1283 CB PRO A 83 13.688 13.928 46.098 1.00 0.00 C ATOM 1284 CG PRO A 83 14.493 14.791 45.183 1.00 0.00 C ATOM 1285 CD PRO A 83 13.528 15.707 44.469 1.00 0.00 C ATOM 0 HA PRO A 83 11.552 14.117 46.559 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.247 13.687 47.002 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.430 12.983 45.620 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.227 15.368 45.745 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.046 14.182 44.468 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.917 16.723 44.407 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.344 15.373 43.448 1.00 0.00 H new ATOM 1293 N GLU A 84 12.958 14.753 48.794 1.00 0.00 N ATOM 1294 CA GLU A 84 13.153 15.350 50.112 1.00 0.00 C ATOM 1295 C GLU A 84 14.499 16.061 50.175 1.00 0.00 C ATOM 1296 O GLU A 84 14.655 17.053 50.887 1.00 0.00 O ATOM 1297 CB GLU A 84 13.083 14.271 51.190 1.00 0.00 C ATOM 1298 CG GLU A 84 12.477 14.816 52.480 1.00 0.00 C ATOM 1299 CD GLU A 84 12.352 13.704 53.514 1.00 0.00 C ATOM 1300 OE1 GLU A 84 13.242 12.829 53.558 1.00 0.00 O ATOM 1301 OE2 GLU A 84 11.364 13.710 54.278 1.00 0.00 O ATOM 0 H GLU A 84 13.112 13.745 48.761 1.00 0.00 H new ATOM 0 HA GLU A 84 12.362 16.079 50.287 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.486 13.433 50.831 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.084 13.887 51.389 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.101 15.619 52.873 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.496 15.245 52.276 1.00 0.00 H new ATOM 1308 N LYS A 85 15.468 15.549 49.424 1.00 0.00 N ATOM 1309 CA LYS A 85 16.805 16.135 49.390 1.00 0.00 C ATOM 1310 C LYS A 85 17.281 16.285 47.950 1.00 0.00 C ATOM 1311 O LYS A 85 18.149 15.542 47.493 1.00 0.00 O ATOM 1312 CB LYS A 85 17.779 15.255 50.170 1.00 0.00 C ATOM 1313 CG LYS A 85 17.538 15.359 51.673 1.00 0.00 C ATOM 1314 CD LYS A 85 18.489 14.453 52.449 1.00 0.00 C ATOM 1315 CE LYS A 85 18.579 14.869 53.914 1.00 0.00 C ATOM 1316 NZ LYS A 85 18.671 13.682 54.810 1.00 0.00 N ATOM 0 H LYS A 85 15.353 14.728 48.829 1.00 0.00 H new ATOM 0 HA LYS A 85 16.766 17.122 49.851 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.669 14.218 49.853 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.803 15.552 49.942 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.672 16.392 51.995 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.507 15.086 51.898 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.146 13.420 52.382 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.480 14.490 51.997 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.451 15.506 54.060 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.704 15.461 54.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.731 13.998 55.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.827 13.088 54.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.520 13.131 54.570 1.00 0.00 H new ATOM 1330 N TYR A 86 16.704 17.249 47.239 1.00 0.00 N ATOM 1331 CA TYR A 86 17.067 17.498 45.847 1.00 0.00 C ATOM 1332 C TYR A 86 18.573 17.686 45.713 1.00 0.00 C ATOM 1333 O TYR A 86 19.232 18.170 46.634 1.00 0.00 O ATOM 1334 CB TYR A 86 16.342 18.739 45.334 1.00 0.00 C ATOM 1335 CG TYR A 86 16.786 20.004 46.024 1.00 0.00 C ATOM 1336 CD1 TYR A 86 17.865 20.720 45.535 1.00 0.00 C ATOM 1337 CD2 TYR A 86 16.113 20.452 47.148 1.00 0.00 C ATOM 1338 CE1 TYR A 86 18.271 21.883 46.170 1.00 0.00 C ATOM 1339 CE2 TYR A 86 16.520 21.615 47.782 1.00 0.00 C ATOM 1340 CZ TYR A 86 17.597 22.324 47.290 1.00 0.00 C ATOM 1341 OH TYR A 86 18.000 23.479 47.921 1.00 0.00 O ATOM 0 H TYR A 86 15.983 17.871 47.604 1.00 0.00 H new ATOM 0 HA TYR A 86 16.769 16.635 45.251 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.513 18.837 44.262 1.00 0.00 H new ATOM 0 HB3 TYR A 86 15.269 18.611 45.475 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.391 20.372 44.658 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.271 19.895 47.531 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.113 22.442 45.789 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.996 21.966 48.659 1.00 0.00 H new ATOM 0 HH TYR A 86 17.420 23.650 48.692 1.00 0.00 H new ATOM 1351 N THR A 87 19.112 17.303 44.560 1.00 0.00 N ATOM 1352 CA THR A 87 20.543 17.430 44.301 1.00 0.00 C ATOM 1353 C THR A 87 20.779 18.160 42.984 1.00 0.00 C ATOM 1354 O THR A 87 20.421 17.664 41.916 1.00 0.00 O ATOM 1355 CB THR A 87 21.189 16.048 44.251 1.00 0.00 C ATOM 1356 OG1 THR A 87 22.559 16.165 43.898 1.00 0.00 O ATOM 1357 CG2 THR A 87 20.467 15.148 43.253 1.00 0.00 C ATOM 0 H THR A 87 18.579 16.901 43.789 1.00 0.00 H new ATOM 0 HA THR A 87 20.994 18.006 45.109 1.00 0.00 H new ATOM 0 HB THR A 87 21.111 15.596 45.240 1.00 0.00 H new ATOM 0 HG1 THR A 87 22.967 15.274 43.870 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.945 14.169 43.234 1.00 0.00 H new ATOM 0 HG22 THR A 87 19.424 15.037 43.551 1.00 0.00 H new ATOM 0 HG23 THR A 87 20.515 15.594 42.260 1.00 0.00 H new ATOM 1365 N ILE A 88 21.384 19.342 43.066 1.00 0.00 N ATOM 1366 CA ILE A 88 21.669 20.146 41.879 1.00 0.00 C ATOM 1367 C ILE A 88 22.342 19.298 40.805 1.00 0.00 C ATOM 1368 O ILE A 88 23.492 18.886 40.954 1.00 0.00 O ATOM 1369 CB ILE A 88 22.567 21.322 42.253 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.892 22.189 43.313 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.907 22.156 41.022 1.00 0.00 C ATOM 1372 CD1 ILE A 88 22.533 21.989 44.683 1.00 0.00 C ATOM 0 H ILE A 88 21.687 19.766 43.943 1.00 0.00 H new ATOM 0 HA ILE A 88 20.727 20.524 41.481 1.00 0.00 H new ATOM 0 HB ILE A 88 23.496 20.926 42.664 1.00 0.00 H new ATOM 0 HG12 ILE A 88 21.962 23.238 43.026 1.00 0.00 H new ATOM 0 HG13 ILE A 88 20.831 21.943 43.366 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.548 22.989 41.312 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.428 21.534 40.294 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.989 22.542 40.579 1.00 0.00 H new ATOM 0 HD11 ILE A 88 22.030 22.620 45.416 1.00 0.00 H new ATOM 0 HD12 ILE A 88 22.440 20.944 44.979 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.588 22.260 44.634 1.00 0.00 H new ATOM 1384 N GLY A 89 21.617 19.041 39.721 1.00 0.00 N ATOM 1385 CA GLY A 89 22.141 18.241 38.619 1.00 0.00 C ATOM 1386 C GLY A 89 21.439 16.891 38.552 1.00 0.00 C ATOM 1387 O GLY A 89 22.080 15.843 38.630 1.00 0.00 O ATOM 0 H GLY A 89 20.664 19.376 39.582 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.004 18.775 37.678 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.213 18.093 38.748 1.00 0.00 H new ATOM 1391 N ALA A 90 20.118 16.923 38.408 1.00 0.00 N ATOM 1392 CA ALA A 90 19.325 15.700 38.331 1.00 0.00 C ATOM 1393 C ALA A 90 17.861 16.032 38.076 1.00 0.00 C ATOM 1394 O ALA A 90 17.324 16.986 38.638 1.00 0.00 O ATOM 1395 CB ALA A 90 19.459 14.911 39.630 1.00 0.00 C ATOM 0 H ALA A 90 19.573 17.783 38.342 1.00 0.00 H new ATOM 0 HA ALA A 90 19.696 15.095 37.504 1.00 0.00 H new ATOM 0 HB1 ALA A 90 18.865 14.000 39.565 1.00 0.00 H new ATOM 0 HB2 ALA A 90 20.505 14.651 39.792 1.00 0.00 H new ATOM 0 HB3 ALA A 90 19.103 15.518 40.463 1.00 0.00 H new ATOM 1401 N THR A 91 17.219 15.239 37.224 1.00 0.00 N ATOM 1402 CA THR A 91 15.813 15.448 36.894 1.00 0.00 C ATOM 1403 C THR A 91 14.922 14.681 37.866 1.00 0.00 C ATOM 1404 O THR A 91 15.049 13.466 38.011 1.00 0.00 O ATOM 1405 CB THR A 91 15.538 14.991 35.464 1.00 0.00 C ATOM 1406 OG1 THR A 91 16.409 15.661 34.565 1.00 0.00 O ATOM 1407 CG2 THR A 91 14.086 15.254 35.079 1.00 0.00 C ATOM 0 H THR A 91 17.650 14.446 36.749 1.00 0.00 H new ATOM 0 HA THR A 91 15.589 16.511 36.977 1.00 0.00 H new ATOM 0 HB THR A 91 15.718 13.918 35.406 1.00 0.00 H new ATOM 0 HG1 THR A 91 16.360 16.627 34.721 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.915 14.920 34.056 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.426 14.709 35.754 1.00 0.00 H new ATOM 0 HG23 THR A 91 13.878 16.321 35.152 1.00 0.00 H new ATOM 1415 N TYR A 92 14.028 15.401 38.535 1.00 0.00 N ATOM 1416 CA TYR A 92 13.119 14.796 39.501 1.00 0.00 C ATOM 1417 C TYR A 92 11.731 14.621 38.896 1.00 0.00 C ATOM 1418 O TYR A 92 11.029 13.656 39.197 1.00 0.00 O ATOM 1419 CB TYR A 92 13.037 15.677 40.743 1.00 0.00 C ATOM 1420 CG TYR A 92 14.368 16.267 41.137 1.00 0.00 C ATOM 1421 CD1 TYR A 92 15.255 15.530 41.903 1.00 0.00 C ATOM 1422 CD2 TYR A 92 14.705 17.546 40.731 1.00 0.00 C ATOM 1423 CE1 TYR A 92 16.478 16.073 42.261 1.00 0.00 C ATOM 1424 CE2 TYR A 92 15.928 18.087 41.090 1.00 0.00 C ATOM 1425 CZ TYR A 92 16.808 17.349 41.853 1.00 0.00 C ATOM 1426 OH TYR A 92 18.022 17.888 42.210 1.00 0.00 O ATOM 0 H TYR A 92 13.914 16.409 38.425 1.00 0.00 H new ATOM 0 HA TYR A 92 13.501 13.813 39.776 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.327 16.484 40.563 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.647 15.089 41.574 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.993 14.532 42.221 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.014 18.123 40.134 1.00 0.00 H new ATOM 0 HE1 TYR A 92 17.171 15.499 42.858 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.192 19.085 40.773 1.00 0.00 H new ATOM 0 HH TYR A 92 18.745 17.326 41.861 1.00 0.00 H new ATOM 1436 N ALA A 93 11.340 15.564 38.044 1.00 0.00 N ATOM 1437 CA ALA A 93 10.032 15.523 37.395 1.00 0.00 C ATOM 1438 C ALA A 93 9.786 14.155 36.766 1.00 0.00 C ATOM 1439 O ALA A 93 10.639 13.270 36.830 1.00 0.00 O ATOM 1440 CB ALA A 93 9.953 16.608 36.328 1.00 0.00 C ATOM 0 H ALA A 93 11.912 16.368 37.786 1.00 0.00 H new ATOM 0 HA ALA A 93 9.263 15.699 38.148 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.976 16.574 35.846 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.096 17.585 36.791 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.731 16.443 35.583 1.00 0.00 H new ATOM 1446 N PRO A 94 8.606 13.964 36.149 1.00 0.00 N ATOM 1447 CA PRO A 94 8.244 12.695 35.508 1.00 0.00 C ATOM 1448 C PRO A 94 8.859 12.555 34.120 1.00 0.00 C ATOM 1449 O PRO A 94 8.203 11.967 33.235 1.00 0.00 O ATOM 1450 CB PRO A 94 6.726 12.749 35.423 1.00 0.00 C ATOM 1451 CG PRO A 94 6.368 14.203 35.426 1.00 0.00 C ATOM 1452 CD PRO A 94 7.531 14.963 36.025 1.00 0.00 C ATOM 0 HA PRO A 94 8.613 11.837 36.070 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.368 12.260 34.517 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.269 12.232 36.267 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.167 14.549 34.412 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.461 14.372 36.007 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.833 15.793 35.386 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.270 15.386 36.995 1.00 0.00 H new