USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 475 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 2 SER OG : rot -12:sc= 0.797 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.114) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -3.21! C(o=-3.2!,f=-12!) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -0.0129 (180deg=-0.161) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -167:sc= 0.897 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 128:sc= -0.157 USER MOD Single : A 36 GLN : amide:sc= -11.4! C(o=-11!,f=-13!) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0475) USER MOD Single : A 51 ASN : amide:sc= -2.51! X(o=-2.5!,f=-2.2) USER MOD Single : A 55 ASN : amide:sc= -5.35! C(o=-5.3!,f=-6!) USER MOD Single : A 60 THR OG1 : rot -67:sc= 0.952 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -94:sc= 0.709 USER MOD ----------------------------------------------------------------- ATOM 11 N SER A 2 -8.808 -9.437 1.279 1.00 0.00 N ATOM 12 CA SER A 2 -9.010 -8.311 2.233 1.00 0.00 C ATOM 13 C SER A 2 -8.113 -7.142 1.838 1.00 0.00 C ATOM 14 O SER A 2 -7.874 -6.242 2.619 1.00 0.00 O ATOM 15 CB SER A 2 -8.653 -8.767 3.651 1.00 0.00 C ATOM 16 OG SER A 2 -8.158 -10.099 3.605 1.00 0.00 O ATOM 0 HA SER A 2 -10.054 -7.998 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.903 -8.103 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.532 -8.715 4.294 1.00 0.00 H new ATOM 0 HG SER A 2 -8.339 -10.485 2.723 1.00 0.00 H new ATOM 22 N ALA A 3 -7.610 -7.141 0.638 1.00 0.00 N ATOM 23 CA ALA A 3 -6.729 -6.022 0.217 1.00 0.00 C ATOM 24 C ALA A 3 -7.577 -4.786 -0.046 1.00 0.00 C ATOM 25 O ALA A 3 -7.144 -3.668 0.154 1.00 0.00 O ATOM 26 CB ALA A 3 -5.983 -6.401 -1.055 1.00 0.00 C ATOM 0 H ALA A 3 -7.770 -7.862 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.008 -5.814 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.339 -5.576 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.375 -7.287 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.700 -6.612 -1.848 1.00 0.00 H new ATOM 32 N LYS A 4 -8.792 -4.974 -0.465 1.00 0.00 N ATOM 33 CA LYS A 4 -9.673 -3.805 -0.703 1.00 0.00 C ATOM 34 C LYS A 4 -10.206 -3.362 0.658 1.00 0.00 C ATOM 35 O LYS A 4 -10.425 -2.193 0.908 1.00 0.00 O ATOM 36 CB LYS A 4 -10.816 -4.204 -1.645 1.00 0.00 C ATOM 37 CG LYS A 4 -11.967 -3.190 -1.544 1.00 0.00 C ATOM 38 CD LYS A 4 -12.608 -2.995 -2.925 1.00 0.00 C ATOM 39 CE LYS A 4 -11.783 -1.994 -3.745 1.00 0.00 C ATOM 40 NZ LYS A 4 -12.273 -0.613 -3.483 1.00 0.00 N ATOM 0 H LYS A 4 -9.212 -5.884 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.132 -2.985 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.452 -4.250 -2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.176 -5.200 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.714 -3.543 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.593 -2.238 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.663 -3.950 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.630 -2.633 -2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.728 -2.073 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.864 -2.224 -4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.714 0.065 -4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.274 -0.542 -3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.174 -0.396 -2.471 1.00 0.00 H new ATOM 54 N ARG A 5 -10.390 -4.302 1.547 1.00 0.00 N ATOM 55 CA ARG A 5 -10.881 -3.967 2.911 1.00 0.00 C ATOM 56 C ARG A 5 -9.790 -3.195 3.649 1.00 0.00 C ATOM 57 O ARG A 5 -10.014 -2.127 4.184 1.00 0.00 O ATOM 58 CB ARG A 5 -11.153 -5.270 3.666 1.00 0.00 C ATOM 59 CG ARG A 5 -12.196 -5.030 4.763 1.00 0.00 C ATOM 60 CD ARG A 5 -11.683 -3.976 5.746 1.00 0.00 C ATOM 61 NE ARG A 5 -12.433 -4.089 7.029 1.00 0.00 N ATOM 62 CZ ARG A 5 -11.980 -3.507 8.105 1.00 0.00 C ATOM 63 NH1 ARG A 5 -10.868 -2.825 8.059 1.00 0.00 N ATOM 64 NH2 ARG A 5 -12.639 -3.607 9.228 1.00 0.00 N ATOM 0 H ARG A 5 -10.219 -5.294 1.383 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.790 -3.368 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.509 -6.034 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.229 -5.645 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.135 -4.699 4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.403 -5.961 5.290 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.616 -4.116 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.809 -2.978 5.325 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.302 -4.622 7.066 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.353 -2.747 7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.514 -2.370 8.900 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.508 -4.140 9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.285 -3.152 10.069 1.00 0.00 H new ATOM 78 N VAL A 6 -8.603 -3.735 3.675 1.00 0.00 N ATOM 79 CA VAL A 6 -7.486 -3.049 4.369 1.00 0.00 C ATOM 80 C VAL A 6 -7.282 -1.689 3.698 1.00 0.00 C ATOM 81 O VAL A 6 -7.097 -0.676 4.345 1.00 0.00 O ATOM 82 CB VAL A 6 -6.221 -3.934 4.263 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.294 -3.452 3.140 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.463 -3.926 5.599 1.00 0.00 C ATOM 0 H VAL A 6 -8.361 -4.626 3.242 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.700 -2.891 5.426 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.540 -4.949 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.415 -4.095 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.824 -3.491 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.983 -2.427 3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.574 -4.551 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.168 -2.906 5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.109 -4.316 6.386 1.00 0.00 H new ATOM 94 N PHE A 7 -7.336 -1.673 2.400 1.00 0.00 N ATOM 95 CA PHE A 7 -7.169 -0.392 1.663 1.00 0.00 C ATOM 96 C PHE A 7 -8.275 0.571 2.114 1.00 0.00 C ATOM 97 O PHE A 7 -8.013 1.710 2.442 1.00 0.00 O ATOM 98 CB PHE A 7 -7.247 -0.653 0.151 1.00 0.00 C ATOM 99 CG PHE A 7 -7.442 0.633 -0.634 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.251 1.896 -0.048 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.846 0.557 -1.971 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.469 3.054 -0.792 1.00 0.00 C ATOM 103 CE2 PHE A 7 -8.047 1.723 -2.708 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.860 2.969 -2.115 1.00 0.00 C ATOM 0 H PHE A 7 -7.489 -2.494 1.814 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.197 0.052 1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.333 -1.146 -0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.071 -1.335 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.934 1.969 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -8.002 -0.407 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.332 4.022 -0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.349 1.660 -3.743 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.021 3.870 -2.689 1.00 0.00 H new ATOM 114 N GLU A 8 -9.500 0.135 2.173 1.00 0.00 N ATOM 115 CA GLU A 8 -10.573 1.064 2.632 1.00 0.00 C ATOM 116 C GLU A 8 -10.116 1.715 3.940 1.00 0.00 C ATOM 117 O GLU A 8 -10.228 2.911 4.129 1.00 0.00 O ATOM 118 CB GLU A 8 -11.868 0.280 2.870 1.00 0.00 C ATOM 119 CG GLU A 8 -12.563 0.018 1.531 1.00 0.00 C ATOM 120 CD GLU A 8 -13.633 -1.059 1.714 1.00 0.00 C ATOM 121 OE1 GLU A 8 -14.726 -0.716 2.131 1.00 0.00 O ATOM 122 OE2 GLU A 8 -13.341 -2.209 1.432 1.00 0.00 O ATOM 0 H GLU A 8 -9.804 -0.807 1.929 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.759 1.827 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.647 -0.664 3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.529 0.841 3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.016 0.937 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.833 -0.302 0.787 1.00 0.00 H new ATOM 129 N LYS A 9 -9.598 0.928 4.840 1.00 0.00 N ATOM 130 CA LYS A 9 -9.123 1.479 6.140 1.00 0.00 C ATOM 131 C LYS A 9 -8.036 2.531 5.881 1.00 0.00 C ATOM 132 O LYS A 9 -7.966 3.543 6.551 1.00 0.00 O ATOM 133 CB LYS A 9 -8.550 0.333 6.993 1.00 0.00 C ATOM 134 CG LYS A 9 -9.086 0.419 8.428 1.00 0.00 C ATOM 135 CD LYS A 9 -8.407 1.582 9.167 1.00 0.00 C ATOM 136 CE LYS A 9 -9.408 2.245 10.118 1.00 0.00 C ATOM 137 NZ LYS A 9 -9.877 1.248 11.122 1.00 0.00 N ATOM 0 H LYS A 9 -9.482 -0.080 4.731 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.953 1.946 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.820 -0.627 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.461 0.385 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.166 0.565 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.898 -0.517 8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.546 1.216 9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.034 2.313 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.941 3.092 10.621 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.256 2.636 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.362 1.740 11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.536 0.583 10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.061 0.725 11.499 1.00 0.00 H new ATOM 151 N PHE A 10 -7.187 2.306 4.914 1.00 0.00 N ATOM 152 CA PHE A 10 -6.109 3.291 4.619 1.00 0.00 C ATOM 153 C PHE A 10 -6.593 4.309 3.608 1.00 0.00 C ATOM 154 O PHE A 10 -6.062 5.396 3.536 1.00 0.00 O ATOM 155 CB PHE A 10 -4.893 2.560 4.076 1.00 0.00 C ATOM 156 CG PHE A 10 -4.625 1.350 4.948 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.608 1.488 6.344 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.390 0.096 4.368 1.00 0.00 C ATOM 159 CE1 PHE A 10 -4.357 0.378 7.158 1.00 0.00 C ATOM 160 CE2 PHE A 10 -4.137 -1.015 5.189 1.00 0.00 C ATOM 161 CZ PHE A 10 -4.121 -0.873 6.581 1.00 0.00 C ATOM 0 H PHE A 10 -7.195 1.480 4.315 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.839 3.813 5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.066 2.252 3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.026 3.221 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.789 2.454 6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.403 -0.016 3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.346 0.488 8.232 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.954 -1.982 4.745 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.926 -1.730 7.209 1.00 0.00 H new ATOM 171 N ASP A 11 -7.593 3.999 2.826 1.00 0.00 N ATOM 172 CA ASP A 11 -8.074 5.006 1.848 1.00 0.00 C ATOM 173 C ASP A 11 -8.306 6.303 2.600 1.00 0.00 C ATOM 174 O ASP A 11 -9.408 6.663 2.966 1.00 0.00 O ATOM 175 CB ASP A 11 -9.361 4.517 1.184 1.00 0.00 C ATOM 176 CG ASP A 11 -9.551 5.228 -0.157 1.00 0.00 C ATOM 177 OD1 ASP A 11 -8.991 6.299 -0.322 1.00 0.00 O ATOM 178 OD2 ASP A 11 -10.252 4.690 -0.997 1.00 0.00 O ATOM 0 H ASP A 11 -8.088 3.107 2.824 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.339 5.163 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.316 3.439 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.214 4.712 1.834 1.00 0.00 H new ATOM 183 N LYS A 12 -7.238 6.992 2.823 1.00 0.00 N ATOM 184 CA LYS A 12 -7.273 8.281 3.548 1.00 0.00 C ATOM 185 C LYS A 12 -7.669 9.383 2.572 1.00 0.00 C ATOM 186 O LYS A 12 -7.970 10.498 2.952 1.00 0.00 O ATOM 187 CB LYS A 12 -5.871 8.502 4.108 1.00 0.00 C ATOM 188 CG LYS A 12 -5.255 9.798 3.580 1.00 0.00 C ATOM 189 CD LYS A 12 -3.832 9.920 4.133 1.00 0.00 C ATOM 190 CE LYS A 12 -2.900 10.477 3.054 1.00 0.00 C ATOM 191 NZ LYS A 12 -1.581 10.811 3.661 1.00 0.00 N ATOM 0 H LYS A 12 -6.306 6.706 2.522 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.000 8.285 4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.914 8.535 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.234 7.659 3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.239 9.793 2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.855 10.655 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.826 10.575 5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.477 8.944 4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.771 9.745 2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.340 11.366 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.947 11.189 2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.713 11.524 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.161 9.953 4.072 1.00 0.00 H new ATOM 205 N ASN A 13 -7.700 9.052 1.317 1.00 0.00 N ATOM 206 CA ASN A 13 -8.110 10.038 0.272 1.00 0.00 C ATOM 207 C ASN A 13 -9.376 9.525 -0.428 1.00 0.00 C ATOM 208 O ASN A 13 -9.728 9.983 -1.497 1.00 0.00 O ATOM 209 CB ASN A 13 -6.985 10.189 -0.756 1.00 0.00 C ATOM 210 CG ASN A 13 -6.535 8.806 -1.229 1.00 0.00 C ATOM 211 OD1 ASN A 13 -7.350 7.937 -1.467 1.00 0.00 O ATOM 212 ND2 ASN A 13 -5.261 8.564 -1.376 1.00 0.00 N ATOM 0 H ASN A 13 -7.456 8.128 0.960 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.309 11.005 0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.330 10.780 -1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.145 10.725 -0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.949 7.645 -1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.577 9.294 -1.176 1.00 0.00 H new ATOM 219 N LYS A 14 -10.054 8.573 0.176 1.00 0.00 N ATOM 220 CA LYS A 14 -11.300 8.009 -0.444 1.00 0.00 C ATOM 221 C LYS A 14 -11.191 8.201 -1.953 1.00 0.00 C ATOM 222 O LYS A 14 -12.060 8.747 -2.605 1.00 0.00 O ATOM 223 CB LYS A 14 -12.530 8.746 0.093 1.00 0.00 C ATOM 224 CG LYS A 14 -12.363 9.009 1.600 1.00 0.00 C ATOM 225 CD LYS A 14 -11.840 10.434 1.830 1.00 0.00 C ATOM 226 CE LYS A 14 -13.010 11.421 1.828 1.00 0.00 C ATOM 227 NZ LYS A 14 -13.741 11.324 3.123 1.00 0.00 N ATOM 0 H LYS A 14 -9.797 8.162 1.073 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.405 6.952 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.661 9.689 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.427 8.153 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.318 8.877 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.670 8.285 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.309 10.487 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.126 10.700 1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.643 12.437 1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.684 11.202 1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.326 12.174 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.351 10.482 3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.057 11.249 3.903 1.00 0.00 H new ATOM 241 N ASP A 15 -10.075 7.796 -2.476 1.00 0.00 N ATOM 242 CA ASP A 15 -9.803 7.980 -3.916 1.00 0.00 C ATOM 243 C ASP A 15 -9.817 6.652 -4.641 1.00 0.00 C ATOM 244 O ASP A 15 -10.101 6.604 -5.822 1.00 0.00 O ATOM 245 CB ASP A 15 -8.428 8.635 -4.085 1.00 0.00 C ATOM 246 CG ASP A 15 -8.320 9.243 -5.485 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.216 9.016 -6.280 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.342 9.928 -5.737 1.00 0.00 O ATOM 0 H ASP A 15 -9.328 7.337 -1.955 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.580 8.615 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.286 9.408 -3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.641 7.896 -3.936 1.00 0.00 H new ATOM 253 N GLY A 16 -9.466 5.565 -4.002 1.00 0.00 N ATOM 254 CA GLY A 16 -9.421 4.283 -4.743 1.00 0.00 C ATOM 255 C GLY A 16 -7.971 4.070 -5.091 1.00 0.00 C ATOM 256 O GLY A 16 -7.612 3.220 -5.880 1.00 0.00 O ATOM 0 H GLY A 16 -9.214 5.515 -3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.803 3.464 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.038 4.327 -5.641 1.00 0.00 H new ATOM 260 N LYS A 17 -7.134 4.833 -4.438 1.00 0.00 N ATOM 261 CA LYS A 17 -5.681 4.711 -4.630 1.00 0.00 C ATOM 262 C LYS A 17 -4.958 5.163 -3.380 1.00 0.00 C ATOM 263 O LYS A 17 -5.386 6.044 -2.659 1.00 0.00 O ATOM 264 CB LYS A 17 -5.186 5.560 -5.777 1.00 0.00 C ATOM 265 CG LYS A 17 -5.891 5.188 -7.091 1.00 0.00 C ATOM 266 CD LYS A 17 -7.078 6.128 -7.326 1.00 0.00 C ATOM 267 CE LYS A 17 -6.569 7.461 -7.887 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.440 7.357 -9.367 1.00 0.00 N ATOM 0 H LYS A 17 -7.415 5.548 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.478 3.663 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.359 6.613 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.110 5.431 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.190 5.257 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.236 4.155 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.784 5.674 -8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.614 6.295 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.258 8.265 -7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.605 7.711 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.095 8.260 -9.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.767 6.601 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.368 7.137 -9.782 1.00 0.00 H new ATOM 282 N LEU A 18 -3.847 4.557 -3.149 1.00 0.00 N ATOM 283 CA LEU A 18 -3.013 4.897 -1.983 1.00 0.00 C ATOM 284 C LEU A 18 -1.692 5.447 -2.421 1.00 0.00 C ATOM 285 O LEU A 18 -1.213 5.172 -3.485 1.00 0.00 O ATOM 286 CB LEU A 18 -2.732 3.680 -1.187 1.00 0.00 C ATOM 287 CG LEU A 18 -3.522 3.714 0.088 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.007 3.676 -0.179 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.093 2.523 0.911 1.00 0.00 C ATOM 0 H LEU A 18 -3.468 3.815 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.558 5.635 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.990 2.791 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.667 3.618 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.329 4.644 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.548 3.702 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.290 4.538 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.257 2.760 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.646 2.511 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.297 1.606 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.025 2.591 1.120 1.00 0.00 H new ATOM 301 N SER A 19 -1.089 6.173 -1.559 1.00 0.00 N ATOM 302 CA SER A 19 0.240 6.730 -1.840 1.00 0.00 C ATOM 303 C SER A 19 1.228 5.919 -1.039 1.00 0.00 C ATOM 304 O SER A 19 0.893 5.374 -0.006 1.00 0.00 O ATOM 305 CB SER A 19 0.291 8.170 -1.362 1.00 0.00 C ATOM 306 OG SER A 19 -0.939 8.813 -1.668 1.00 0.00 O ATOM 0 H SER A 19 -1.468 6.414 -0.643 1.00 0.00 H new ATOM 0 HA SER A 19 0.463 6.698 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.473 8.202 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.117 8.695 -1.841 1.00 0.00 H new ATOM 0 HG SER A 19 -0.908 9.742 -1.358 1.00 0.00 H new ATOM 312 N LEU A 20 2.436 5.833 -1.472 1.00 0.00 N ATOM 313 CA LEU A 20 3.409 5.063 -0.688 1.00 0.00 C ATOM 314 C LEU A 20 3.312 5.583 0.722 1.00 0.00 C ATOM 315 O LEU A 20 3.604 4.920 1.691 1.00 0.00 O ATOM 316 CB LEU A 20 4.792 5.334 -1.258 1.00 0.00 C ATOM 317 CG LEU A 20 5.830 4.413 -0.632 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.400 5.046 0.623 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.219 3.059 -0.274 1.00 0.00 C ATOM 0 H LEU A 20 2.791 6.259 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 20 3.222 3.989 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.778 5.191 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.067 6.373 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 20 6.624 4.260 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.141 4.379 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.871 5.996 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.597 5.219 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.983 2.421 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.407 3.203 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.831 2.585 -1.176 1.00 0.00 H new ATOM 331 N ASP A 21 2.832 6.769 0.806 1.00 0.00 N ATOM 332 CA ASP A 21 2.619 7.409 2.121 1.00 0.00 C ATOM 333 C ASP A 21 1.536 6.632 2.884 1.00 0.00 C ATOM 334 O ASP A 21 1.699 6.342 4.052 1.00 0.00 O ATOM 335 CB ASP A 21 2.178 8.863 1.924 1.00 0.00 C ATOM 336 CG ASP A 21 2.559 9.689 3.157 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.804 9.667 4.114 1.00 0.00 O ATOM 338 OD2 ASP A 21 3.597 10.326 3.120 1.00 0.00 O ATOM 0 H ASP A 21 2.570 7.342 0.004 1.00 0.00 H new ATOM 0 HA ASP A 21 3.548 7.398 2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.651 9.279 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.101 8.908 1.763 1.00 0.00 H new ATOM 343 N GLU A 22 0.427 6.284 2.257 1.00 0.00 N ATOM 344 CA GLU A 22 -0.619 5.535 2.996 1.00 0.00 C ATOM 345 C GLU A 22 -0.145 4.099 3.205 1.00 0.00 C ATOM 346 O GLU A 22 -0.303 3.526 4.262 1.00 0.00 O ATOM 347 CB GLU A 22 -1.905 5.536 2.185 1.00 0.00 C ATOM 348 CG GLU A 22 -2.539 6.928 2.219 1.00 0.00 C ATOM 349 CD GLU A 22 -3.880 6.908 1.485 1.00 0.00 C ATOM 350 OE1 GLU A 22 -4.688 6.048 1.792 1.00 0.00 O ATOM 351 OE2 GLU A 22 -4.076 7.752 0.626 1.00 0.00 O ATOM 0 H GLU A 22 0.215 6.488 1.280 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.802 6.005 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.696 5.247 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.600 4.800 2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.685 7.246 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.871 7.653 1.754 1.00 0.00 H new ATOM 358 N PHE A 23 0.468 3.531 2.204 1.00 0.00 N ATOM 359 CA PHE A 23 0.993 2.158 2.311 1.00 0.00 C ATOM 360 C PHE A 23 2.209 2.173 3.252 1.00 0.00 C ATOM 361 O PHE A 23 2.530 1.180 3.867 1.00 0.00 O ATOM 362 CB PHE A 23 1.402 1.684 0.934 1.00 0.00 C ATOM 363 CG PHE A 23 1.890 0.258 0.988 1.00 0.00 C ATOM 364 CD1 PHE A 23 1.023 -0.768 1.374 1.00 0.00 C ATOM 365 CD2 PHE A 23 3.214 -0.037 0.644 1.00 0.00 C ATOM 366 CE1 PHE A 23 1.480 -2.091 1.419 1.00 0.00 C ATOM 367 CE2 PHE A 23 3.672 -1.358 0.688 1.00 0.00 C ATOM 368 CZ PHE A 23 2.805 -2.386 1.077 1.00 0.00 C ATOM 0 H PHE A 23 0.626 3.978 1.301 1.00 0.00 H new ATOM 0 HA PHE A 23 0.235 1.483 2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.556 1.759 0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.188 2.329 0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.001 -0.541 1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.883 0.756 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.810 -2.884 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.694 -1.585 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.158 -3.406 1.113 1.00 0.00 H new ATOM 378 N ARG A 24 2.869 3.307 3.400 1.00 0.00 N ATOM 379 CA ARG A 24 4.028 3.387 4.348 1.00 0.00 C ATOM 380 C ARG A 24 3.466 3.553 5.754 1.00 0.00 C ATOM 381 O ARG A 24 4.017 3.079 6.719 1.00 0.00 O ATOM 382 CB ARG A 24 4.926 4.576 4.006 1.00 0.00 C ATOM 383 CG ARG A 24 6.297 4.379 4.658 1.00 0.00 C ATOM 384 CD ARG A 24 6.964 5.737 4.875 1.00 0.00 C ATOM 385 NE ARG A 24 6.085 6.598 5.716 1.00 0.00 N ATOM 386 CZ ARG A 24 6.563 7.680 6.265 1.00 0.00 C ATOM 387 NH1 ARG A 24 7.812 8.008 6.080 1.00 0.00 N ATOM 388 NH2 ARG A 24 5.793 8.434 7.000 1.00 0.00 N ATOM 0 H ARG A 24 2.653 4.173 2.906 1.00 0.00 H new ATOM 0 HA ARG A 24 4.630 2.482 4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.034 4.666 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.472 5.502 4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.186 3.861 5.611 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.925 3.752 4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.931 5.605 5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.151 6.219 3.915 1.00 0.00 H new ATOM 0 HE ARG A 24 5.109 6.341 5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.415 7.418 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.186 8.854 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.817 8.177 7.146 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.167 9.280 7.429 1.00 0.00 H new ATOM 402 N GLU A 25 2.323 4.167 5.852 1.00 0.00 N ATOM 403 CA GLU A 25 1.664 4.297 7.175 1.00 0.00 C ATOM 404 C GLU A 25 1.133 2.906 7.464 1.00 0.00 C ATOM 405 O GLU A 25 1.151 2.400 8.568 1.00 0.00 O ATOM 406 CB GLU A 25 0.513 5.301 7.092 1.00 0.00 C ATOM 407 CG GLU A 25 -0.154 5.418 8.462 1.00 0.00 C ATOM 408 CD GLU A 25 -0.965 6.714 8.532 1.00 0.00 C ATOM 409 OE1 GLU A 25 -0.366 7.754 8.747 1.00 0.00 O ATOM 410 OE2 GLU A 25 -2.172 6.642 8.369 1.00 0.00 O ATOM 0 H GLU A 25 1.817 4.585 5.071 1.00 0.00 H new ATOM 0 HA GLU A 25 2.341 4.655 7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.886 6.274 6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.214 4.978 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.805 4.561 8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.602 5.408 9.247 1.00 0.00 H new ATOM 417 N VAL A 26 0.696 2.292 6.409 1.00 0.00 N ATOM 418 CA VAL A 26 0.168 0.908 6.422 1.00 0.00 C ATOM 419 C VAL A 26 1.300 -0.055 6.738 1.00 0.00 C ATOM 420 O VAL A 26 1.150 -1.017 7.464 1.00 0.00 O ATOM 421 CB VAL A 26 -0.271 0.651 4.983 1.00 0.00 C ATOM 422 CG1 VAL A 26 -0.064 -0.794 4.550 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.711 1.020 4.783 1.00 0.00 C ATOM 0 H VAL A 26 0.684 2.722 5.484 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.631 0.778 7.152 1.00 0.00 H new ATOM 0 HB VAL A 26 0.363 1.283 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.394 -0.916 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.993 -1.048 4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.643 -1.454 5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.996 0.826 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.335 0.424 5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.850 2.078 5.006 1.00 0.00 H new ATOM 433 N ALA A 27 2.423 0.198 6.144 1.00 0.00 N ATOM 434 CA ALA A 27 3.587 -0.689 6.327 1.00 0.00 C ATOM 435 C ALA A 27 4.243 -0.400 7.676 1.00 0.00 C ATOM 436 O ALA A 27 4.682 -1.285 8.375 1.00 0.00 O ATOM 437 CB ALA A 27 4.586 -0.444 5.191 1.00 0.00 C ATOM 0 H ALA A 27 2.584 0.996 5.529 1.00 0.00 H new ATOM 0 HA ALA A 27 3.267 -1.731 6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.450 -1.096 5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.109 -0.657 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.911 0.596 5.210 1.00 0.00 H new ATOM 443 N LEU A 28 4.301 0.845 8.033 1.00 0.00 N ATOM 444 CA LEU A 28 4.919 1.227 9.331 1.00 0.00 C ATOM 445 C LEU A 28 3.969 0.856 10.465 1.00 0.00 C ATOM 446 O LEU A 28 4.387 0.560 11.567 1.00 0.00 O ATOM 447 CB LEU A 28 5.167 2.740 9.363 1.00 0.00 C ATOM 448 CG LEU A 28 6.501 3.103 8.675 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.825 2.133 7.531 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.403 4.524 8.110 1.00 0.00 C ATOM 0 H LEU A 28 3.945 1.624 7.479 1.00 0.00 H new ATOM 0 HA LEU A 28 5.867 0.701 9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.346 3.256 8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.182 3.087 10.396 1.00 0.00 H new ATOM 0 HG LEU A 28 7.296 3.036 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.770 2.418 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.904 1.120 7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.031 2.171 6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.342 4.787 7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.591 4.572 7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.206 5.225 8.921 1.00 0.00 H new ATOM 462 N ALA A 29 2.690 0.886 10.212 1.00 0.00 N ATOM 463 CA ALA A 29 1.702 0.557 11.274 1.00 0.00 C ATOM 464 C ALA A 29 1.598 -0.959 11.508 1.00 0.00 C ATOM 465 O ALA A 29 1.808 -1.441 12.602 1.00 0.00 O ATOM 466 CB ALA A 29 0.338 1.084 10.830 1.00 0.00 C ATOM 0 H ALA A 29 2.285 1.126 9.307 1.00 0.00 H new ATOM 0 HA ALA A 29 2.026 1.017 12.208 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.406 0.855 11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.393 2.163 10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.053 0.610 9.891 1.00 0.00 H new ATOM 472 N PHE A 30 1.231 -1.705 10.497 1.00 0.00 N ATOM 473 CA PHE A 30 1.062 -3.181 10.671 1.00 0.00 C ATOM 474 C PHE A 30 2.398 -3.915 10.515 1.00 0.00 C ATOM 475 O PHE A 30 2.735 -4.770 11.309 1.00 0.00 O ATOM 476 CB PHE A 30 0.064 -3.697 9.620 1.00 0.00 C ATOM 477 CG PHE A 30 -1.101 -4.376 10.305 1.00 0.00 C ATOM 478 CD1 PHE A 30 -1.022 -5.734 10.636 1.00 0.00 C ATOM 479 CD2 PHE A 30 -2.256 -3.647 10.605 1.00 0.00 C ATOM 480 CE1 PHE A 30 -2.101 -6.362 11.269 1.00 0.00 C ATOM 481 CE2 PHE A 30 -3.336 -4.276 11.238 1.00 0.00 C ATOM 482 CZ PHE A 30 -3.258 -5.634 11.571 1.00 0.00 C ATOM 0 H PHE A 30 1.041 -1.356 9.558 1.00 0.00 H new ATOM 0 HA PHE A 30 0.687 -3.373 11.676 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.295 -2.869 9.009 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.560 -4.397 8.948 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.130 -6.296 10.403 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.315 -2.600 10.349 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.041 -7.410 11.525 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.229 -3.714 11.469 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.090 -6.119 12.060 1.00 0.00 H new ATOM 492 N SER A 31 3.153 -3.604 9.495 1.00 0.00 N ATOM 493 CA SER A 31 4.459 -4.301 9.287 1.00 0.00 C ATOM 494 C SER A 31 5.606 -3.318 9.526 1.00 0.00 C ATOM 495 O SER A 31 6.283 -2.918 8.600 1.00 0.00 O ATOM 496 CB SER A 31 4.530 -4.813 7.848 1.00 0.00 C ATOM 497 OG SER A 31 5.651 -5.678 7.714 1.00 0.00 O ATOM 0 H SER A 31 2.923 -2.898 8.796 1.00 0.00 H new ATOM 0 HA SER A 31 4.542 -5.136 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.613 -5.344 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.617 -3.976 7.155 1.00 0.00 H new ATOM 0 HG SER A 31 5.822 -5.847 6.764 1.00 0.00 H new ATOM 503 N PRO A 32 5.824 -2.919 10.752 1.00 0.00 N ATOM 504 CA PRO A 32 6.906 -1.954 11.090 1.00 0.00 C ATOM 505 C PRO A 32 8.276 -2.442 10.616 1.00 0.00 C ATOM 506 O PRO A 32 9.195 -1.663 10.453 1.00 0.00 O ATOM 507 CB PRO A 32 6.862 -1.841 12.623 1.00 0.00 C ATOM 508 CG PRO A 32 6.022 -2.986 13.096 1.00 0.00 C ATOM 509 CD PRO A 32 5.080 -3.341 11.948 1.00 0.00 C ATOM 0 HA PRO A 32 6.755 -0.994 10.596 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.865 -1.891 13.047 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.433 -0.888 12.932 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.645 -3.839 13.363 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.459 -2.711 13.988 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.857 -4.408 11.927 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.128 -2.818 12.034 1.00 0.00 H new ATOM 517 N TYR A 33 8.430 -3.720 10.390 1.00 0.00 N ATOM 518 CA TYR A 33 9.747 -4.233 9.928 1.00 0.00 C ATOM 519 C TYR A 33 9.915 -3.933 8.436 1.00 0.00 C ATOM 520 O TYR A 33 10.988 -4.081 7.887 1.00 0.00 O ATOM 521 CB TYR A 33 9.826 -5.752 10.166 1.00 0.00 C ATOM 522 CG TYR A 33 8.535 -6.242 10.779 1.00 0.00 C ATOM 523 CD1 TYR A 33 8.314 -6.095 12.154 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.560 -6.843 9.974 1.00 0.00 C ATOM 525 CE1 TYR A 33 7.117 -6.550 12.723 1.00 0.00 C ATOM 526 CE2 TYR A 33 6.364 -7.297 10.542 1.00 0.00 C ATOM 527 CZ TYR A 33 6.143 -7.150 11.917 1.00 0.00 C ATOM 528 OH TYR A 33 4.964 -7.598 12.477 1.00 0.00 O ATOM 0 H TYR A 33 7.703 -4.426 10.505 1.00 0.00 H new ATOM 0 HA TYR A 33 10.544 -3.743 10.488 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.011 -6.268 9.224 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.663 -5.983 10.825 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.066 -5.631 12.776 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.731 -6.956 8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.946 -6.438 13.783 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.612 -7.760 9.920 1.00 0.00 H new ATOM 0 HH TYR A 33 4.397 -7.987 11.779 1.00 0.00 H new ATOM 538 N PHE A 34 8.873 -3.503 7.769 1.00 0.00 N ATOM 539 CA PHE A 34 9.021 -3.194 6.318 1.00 0.00 C ATOM 540 C PHE A 34 9.958 -2.018 6.180 1.00 0.00 C ATOM 541 O PHE A 34 9.712 -0.941 6.683 1.00 0.00 O ATOM 542 CB PHE A 34 7.662 -2.836 5.682 1.00 0.00 C ATOM 543 CG PHE A 34 7.060 -4.039 4.992 1.00 0.00 C ATOM 544 CD1 PHE A 34 7.196 -5.304 5.562 1.00 0.00 C ATOM 545 CD2 PHE A 34 6.362 -3.886 3.781 1.00 0.00 C ATOM 546 CE1 PHE A 34 6.641 -6.424 4.932 1.00 0.00 C ATOM 547 CE2 PHE A 34 5.807 -5.006 3.150 1.00 0.00 C ATOM 548 CZ PHE A 34 5.946 -6.274 3.725 1.00 0.00 C ATOM 0 H PHE A 34 7.942 -3.355 8.160 1.00 0.00 H new ATOM 0 HA PHE A 34 9.414 -4.072 5.805 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.980 -2.473 6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.793 -2.027 4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.731 -5.420 6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.254 -2.907 3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.748 -7.403 5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.271 -4.891 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.517 -7.137 3.238 1.00 0.00 H new ATOM 558 N THR A 35 11.044 -2.225 5.510 1.00 0.00 N ATOM 559 CA THR A 35 12.009 -1.129 5.351 1.00 0.00 C ATOM 560 C THR A 35 11.541 -0.182 4.267 1.00 0.00 C ATOM 561 O THR A 35 10.989 -0.574 3.262 1.00 0.00 O ATOM 562 CB THR A 35 13.377 -1.696 5.000 1.00 0.00 C ATOM 563 OG1 THR A 35 13.273 -3.097 4.784 1.00 0.00 O ATOM 564 CG2 THR A 35 14.302 -1.422 6.167 1.00 0.00 C ATOM 0 H THR A 35 11.302 -3.107 5.067 1.00 0.00 H new ATOM 0 HA THR A 35 12.084 -0.578 6.288 1.00 0.00 H new ATOM 0 HB THR A 35 13.763 -1.234 4.092 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.679 -3.326 3.922 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.293 -1.817 5.946 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.369 -0.347 6.334 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.910 -1.904 7.063 1.00 0.00 H new ATOM 572 N GLN A 36 11.764 1.069 4.484 1.00 0.00 N ATOM 573 CA GLN A 36 11.345 2.083 3.506 1.00 0.00 C ATOM 574 C GLN A 36 11.862 1.718 2.122 1.00 0.00 C ATOM 575 O GLN A 36 11.253 2.034 1.128 1.00 0.00 O ATOM 576 CB GLN A 36 11.934 3.413 3.935 1.00 0.00 C ATOM 577 CG GLN A 36 11.286 4.548 3.139 1.00 0.00 C ATOM 578 CD GLN A 36 9.764 4.438 3.189 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.203 4.041 4.192 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.067 4.784 2.144 1.00 0.00 N ATOM 0 H GLN A 36 12.228 1.438 5.314 1.00 0.00 H new ATOM 0 HA GLN A 36 10.257 2.140 3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 36 11.771 3.566 5.002 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.012 3.413 3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.600 5.510 3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.625 4.513 2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.539 5.117 1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.049 4.722 2.167 1.00 0.00 H new ATOM 589 N GLU A 37 12.970 1.042 2.056 1.00 0.00 N ATOM 590 CA GLU A 37 13.514 0.645 0.729 1.00 0.00 C ATOM 591 C GLU A 37 12.685 -0.523 0.196 1.00 0.00 C ATOM 592 O GLU A 37 12.420 -0.622 -0.984 1.00 0.00 O ATOM 593 CB GLU A 37 14.979 0.224 0.874 1.00 0.00 C ATOM 594 CG GLU A 37 15.666 0.280 -0.493 1.00 0.00 C ATOM 595 CD GLU A 37 17.153 -0.041 -0.329 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.879 0.827 0.124 1.00 0.00 O ATOM 597 OE2 GLU A 37 17.539 -1.150 -0.661 1.00 0.00 O ATOM 0 H GLU A 37 13.523 0.747 2.861 1.00 0.00 H new ATOM 0 HA GLU A 37 13.461 1.485 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.490 0.883 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.039 -0.785 1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.202 -0.433 -1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.543 1.269 -0.934 1.00 0.00 H new ATOM 604 N ASP A 38 12.256 -1.401 1.060 1.00 0.00 N ATOM 605 CA ASP A 38 11.427 -2.549 0.604 1.00 0.00 C ATOM 606 C ASP A 38 10.025 -2.040 0.259 1.00 0.00 C ATOM 607 O ASP A 38 9.417 -2.461 -0.704 1.00 0.00 O ATOM 608 CB ASP A 38 11.334 -3.592 1.719 1.00 0.00 C ATOM 609 CG ASP A 38 12.716 -4.198 1.967 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.539 -4.134 1.070 1.00 0.00 O ATOM 611 OD2 ASP A 38 12.928 -4.717 3.051 1.00 0.00 O ATOM 0 H ASP A 38 12.444 -1.372 2.062 1.00 0.00 H new ATOM 0 HA ASP A 38 11.882 -3.007 -0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.958 -3.131 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.627 -4.374 1.442 1.00 0.00 H new ATOM 616 N ILE A 39 9.513 -1.127 1.041 1.00 0.00 N ATOM 617 CA ILE A 39 8.153 -0.579 0.766 1.00 0.00 C ATOM 618 C ILE A 39 8.196 0.257 -0.507 1.00 0.00 C ATOM 619 O ILE A 39 7.332 0.173 -1.350 1.00 0.00 O ATOM 620 CB ILE A 39 7.710 0.325 1.923 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.948 -0.373 3.259 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.215 0.619 1.793 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.125 0.664 4.383 1.00 0.00 C ATOM 0 H ILE A 39 9.979 -0.736 1.860 1.00 0.00 H new ATOM 0 HA ILE A 39 7.453 -1.407 0.655 1.00 0.00 H new ATOM 0 HB ILE A 39 8.286 1.249 1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.108 -1.028 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.835 -1.003 3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.898 1.261 2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.024 1.121 0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.656 -0.316 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.294 0.150 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.980 1.301 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.226 1.276 4.458 1.00 0.00 H new ATOM 635 N VAL A 40 9.192 1.082 -0.632 1.00 0.00 N ATOM 636 CA VAL A 40 9.300 1.941 -1.830 1.00 0.00 C ATOM 637 C VAL A 40 9.774 1.123 -3.018 1.00 0.00 C ATOM 638 O VAL A 40 9.297 1.295 -4.113 1.00 0.00 O ATOM 639 CB VAL A 40 10.252 3.074 -1.546 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.739 3.822 -0.327 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.644 2.526 -1.301 1.00 0.00 C ATOM 0 H VAL A 40 9.940 1.197 0.052 1.00 0.00 H new ATOM 0 HA VAL A 40 8.321 2.355 -2.073 1.00 0.00 H new ATOM 0 HB VAL A 40 10.308 3.755 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.411 4.649 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.741 4.211 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.696 3.143 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.328 3.349 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.624 1.850 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.982 1.984 -2.184 1.00 0.00 H new ATOM 651 N LYS A 41 10.670 0.196 -2.836 1.00 0.00 N ATOM 652 CA LYS A 41 11.066 -0.611 -4.013 1.00 0.00 C ATOM 653 C LYS A 41 9.782 -1.233 -4.535 1.00 0.00 C ATOM 654 O LYS A 41 9.406 -1.063 -5.674 1.00 0.00 O ATOM 655 CB LYS A 41 12.030 -1.724 -3.585 1.00 0.00 C ATOM 656 CG LYS A 41 12.504 -2.498 -4.818 1.00 0.00 C ATOM 657 CD LYS A 41 13.149 -3.814 -4.378 1.00 0.00 C ATOM 658 CE LYS A 41 13.642 -4.580 -5.608 1.00 0.00 C ATOM 659 NZ LYS A 41 14.908 -3.967 -6.098 1.00 0.00 N ATOM 0 H LYS A 41 11.130 -0.031 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 41 11.565 -0.002 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.885 -1.296 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.534 -2.400 -2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.662 -2.697 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.220 -1.901 -5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.981 -3.615 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.428 -4.417 -3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.806 -5.628 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.886 -4.556 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.324 -4.572 -6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.708 -3.027 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.577 -3.874 -5.307 1.00 0.00 H new ATOM 673 N PHE A 42 9.117 -1.953 -3.682 1.00 0.00 N ATOM 674 CA PHE A 42 7.851 -2.625 -4.054 1.00 0.00 C ATOM 675 C PHE A 42 6.772 -1.609 -4.464 1.00 0.00 C ATOM 676 O PHE A 42 6.144 -1.757 -5.493 1.00 0.00 O ATOM 677 CB PHE A 42 7.383 -3.424 -2.842 1.00 0.00 C ATOM 678 CG PHE A 42 6.152 -4.218 -3.190 1.00 0.00 C ATOM 679 CD1 PHE A 42 6.158 -5.080 -4.297 1.00 0.00 C ATOM 680 CD2 PHE A 42 5.008 -4.107 -2.396 1.00 0.00 C ATOM 681 CE1 PHE A 42 5.018 -5.827 -4.603 1.00 0.00 C ATOM 682 CE2 PHE A 42 3.871 -4.856 -2.702 1.00 0.00 C ATOM 683 CZ PHE A 42 3.875 -5.716 -3.808 1.00 0.00 C ATOM 0 H PHE A 42 9.408 -2.106 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 42 8.020 -3.275 -4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.176 -4.094 -2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.168 -2.750 -2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.042 -5.166 -4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.004 -3.442 -1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.020 -6.491 -5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.988 -4.773 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.994 -6.293 -4.046 1.00 0.00 H new ATOM 693 N PHE A 43 6.546 -0.582 -3.686 1.00 0.00 N ATOM 694 CA PHE A 43 5.504 0.418 -4.071 1.00 0.00 C ATOM 695 C PHE A 43 5.921 1.060 -5.387 1.00 0.00 C ATOM 696 O PHE A 43 5.175 1.104 -6.346 1.00 0.00 O ATOM 697 CB PHE A 43 5.433 1.467 -2.976 1.00 0.00 C ATOM 698 CG PHE A 43 4.560 2.630 -3.387 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.019 3.572 -4.310 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.304 2.789 -2.803 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.218 4.667 -4.640 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.508 3.883 -3.135 1.00 0.00 C ATOM 703 CZ PHE A 43 2.966 4.824 -4.052 1.00 0.00 C ATOM 0 H PHE A 43 7.032 -0.393 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 43 4.527 -0.051 -4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.039 1.018 -2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.437 1.826 -2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.990 3.454 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.947 2.061 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.571 5.396 -5.355 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.535 4.001 -2.681 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.351 5.675 -4.307 1.00 0.00 H new ATOM 713 N GLU A 44 7.134 1.517 -5.439 1.00 0.00 N ATOM 714 CA GLU A 44 7.641 2.111 -6.702 1.00 0.00 C ATOM 715 C GLU A 44 7.429 1.062 -7.802 1.00 0.00 C ATOM 716 O GLU A 44 7.115 1.373 -8.933 1.00 0.00 O ATOM 717 CB GLU A 44 9.135 2.442 -6.572 1.00 0.00 C ATOM 718 CG GLU A 44 9.348 3.467 -5.444 1.00 0.00 C ATOM 719 CD GLU A 44 10.771 3.345 -4.889 1.00 0.00 C ATOM 720 OE1 GLU A 44 11.322 2.261 -4.950 1.00 0.00 O ATOM 721 OE2 GLU A 44 11.285 4.343 -4.413 1.00 0.00 O ATOM 0 H GLU A 44 7.797 1.506 -4.664 1.00 0.00 H new ATOM 0 HA GLU A 44 7.115 3.037 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.701 1.534 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.511 2.841 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.181 4.476 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.622 3.300 -4.648 1.00 0.00 H new ATOM 728 N GLU A 45 7.596 -0.189 -7.451 1.00 0.00 N ATOM 729 CA GLU A 45 7.412 -1.307 -8.417 1.00 0.00 C ATOM 730 C GLU A 45 5.930 -1.600 -8.652 1.00 0.00 C ATOM 731 O GLU A 45 5.523 -1.952 -9.742 1.00 0.00 O ATOM 732 CB GLU A 45 8.034 -2.567 -7.822 1.00 0.00 C ATOM 733 CG GLU A 45 8.530 -3.471 -8.943 1.00 0.00 C ATOM 734 CD GLU A 45 7.361 -3.841 -9.859 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.544 -4.648 -9.447 1.00 0.00 O ATOM 736 OE2 GLU A 45 7.304 -3.310 -10.957 1.00 0.00 O ATOM 0 H GLU A 45 7.859 -0.485 -6.511 1.00 0.00 H new ATOM 0 HA GLU A 45 7.879 -1.023 -9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.861 -2.300 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.299 -3.095 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.307 -2.965 -9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.978 -4.373 -8.525 1.00 0.00 H new ATOM 743 N ILE A 46 5.123 -1.495 -7.631 1.00 0.00 N ATOM 744 CA ILE A 46 3.679 -1.809 -7.798 1.00 0.00 C ATOM 745 C ILE A 46 2.929 -0.562 -8.256 1.00 0.00 C ATOM 746 O ILE A 46 1.996 -0.640 -9.030 1.00 0.00 O ATOM 747 CB ILE A 46 3.113 -2.346 -6.472 1.00 0.00 C ATOM 748 CG1 ILE A 46 2.238 -3.571 -6.759 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.270 -1.290 -5.775 1.00 0.00 C ATOM 750 CD1 ILE A 46 3.113 -4.769 -7.151 1.00 0.00 C ATOM 0 H ILE A 46 5.401 -1.206 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 46 3.553 -2.578 -8.560 1.00 0.00 H new ATOM 0 HB ILE A 46 3.946 -2.615 -5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.645 -3.818 -5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.537 -3.346 -7.562 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.881 -1.694 -4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.884 -0.415 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.439 -1.004 -6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.479 -5.632 -7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.686 -4.524 -8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.796 -5.003 -6.335 1.00 0.00 H new ATOM 762 N ASP A 47 3.349 0.592 -7.824 1.00 0.00 N ATOM 763 CA ASP A 47 2.673 1.826 -8.292 1.00 0.00 C ATOM 764 C ASP A 47 2.986 1.936 -9.777 1.00 0.00 C ATOM 765 O ASP A 47 3.856 2.681 -10.186 1.00 0.00 O ATOM 766 CB ASP A 47 3.236 3.036 -7.538 1.00 0.00 C ATOM 767 CG ASP A 47 2.200 4.158 -7.516 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.649 4.451 -8.564 1.00 0.00 O ATOM 769 OD2 ASP A 47 1.976 4.702 -6.452 1.00 0.00 O ATOM 0 H ASP A 47 4.123 0.732 -7.174 1.00 0.00 H new ATOM 0 HA ASP A 47 1.598 1.795 -8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.499 2.751 -6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.151 3.382 -8.019 1.00 0.00 H new ATOM 774 N VAL A 48 2.327 1.161 -10.590 1.00 0.00 N ATOM 775 CA VAL A 48 2.611 1.153 -12.058 1.00 0.00 C ATOM 776 C VAL A 48 2.044 2.358 -12.785 1.00 0.00 C ATOM 777 O VAL A 48 2.480 2.704 -13.864 1.00 0.00 O ATOM 778 CB VAL A 48 1.892 -0.058 -12.639 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.394 0.033 -12.310 1.00 0.00 C ATOM 780 CG2 VAL A 48 2.060 -0.071 -14.158 1.00 0.00 C ATOM 0 H VAL A 48 1.590 0.520 -10.297 1.00 0.00 H new ATOM 0 HA VAL A 48 3.694 1.148 -12.185 1.00 0.00 H new ATOM 0 HB VAL A 48 2.315 -0.967 -12.211 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.123 -0.832 -12.725 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.260 0.052 -11.228 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.019 0.944 -12.743 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.546 -0.937 -14.574 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.635 0.840 -14.579 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.120 -0.125 -14.406 1.00 0.00 H new ATOM 790 N ASP A 49 1.042 2.951 -12.253 1.00 0.00 N ATOM 791 CA ASP A 49 0.409 4.078 -12.973 1.00 0.00 C ATOM 792 C ASP A 49 1.277 5.313 -12.816 1.00 0.00 C ATOM 793 O ASP A 49 1.156 6.273 -13.551 1.00 0.00 O ATOM 794 CB ASP A 49 -1.004 4.271 -12.417 1.00 0.00 C ATOM 795 CG ASP A 49 -1.229 5.718 -11.975 1.00 0.00 C ATOM 796 OD1 ASP A 49 -1.014 6.606 -12.783 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.618 5.910 -10.837 1.00 0.00 O ATOM 0 H ASP A 49 0.626 2.713 -11.353 1.00 0.00 H new ATOM 0 HA ASP A 49 0.323 3.878 -14.041 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.737 4.002 -13.177 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.160 3.601 -11.572 1.00 0.00 H new ATOM 802 N GLY A 50 2.188 5.276 -11.894 1.00 0.00 N ATOM 803 CA GLY A 50 3.111 6.410 -11.708 1.00 0.00 C ATOM 804 C GLY A 50 2.397 7.635 -11.138 1.00 0.00 C ATOM 805 O GLY A 50 2.967 8.705 -11.060 1.00 0.00 O ATOM 0 H GLY A 50 2.331 4.495 -11.254 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.918 6.115 -11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.568 6.667 -12.664 1.00 0.00 H new ATOM 809 N ASN A 51 1.174 7.502 -10.711 1.00 0.00 N ATOM 810 CA ASN A 51 0.483 8.679 -10.125 1.00 0.00 C ATOM 811 C ASN A 51 1.013 8.849 -8.711 1.00 0.00 C ATOM 812 O ASN A 51 0.586 9.705 -7.963 1.00 0.00 O ATOM 813 CB ASN A 51 -1.029 8.444 -10.086 1.00 0.00 C ATOM 814 CG ASN A 51 -1.731 9.722 -9.627 1.00 0.00 C ATOM 815 OD1 ASN A 51 -1.334 10.813 -9.991 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.767 9.637 -8.840 1.00 0.00 N ATOM 0 H ASN A 51 0.629 6.640 -10.742 1.00 0.00 H new ATOM 0 HA ASN A 51 0.669 9.570 -10.725 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.388 8.153 -11.073 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.263 7.624 -9.407 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.243 10.484 -8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.101 8.723 -8.534 1.00 0.00 H new ATOM 823 N GLY A 52 1.955 8.021 -8.349 1.00 0.00 N ATOM 824 CA GLY A 52 2.539 8.102 -6.989 1.00 0.00 C ATOM 825 C GLY A 52 1.582 7.456 -5.993 1.00 0.00 C ATOM 826 O GLY A 52 1.611 7.750 -4.814 1.00 0.00 O ATOM 0 H GLY A 52 2.344 7.289 -8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.504 7.597 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.717 9.143 -6.718 1.00 0.00 H new ATOM 830 N GLU A 53 0.713 6.593 -6.456 1.00 0.00 N ATOM 831 CA GLU A 53 -0.258 5.951 -5.524 1.00 0.00 C ATOM 832 C GLU A 53 -0.567 4.520 -5.955 1.00 0.00 C ATOM 833 O GLU A 53 -0.446 4.162 -7.110 1.00 0.00 O ATOM 834 CB GLU A 53 -1.566 6.769 -5.512 1.00 0.00 C ATOM 835 CG GLU A 53 -1.287 8.212 -5.943 1.00 0.00 C ATOM 836 CD GLU A 53 -2.586 9.018 -5.893 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.559 8.505 -5.366 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.585 10.136 -6.381 1.00 0.00 O ATOM 0 H GLU A 53 0.635 6.308 -7.432 1.00 0.00 H new ATOM 0 HA GLU A 53 0.184 5.925 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.294 6.315 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.003 6.757 -4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.542 8.661 -5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.875 8.228 -6.952 1.00 0.00 H new ATOM 845 N LEU A 54 -0.994 3.705 -5.024 1.00 0.00 N ATOM 846 CA LEU A 54 -1.341 2.315 -5.359 1.00 0.00 C ATOM 847 C LEU A 54 -2.722 2.306 -5.981 1.00 0.00 C ATOM 848 O LEU A 54 -3.640 2.909 -5.476 1.00 0.00 O ATOM 849 CB LEU A 54 -1.438 1.497 -4.083 1.00 0.00 C ATOM 850 CG LEU A 54 -0.088 1.313 -3.399 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.099 1.431 -4.372 1.00 0.00 C ATOM 852 CD2 LEU A 54 -0.005 2.344 -2.305 1.00 0.00 C ATOM 0 H LEU A 54 -1.114 3.956 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.586 1.906 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.126 1.986 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.860 0.519 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.020 0.303 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.032 1.291 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.013 0.668 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.094 2.418 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.949 2.249 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.085 3.341 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.819 2.190 -1.597 1.00 0.00 H new ATOM 864 N ASN A 55 -2.882 1.619 -7.062 1.00 0.00 N ATOM 865 CA ASN A 55 -4.228 1.564 -7.706 1.00 0.00 C ATOM 866 C ASN A 55 -4.980 0.345 -7.184 1.00 0.00 C ATOM 867 O ASN A 55 -4.481 -0.401 -6.368 1.00 0.00 O ATOM 868 CB ASN A 55 -4.110 1.477 -9.231 1.00 0.00 C ATOM 869 CG ASN A 55 -2.657 1.244 -9.635 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.760 1.901 -9.144 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.387 0.331 -10.522 1.00 0.00 N ATOM 0 H ASN A 55 -2.148 1.091 -7.535 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.769 2.478 -7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.734 0.665 -9.606 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.478 2.397 -9.685 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.421 0.166 -10.806 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.141 -0.219 -10.933 1.00 0.00 H new ATOM 878 N ALA A 56 -6.182 0.150 -7.650 1.00 0.00 N ATOM 879 CA ALA A 56 -7.009 -1.004 -7.176 1.00 0.00 C ATOM 880 C ALA A 56 -6.378 -2.360 -7.562 1.00 0.00 C ATOM 881 O ALA A 56 -6.081 -3.177 -6.703 1.00 0.00 O ATOM 882 CB ALA A 56 -8.418 -0.851 -7.756 1.00 0.00 C ATOM 0 H ALA A 56 -6.634 0.744 -8.345 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.056 -0.996 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.040 -1.682 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.853 0.088 -7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.365 -0.850 -8.845 1.00 0.00 H new ATOM 888 N ASP A 57 -6.176 -2.645 -8.818 1.00 0.00 N ATOM 889 CA ASP A 57 -5.581 -3.971 -9.175 1.00 0.00 C ATOM 890 C ASP A 57 -4.212 -4.135 -8.505 1.00 0.00 C ATOM 891 O ASP A 57 -3.897 -5.170 -7.935 1.00 0.00 O ATOM 892 CB ASP A 57 -5.415 -4.059 -10.694 1.00 0.00 C ATOM 893 CG ASP A 57 -5.087 -5.498 -11.090 1.00 0.00 C ATOM 894 OD1 ASP A 57 -4.216 -6.080 -10.465 1.00 0.00 O ATOM 895 OD2 ASP A 57 -5.714 -5.996 -12.012 1.00 0.00 O ATOM 0 H ASP A 57 -6.392 -2.031 -9.604 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.244 -4.763 -8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.330 -3.734 -11.190 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.620 -3.390 -11.023 1.00 0.00 H new ATOM 900 N GLU A 58 -3.395 -3.124 -8.560 1.00 0.00 N ATOM 901 CA GLU A 58 -2.055 -3.222 -7.928 1.00 0.00 C ATOM 902 C GLU A 58 -2.243 -3.260 -6.417 1.00 0.00 C ATOM 903 O GLU A 58 -1.466 -3.853 -5.696 1.00 0.00 O ATOM 904 CB GLU A 58 -1.181 -2.026 -8.337 1.00 0.00 C ATOM 905 CG GLU A 58 -0.835 -2.111 -9.831 1.00 0.00 C ATOM 906 CD GLU A 58 -0.323 -3.510 -10.186 1.00 0.00 C ATOM 907 OE1 GLU A 58 0.451 -4.052 -9.414 1.00 0.00 O ATOM 908 OE2 GLU A 58 -0.713 -4.015 -11.224 1.00 0.00 O ATOM 0 H GLU A 58 -3.598 -2.234 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.549 -4.129 -8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.707 -1.094 -8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.266 -2.014 -7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.717 -1.878 -10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.077 -1.367 -10.077 1.00 0.00 H new ATOM 915 N PHE A 59 -3.286 -2.647 -5.937 1.00 0.00 N ATOM 916 CA PHE A 59 -3.558 -2.653 -4.475 1.00 0.00 C ATOM 917 C PHE A 59 -3.575 -4.095 -3.987 1.00 0.00 C ATOM 918 O PHE A 59 -2.993 -4.437 -2.978 1.00 0.00 O ATOM 919 CB PHE A 59 -4.967 -2.115 -4.238 1.00 0.00 C ATOM 920 CG PHE A 59 -4.956 -0.731 -3.686 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.229 -0.432 -2.539 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.696 0.257 -4.325 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.249 0.864 -2.043 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.709 1.535 -3.839 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.995 1.849 -2.705 1.00 0.00 C ATOM 0 H PHE A 59 -3.968 -2.138 -6.500 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.801 -2.058 -3.964 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.521 -2.125 -5.177 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.495 -2.775 -3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.656 -1.199 -2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.264 0.014 -5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.693 1.112 -1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.280 2.299 -4.346 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.010 2.859 -2.323 1.00 0.00 H new ATOM 935 N THR A 60 -4.248 -4.948 -4.711 1.00 0.00 N ATOM 936 CA THR A 60 -4.317 -6.372 -4.299 1.00 0.00 C ATOM 937 C THR A 60 -2.939 -6.986 -4.441 1.00 0.00 C ATOM 938 O THR A 60 -2.421 -7.580 -3.520 1.00 0.00 O ATOM 939 CB THR A 60 -5.319 -7.105 -5.182 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.859 -7.104 -6.527 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.662 -6.386 -5.093 1.00 0.00 C ATOM 0 H THR A 60 -4.751 -4.717 -5.568 1.00 0.00 H new ATOM 0 HA THR A 60 -4.642 -6.452 -3.262 1.00 0.00 H new ATOM 0 HB THR A 60 -5.429 -8.137 -4.848 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.873 -6.189 -6.877 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.391 -6.899 -5.720 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.008 -6.387 -4.059 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.548 -5.358 -5.436 1.00 0.00 H new ATOM 949 N SER A 61 -2.325 -6.828 -5.574 1.00 0.00 N ATOM 950 CA SER A 61 -0.962 -7.387 -5.739 1.00 0.00 C ATOM 951 C SER A 61 -0.042 -6.727 -4.710 1.00 0.00 C ATOM 952 O SER A 61 0.979 -7.284 -4.293 1.00 0.00 O ATOM 953 CB SER A 61 -0.449 -7.074 -7.147 1.00 0.00 C ATOM 954 OG SER A 61 0.602 -7.975 -7.475 1.00 0.00 O ATOM 0 H SER A 61 -2.703 -6.341 -6.386 1.00 0.00 H new ATOM 0 HA SER A 61 -0.980 -8.467 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.260 -7.164 -7.870 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.091 -6.046 -7.196 1.00 0.00 H new ATOM 0 HG SER A 61 0.932 -7.778 -8.377 1.00 0.00 H new ATOM 960 N CYS A 62 -0.441 -5.585 -4.203 1.00 0.00 N ATOM 961 CA CYS A 62 0.381 -4.930 -3.161 1.00 0.00 C ATOM 962 C CYS A 62 0.292 -5.791 -1.924 1.00 0.00 C ATOM 963 O CYS A 62 1.263 -6.034 -1.235 1.00 0.00 O ATOM 964 CB CYS A 62 -0.159 -3.528 -2.861 1.00 0.00 C ATOM 965 SG CYS A 62 1.143 -2.534 -2.093 1.00 0.00 S ATOM 0 H CYS A 62 -1.292 -5.090 -4.468 1.00 0.00 H new ATOM 0 HA CYS A 62 1.414 -4.826 -3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.500 -3.053 -3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.021 -3.593 -2.198 1.00 0.00 H new ATOM 0 HG CYS A 62 1.043 -2.613 -0.799 1.00 0.00 H new ATOM 971 N ILE A 63 -0.880 -6.282 -1.654 1.00 0.00 N ATOM 972 CA ILE A 63 -1.048 -7.157 -0.482 1.00 0.00 C ATOM 973 C ILE A 63 -0.536 -8.537 -0.839 1.00 0.00 C ATOM 974 O ILE A 63 0.055 -9.201 -0.010 1.00 0.00 O ATOM 975 CB ILE A 63 -2.517 -7.215 -0.080 1.00 0.00 C ATOM 976 CG1 ILE A 63 -3.069 -5.790 0.010 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.646 -7.895 1.284 1.00 0.00 C ATOM 978 CD1 ILE A 63 -2.056 -4.884 0.711 1.00 0.00 C ATOM 0 H ILE A 63 -1.726 -6.112 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.484 -6.766 0.365 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.078 -7.782 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.281 -5.409 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.011 -5.789 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.696 -7.937 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.245 -8.907 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.088 -7.327 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.455 -3.871 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.866 -5.260 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.124 -4.874 0.145 1.00 0.00 H new