USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 719 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 86 GLN : amide:sc= 0.211 K(o=0.73,f=-5) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -144:sc= 0.517 (180deg=0) USER MOD Set 2.1: A 32 ASN : amide:sc= -5.8! C(o=-6.9!,f=-13!) USER MOD Set 2.2: A 41 GLN : amide:sc= -1.9 K(o=-6.9,f=-8.2!) USER MOD Set 2.3: A 64 THR OG1 : rot 133:sc= 0.818 USER MOD Single : A 2 SER OG : rot 180:sc= 0.00287 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.13 (180deg=-0.552) USER MOD Single : A 30 GLN : amide:sc= -1.32 K(o=-1.3,f=-4.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= -0.13 (180deg=-0.741) USER MOD Single : A 53 GLN : amide:sc= -2.04 K(o=-2,f=-3.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 162:sc=-0.00088 (180deg=-0.355) USER MOD Single : A 74 SER OG : rot 77:sc= -0.438 USER MOD Single : A 76 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.253) USER MOD Single : A 77 THR OG1 : rot 74:sc= 0.794 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 1.576 2.406 -0.960 1.00 0.00 N ATOM 19 CA SER A 2 2.488 3.542 -0.901 1.00 0.00 C ATOM 20 C SER A 2 1.897 4.671 -0.062 1.00 0.00 C ATOM 21 O SER A 2 0.780 5.125 -0.311 1.00 0.00 O ATOM 22 CB SER A 2 2.797 4.048 -2.312 1.00 0.00 C ATOM 23 OG SER A 2 3.261 5.387 -2.283 1.00 0.00 O ATOM 0 HA SER A 2 3.413 3.210 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.549 3.409 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.901 3.983 -2.929 1.00 0.00 H new ATOM 0 HG SER A 2 3.453 5.687 -3.196 1.00 0.00 H new ATOM 29 N VAL A 3 2.655 5.120 0.933 1.00 0.00 N ATOM 30 CA VAL A 3 2.209 6.196 1.809 1.00 0.00 C ATOM 31 C VAL A 3 1.715 7.392 1.003 1.00 0.00 C ATOM 32 O VAL A 3 0.825 8.122 1.439 1.00 0.00 O ATOM 33 CB VAL A 3 3.336 6.657 2.752 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.901 7.878 3.547 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.750 5.525 3.680 1.00 0.00 C ATOM 0 H VAL A 3 3.582 4.755 1.152 1.00 0.00 H new ATOM 0 HA VAL A 3 1.387 5.798 2.405 1.00 0.00 H new ATOM 0 HB VAL A 3 4.200 6.936 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.710 8.189 4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.659 8.691 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.022 7.631 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.547 5.868 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.894 5.213 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.106 4.682 3.089 1.00 0.00 H new ATOM 45 N GLU A 4 2.298 7.585 -0.176 1.00 0.00 N ATOM 46 CA GLU A 4 1.917 8.694 -1.044 1.00 0.00 C ATOM 47 C GLU A 4 0.468 8.552 -1.502 1.00 0.00 C ATOM 48 O GLU A 4 -0.281 9.528 -1.544 1.00 0.00 O ATOM 49 CB GLU A 4 2.844 8.761 -2.259 1.00 0.00 C ATOM 50 CG GLU A 4 3.518 10.111 -2.436 1.00 0.00 C ATOM 51 CD GLU A 4 4.646 10.334 -1.448 1.00 0.00 C ATOM 52 OE1 GLU A 4 4.521 11.242 -0.600 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.654 9.600 -1.523 1.00 0.00 O ATOM 0 H GLU A 4 3.035 6.989 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 4 2.011 9.618 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.610 7.991 -2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.270 8.530 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.908 10.188 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.776 10.901 -2.319 1.00 0.00 H new ATOM 60 N THR A 5 0.080 7.328 -1.848 1.00 0.00 N ATOM 61 CA THR A 5 -1.277 7.057 -2.305 1.00 0.00 C ATOM 62 C THR A 5 -2.293 7.318 -1.198 1.00 0.00 C ATOM 63 O THR A 5 -3.495 7.401 -1.453 1.00 0.00 O ATOM 64 CB THR A 5 -1.427 5.604 -2.791 1.00 0.00 C ATOM 65 OG1 THR A 5 -0.171 5.118 -3.277 1.00 0.00 O ATOM 66 CG2 THR A 5 -2.474 5.506 -3.890 1.00 0.00 C ATOM 0 H THR A 5 0.687 6.509 -1.820 1.00 0.00 H new ATOM 0 HA THR A 5 -1.470 7.733 -3.138 1.00 0.00 H new ATOM 0 HB THR A 5 -1.751 4.994 -1.948 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.274 4.193 -3.583 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.562 4.470 -4.217 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.436 5.849 -3.508 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.176 6.129 -4.733 1.00 0.00 H new ATOM 74 N ILE A 6 -1.802 7.447 0.030 1.00 0.00 N ATOM 75 CA ILE A 6 -2.668 7.700 1.175 1.00 0.00 C ATOM 76 C ILE A 6 -2.991 9.185 1.303 1.00 0.00 C ATOM 77 O ILE A 6 -4.158 9.575 1.341 1.00 0.00 O ATOM 78 CB ILE A 6 -2.024 7.212 2.486 1.00 0.00 C ATOM 79 CG1 ILE A 6 -1.205 5.943 2.237 1.00 0.00 C ATOM 80 CG2 ILE A 6 -3.093 6.960 3.539 1.00 0.00 C ATOM 81 CD1 ILE A 6 -1.998 4.831 1.587 1.00 0.00 C ATOM 0 H ILE A 6 -0.810 7.381 0.257 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.589 7.144 1.003 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.353 7.988 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.353 6.189 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.805 5.586 3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.623 6.616 4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.637 7.884 3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.786 6.199 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.355 3.963 1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.835 4.558 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.376 5.170 0.622 1.00 0.00 H new ATOM 93 N ILE A 7 -1.949 10.008 1.367 1.00 0.00 N ATOM 94 CA ILE A 7 -2.122 11.450 1.487 1.00 0.00 C ATOM 95 C ILE A 7 -2.768 12.032 0.234 1.00 0.00 C ATOM 96 O ILE A 7 -3.606 12.930 0.316 1.00 0.00 O ATOM 97 CB ILE A 7 -0.778 12.159 1.735 1.00 0.00 C ATOM 98 CG1 ILE A 7 -0.207 11.754 3.095 1.00 0.00 C ATOM 99 CG2 ILE A 7 -0.953 13.669 1.656 1.00 0.00 C ATOM 100 CD1 ILE A 7 -1.102 12.118 4.259 1.00 0.00 C ATOM 0 H ILE A 7 -0.977 9.700 1.338 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.776 11.620 2.342 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.074 11.854 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.035 10.678 3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.763 12.232 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.006 14.156 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.321 13.941 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.669 13.992 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.634 11.801 5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.254 13.197 4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.064 11.618 4.148 1.00 0.00 H new ATOM 112 N GLU A 8 -2.373 11.514 -0.925 1.00 0.00 N ATOM 113 CA GLU A 8 -2.915 11.982 -2.195 1.00 0.00 C ATOM 114 C GLU A 8 -4.438 12.055 -2.143 1.00 0.00 C ATOM 115 O GLU A 8 -5.048 12.948 -2.731 1.00 0.00 O ATOM 116 CB GLU A 8 -2.476 11.059 -3.333 1.00 0.00 C ATOM 117 CG GLU A 8 -1.247 11.553 -4.078 1.00 0.00 C ATOM 118 CD GLU A 8 -1.432 11.538 -5.583 1.00 0.00 C ATOM 119 OE1 GLU A 8 -1.198 10.476 -6.198 1.00 0.00 O ATOM 120 OE2 GLU A 8 -1.810 12.586 -6.146 1.00 0.00 O ATOM 0 H GLU A 8 -1.680 10.770 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.527 12.984 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.271 10.068 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.299 10.950 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.014 12.567 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.392 10.930 -3.815 1.00 0.00 H new ATOM 127 N ARG A 9 -5.046 11.109 -1.435 1.00 0.00 N ATOM 128 CA ARG A 9 -6.498 11.064 -1.308 1.00 0.00 C ATOM 129 C ARG A 9 -6.996 12.167 -0.378 1.00 0.00 C ATOM 130 O ARG A 9 -8.040 12.773 -0.622 1.00 0.00 O ATOM 131 CB ARG A 9 -6.943 9.699 -0.781 1.00 0.00 C ATOM 132 CG ARG A 9 -7.962 9.005 -1.670 1.00 0.00 C ATOM 133 CD ARG A 9 -7.856 7.492 -1.564 1.00 0.00 C ATOM 134 NE ARG A 9 -9.110 6.885 -1.126 1.00 0.00 N ATOM 135 CZ ARG A 9 -10.131 6.640 -1.938 1.00 0.00 C ATOM 136 NH1 ARG A 9 -10.048 6.948 -3.225 1.00 0.00 N ATOM 137 NH2 ARG A 9 -11.239 6.085 -1.464 1.00 0.00 N ATOM 0 H ARG A 9 -4.556 10.363 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.930 11.222 -2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.068 9.057 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.368 9.825 0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.967 9.321 -1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.810 9.310 -2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.572 7.080 -2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.063 7.232 -0.863 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.207 6.636 -0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.198 7.374 -3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.834 6.758 -3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.307 5.846 -0.475 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.023 5.897 -2.089 1.00 0.00 H new ATOM 151 N ILE A 10 -6.244 12.420 0.687 1.00 0.00 N ATOM 152 CA ILE A 10 -6.609 13.450 1.653 1.00 0.00 C ATOM 153 C ILE A 10 -6.572 14.836 1.018 1.00 0.00 C ATOM 154 O ILE A 10 -7.534 15.599 1.109 1.00 0.00 O ATOM 155 CB ILE A 10 -5.673 13.432 2.876 1.00 0.00 C ATOM 156 CG1 ILE A 10 -5.864 12.140 3.673 1.00 0.00 C ATOM 157 CG2 ILE A 10 -5.929 14.646 3.756 1.00 0.00 C ATOM 158 CD1 ILE A 10 -4.788 11.906 4.710 1.00 0.00 C ATOM 0 H ILE A 10 -5.378 11.926 0.904 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.625 13.230 1.981 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.641 13.472 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.835 12.168 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.882 11.296 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.260 14.619 4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.747 15.555 3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.963 14.634 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.987 10.973 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.817 11.846 4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.784 12.731 5.423 1.00 0.00 H new ATOM 170 N LYS A 11 -5.455 15.156 0.374 1.00 0.00 N ATOM 171 CA LYS A 11 -5.292 16.449 -0.280 1.00 0.00 C ATOM 172 C LYS A 11 -6.264 16.596 -1.446 1.00 0.00 C ATOM 173 O LYS A 11 -6.844 17.661 -1.652 1.00 0.00 O ATOM 174 CB LYS A 11 -3.854 16.615 -0.777 1.00 0.00 C ATOM 175 CG LYS A 11 -2.810 16.108 0.203 1.00 0.00 C ATOM 176 CD LYS A 11 -1.409 16.534 -0.205 1.00 0.00 C ATOM 177 CE LYS A 11 -1.278 18.048 -0.252 1.00 0.00 C ATOM 178 NZ LYS A 11 -1.342 18.567 -1.647 1.00 0.00 N ATOM 0 H LYS A 11 -4.648 14.537 0.291 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.509 17.227 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.741 16.084 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.668 17.670 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.031 16.488 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.859 15.021 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.684 16.127 0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.171 16.117 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.073 18.500 0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.333 18.345 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.766 19.517 -1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.382 18.617 -2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.923 17.930 -2.228 1.00 0.00 H new ATOM 192 N ALA A 12 -6.437 15.519 -2.205 1.00 0.00 N ATOM 193 CA ALA A 12 -7.342 15.527 -3.348 1.00 0.00 C ATOM 194 C ALA A 12 -8.790 15.697 -2.901 1.00 0.00 C ATOM 195 O ALA A 12 -9.607 16.274 -3.619 1.00 0.00 O ATOM 196 CB ALA A 12 -7.183 14.248 -4.156 1.00 0.00 C ATOM 0 H ALA A 12 -5.962 14.630 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.083 16.377 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.865 14.268 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.157 14.170 -4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.413 13.389 -3.526 1.00 0.00 H new ATOM 202 N ARG A 13 -9.100 15.192 -1.712 1.00 0.00 N ATOM 203 CA ARG A 13 -10.451 15.286 -1.171 1.00 0.00 C ATOM 204 C ARG A 13 -10.692 16.658 -0.547 1.00 0.00 C ATOM 205 O ARG A 13 -11.649 17.350 -0.893 1.00 0.00 O ATOM 206 CB ARG A 13 -10.683 14.191 -0.128 1.00 0.00 C ATOM 207 CG ARG A 13 -10.909 12.814 -0.731 1.00 0.00 C ATOM 208 CD ARG A 13 -12.366 12.606 -1.113 1.00 0.00 C ATOM 209 NE ARG A 13 -13.256 12.719 0.039 1.00 0.00 N ATOM 210 CZ ARG A 13 -14.562 12.939 -0.059 1.00 0.00 C ATOM 211 NH1 ARG A 13 -15.128 13.069 -1.251 1.00 0.00 N ATOM 212 NH2 ARG A 13 -15.306 13.029 1.036 1.00 0.00 N ATOM 0 H ARG A 13 -8.435 14.714 -1.105 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.155 15.151 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.823 14.149 0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.547 14.458 0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.280 12.694 -1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.606 12.048 -0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.652 13.341 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.485 11.622 -1.567 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.852 12.624 0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.560 13.000 -2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.131 13.238 -1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.875 12.929 1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.309 13.198 0.959 1.00 0.00 H new ATOM 226 N VAL A 14 -9.816 17.044 0.376 1.00 0.00 N ATOM 227 CA VAL A 14 -9.933 18.332 1.049 1.00 0.00 C ATOM 228 C VAL A 14 -10.193 19.453 0.049 1.00 0.00 C ATOM 229 O VAL A 14 -11.064 20.296 0.258 1.00 0.00 O ATOM 230 CB VAL A 14 -8.662 18.662 1.854 1.00 0.00 C ATOM 231 CG1 VAL A 14 -8.579 17.794 3.101 1.00 0.00 C ATOM 232 CG2 VAL A 14 -7.423 18.486 0.989 1.00 0.00 C ATOM 0 H VAL A 14 -9.018 16.483 0.674 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.778 18.256 1.733 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.713 19.704 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.675 18.041 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.452 17.975 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.551 16.743 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.534 18.723 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.365 17.454 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.481 19.154 0.130 1.00 0.00 H new ATOM 242 N GLY A 15 -9.430 19.455 -1.041 1.00 0.00 N ATOM 243 CA GLY A 15 -9.594 20.477 -2.058 1.00 0.00 C ATOM 244 C GLY A 15 -11.032 20.614 -2.516 1.00 0.00 C ATOM 245 O GLY A 15 -11.459 21.692 -2.930 1.00 0.00 O ATOM 0 H GLY A 15 -8.702 18.768 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.248 21.434 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.964 20.237 -2.915 1.00 0.00 H new ATOM 249 N ALA A 16 -11.782 19.519 -2.444 1.00 0.00 N ATOM 250 CA ALA A 16 -13.180 19.522 -2.855 1.00 0.00 C ATOM 251 C ALA A 16 -14.107 19.596 -1.646 1.00 0.00 C ATOM 252 O ALA A 16 -15.194 20.170 -1.718 1.00 0.00 O ATOM 253 CB ALA A 16 -13.490 18.285 -3.684 1.00 0.00 C ATOM 0 H ALA A 16 -11.444 18.618 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.351 20.408 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.538 18.301 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.859 18.275 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.296 17.391 -3.091 1.00 0.00 H new ATOM 398 N LEU A 26 -12.799 22.197 14.047 1.00 0.00 N ATOM 399 CA LEU A 26 -11.744 22.964 13.393 1.00 0.00 C ATOM 400 C LEU A 26 -10.456 22.926 14.209 1.00 0.00 C ATOM 401 O LEU A 26 -10.433 23.330 15.371 1.00 0.00 O ATOM 402 CB LEU A 26 -12.190 24.413 13.190 1.00 0.00 C ATOM 403 CG LEU A 26 -12.150 25.307 14.430 1.00 0.00 C ATOM 404 CD1 LEU A 26 -12.591 26.720 14.084 1.00 0.00 C ATOM 405 CD2 LEU A 26 -13.026 24.728 15.533 1.00 0.00 C ATOM 0 HA LEU A 26 -11.550 22.511 12.421 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.560 24.862 12.422 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.209 24.408 12.803 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.123 25.348 14.792 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.556 27.341 14.979 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.924 27.134 13.328 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -13.610 26.699 13.697 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.986 25.377 16.408 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.055 24.657 15.181 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.665 23.735 15.801 1.00 0.00 H new ATOM 417 N GLY A 27 -9.384 22.438 13.592 1.00 0.00 N ATOM 418 CA GLY A 27 -8.107 22.358 14.276 1.00 0.00 C ATOM 419 C GLY A 27 -7.052 21.645 13.453 1.00 0.00 C ATOM 420 O GLY A 27 -6.927 21.882 12.251 1.00 0.00 O ATOM 0 H GLY A 27 -9.377 22.097 12.631 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.761 23.364 14.512 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.238 21.836 15.224 1.00 0.00 H new ATOM 424 N VAL A 28 -6.290 20.770 14.101 1.00 0.00 N ATOM 425 CA VAL A 28 -5.239 20.020 13.421 1.00 0.00 C ATOM 426 C VAL A 28 -5.107 18.615 13.996 1.00 0.00 C ATOM 427 O VAL A 28 -5.371 18.388 15.177 1.00 0.00 O ATOM 428 CB VAL A 28 -3.880 20.737 13.528 1.00 0.00 C ATOM 429 CG1 VAL A 28 -2.910 20.198 12.488 1.00 0.00 C ATOM 430 CG2 VAL A 28 -4.057 22.240 13.376 1.00 0.00 C ATOM 0 H VAL A 28 -6.380 20.563 15.096 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.525 19.954 12.371 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.462 20.542 14.516 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.955 20.716 12.578 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.760 19.130 12.649 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.318 20.361 11.491 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.087 22.730 13.454 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.496 22.458 12.403 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.715 22.610 14.162 1.00 0.00 H new ATOM 440 N PHE A 29 -4.697 17.673 13.153 1.00 0.00 N ATOM 441 CA PHE A 29 -4.530 16.288 13.577 1.00 0.00 C ATOM 442 C PHE A 29 -3.144 15.769 13.208 1.00 0.00 C ATOM 443 O PHE A 29 -2.499 16.288 12.297 1.00 0.00 O ATOM 444 CB PHE A 29 -5.604 15.404 12.940 1.00 0.00 C ATOM 445 CG PHE A 29 -6.781 15.148 13.838 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.455 16.201 14.435 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.213 13.855 14.085 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.538 15.970 15.261 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.296 13.618 14.910 1.00 0.00 C ATOM 450 CZ PHE A 29 -8.959 14.676 15.500 1.00 0.00 C ATOM 0 H PHE A 29 -4.474 17.844 12.172 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.635 16.252 14.661 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.954 15.876 12.022 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.158 14.450 12.658 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.130 17.215 14.252 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.698 13.023 13.628 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.055 16.800 15.719 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.624 12.605 15.093 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.804 14.492 16.147 1.00 0.00 H new ATOM 460 N GLN A 30 -2.692 14.743 13.921 1.00 0.00 N ATOM 461 CA GLN A 30 -1.382 14.155 13.669 1.00 0.00 C ATOM 462 C GLN A 30 -1.497 12.654 13.422 1.00 0.00 C ATOM 463 O GLN A 30 -1.732 11.878 14.349 1.00 0.00 O ATOM 464 CB GLN A 30 -0.445 14.419 14.850 1.00 0.00 C ATOM 465 CG GLN A 30 1.017 14.141 14.540 1.00 0.00 C ATOM 466 CD GLN A 30 1.458 14.743 13.220 1.00 0.00 C ATOM 467 OE1 GLN A 30 0.983 15.807 12.820 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.372 14.065 12.536 1.00 0.00 N ATOM 0 H GLN A 30 -3.214 14.301 14.678 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.969 14.621 12.775 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.551 15.458 15.162 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.753 13.800 15.693 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.637 14.541 15.342 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.181 13.064 14.517 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.738 13.187 12.905 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.708 14.422 11.641 1.00 0.00 H new ATOM 477 N LEU A 31 -1.331 12.252 12.167 1.00 0.00 N ATOM 478 CA LEU A 31 -1.416 10.844 11.797 1.00 0.00 C ATOM 479 C LEU A 31 -0.036 10.280 11.477 1.00 0.00 C ATOM 480 O LEU A 31 0.780 10.937 10.833 1.00 0.00 O ATOM 481 CB LEU A 31 -2.343 10.668 10.592 1.00 0.00 C ATOM 482 CG LEU A 31 -1.771 11.090 9.239 1.00 0.00 C ATOM 483 CD1 LEU A 31 -1.128 9.904 8.537 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.859 11.702 8.368 1.00 0.00 C ATOM 0 H LEU A 31 -1.137 12.881 11.388 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.824 10.295 12.646 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.631 9.619 10.531 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.254 11.239 10.773 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.003 11.844 9.410 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.727 10.224 7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.321 9.510 9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.875 9.127 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.434 11.997 7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.650 10.970 8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.274 12.579 8.866 1.00 0.00 H new ATOM 496 N ASN A 32 0.217 9.056 11.931 1.00 0.00 N ATOM 497 CA ASN A 32 1.499 8.403 11.692 1.00 0.00 C ATOM 498 C ASN A 32 1.300 7.041 11.034 1.00 0.00 C ATOM 499 O ASN A 32 0.495 6.230 11.492 1.00 0.00 O ATOM 500 CB ASN A 32 2.265 8.239 13.006 1.00 0.00 C ATOM 501 CG ASN A 32 1.452 8.682 14.208 1.00 0.00 C ATOM 502 OD1 ASN A 32 0.530 7.989 14.637 1.00 0.00 O ATOM 503 ND2 ASN A 32 1.792 9.843 14.756 1.00 0.00 N ATOM 0 H ASN A 32 -0.448 8.497 12.466 1.00 0.00 H new ATOM 0 HA ASN A 32 2.079 9.033 11.017 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.551 7.194 13.129 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.187 8.818 12.961 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.281 10.193 15.566 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.564 10.384 14.366 1.00 0.00 H new ATOM 510 N ILE A 33 2.040 6.797 9.957 1.00 0.00 N ATOM 511 CA ILE A 33 1.947 5.533 9.237 1.00 0.00 C ATOM 512 C ILE A 33 2.934 4.511 9.790 1.00 0.00 C ATOM 513 O ILE A 33 4.117 4.527 9.451 1.00 0.00 O ATOM 514 CB ILE A 33 2.210 5.722 7.731 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.653 7.066 7.259 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.593 4.579 6.938 1.00 0.00 C ATOM 517 CD1 ILE A 33 0.162 7.210 7.467 1.00 0.00 C ATOM 0 H ILE A 33 2.710 7.458 9.564 1.00 0.00 H new ATOM 0 HA ILE A 33 0.931 5.165 9.376 1.00 0.00 H new ATOM 0 HB ILE A 33 3.287 5.716 7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.165 7.869 7.790 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.877 7.191 6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.787 4.727 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.032 3.635 7.259 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.517 4.556 7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.163 8.187 7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.360 6.429 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.068 7.117 8.528 1.00 0.00 H new ATOM 529 N LYS A 34 2.440 3.620 10.643 1.00 0.00 N ATOM 530 CA LYS A 34 3.276 2.587 11.242 1.00 0.00 C ATOM 531 C LYS A 34 3.681 1.545 10.204 1.00 0.00 C ATOM 532 O LYS A 34 2.905 0.647 9.874 1.00 0.00 O ATOM 533 CB LYS A 34 2.537 1.909 12.398 1.00 0.00 C ATOM 534 CG LYS A 34 3.178 2.150 13.754 1.00 0.00 C ATOM 535 CD LYS A 34 2.277 1.688 14.886 1.00 0.00 C ATOM 536 CE LYS A 34 2.744 0.361 15.464 1.00 0.00 C ATOM 537 NZ LYS A 34 1.877 -0.092 16.587 1.00 0.00 N ATOM 0 H LYS A 34 1.463 3.593 10.935 1.00 0.00 H new ATOM 0 HA LYS A 34 4.178 3.063 11.625 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.509 2.270 12.422 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.494 0.836 12.211 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.130 1.622 13.807 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.396 3.212 13.871 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.262 2.443 15.672 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.255 1.588 14.521 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.747 -0.396 14.679 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.771 0.460 15.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.229 -1.000 16.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.894 0.618 17.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.902 -0.211 16.246 1.00 0.00 H new ATOM 551 N THR A 35 4.902 1.669 9.692 1.00 0.00 N ATOM 552 CA THR A 35 5.410 0.739 8.692 1.00 0.00 C ATOM 553 C THR A 35 6.627 -0.017 9.212 1.00 0.00 C ATOM 554 O THR A 35 7.265 0.404 10.177 1.00 0.00 O ATOM 555 CB THR A 35 5.790 1.467 7.389 1.00 0.00 C ATOM 556 OG1 THR A 35 6.423 0.554 6.485 1.00 0.00 O ATOM 557 CG2 THR A 35 6.721 2.635 7.673 1.00 0.00 C ATOM 0 H THR A 35 5.557 2.405 9.954 1.00 0.00 H new ATOM 0 HA THR A 35 4.608 0.031 8.483 1.00 0.00 H new ATOM 0 HB THR A 35 4.877 1.853 6.935 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.660 1.024 5.658 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.975 3.133 6.738 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.225 3.342 8.338 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.631 2.268 8.148 1.00 0.00 H new ATOM 565 N ALA A 36 6.945 -1.134 8.566 1.00 0.00 N ATOM 566 CA ALA A 36 8.088 -1.947 8.962 1.00 0.00 C ATOM 567 C ALA A 36 9.382 -1.143 8.898 1.00 0.00 C ATOM 568 O ALA A 36 10.348 -1.445 9.599 1.00 0.00 O ATOM 569 CB ALA A 36 8.188 -3.183 8.081 1.00 0.00 C ATOM 0 H ALA A 36 6.427 -1.497 7.766 1.00 0.00 H new ATOM 0 HA ALA A 36 7.937 -2.262 9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.046 -3.781 8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.279 -3.776 8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.311 -2.880 7.041 1.00 0.00 H new ATOM 575 N SER A 37 9.395 -0.118 8.051 1.00 0.00 N ATOM 576 CA SER A 37 10.573 0.727 7.891 1.00 0.00 C ATOM 577 C SER A 37 10.641 1.778 8.995 1.00 0.00 C ATOM 578 O SER A 37 11.702 2.334 9.274 1.00 0.00 O ATOM 579 CB SER A 37 10.555 1.409 6.522 1.00 0.00 C ATOM 580 OG SER A 37 11.865 1.764 6.112 1.00 0.00 O ATOM 0 H SER A 37 8.603 0.147 7.465 1.00 0.00 H new ATOM 0 HA SER A 37 11.457 0.093 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.108 0.741 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.930 2.301 6.565 1.00 0.00 H new ATOM 0 HG SER A 37 11.827 2.197 5.234 1.00 0.00 H new ATOM 586 N GLY A 38 9.498 2.047 9.619 1.00 0.00 N ATOM 587 CA GLY A 38 9.448 3.030 10.685 1.00 0.00 C ATOM 588 C GLY A 38 8.060 3.611 10.874 1.00 0.00 C ATOM 589 O GLY A 38 7.078 2.874 10.962 1.00 0.00 O ATOM 0 H GLY A 38 8.606 1.601 9.405 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.775 2.568 11.617 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.149 3.835 10.465 1.00 0.00 H new ATOM 593 N VAL A 39 7.978 4.936 10.938 1.00 0.00 N ATOM 594 CA VAL A 39 6.701 5.615 11.119 1.00 0.00 C ATOM 595 C VAL A 39 6.680 6.951 10.384 1.00 0.00 C ATOM 596 O VAL A 39 7.424 7.869 10.725 1.00 0.00 O ATOM 597 CB VAL A 39 6.400 5.857 12.610 1.00 0.00 C ATOM 598 CG1 VAL A 39 5.313 6.908 12.771 1.00 0.00 C ATOM 599 CG2 VAL A 39 6.001 4.556 13.290 1.00 0.00 C ATOM 0 H VAL A 39 8.781 5.561 10.867 1.00 0.00 H new ATOM 0 HA VAL A 39 5.934 4.962 10.703 1.00 0.00 H new ATOM 0 HB VAL A 39 7.305 6.229 13.091 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.114 7.066 13.831 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.643 7.844 12.320 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.403 6.568 12.277 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.792 4.745 14.343 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.109 4.153 12.810 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.815 3.837 13.205 1.00 0.00 H new ATOM 609 N GLU A 40 5.821 7.051 9.374 1.00 0.00 N ATOM 610 CA GLU A 40 5.704 8.275 8.591 1.00 0.00 C ATOM 611 C GLU A 40 4.703 9.235 9.228 1.00 0.00 C ATOM 612 O GLU A 40 3.500 8.973 9.244 1.00 0.00 O ATOM 613 CB GLU A 40 5.275 7.951 7.158 1.00 0.00 C ATOM 614 CG GLU A 40 6.440 7.699 6.217 1.00 0.00 C ATOM 615 CD GLU A 40 6.110 8.037 4.776 1.00 0.00 C ATOM 616 OE1 GLU A 40 5.702 9.188 4.516 1.00 0.00 O ATOM 617 OE2 GLU A 40 6.259 7.151 3.909 1.00 0.00 O ATOM 0 H GLU A 40 5.197 6.300 9.079 1.00 0.00 H new ATOM 0 HA GLU A 40 6.681 8.757 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.632 7.071 7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.678 8.777 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.296 8.292 6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.735 6.652 6.282 1.00 0.00 H new ATOM 624 N GLN A 41 5.209 10.346 9.753 1.00 0.00 N ATOM 625 CA GLN A 41 4.360 11.344 10.393 1.00 0.00 C ATOM 626 C GLN A 41 3.786 12.311 9.363 1.00 0.00 C ATOM 627 O GLN A 41 4.477 12.722 8.431 1.00 0.00 O ATOM 628 CB GLN A 41 5.152 12.116 11.450 1.00 0.00 C ATOM 629 CG GLN A 41 5.944 11.222 12.390 1.00 0.00 C ATOM 630 CD GLN A 41 5.478 11.330 13.829 1.00 0.00 C ATOM 631 OE1 GLN A 41 5.649 12.366 14.472 1.00 0.00 O ATOM 632 NE2 GLN A 41 4.886 10.258 14.342 1.00 0.00 N ATOM 0 H GLN A 41 6.202 10.578 9.748 1.00 0.00 H new ATOM 0 HA GLN A 41 3.533 10.825 10.877 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.837 12.801 10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.463 12.725 12.035 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.856 10.187 12.060 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.000 11.486 12.333 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.765 9.420 13.772 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.552 10.272 15.306 1.00 0.00 H new ATOM 641 N TRP A 42 2.520 12.671 9.539 1.00 0.00 N ATOM 642 CA TRP A 42 1.853 13.590 8.623 1.00 0.00 C ATOM 643 C TRP A 42 0.991 14.589 9.388 1.00 0.00 C ATOM 644 O TRP A 42 0.428 14.264 10.433 1.00 0.00 O ATOM 645 CB TRP A 42 0.992 12.814 7.626 1.00 0.00 C ATOM 646 CG TRP A 42 1.774 12.252 6.477 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.222 10.969 6.340 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.202 12.956 5.306 1.00 0.00 C ATOM 649 NE1 TRP A 42 2.903 10.833 5.154 1.00 0.00 N ATOM 650 CE2 TRP A 42 2.904 12.037 4.501 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.059 14.272 4.858 1.00 0.00 C ATOM 652 CZ2 TRP A 42 3.460 12.395 3.276 1.00 0.00 C ATOM 653 CZ3 TRP A 42 2.612 14.625 3.642 1.00 0.00 C ATOM 654 CH2 TRP A 42 3.305 13.690 2.862 1.00 0.00 C ATOM 0 H TRP A 42 1.935 12.341 10.307 1.00 0.00 H new ATOM 0 HA TRP A 42 2.619 14.141 8.078 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.490 11.999 8.148 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.214 13.472 7.239 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.064 10.178 7.058 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.337 9.975 4.815 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.526 15.000 5.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.995 11.676 2.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.508 15.640 3.287 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.725 13.997 1.916 1.00 0.00 H new ATOM 665 N ILE A 43 0.894 15.805 8.860 1.00 0.00 N ATOM 666 CA ILE A 43 0.099 16.850 9.493 1.00 0.00 C ATOM 667 C ILE A 43 -1.116 17.207 8.644 1.00 0.00 C ATOM 668 O ILE A 43 -1.022 17.320 7.422 1.00 0.00 O ATOM 669 CB ILE A 43 0.933 18.122 9.735 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.146 17.803 10.611 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.077 19.202 10.379 1.00 0.00 C ATOM 672 CD1 ILE A 43 3.404 18.530 10.189 1.00 0.00 C ATOM 0 H ILE A 43 1.356 16.090 7.996 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.235 16.455 10.453 1.00 0.00 H new ATOM 0 HB ILE A 43 1.290 18.494 8.774 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.916 18.062 11.644 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.331 16.729 10.585 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.681 20.095 10.544 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.758 19.445 9.722 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.306 18.842 11.334 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.223 18.256 10.854 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.659 18.253 9.166 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.238 19.606 10.242 1.00 0.00 H new ATOM 684 N VAL A 44 -2.258 17.385 9.300 1.00 0.00 N ATOM 685 CA VAL A 44 -3.493 17.732 8.607 1.00 0.00 C ATOM 686 C VAL A 44 -4.301 18.752 9.401 1.00 0.00 C ATOM 687 O VAL A 44 -4.423 18.649 10.621 1.00 0.00 O ATOM 688 CB VAL A 44 -4.364 16.487 8.355 1.00 0.00 C ATOM 689 CG1 VAL A 44 -5.169 16.138 9.597 1.00 0.00 C ATOM 690 CG2 VAL A 44 -5.281 16.712 7.162 1.00 0.00 C ATOM 0 H VAL A 44 -2.354 17.295 10.311 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.207 18.166 7.649 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.709 15.646 8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.778 15.256 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.490 15.933 10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.816 16.975 9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.889 15.823 6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.931 17.565 7.358 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.681 16.910 6.274 1.00 0.00 H new ATOM 700 N ASP A 45 -4.852 19.737 8.700 1.00 0.00 N ATOM 701 CA ASP A 45 -5.650 20.777 9.338 1.00 0.00 C ATOM 702 C ASP A 45 -7.124 20.635 8.968 1.00 0.00 C ATOM 703 O ASP A 45 -7.461 20.349 7.818 1.00 0.00 O ATOM 704 CB ASP A 45 -5.141 22.161 8.935 1.00 0.00 C ATOM 705 CG ASP A 45 -5.441 23.216 9.981 1.00 0.00 C ATOM 706 OD1 ASP A 45 -6.636 23.484 10.229 1.00 0.00 O ATOM 707 OD2 ASP A 45 -4.481 23.774 10.553 1.00 0.00 O ATOM 0 H ASP A 45 -4.760 19.837 7.689 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.552 20.664 10.418 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.065 22.115 8.768 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.598 22.451 7.989 1.00 0.00 H new ATOM 712 N LEU A 46 -7.997 20.835 9.949 1.00 0.00 N ATOM 713 CA LEU A 46 -9.435 20.729 9.727 1.00 0.00 C ATOM 714 C LEU A 46 -10.017 22.066 9.281 1.00 0.00 C ATOM 715 O LEU A 46 -10.808 22.128 8.340 1.00 0.00 O ATOM 716 CB LEU A 46 -10.134 20.255 11.002 1.00 0.00 C ATOM 717 CG LEU A 46 -9.268 19.475 11.992 1.00 0.00 C ATOM 718 CD1 LEU A 46 -10.068 19.119 13.236 1.00 0.00 C ATOM 719 CD2 LEU A 46 -8.709 18.219 11.338 1.00 0.00 C ATOM 0 H LEU A 46 -7.734 21.071 10.906 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.603 19.999 8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.541 21.126 11.515 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.979 19.629 10.718 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.432 20.108 12.291 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.435 18.564 13.929 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.419 20.032 13.717 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.924 18.505 12.955 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.095 17.677 12.057 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.531 17.583 11.010 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.100 18.497 10.478 1.00 0.00 H new ATOM 731 N LYS A 47 -9.618 23.135 9.961 1.00 0.00 N ATOM 732 CA LYS A 47 -10.097 24.473 9.634 1.00 0.00 C ATOM 733 C LYS A 47 -10.083 24.702 8.126 1.00 0.00 C ATOM 734 O LYS A 47 -11.131 24.880 7.507 1.00 0.00 O ATOM 735 CB LYS A 47 -9.236 25.530 10.329 1.00 0.00 C ATOM 736 CG LYS A 47 -8.929 25.205 11.781 1.00 0.00 C ATOM 737 CD LYS A 47 -9.268 26.369 12.696 1.00 0.00 C ATOM 738 CE LYS A 47 -8.566 26.244 14.040 1.00 0.00 C ATOM 739 NZ LYS A 47 -8.428 27.563 14.718 1.00 0.00 N ATOM 0 H LYS A 47 -8.964 23.101 10.743 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.124 24.560 9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.299 25.639 9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.747 26.492 10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.495 24.325 12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.873 24.956 11.884 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.978 27.305 12.219 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.346 26.410 12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.126 25.563 14.681 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.579 25.805 13.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.945 27.436 15.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.872 28.205 14.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.371 27.971 14.880 1.00 0.00 H new ATOM 753 N GLN A 48 -8.889 24.695 7.542 1.00 0.00 N ATOM 754 CA GLN A 48 -8.740 24.901 6.106 1.00 0.00 C ATOM 755 C GLN A 48 -8.489 23.579 5.389 1.00 0.00 C ATOM 756 O GLN A 48 -8.661 22.505 5.967 1.00 0.00 O ATOM 757 CB GLN A 48 -7.592 25.873 5.826 1.00 0.00 C ATOM 758 CG GLN A 48 -7.642 27.134 6.672 1.00 0.00 C ATOM 759 CD GLN A 48 -6.571 28.137 6.290 1.00 0.00 C ATOM 760 OE1 GLN A 48 -5.981 28.052 5.213 1.00 0.00 O ATOM 761 NE2 GLN A 48 -6.314 29.094 7.173 1.00 0.00 N ATOM 0 H GLN A 48 -8.011 24.549 8.041 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.669 25.327 5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.645 25.364 6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.612 26.151 4.772 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.623 27.598 6.568 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.526 26.867 7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.827 29.127 8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.603 29.797 6.971 1.00 0.00 H new ATOM 770 N LEU A 49 -8.082 23.664 4.128 1.00 0.00 N ATOM 771 CA LEU A 49 -7.807 22.473 3.331 1.00 0.00 C ATOM 772 C LEU A 49 -6.338 22.416 2.925 1.00 0.00 C ATOM 773 O LEU A 49 -5.999 22.578 1.752 1.00 0.00 O ATOM 774 CB LEU A 49 -8.693 22.454 2.084 1.00 0.00 C ATOM 775 CG LEU A 49 -10.202 22.477 2.332 1.00 0.00 C ATOM 776 CD1 LEU A 49 -10.582 21.462 3.399 1.00 0.00 C ATOM 777 CD2 LEU A 49 -10.655 23.872 2.735 1.00 0.00 C ATOM 0 H LEU A 49 -7.935 24.545 3.635 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.030 21.598 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.434 23.313 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.454 21.561 1.506 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.708 22.207 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.659 21.492 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.293 20.464 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.067 21.702 4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.731 23.869 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.142 24.171 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.417 24.576 1.938 1.00 0.00 H new ATOM 789 N LYS A 50 -5.468 22.183 3.902 1.00 0.00 N ATOM 790 CA LYS A 50 -4.035 22.101 3.648 1.00 0.00 C ATOM 791 C LYS A 50 -3.457 20.804 4.205 1.00 0.00 C ATOM 792 O LYS A 50 -4.084 20.136 5.027 1.00 0.00 O ATOM 793 CB LYS A 50 -3.316 23.300 4.270 1.00 0.00 C ATOM 794 CG LYS A 50 -3.333 23.299 5.789 1.00 0.00 C ATOM 795 CD LYS A 50 -2.080 22.654 6.360 1.00 0.00 C ATOM 796 CE LYS A 50 -1.171 23.685 7.012 1.00 0.00 C ATOM 797 NZ LYS A 50 -1.861 24.416 8.111 1.00 0.00 N ATOM 0 H LYS A 50 -5.731 22.048 4.878 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.882 22.113 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.282 23.311 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.781 24.218 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.415 24.323 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.213 22.763 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.360 21.898 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.539 22.141 5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.284 23.189 7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.831 24.397 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.170 24.672 8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.299 25.280 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.596 23.808 8.525 1.00 0.00 H new ATOM 811 N VAL A 51 -2.257 20.453 3.753 1.00 0.00 N ATOM 812 CA VAL A 51 -1.594 19.237 4.208 1.00 0.00 C ATOM 813 C VAL A 51 -0.084 19.431 4.286 1.00 0.00 C ATOM 814 O VAL A 51 0.525 20.015 3.388 1.00 0.00 O ATOM 815 CB VAL A 51 -1.901 18.049 3.278 1.00 0.00 C ATOM 816 CG1 VAL A 51 -1.042 16.848 3.645 1.00 0.00 C ATOM 817 CG2 VAL A 51 -3.379 17.695 3.336 1.00 0.00 C ATOM 0 H VAL A 51 -1.724 20.994 3.072 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.981 19.019 5.203 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.660 18.339 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.273 16.018 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.011 17.111 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.248 16.554 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.578 16.853 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.648 17.424 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.971 18.554 3.020 1.00 0.00 H new ATOM 827 N ASP A 52 0.516 18.938 5.363 1.00 0.00 N ATOM 828 CA ASP A 52 1.957 19.055 5.558 1.00 0.00 C ATOM 829 C ASP A 52 2.552 17.730 6.024 1.00 0.00 C ATOM 830 O ASP A 52 1.849 16.885 6.578 1.00 0.00 O ATOM 831 CB ASP A 52 2.268 20.154 6.575 1.00 0.00 C ATOM 832 CG ASP A 52 1.185 21.214 6.631 1.00 0.00 C ATOM 833 OD1 ASP A 52 1.413 22.323 6.104 1.00 0.00 O ATOM 834 OD2 ASP A 52 0.110 20.934 7.201 1.00 0.00 O ATOM 0 H ASP A 52 0.027 18.453 6.115 1.00 0.00 H new ATOM 0 HA ASP A 52 2.408 19.318 4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.387 19.708 7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.218 20.623 6.320 1.00 0.00 H new ATOM 839 N GLN A 53 3.849 17.557 5.795 1.00 0.00 N ATOM 840 CA GLN A 53 4.537 16.333 6.191 1.00 0.00 C ATOM 841 C GLN A 53 5.371 16.560 7.448 1.00 0.00 C ATOM 842 O GLN A 53 6.047 17.578 7.582 1.00 0.00 O ATOM 843 CB GLN A 53 5.432 15.837 5.054 1.00 0.00 C ATOM 844 CG GLN A 53 5.592 14.325 5.022 1.00 0.00 C ATOM 845 CD GLN A 53 6.263 13.836 3.753 1.00 0.00 C ATOM 846 OE1 GLN A 53 6.376 14.573 2.773 1.00 0.00 O ATOM 847 NE2 GLN A 53 6.712 12.586 3.764 1.00 0.00 N ATOM 0 H GLN A 53 4.445 18.247 5.338 1.00 0.00 H new ATOM 0 HA GLN A 53 3.784 15.576 6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.016 16.170 4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.416 16.296 5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.178 14.007 5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.612 13.858 5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.597 12.010 4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.172 12.202 2.938 1.00 0.00 H new ATOM 856 N GLY A 54 5.316 15.602 8.369 1.00 0.00 N ATOM 857 CA GLY A 54 6.070 15.716 9.604 1.00 0.00 C ATOM 858 C GLY A 54 5.178 15.716 10.829 1.00 0.00 C ATOM 859 O GLY A 54 4.048 15.228 10.784 1.00 0.00 O ATOM 0 H GLY A 54 4.763 14.749 8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.776 14.889 9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.656 16.635 9.585 1.00 0.00 H new ATOM 863 N VAL A 55 5.685 16.264 11.929 1.00 0.00 N ATOM 864 CA VAL A 55 4.927 16.325 13.173 1.00 0.00 C ATOM 865 C VAL A 55 4.618 17.767 13.558 1.00 0.00 C ATOM 866 O VAL A 55 5.525 18.562 13.808 1.00 0.00 O ATOM 867 CB VAL A 55 5.689 15.648 14.328 1.00 0.00 C ATOM 868 CG1 VAL A 55 7.059 16.283 14.508 1.00 0.00 C ATOM 869 CG2 VAL A 55 4.882 15.727 15.615 1.00 0.00 C ATOM 0 H VAL A 55 6.618 16.672 11.984 1.00 0.00 H new ATOM 0 HA VAL A 55 3.993 15.790 13.001 1.00 0.00 H new ATOM 0 HB VAL A 55 5.833 14.596 14.080 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.583 15.792 15.328 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.636 16.170 13.590 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.942 17.343 14.735 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.434 15.244 16.421 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.706 16.772 15.871 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.926 15.222 15.477 1.00 0.00 H new ATOM 879 N PHE A 56 3.332 18.099 13.605 1.00 0.00 N ATOM 880 CA PHE A 56 2.903 19.446 13.959 1.00 0.00 C ATOM 881 C PHE A 56 3.522 19.884 15.283 1.00 0.00 C ATOM 882 O PHE A 56 3.754 19.066 16.173 1.00 0.00 O ATOM 883 CB PHE A 56 1.377 19.510 14.051 1.00 0.00 C ATOM 884 CG PHE A 56 0.822 20.893 13.860 1.00 0.00 C ATOM 885 CD1 PHE A 56 1.233 21.677 12.794 1.00 0.00 C ATOM 886 CD2 PHE A 56 -0.109 21.409 14.747 1.00 0.00 C ATOM 887 CE1 PHE A 56 0.724 22.950 12.614 1.00 0.00 C ATOM 888 CE2 PHE A 56 -0.621 22.681 14.572 1.00 0.00 C ATOM 889 CZ PHE A 56 -0.204 23.453 13.506 1.00 0.00 C ATOM 0 H PHE A 56 2.569 17.453 13.402 1.00 0.00 H new ATOM 0 HA PHE A 56 3.242 20.126 13.177 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.948 18.848 13.299 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.064 19.133 15.024 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.960 21.289 12.095 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.438 20.811 15.584 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.051 23.550 11.778 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.348 23.071 15.269 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.602 24.448 13.370 1.00 0.00 H new ATOM 899 N ALA A 57 3.789 21.180 15.405 1.00 0.00 N ATOM 900 CA ALA A 57 4.380 21.728 16.620 1.00 0.00 C ATOM 901 C ALA A 57 3.494 21.459 17.831 1.00 0.00 C ATOM 902 O ALA A 57 3.980 21.358 18.958 1.00 0.00 O ATOM 903 CB ALA A 57 4.622 23.222 16.462 1.00 0.00 C ATOM 0 H ALA A 57 3.605 21.870 14.677 1.00 0.00 H new ATOM 0 HA ALA A 57 5.336 21.232 16.785 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.063 23.618 17.377 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.301 23.394 15.627 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.675 23.726 16.269 1.00 0.00 H new ATOM 909 N SER A 58 2.191 21.344 17.592 1.00 0.00 N ATOM 910 CA SER A 58 1.236 21.091 18.664 1.00 0.00 C ATOM 911 C SER A 58 -0.129 20.712 18.098 1.00 0.00 C ATOM 912 O SER A 58 -1.070 21.505 18.095 1.00 0.00 O ATOM 913 CB SER A 58 1.105 22.324 19.560 1.00 0.00 C ATOM 914 OG SER A 58 0.587 21.977 20.833 1.00 0.00 O ATOM 0 H SER A 58 1.773 21.422 16.665 1.00 0.00 H new ATOM 0 HA SER A 58 1.607 20.256 19.258 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.080 22.797 19.677 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.451 23.055 19.085 1.00 0.00 H new ATOM 0 HG SER A 58 0.514 22.782 21.387 1.00 0.00 H new ATOM 920 N PRO A 59 -0.240 19.469 17.606 1.00 0.00 N ATOM 921 CA PRO A 59 -1.485 18.954 17.028 1.00 0.00 C ATOM 922 C PRO A 59 -2.567 18.740 18.081 1.00 0.00 C ATOM 923 O PRO A 59 -2.274 18.612 19.270 1.00 0.00 O ATOM 924 CB PRO A 59 -1.065 17.617 16.413 1.00 0.00 C ATOM 925 CG PRO A 59 0.132 17.200 17.196 1.00 0.00 C ATOM 926 CD PRO A 59 0.842 18.470 17.577 1.00 0.00 C ATOM 0 HA PRO A 59 -1.920 19.650 16.311 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.864 16.879 16.487 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.828 17.725 15.355 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.159 16.635 18.082 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.780 16.554 16.604 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.333 18.381 18.546 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.613 18.733 16.852 1.00 0.00 H new ATOM 934 N ASP A 60 -3.818 18.701 17.637 1.00 0.00 N ATOM 935 CA ASP A 60 -4.945 18.500 18.541 1.00 0.00 C ATOM 936 C ASP A 60 -5.033 17.043 18.984 1.00 0.00 C ATOM 937 O ASP A 60 -5.346 16.752 20.138 1.00 0.00 O ATOM 938 CB ASP A 60 -6.251 18.920 17.864 1.00 0.00 C ATOM 939 CG ASP A 60 -7.174 19.672 18.803 1.00 0.00 C ATOM 940 OD1 ASP A 60 -7.102 19.429 20.026 1.00 0.00 O ATOM 941 OD2 ASP A 60 -7.967 20.503 18.315 1.00 0.00 O ATOM 0 H ASP A 60 -4.078 18.806 16.656 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.786 19.120 19.423 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.025 19.548 17.002 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.763 18.034 17.488 1.00 0.00 H new ATOM 946 N VAL A 61 -4.756 16.131 18.058 1.00 0.00 N ATOM 947 CA VAL A 61 -4.803 14.704 18.353 1.00 0.00 C ATOM 948 C VAL A 61 -3.744 13.943 17.562 1.00 0.00 C ATOM 949 O VAL A 61 -3.350 14.358 16.472 1.00 0.00 O ATOM 950 CB VAL A 61 -6.189 14.111 18.035 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.295 12.688 18.562 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.289 14.987 18.617 1.00 0.00 C ATOM 0 H VAL A 61 -4.497 16.355 17.097 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.604 14.595 19.419 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.313 14.082 16.952 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.281 12.286 18.328 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.530 12.069 18.094 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.150 12.688 19.642 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.261 14.554 18.383 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.170 15.049 19.699 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.224 15.986 18.187 1.00 0.00 H new ATOM 962 N THR A 62 -3.287 12.826 18.119 1.00 0.00 N ATOM 963 CA THR A 62 -2.272 12.007 17.467 1.00 0.00 C ATOM 964 C THR A 62 -2.771 10.583 17.253 1.00 0.00 C ATOM 965 O THR A 62 -2.766 9.767 18.175 1.00 0.00 O ATOM 966 CB THR A 62 -0.970 11.966 18.289 1.00 0.00 C ATOM 967 OG1 THR A 62 -0.725 13.245 18.884 1.00 0.00 O ATOM 968 CG2 THR A 62 0.210 11.574 17.413 1.00 0.00 C ATOM 0 H THR A 62 -3.603 12.468 19.020 1.00 0.00 H new ATOM 0 HA THR A 62 -2.067 12.466 16.500 1.00 0.00 H new ATOM 0 HB THR A 62 -1.085 11.218 19.073 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.104 13.210 19.406 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.118 11.552 18.015 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.034 10.587 16.985 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.325 12.302 16.610 1.00 0.00 H new ATOM 976 N VAL A 63 -3.200 10.288 16.030 1.00 0.00 N ATOM 977 CA VAL A 63 -3.700 8.961 15.694 1.00 0.00 C ATOM 978 C VAL A 63 -2.627 8.129 14.999 1.00 0.00 C ATOM 979 O VAL A 63 -1.867 8.638 14.174 1.00 0.00 O ATOM 980 CB VAL A 63 -4.940 9.042 14.784 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.526 9.175 13.327 1.00 0.00 C ATOM 982 CG2 VAL A 63 -5.828 7.823 14.986 1.00 0.00 C ATOM 0 H VAL A 63 -3.211 10.951 15.255 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.978 8.481 16.632 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.512 9.929 15.056 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.416 9.231 12.700 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.934 10.081 13.198 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.931 8.309 13.037 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.700 7.896 14.336 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.268 6.920 14.742 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.154 7.778 16.025 1.00 0.00 H new ATOM 992 N THR A 64 -2.571 6.844 15.337 1.00 0.00 N ATOM 993 CA THR A 64 -1.591 5.941 14.746 1.00 0.00 C ATOM 994 C THR A 64 -2.272 4.758 14.069 1.00 0.00 C ATOM 995 O THR A 64 -3.171 4.137 14.638 1.00 0.00 O ATOM 996 CB THR A 64 -0.604 5.414 15.805 1.00 0.00 C ATOM 997 OG1 THR A 64 -0.509 6.342 16.891 1.00 0.00 O ATOM 998 CG2 THR A 64 0.774 5.193 15.197 1.00 0.00 C ATOM 0 H THR A 64 -3.193 6.406 16.017 1.00 0.00 H new ATOM 0 HA THR A 64 -1.041 6.515 14.000 1.00 0.00 H new ATOM 0 HB THR A 64 -0.978 4.460 16.176 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.577 5.859 17.741 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.454 4.821 15.963 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.703 4.464 14.390 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.153 6.136 14.802 1.00 0.00 H new ATOM 1006 N VAL A 65 -1.839 4.449 12.851 1.00 0.00 N ATOM 1007 CA VAL A 65 -2.407 3.338 12.096 1.00 0.00 C ATOM 1008 C VAL A 65 -1.371 2.722 11.163 1.00 0.00 C ATOM 1009 O VAL A 65 -0.476 3.409 10.671 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.626 3.786 11.269 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -3.247 4.922 10.331 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.202 2.612 10.492 1.00 0.00 C ATOM 0 H VAL A 65 -1.096 4.952 12.366 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.726 2.591 12.823 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.392 4.152 11.952 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.121 5.225 9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.885 5.769 10.913 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.463 4.587 9.652 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.063 2.946 9.913 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.443 2.215 9.818 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.513 1.833 11.188 1.00 0.00 H new ATOM 1022 N GLY A 66 -1.499 1.421 10.921 1.00 0.00 N ATOM 1023 CA GLY A 66 -0.568 0.733 10.046 1.00 0.00 C ATOM 1024 C GLY A 66 -0.756 1.107 8.590 1.00 0.00 C ATOM 1025 O GLY A 66 -1.884 1.290 8.129 1.00 0.00 O ATOM 0 H GLY A 66 -2.231 0.831 11.316 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.452 0.968 10.349 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.695 -0.344 10.161 1.00 0.00 H new ATOM 1029 N LEU A 67 0.349 1.224 7.863 1.00 0.00 N ATOM 1030 CA LEU A 67 0.301 1.581 6.449 1.00 0.00 C ATOM 1031 C LEU A 67 -0.581 0.610 5.671 1.00 0.00 C ATOM 1032 O LEU A 67 -1.231 0.990 4.698 1.00 0.00 O ATOM 1033 CB LEU A 67 1.712 1.592 5.857 1.00 0.00 C ATOM 1034 CG LEU A 67 2.331 0.223 5.573 1.00 0.00 C ATOM 1035 CD1 LEU A 67 3.583 0.370 4.722 1.00 0.00 C ATOM 1036 CD2 LEU A 67 2.649 -0.500 6.874 1.00 0.00 C ATOM 0 H LEU A 67 1.290 1.077 8.229 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.129 2.579 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.689 2.159 4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.368 2.130 6.542 1.00 0.00 H new ATOM 0 HG LEU A 67 1.607 -0.374 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.010 -0.614 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.326 0.845 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.312 0.985 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.089 -1.472 6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.354 0.093 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.732 -0.639 7.447 1.00 0.00 H new ATOM 1048 N GLU A 68 -0.600 -0.645 6.110 1.00 0.00 N ATOM 1049 CA GLU A 68 -1.405 -1.670 5.455 1.00 0.00 C ATOM 1050 C GLU A 68 -2.894 -1.378 5.615 1.00 0.00 C ATOM 1051 O GLU A 68 -3.645 -1.379 4.640 1.00 0.00 O ATOM 1052 CB GLU A 68 -1.080 -3.050 6.032 1.00 0.00 C ATOM 1053 CG GLU A 68 0.396 -3.404 5.968 1.00 0.00 C ATOM 1054 CD GLU A 68 0.634 -4.898 5.853 1.00 0.00 C ATOM 1055 OE1 GLU A 68 1.449 -5.304 4.998 1.00 0.00 O ATOM 1056 OE2 GLU A 68 0.005 -5.660 6.616 1.00 0.00 O ATOM 0 H GLU A 68 -0.068 -0.976 6.915 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.163 -1.661 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.409 -3.087 7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.650 -3.805 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.850 -2.901 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.895 -3.028 6.861 1.00 0.00 H new ATOM 1063 N ASP A 69 -3.312 -1.129 6.851 1.00 0.00 N ATOM 1064 CA ASP A 69 -4.711 -0.835 7.139 1.00 0.00 C ATOM 1065 C ASP A 69 -5.212 0.322 6.280 1.00 0.00 C ATOM 1066 O ASP A 69 -6.226 0.204 5.593 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.889 -0.499 8.621 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.163 -1.475 9.526 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.371 -2.696 9.371 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -3.385 -1.016 10.390 1.00 0.00 O ATOM 0 H ASP A 69 -2.703 -1.125 7.669 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.299 -1.722 6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.521 0.510 8.809 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.951 -0.501 8.866 1.00 0.00 H new ATOM 1075 N MET A 70 -4.494 1.440 6.325 1.00 0.00 N ATOM 1076 CA MET A 70 -4.866 2.618 5.550 1.00 0.00 C ATOM 1077 C MET A 70 -4.840 2.315 4.055 1.00 0.00 C ATOM 1078 O MET A 70 -5.529 2.966 3.268 1.00 0.00 O ATOM 1079 CB MET A 70 -3.921 3.780 5.863 1.00 0.00 C ATOM 1080 CG MET A 70 -4.641 5.057 6.263 1.00 0.00 C ATOM 1081 SD MET A 70 -3.523 6.305 6.931 1.00 0.00 S ATOM 1082 CE MET A 70 -4.667 7.320 7.863 1.00 0.00 C ATOM 0 H MET A 70 -3.652 1.555 6.889 1.00 0.00 H new ATOM 0 HA MET A 70 -5.881 2.900 5.828 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.249 3.484 6.668 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.302 3.980 4.988 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.158 5.465 5.395 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.403 4.822 7.006 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.114 7.927 8.579 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.214 7.971 7.181 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.370 6.680 8.396 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.043 1.325 3.670 1.00 0.00 N ATOM 1093 CA LEU A 71 -3.927 0.937 2.268 1.00 0.00 C ATOM 1094 C LEU A 71 -5.274 0.480 1.717 1.00 0.00 C ATOM 1095 O LEU A 71 -5.757 1.006 0.715 1.00 0.00 O ATOM 1096 CB LEU A 71 -2.894 -0.180 2.112 1.00 0.00 C ATOM 1097 CG LEU A 71 -2.283 -0.339 0.719 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -0.987 -1.131 0.792 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -3.270 -1.014 -0.223 1.00 0.00 C ATOM 0 H LEU A 71 -3.467 0.776 4.308 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.600 1.808 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.087 -0.003 2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.363 -1.123 2.391 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.058 0.653 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.567 -1.234 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.276 -0.608 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.188 -2.120 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.818 -1.119 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.527 -2.000 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.172 -0.408 -0.300 1.00 0.00 H new ATOM 1111 N ALA A 72 -5.878 -0.500 2.381 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.171 -1.025 1.960 1.00 0.00 C ATOM 1113 C ALA A 72 -8.205 0.090 1.847 1.00 0.00 C ATOM 1114 O ALA A 72 -9.110 0.027 1.014 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.649 -2.093 2.933 1.00 0.00 C ATOM 0 H ALA A 72 -5.492 -0.947 3.213 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.050 -1.475 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.616 -2.476 2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.926 -2.908 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.748 -1.660 3.929 1.00 0.00 H new ATOM 1121 N ILE A 73 -8.065 1.109 2.688 1.00 0.00 N ATOM 1122 CA ILE A 73 -8.987 2.238 2.681 1.00 0.00 C ATOM 1123 C ILE A 73 -8.702 3.173 1.511 1.00 0.00 C ATOM 1124 O ILE A 73 -9.554 3.382 0.648 1.00 0.00 O ATOM 1125 CB ILE A 73 -8.908 3.038 3.995 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -8.893 2.089 5.195 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -10.075 4.009 4.095 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -8.690 2.793 6.519 1.00 0.00 C ATOM 0 H ILE A 73 -7.322 1.176 3.383 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.990 1.825 2.577 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.982 3.612 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.834 1.539 5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.099 1.355 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.005 4.567 5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.044 4.703 3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.013 3.454 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.690 2.059 7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.736 3.320 6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.497 3.508 6.679 1.00 0.00 H new ATOM 1140 N SER A 74 -7.496 3.732 1.488 1.00 0.00 N ATOM 1141 CA SER A 74 -7.098 4.647 0.425 1.00 0.00 C ATOM 1142 C SER A 74 -7.247 3.988 -0.943 1.00 0.00 C ATOM 1143 O SER A 74 -7.405 4.666 -1.957 1.00 0.00 O ATOM 1144 CB SER A 74 -5.652 5.103 0.630 1.00 0.00 C ATOM 1145 OG SER A 74 -5.391 5.374 1.996 1.00 0.00 O ATOM 0 H SER A 74 -6.778 3.567 2.193 1.00 0.00 H new ATOM 0 HA SER A 74 -7.754 5.517 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.970 4.331 0.272 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.462 5.997 0.036 1.00 0.00 H new ATOM 0 HG SER A 74 -5.271 4.530 2.480 1.00 0.00 H new ATOM 1151 N GLY A 75 -7.194 2.660 -0.962 1.00 0.00 N ATOM 1152 CA GLY A 75 -7.324 1.930 -2.210 1.00 0.00 C ATOM 1153 C GLY A 75 -8.771 1.694 -2.595 1.00 0.00 C ATOM 1154 O GLY A 75 -9.058 0.963 -3.544 1.00 0.00 O ATOM 0 H GLY A 75 -7.063 2.076 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.825 2.484 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.814 0.971 -2.121 1.00 0.00 H new ATOM 1158 N LYS A 76 -9.687 2.312 -1.857 1.00 0.00 N ATOM 1159 CA LYS A 76 -11.112 2.166 -2.125 1.00 0.00 C ATOM 1160 C LYS A 76 -11.560 0.723 -1.917 1.00 0.00 C ATOM 1161 O LYS A 76 -12.111 0.096 -2.822 1.00 0.00 O ATOM 1162 CB LYS A 76 -11.431 2.609 -3.555 1.00 0.00 C ATOM 1163 CG LYS A 76 -12.827 3.187 -3.715 1.00 0.00 C ATOM 1164 CD LYS A 76 -13.388 2.912 -5.100 1.00 0.00 C ATOM 1165 CE LYS A 76 -14.847 2.486 -5.036 1.00 0.00 C ATOM 1166 NZ LYS A 76 -15.674 3.455 -4.264 1.00 0.00 N ATOM 0 H LYS A 76 -9.467 2.919 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.655 2.801 -1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.700 3.355 -3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.321 1.756 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.488 2.758 -2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.799 4.262 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.296 3.807 -5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.801 2.131 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.243 2.395 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.918 1.500 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.672 3.357 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.576 3.262 -3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.353 4.423 -4.465 1.00 0.00 H new ATOM 1180 N THR A 77 -11.321 0.201 -0.718 1.00 0.00 N ATOM 1181 CA THR A 77 -11.700 -1.168 -0.391 1.00 0.00 C ATOM 1182 C THR A 77 -12.301 -1.253 1.007 1.00 0.00 C ATOM 1183 O THR A 77 -13.449 -1.668 1.177 1.00 0.00 O ATOM 1184 CB THR A 77 -10.493 -2.121 -0.477 1.00 0.00 C ATOM 1185 OG1 THR A 77 -9.441 -1.511 -1.233 1.00 0.00 O ATOM 1186 CG2 THR A 77 -10.890 -3.440 -1.123 1.00 0.00 C ATOM 0 H THR A 77 -10.867 0.706 0.043 1.00 0.00 H new ATOM 0 HA THR A 77 -12.447 -1.473 -1.124 1.00 0.00 H new ATOM 0 HB THR A 77 -10.143 -2.322 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.018 -0.808 -0.697 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.021 -4.097 -1.173 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.671 -3.915 -0.529 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.263 -3.254 -2.130 1.00 0.00 H new ATOM 1194 N LEU A 78 -11.521 -0.857 2.007 1.00 0.00 N ATOM 1195 CA LEU A 78 -11.977 -0.887 3.392 1.00 0.00 C ATOM 1196 C LEU A 78 -12.594 0.449 3.792 1.00 0.00 C ATOM 1197 O LEU A 78 -12.492 1.436 3.062 1.00 0.00 O ATOM 1198 CB LEU A 78 -10.814 -1.224 4.326 1.00 0.00 C ATOM 1199 CG LEU A 78 -10.815 -2.634 4.917 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -9.482 -2.934 5.586 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -11.959 -2.797 5.907 1.00 0.00 C ATOM 0 H LEU A 78 -10.569 -0.511 1.884 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.741 -1.660 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.882 -1.082 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.814 -0.507 5.147 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.959 -3.347 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.502 -3.942 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.681 -2.860 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.307 -2.216 6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.944 -3.807 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.846 -2.075 6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.908 -2.626 5.398 1.00 0.00 H new ATOM 1213 N THR A 79 -13.234 0.476 4.957 1.00 0.00 N ATOM 1214 CA THR A 79 -13.866 1.691 5.455 1.00 0.00 C ATOM 1215 C THR A 79 -13.418 2.000 6.879 1.00 0.00 C ATOM 1216 O THR A 79 -13.026 1.104 7.626 1.00 0.00 O ATOM 1217 CB THR A 79 -15.402 1.577 5.426 1.00 0.00 C ATOM 1218 OG1 THR A 79 -15.843 0.648 6.421 1.00 0.00 O ATOM 1219 CG2 THR A 79 -15.885 1.127 4.055 1.00 0.00 C ATOM 0 H THR A 79 -13.328 -0.331 5.574 1.00 0.00 H new ATOM 0 HA THR A 79 -13.556 2.502 4.796 1.00 0.00 H new ATOM 0 HB THR A 79 -15.822 2.561 5.637 1.00 0.00 H new ATOM 0 HG1 THR A 79 -16.821 0.583 6.397 1.00 0.00 H new ATOM 0 HG21 THR A 79 -16.973 1.054 4.058 1.00 0.00 H new ATOM 0 HG22 THR A 79 -15.573 1.852 3.303 1.00 0.00 H new ATOM 0 HG23 THR A 79 -15.456 0.153 3.820 1.00 0.00 H new ATOM 1227 N VAL A 80 -13.478 3.275 7.249 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.080 3.703 8.585 1.00 0.00 C ATOM 1229 C VAL A 80 -13.776 2.873 9.658 1.00 0.00 C ATOM 1230 O VAL A 80 -13.144 2.411 10.607 1.00 0.00 O ATOM 1231 CB VAL A 80 -13.400 5.192 8.816 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.149 5.573 10.267 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -12.579 6.064 7.878 1.00 0.00 C ATOM 0 H VAL A 80 -13.798 4.030 6.642 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.002 3.555 8.657 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.455 5.357 8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.380 6.628 10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.784 4.970 10.916 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.103 5.394 10.514 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -12.817 7.113 8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.518 5.897 8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.813 5.808 6.845 1.00 0.00 H new ATOM 1243 N GLY A 81 -15.083 2.687 9.500 1.00 0.00 N ATOM 1244 CA GLY A 81 -15.843 1.912 10.462 1.00 0.00 C ATOM 1245 C GLY A 81 -15.272 0.523 10.669 1.00 0.00 C ATOM 1246 O GLY A 81 -15.257 0.011 11.789 1.00 0.00 O ATOM 0 H GLY A 81 -15.629 3.059 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.861 2.440 11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -16.876 1.830 10.123 1.00 0.00 H new ATOM 1250 N ASP A 82 -14.803 -0.089 9.588 1.00 0.00 N ATOM 1251 CA ASP A 82 -14.229 -1.428 9.655 1.00 0.00 C ATOM 1252 C ASP A 82 -12.971 -1.437 10.518 1.00 0.00 C ATOM 1253 O ASP A 82 -12.871 -2.198 11.479 1.00 0.00 O ATOM 1254 CB ASP A 82 -13.903 -1.938 8.251 1.00 0.00 C ATOM 1255 CG ASP A 82 -14.752 -3.130 7.855 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -14.186 -4.119 7.344 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -15.983 -3.073 8.058 1.00 0.00 O ATOM 0 H ASP A 82 -14.809 0.321 8.654 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.966 -2.090 10.111 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.054 -1.133 7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.850 -2.214 8.204 1.00 0.00 H new ATOM 1262 N ALA A 83 -12.013 -0.586 10.166 1.00 0.00 N ATOM 1263 CA ALA A 83 -10.761 -0.495 10.909 1.00 0.00 C ATOM 1264 C ALA A 83 -11.016 -0.166 12.376 1.00 0.00 C ATOM 1265 O ALA A 83 -10.289 -0.620 13.260 1.00 0.00 O ATOM 1266 CB ALA A 83 -9.850 0.550 10.282 1.00 0.00 C ATOM 0 H ALA A 83 -12.079 0.050 9.371 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.268 -1.466 10.862 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.919 0.607 10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.632 0.271 9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.345 1.521 10.299 1.00 0.00 H new ATOM 1272 N LEU A 84 -12.052 0.626 12.628 1.00 0.00 N ATOM 1273 CA LEU A 84 -12.403 1.018 13.989 1.00 0.00 C ATOM 1274 C LEU A 84 -12.930 -0.175 14.780 1.00 0.00 C ATOM 1275 O LEU A 84 -12.468 -0.453 15.887 1.00 0.00 O ATOM 1276 CB LEU A 84 -13.450 2.132 13.966 1.00 0.00 C ATOM 1277 CG LEU A 84 -13.341 3.179 15.076 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -11.985 3.867 15.028 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -14.463 4.199 14.959 1.00 0.00 C ATOM 0 H LEU A 84 -12.664 1.010 11.908 1.00 0.00 H new ATOM 0 HA LEU A 84 -11.501 1.386 14.479 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.387 2.643 13.005 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -14.438 1.676 14.020 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.436 2.674 16.037 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.925 4.609 15.825 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.196 3.126 15.161 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.861 4.360 14.064 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -14.369 4.936 15.757 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -14.400 4.700 13.993 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -15.425 3.693 15.043 1.00 0.00 H new ATOM 1291 N LYS A 85 -13.897 -0.880 14.203 1.00 0.00 N ATOM 1292 CA LYS A 85 -14.485 -2.046 14.851 1.00 0.00 C ATOM 1293 C LYS A 85 -13.426 -3.110 15.123 1.00 0.00 C ATOM 1294 O LYS A 85 -13.423 -3.738 16.181 1.00 0.00 O ATOM 1295 CB LYS A 85 -15.600 -2.631 13.981 1.00 0.00 C ATOM 1296 CG LYS A 85 -16.947 -1.962 14.186 1.00 0.00 C ATOM 1297 CD LYS A 85 -18.080 -2.975 14.185 1.00 0.00 C ATOM 1298 CE LYS A 85 -19.334 -2.410 14.833 1.00 0.00 C ATOM 1299 NZ LYS A 85 -20.568 -2.828 14.112 1.00 0.00 N ATOM 0 H LYS A 85 -14.290 -0.664 13.287 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.906 -1.726 15.804 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.316 -2.542 12.933 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -15.696 -3.695 14.196 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.944 -1.419 15.131 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.113 -1.228 13.397 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.302 -3.273 13.160 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -17.767 -3.873 14.718 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -19.389 -2.743 15.869 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -19.275 -1.322 14.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -21.401 -2.422 14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -20.528 -2.489 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -20.638 -3.866 14.117 1.00 0.00 H new ATOM 1313 N GLN A 86 -12.530 -3.305 14.161 1.00 0.00 N ATOM 1314 CA GLN A 86 -11.466 -4.292 14.298 1.00 0.00 C ATOM 1315 C GLN A 86 -10.399 -3.811 15.276 1.00 0.00 C ATOM 1316 O GLN A 86 -9.852 -4.596 16.050 1.00 0.00 O ATOM 1317 CB GLN A 86 -10.832 -4.582 12.937 1.00 0.00 C ATOM 1318 CG GLN A 86 -11.804 -5.170 11.926 1.00 0.00 C ATOM 1319 CD GLN A 86 -11.126 -5.575 10.632 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -9.917 -5.808 10.598 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -11.903 -5.663 9.559 1.00 0.00 N ATOM 0 H GLN A 86 -12.520 -2.793 13.279 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.905 -5.209 14.690 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.417 -3.658 12.535 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.000 -5.273 13.073 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.294 -6.040 12.363 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.584 -4.440 11.710 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.900 -5.461 9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.503 -5.933 8.660 1.00 0.00 H new ATOM 1330 N GLY A 87 -10.108 -2.514 15.236 1.00 0.00 N ATOM 1331 CA GLY A 87 -9.107 -1.950 16.124 1.00 0.00 C ATOM 1332 C GLY A 87 -7.772 -1.745 15.436 1.00 0.00 C ATOM 1333 O GLY A 87 -6.718 -1.887 16.055 1.00 0.00 O ATOM 0 H GLY A 87 -10.547 -1.844 14.605 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.464 -0.995 16.509 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.973 -2.610 16.981 1.00 0.00 H new ATOM 1337 N LYS A 88 -7.816 -1.412 14.150 1.00 0.00 N ATOM 1338 CA LYS A 88 -6.601 -1.187 13.376 1.00 0.00 C ATOM 1339 C LYS A 88 -5.995 0.175 13.698 1.00 0.00 C ATOM 1340 O LYS A 88 -4.778 0.355 13.630 1.00 0.00 O ATOM 1341 CB LYS A 88 -6.901 -1.283 11.878 1.00 0.00 C ATOM 1342 CG LYS A 88 -7.783 -2.463 11.509 1.00 0.00 C ATOM 1343 CD LYS A 88 -7.208 -3.771 12.025 1.00 0.00 C ATOM 1344 CE LYS A 88 -7.083 -4.802 10.913 1.00 0.00 C ATOM 1345 NZ LYS A 88 -7.204 -6.193 11.430 1.00 0.00 N ATOM 0 H LYS A 88 -8.680 -1.292 13.622 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.880 -1.958 13.646 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.386 -0.362 11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.961 -1.358 11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.781 -2.315 11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.890 -2.514 10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.228 -3.590 12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.847 -4.163 12.816 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.855 -4.624 10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.122 -4.683 10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.566 -6.818 10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.946 -6.213 12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.184 -6.521 11.317 1.00 0.00 H new ATOM 1359 N ILE A 89 -6.849 1.130 14.049 1.00 0.00 N ATOM 1360 CA ILE A 89 -6.397 2.474 14.384 1.00 0.00 C ATOM 1361 C ILE A 89 -6.133 2.609 15.879 1.00 0.00 C ATOM 1362 O ILE A 89 -6.682 1.860 16.686 1.00 0.00 O ATOM 1363 CB ILE A 89 -7.427 3.538 13.958 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -8.135 3.107 12.672 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -6.749 4.886 13.770 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -7.207 2.990 11.482 1.00 0.00 C ATOM 0 H ILE A 89 -7.859 0.998 14.109 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.469 2.639 13.837 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.174 3.636 14.746 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.622 2.146 12.839 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.921 3.826 12.441 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.490 5.627 13.469 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.287 5.195 14.708 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.984 4.804 12.998 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.776 2.681 10.606 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.739 3.956 11.289 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.436 2.249 11.693 1.00 0.00 H new ATOM 1378 N GLU A 90 -5.289 3.570 16.242 1.00 0.00 N ATOM 1379 CA GLU A 90 -4.953 3.803 17.641 1.00 0.00 C ATOM 1380 C GLU A 90 -5.308 5.228 18.056 1.00 0.00 C ATOM 1381 O GLU A 90 -5.263 6.153 17.244 1.00 0.00 O ATOM 1382 CB GLU A 90 -3.463 3.547 17.881 1.00 0.00 C ATOM 1383 CG GLU A 90 -3.031 3.769 19.321 1.00 0.00 C ATOM 1384 CD GLU A 90 -1.536 3.610 19.512 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -0.771 4.285 18.791 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -1.130 2.812 20.383 1.00 0.00 O ATOM 0 H GLU A 90 -4.826 4.199 15.586 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.536 3.110 18.248 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.228 2.522 17.594 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.881 4.201 17.231 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.329 4.769 19.636 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.553 3.062 19.966 1.00 0.00 H new ATOM 1393 N LEU A 91 -5.661 5.398 19.325 1.00 0.00 N ATOM 1394 CA LEU A 91 -6.025 6.710 19.850 1.00 0.00 C ATOM 1395 C LEU A 91 -5.014 7.180 20.891 1.00 0.00 C ATOM 1396 O LEU A 91 -4.437 6.372 21.619 1.00 0.00 O ATOM 1397 CB LEU A 91 -7.425 6.665 20.465 1.00 0.00 C ATOM 1398 CG LEU A 91 -7.891 5.300 20.972 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -7.010 4.826 22.117 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -9.348 5.362 21.408 1.00 0.00 C ATOM 0 H LEU A 91 -5.703 4.644 20.010 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.022 7.419 19.022 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.458 7.370 21.296 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.139 7.017 19.720 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.807 4.583 20.156 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.357 3.853 22.464 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.979 4.742 21.772 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.061 5.543 22.936 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.663 4.382 21.766 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.457 6.093 22.209 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.969 5.656 20.562 1.00 0.00 H new ATOM 1412 N SER A 92 -4.807 8.491 20.957 1.00 0.00 N ATOM 1413 CA SER A 92 -3.865 9.068 21.909 1.00 0.00 C ATOM 1414 C SER A 92 -3.937 10.592 21.888 1.00 0.00 C ATOM 1415 O SER A 92 -3.760 11.219 20.845 1.00 0.00 O ATOM 1416 CB SER A 92 -2.440 8.610 21.591 1.00 0.00 C ATOM 1417 OG SER A 92 -1.509 9.169 22.501 1.00 0.00 O ATOM 0 H SER A 92 -5.278 9.173 20.363 1.00 0.00 H new ATOM 0 HA SER A 92 -4.137 8.722 22.906 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.386 7.522 21.634 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.179 8.902 20.574 1.00 0.00 H new ATOM 0 HG SER A 92 -0.607 8.859 22.277 1.00 0.00 H new ATOM 1423 N GLY A 93 -4.201 11.182 23.051 1.00 0.00 N ATOM 1424 CA GLY A 93 -4.293 12.627 23.146 1.00 0.00 C ATOM 1425 C GLY A 93 -5.696 13.098 23.471 1.00 0.00 C ATOM 1426 O GLY A 93 -6.201 12.857 24.567 1.00 0.00 O ATOM 0 H GLY A 93 -4.353 10.684 23.928 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.607 12.982 23.915 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.973 13.071 22.203 1.00 0.00 H new ATOM 1430 N ASP A 94 -6.327 13.774 22.517 1.00 0.00 N ATOM 1431 CA ASP A 94 -7.681 14.281 22.707 1.00 0.00 C ATOM 1432 C ASP A 94 -8.699 13.392 21.999 1.00 0.00 C ATOM 1433 O ASP A 94 -9.254 13.768 20.967 1.00 0.00 O ATOM 1434 CB ASP A 94 -7.789 15.715 22.188 1.00 0.00 C ATOM 1435 CG ASP A 94 -7.600 16.744 23.285 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -6.789 17.675 23.093 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -8.262 16.619 24.336 1.00 0.00 O ATOM 0 H ASP A 94 -5.922 13.984 21.604 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.899 14.272 23.775 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.041 15.874 21.412 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.765 15.858 21.724 1.00 0.00 H new ATOM 1442 N ALA A 95 -8.938 12.211 22.559 1.00 0.00 N ATOM 1443 CA ALA A 95 -9.889 11.270 21.982 1.00 0.00 C ATOM 1444 C ALA A 95 -11.176 11.974 21.567 1.00 0.00 C ATOM 1445 O ALA A 95 -11.780 11.636 20.549 1.00 0.00 O ATOM 1446 CB ALA A 95 -10.191 10.152 22.970 1.00 0.00 C ATOM 0 H ALA A 95 -8.486 11.883 23.412 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.438 10.838 21.088 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.903 9.456 22.526 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.270 9.623 23.213 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.617 10.575 23.880 1.00 0.00 H new ATOM 1452 N ASP A 96 -11.591 12.954 22.362 1.00 0.00 N ATOM 1453 CA ASP A 96 -12.807 13.707 22.077 1.00 0.00 C ATOM 1454 C ASP A 96 -12.803 14.224 20.642 1.00 0.00 C ATOM 1455 O ASP A 96 -13.793 14.094 19.921 1.00 0.00 O ATOM 1456 CB ASP A 96 -12.950 14.876 23.053 1.00 0.00 C ATOM 1457 CG ASP A 96 -14.321 14.929 23.697 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -15.208 15.618 23.149 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -14.509 14.281 24.747 1.00 0.00 O ATOM 0 H ASP A 96 -11.103 13.246 23.209 1.00 0.00 H new ATOM 0 HA ASP A 96 -13.657 13.036 22.200 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.190 14.792 23.830 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -12.764 15.811 22.525 1.00 0.00 H new ATOM 1464 N LEU A 97 -11.683 14.811 20.234 1.00 0.00 N ATOM 1465 CA LEU A 97 -11.549 15.350 18.885 1.00 0.00 C ATOM 1466 C LEU A 97 -11.573 14.231 17.848 1.00 0.00 C ATOM 1467 O LEU A 97 -12.368 14.259 16.909 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.251 16.149 18.760 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.383 17.667 18.882 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -9.708 18.162 20.152 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.792 18.354 17.660 1.00 0.00 C ATOM 0 H LEU A 97 -10.855 14.926 20.818 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.395 16.012 18.699 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.559 15.802 19.527 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.798 15.920 17.795 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.443 17.916 18.937 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.812 19.245 20.221 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.177 17.696 21.019 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.650 17.900 20.127 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.895 19.434 17.764 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.736 18.097 17.573 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.321 18.024 16.766 1.00 0.00 H new ATOM 1483 N ALA A 98 -10.698 13.247 18.026 1.00 0.00 N ATOM 1484 CA ALA A 98 -10.621 12.118 17.108 1.00 0.00 C ATOM 1485 C ALA A 98 -11.979 11.440 16.958 1.00 0.00 C ATOM 1486 O ALA A 98 -12.281 10.858 15.916 1.00 0.00 O ATOM 1487 CB ALA A 98 -9.580 11.118 17.588 1.00 0.00 C ATOM 0 H ALA A 98 -10.032 13.209 18.798 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.322 12.496 16.130 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.533 10.280 16.893 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.605 11.603 17.638 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.855 10.754 18.578 1.00 0.00 H new ATOM 1493 N ALA A 99 -12.793 11.518 18.005 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.119 10.913 17.989 1.00 0.00 C ATOM 1495 C ALA A 99 -14.976 11.499 16.872 1.00 0.00 C ATOM 1496 O ALA A 99 -15.755 10.789 16.235 1.00 0.00 O ATOM 1497 CB ALA A 99 -14.802 11.101 19.336 1.00 0.00 C ATOM 0 H ALA A 99 -12.557 11.994 18.876 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.002 9.846 17.800 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.791 10.644 19.309 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.205 10.628 20.116 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -14.900 12.166 19.549 1.00 0.00 H new ATOM 1503 N LYS A 100 -14.830 12.799 16.641 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.590 13.482 15.600 1.00 0.00 C ATOM 1505 C LYS A 100 -15.248 12.925 14.222 1.00 0.00 C ATOM 1506 O LYS A 100 -16.137 12.611 13.430 1.00 0.00 O ATOM 1507 CB LYS A 100 -15.309 14.986 15.639 1.00 0.00 C ATOM 1508 CG LYS A 100 -15.308 15.569 17.041 1.00 0.00 C ATOM 1509 CD LYS A 100 -16.507 15.091 17.844 1.00 0.00 C ATOM 1510 CE LYS A 100 -17.156 16.233 18.610 1.00 0.00 C ATOM 1511 NZ LYS A 100 -16.270 16.751 19.690 1.00 0.00 N ATOM 0 H LYS A 100 -14.192 13.402 17.161 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.650 13.312 15.788 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.342 15.178 15.174 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.059 15.503 15.040 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -14.389 15.285 17.554 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -15.318 16.657 16.984 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.238 14.639 17.174 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -16.193 14.315 18.542 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -17.398 17.041 17.920 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.096 15.891 19.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.748 17.528 20.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.059 15.986 20.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.383 17.101 19.274 1.00 0.00 H new ATOM 1525 N LEU A 101 -13.955 12.803 13.943 1.00 0.00 N ATOM 1526 CA LEU A 101 -13.495 12.282 12.660 1.00 0.00 C ATOM 1527 C LEU A 101 -14.099 10.909 12.382 1.00 0.00 C ATOM 1528 O LEU A 101 -14.711 10.690 11.337 1.00 0.00 O ATOM 1529 CB LEU A 101 -11.968 12.192 12.642 1.00 0.00 C ATOM 1530 CG LEU A 101 -11.328 11.911 11.281 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -10.926 13.211 10.602 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -10.124 10.994 11.437 1.00 0.00 C ATOM 0 H LEU A 101 -13.207 13.058 14.588 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.822 12.968 11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -11.564 13.129 13.024 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -11.662 11.407 13.334 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.063 11.409 10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.473 12.992 9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.809 13.833 10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.208 13.741 11.228 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.681 10.805 10.459 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -9.386 11.469 12.083 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.441 10.050 11.881 1.00 0.00 H new ATOM 1544 N ALA A 102 -13.925 9.989 13.325 1.00 0.00 N ATOM 1545 CA ALA A 102 -14.456 8.639 13.183 1.00 0.00 C ATOM 1546 C ALA A 102 -15.973 8.660 13.029 1.00 0.00 C ATOM 1547 O ALA A 102 -16.529 7.968 12.177 1.00 0.00 O ATOM 1548 CB ALA A 102 -14.057 7.786 14.378 1.00 0.00 C ATOM 0 H ALA A 102 -13.420 10.154 14.196 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.031 8.201 12.280 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.461 6.781 14.258 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.970 7.736 14.442 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -14.454 8.230 15.291 1.00 0.00 H new