USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 501 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 51 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 86:sc= 0.934 USER MOD Single : A 58 SER OG : rot 77:sc= 0.00819 USER MOD Single : A 63 ASN : amide:sc= -0.425 X(o=-0.42,f=-0.14) USER MOD Single : A 73 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.25) USER MOD Single : A 74 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.39) USER MOD Single : A 77 ASN : amide:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.00076) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.8) USER MOD Single : A 85 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.4) USER MOD Single : A 87 ASN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.626 K(o=0.63,f=-3.7!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 130:sc= -0.0091 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.194 F(o=-0.82,f=-0.19) USER MOD Single : A 97 LYS NZ :NH3+ 172:sc= 1.21 (180deg=1.17) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -141:sc= 1.22 (180deg=-0.0532) USER MOD Single : A 107 GLN : amide:sc= 0.861 K(o=0.86,f=0) USER MOD Single : A 110 SER OG : rot -41:sc= 0.388 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 47 -3.083 13.939 -3.733 1.00 0.00 N ATOM 2 CA GLY A 47 -1.670 13.648 -3.475 1.00 0.00 C ATOM 3 C GLY A 47 -1.232 12.313 -4.040 1.00 0.00 C ATOM 4 O GLY A 47 -1.772 11.276 -3.668 1.00 0.00 O ATOM 0 HA2 GLY A 47 -1.056 14.439 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.492 13.658 -2.400 1.00 0.00 H new ATOM 8 N GLU A 48 -0.178 12.327 -4.855 1.00 0.00 N ATOM 9 CA GLU A 48 0.440 11.181 -5.515 1.00 0.00 C ATOM 10 C GLU A 48 0.766 10.066 -4.530 1.00 0.00 C ATOM 11 O GLU A 48 0.389 8.920 -4.752 1.00 0.00 O ATOM 12 CB GLU A 48 1.685 11.696 -6.239 1.00 0.00 C ATOM 13 CG GLU A 48 2.595 10.613 -6.843 1.00 0.00 C ATOM 14 CD GLU A 48 3.186 11.064 -8.187 1.00 0.00 C ATOM 15 OE1 GLU A 48 3.727 12.194 -8.274 1.00 0.00 O ATOM 16 OE2 GLU A 48 3.104 10.292 -9.172 1.00 0.00 O ATOM 0 H GLU A 48 0.298 13.199 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.251 10.735 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.368 12.367 -7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.272 12.290 -5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.402 10.384 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.026 9.694 -6.984 1.00 0.00 H new ATOM 23 N VAL A 49 1.415 10.405 -3.418 1.00 0.00 N ATOM 24 CA VAL A 49 1.767 9.431 -2.389 1.00 0.00 C ATOM 25 C VAL A 49 0.505 8.720 -1.884 1.00 0.00 C ATOM 26 O VAL A 49 0.506 7.512 -1.689 1.00 0.00 O ATOM 27 CB VAL A 49 2.585 10.087 -1.269 1.00 0.00 C ATOM 28 CG1 VAL A 49 1.898 11.328 -0.684 1.00 0.00 C ATOM 29 CG2 VAL A 49 2.945 9.058 -0.185 1.00 0.00 C ATOM 0 H VAL A 49 1.710 11.358 -3.206 1.00 0.00 H new ATOM 0 HA VAL A 49 2.411 8.664 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 49 3.514 10.445 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.521 11.751 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.754 12.069 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.930 11.047 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.525 9.544 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.031 8.645 0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.534 8.255 -0.627 1.00 0.00 H new ATOM 39 N ARG A 50 -0.594 9.439 -1.648 1.00 0.00 N ATOM 40 CA ARG A 50 -1.820 8.785 -1.193 1.00 0.00 C ATOM 41 C ARG A 50 -2.357 7.873 -2.297 1.00 0.00 C ATOM 42 O ARG A 50 -2.834 6.789 -1.975 1.00 0.00 O ATOM 43 CB ARG A 50 -2.897 9.785 -0.811 1.00 0.00 C ATOM 44 CG ARG A 50 -2.648 10.550 0.496 1.00 0.00 C ATOM 45 CD ARG A 50 -3.983 11.228 0.777 1.00 0.00 C ATOM 46 NE ARG A 50 -4.096 11.965 2.042 1.00 0.00 N ATOM 47 CZ ARG A 50 -5.297 12.320 2.522 1.00 0.00 C ATOM 48 NH1 ARG A 50 -6.397 12.097 1.800 1.00 0.00 N ATOM 49 NH2 ARG A 50 -5.409 12.879 3.722 1.00 0.00 N ATOM 0 H ARG A 50 -0.661 10.451 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.568 8.206 -0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.003 10.507 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.847 9.257 -0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.362 9.878 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.844 11.278 0.387 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.192 11.920 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.762 10.466 0.756 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.253 12.209 2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.324 11.656 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.310 12.367 2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.576 13.042 4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.327 13.145 4.077 1.00 0.00 H new ATOM 63 N ASN A 51 -2.264 8.301 -3.561 1.00 0.00 N ATOM 64 CA ASN A 51 -2.723 7.541 -4.723 1.00 0.00 C ATOM 65 C ASN A 51 -2.025 6.199 -4.767 1.00 0.00 C ATOM 66 O ASN A 51 -2.668 5.155 -4.802 1.00 0.00 O ATOM 67 CB ASN A 51 -2.394 8.261 -6.047 1.00 0.00 C ATOM 68 CG ASN A 51 -3.579 8.338 -6.988 1.00 0.00 C ATOM 69 OD1 ASN A 51 -3.863 7.397 -7.721 1.00 0.00 O ATOM 70 ND2 ASN A 51 -4.264 9.467 -7.023 1.00 0.00 N ATOM 0 H ASN A 51 -1.859 9.204 -3.807 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.803 7.432 -4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.044 9.270 -5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.575 7.740 -6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.047 9.569 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.010 10.237 -6.404 1.00 0.00 H new ATOM 77 N ILE A 52 -0.690 6.238 -4.756 1.00 0.00 N ATOM 78 CA ILE A 52 0.094 5.028 -4.827 1.00 0.00 C ATOM 79 C ILE A 52 -0.135 4.143 -3.607 1.00 0.00 C ATOM 80 O ILE A 52 -0.097 2.920 -3.735 1.00 0.00 O ATOM 81 CB ILE A 52 1.589 5.337 -5.042 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.365 4.069 -5.413 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.253 5.923 -3.797 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.651 4.407 -6.159 1.00 0.00 C ATOM 0 H ILE A 52 -0.142 7.097 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.245 4.466 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 52 1.622 6.068 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.603 3.508 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.740 3.426 -6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.304 6.121 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.755 6.853 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.173 5.213 -2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.179 3.487 -6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.409 4.946 -7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.285 5.030 -5.528 1.00 0.00 H new ATOM 96 N VAL A 53 -0.349 4.750 -2.433 1.00 0.00 N ATOM 97 CA VAL A 53 -0.570 4.056 -1.189 1.00 0.00 C ATOM 98 C VAL A 53 -1.841 3.249 -1.366 1.00 0.00 C ATOM 99 O VAL A 53 -1.803 2.023 -1.246 1.00 0.00 O ATOM 100 CB VAL A 53 -0.597 5.110 -0.051 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.404 4.776 1.196 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.817 5.426 0.441 1.00 0.00 C ATOM 0 H VAL A 53 -0.371 5.765 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 53 0.216 3.353 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.094 5.946 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.334 5.600 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.448 4.620 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.009 3.869 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.768 6.168 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.282 4.516 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.410 5.820 -0.384 1.00 0.00 H new ATOM 112 N ASP A 54 -2.956 3.912 -1.663 1.00 0.00 N ATOM 113 CA ASP A 54 -4.241 3.256 -1.831 1.00 0.00 C ATOM 114 C ASP A 54 -4.229 2.223 -2.955 1.00 0.00 C ATOM 115 O ASP A 54 -4.665 1.095 -2.730 1.00 0.00 O ATOM 116 CB ASP A 54 -5.370 4.281 -1.919 1.00 0.00 C ATOM 117 CG ASP A 54 -5.629 4.903 -3.283 1.00 0.00 C ATOM 118 OD1 ASP A 54 -6.085 4.177 -4.179 1.00 0.00 O ATOM 119 OD2 ASP A 54 -5.561 6.150 -3.378 1.00 0.00 O ATOM 0 H ASP A 54 -2.989 4.923 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.443 2.667 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.290 3.802 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.154 5.085 -1.215 1.00 0.00 H new ATOM 124 N LYS A 55 -3.638 2.523 -4.114 1.00 0.00 N ATOM 125 CA LYS A 55 -3.588 1.577 -5.218 1.00 0.00 C ATOM 126 C LYS A 55 -2.791 0.352 -4.811 1.00 0.00 C ATOM 127 O LYS A 55 -3.259 -0.772 -5.035 1.00 0.00 O ATOM 128 CB LYS A 55 -3.017 2.254 -6.452 1.00 0.00 C ATOM 129 CG LYS A 55 -4.125 3.054 -7.148 1.00 0.00 C ATOM 130 CD LYS A 55 -3.590 3.783 -8.388 1.00 0.00 C ATOM 131 CE LYS A 55 -3.017 2.773 -9.397 1.00 0.00 C ATOM 132 NZ LYS A 55 -2.633 3.377 -10.686 1.00 0.00 N ATOM 0 H LYS A 55 -3.188 3.418 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.595 1.242 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.196 2.915 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.608 1.508 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.934 2.383 -7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.546 3.778 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.391 4.358 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.817 4.493 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.144 2.289 -8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.757 1.993 -9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.256 2.640 -11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.467 3.815 -11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.905 4.102 -10.526 1.00 0.00 H new ATOM 146 N THR A 56 -1.616 0.552 -4.208 1.00 0.00 N ATOM 147 CA THR A 56 -0.825 -0.572 -3.744 1.00 0.00 C ATOM 148 C THR A 56 -1.648 -1.373 -2.718 1.00 0.00 C ATOM 149 O THR A 56 -1.656 -2.604 -2.790 1.00 0.00 O ATOM 150 CB THR A 56 0.515 -0.065 -3.200 1.00 0.00 C ATOM 151 OG1 THR A 56 1.208 0.549 -4.267 1.00 0.00 O ATOM 152 CG2 THR A 56 1.358 -1.221 -2.644 1.00 0.00 C ATOM 0 H THR A 56 -1.203 1.469 -4.035 1.00 0.00 H new ATOM 0 HA THR A 56 -0.586 -1.254 -4.560 1.00 0.00 H new ATOM 0 HB THR A 56 0.336 0.640 -2.388 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.932 1.486 -4.340 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.303 -0.832 -2.265 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.816 -1.710 -1.835 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.554 -1.942 -3.437 1.00 0.00 H new ATOM 160 N ALA A 57 -2.367 -0.707 -1.796 1.00 0.00 N ATOM 161 CA ALA A 57 -3.177 -1.402 -0.803 1.00 0.00 C ATOM 162 C ALA A 57 -4.229 -2.248 -1.506 1.00 0.00 C ATOM 163 O ALA A 57 -4.335 -3.408 -1.151 1.00 0.00 O ATOM 164 CB ALA A 57 -3.842 -0.478 0.219 1.00 0.00 C ATOM 0 H ALA A 57 -2.398 0.310 -1.726 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.493 -2.031 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.426 -1.073 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.076 0.076 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.499 0.222 -0.297 1.00 0.00 H new ATOM 170 N SER A 58 -4.954 -1.749 -2.506 1.00 0.00 N ATOM 171 CA SER A 58 -5.970 -2.530 -3.209 1.00 0.00 C ATOM 172 C SER A 58 -5.427 -3.921 -3.580 1.00 0.00 C ATOM 173 O SER A 58 -5.990 -4.936 -3.178 1.00 0.00 O ATOM 174 CB SER A 58 -6.452 -1.751 -4.438 1.00 0.00 C ATOM 175 OG SER A 58 -7.520 -2.418 -5.072 1.00 0.00 O ATOM 0 H SER A 58 -4.854 -0.794 -2.851 1.00 0.00 H new ATOM 0 HA SER A 58 -6.826 -2.692 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.769 -0.752 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.628 -1.627 -5.140 1.00 0.00 H new ATOM 0 HG SER A 58 -8.344 -2.276 -4.561 1.00 0.00 H new ATOM 181 N PHE A 59 -4.284 -4.002 -4.264 1.00 0.00 N ATOM 182 CA PHE A 59 -3.705 -5.284 -4.661 1.00 0.00 C ATOM 183 C PHE A 59 -3.329 -6.157 -3.461 1.00 0.00 C ATOM 184 O PHE A 59 -3.607 -7.358 -3.463 1.00 0.00 O ATOM 185 CB PHE A 59 -2.485 -5.025 -5.538 1.00 0.00 C ATOM 186 CG PHE A 59 -2.044 -6.233 -6.337 1.00 0.00 C ATOM 187 CD1 PHE A 59 -1.185 -7.193 -5.768 1.00 0.00 C ATOM 188 CD2 PHE A 59 -2.532 -6.419 -7.644 1.00 0.00 C ATOM 189 CE1 PHE A 59 -0.830 -8.337 -6.503 1.00 0.00 C ATOM 190 CE2 PHE A 59 -2.158 -7.554 -8.382 1.00 0.00 C ATOM 191 CZ PHE A 59 -1.316 -8.521 -7.808 1.00 0.00 C ATOM 0 H PHE A 59 -3.740 -3.190 -4.555 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.460 -5.838 -5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.708 -4.208 -6.224 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.659 -4.695 -4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.800 -7.050 -4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.196 -5.687 -8.080 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.180 -9.079 -6.062 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.518 -7.683 -9.392 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.043 -9.403 -8.368 1.00 0.00 H new ATOM 201 N VAL A 60 -2.669 -5.571 -2.460 1.00 0.00 N ATOM 202 CA VAL A 60 -2.244 -6.248 -1.233 1.00 0.00 C ATOM 203 C VAL A 60 -3.469 -6.764 -0.462 1.00 0.00 C ATOM 204 O VAL A 60 -3.413 -7.820 0.153 1.00 0.00 O ATOM 205 CB VAL A 60 -1.301 -5.315 -0.458 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.933 -5.871 0.919 1.00 0.00 C ATOM 207 CG2 VAL A 60 0.000 -5.099 -1.250 1.00 0.00 C ATOM 0 H VAL A 60 -2.408 -4.585 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.664 -7.147 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.836 -4.375 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.265 -5.175 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.838 -6.003 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.433 -6.832 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.660 -4.436 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.495 -6.058 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.232 -4.650 -2.216 1.00 0.00 H new ATOM 217 N ALA A 61 -4.594 -6.068 -0.541 1.00 0.00 N ATOM 218 CA ALA A 61 -5.835 -6.418 0.110 1.00 0.00 C ATOM 219 C ALA A 61 -6.471 -7.583 -0.644 1.00 0.00 C ATOM 220 O ALA A 61 -6.983 -8.510 -0.026 1.00 0.00 O ATOM 221 CB ALA A 61 -6.729 -5.172 0.109 1.00 0.00 C ATOM 0 H ALA A 61 -4.663 -5.208 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.682 -6.736 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.677 -5.404 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.231 -4.367 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.915 -4.859 -0.918 1.00 0.00 H new ATOM 227 N ARG A 62 -6.415 -7.559 -1.980 1.00 0.00 N ATOM 228 CA ARG A 62 -7.004 -8.617 -2.787 1.00 0.00 C ATOM 229 C ARG A 62 -6.236 -9.929 -2.713 1.00 0.00 C ATOM 230 O ARG A 62 -6.839 -10.996 -2.624 1.00 0.00 O ATOM 231 CB ARG A 62 -7.120 -8.137 -4.237 1.00 0.00 C ATOM 232 CG ARG A 62 -8.206 -7.062 -4.361 1.00 0.00 C ATOM 233 CD ARG A 62 -8.797 -7.035 -5.763 1.00 0.00 C ATOM 234 NE ARG A 62 -9.933 -6.091 -5.863 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.969 -6.195 -6.709 1.00 0.00 C ATOM 236 NH1 ARG A 62 -11.129 -7.310 -7.419 1.00 0.00 N ATOM 237 NH2 ARG A 62 -11.839 -5.198 -6.855 1.00 0.00 N ATOM 0 H ARG A 62 -5.967 -6.817 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.993 -8.829 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.163 -7.736 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.357 -8.979 -4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.996 -7.254 -3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.784 -6.086 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.024 -6.751 -6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.131 -8.036 -6.036 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.928 -5.290 -5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.466 -8.079 -7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.915 -7.396 -8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.724 -4.338 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.621 -5.294 -7.503 1.00 0.00 H new ATOM 251 N ASN A 63 -4.914 -9.864 -2.810 1.00 0.00 N ATOM 252 CA ASN A 63 -4.064 -11.063 -2.776 1.00 0.00 C ATOM 253 C ASN A 63 -3.747 -11.519 -1.352 1.00 0.00 C ATOM 254 O ASN A 63 -3.832 -12.709 -1.061 1.00 0.00 O ATOM 255 CB ASN A 63 -2.727 -10.836 -3.493 1.00 0.00 C ATOM 256 CG ASN A 63 -2.828 -10.666 -5.000 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.347 -11.491 -5.772 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.412 -9.568 -5.450 1.00 0.00 N ATOM 0 H ASN A 63 -4.398 -8.990 -2.914 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.643 -11.833 -3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.253 -9.949 -3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.070 -11.679 -3.281 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.469 -9.395 -6.454 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.806 -8.894 -4.793 1.00 0.00 H new ATOM 265 N GLY A 64 -3.388 -10.592 -0.464 1.00 0.00 N ATOM 266 CA GLY A 64 -3.043 -10.859 0.923 1.00 0.00 C ATOM 267 C GLY A 64 -1.816 -10.048 1.362 1.00 0.00 C ATOM 268 O GLY A 64 -1.086 -9.508 0.518 1.00 0.00 O ATOM 0 H GLY A 64 -3.329 -9.602 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.890 -10.615 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.843 -11.923 1.051 1.00 0.00 H new ATOM 272 N PRO A 65 -1.541 -9.985 2.681 1.00 0.00 N ATOM 273 CA PRO A 65 -0.412 -9.243 3.257 1.00 0.00 C ATOM 274 C PRO A 65 0.945 -9.747 2.769 1.00 0.00 C ATOM 275 O PRO A 65 1.954 -9.061 2.948 1.00 0.00 O ATOM 276 CB PRO A 65 -0.560 -9.365 4.773 1.00 0.00 C ATOM 277 CG PRO A 65 -1.424 -10.608 4.963 1.00 0.00 C ATOM 278 CD PRO A 65 -2.329 -10.604 3.735 1.00 0.00 C ATOM 0 HA PRO A 65 -0.438 -8.201 2.938 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.409 -9.474 5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.034 -8.481 5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.819 -11.513 5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.001 -10.559 5.887 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.626 -11.617 3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.245 -10.043 3.923 1.00 0.00 H new ATOM 286 N GLU A 66 0.985 -10.916 2.133 1.00 0.00 N ATOM 287 CA GLU A 66 2.204 -11.477 1.590 1.00 0.00 C ATOM 288 C GLU A 66 2.776 -10.523 0.536 1.00 0.00 C ATOM 289 O GLU A 66 3.997 -10.393 0.412 1.00 0.00 O ATOM 290 CB GLU A 66 1.900 -12.854 0.983 1.00 0.00 C ATOM 291 CG GLU A 66 0.924 -12.854 -0.208 1.00 0.00 C ATOM 292 CD GLU A 66 0.815 -14.260 -0.779 1.00 0.00 C ATOM 293 OE1 GLU A 66 0.333 -15.138 -0.038 1.00 0.00 O ATOM 294 OE2 GLU A 66 1.325 -14.495 -1.899 1.00 0.00 O ATOM 0 H GLU A 66 0.162 -11.499 1.983 1.00 0.00 H new ATOM 0 HA GLU A 66 2.946 -11.603 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.839 -13.305 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.491 -13.494 1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.057 -12.504 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.273 -12.164 -0.977 1.00 0.00 H new ATOM 301 N PHE A 67 1.897 -9.843 -0.213 1.00 0.00 N ATOM 302 CA PHE A 67 2.301 -8.914 -1.247 1.00 0.00 C ATOM 303 C PHE A 67 2.879 -7.651 -0.652 1.00 0.00 C ATOM 304 O PHE A 67 3.681 -6.997 -1.306 1.00 0.00 O ATOM 305 CB PHE A 67 1.168 -8.607 -2.223 1.00 0.00 C ATOM 306 CG PHE A 67 1.256 -9.512 -3.418 1.00 0.00 C ATOM 307 CD1 PHE A 67 2.146 -9.194 -4.460 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.540 -10.715 -3.436 1.00 0.00 C ATOM 309 CE1 PHE A 67 2.294 -10.064 -5.550 1.00 0.00 C ATOM 310 CE2 PHE A 67 0.677 -11.579 -4.534 1.00 0.00 C ATOM 311 CZ PHE A 67 1.548 -11.253 -5.594 1.00 0.00 C ATOM 0 H PHE A 67 0.886 -9.930 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 67 3.087 -9.401 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.206 -8.738 -1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.224 -7.566 -2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.717 -8.278 -4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.111 -10.975 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.977 -9.821 -6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.112 -12.499 -4.567 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.641 -11.918 -6.440 1.00 0.00 H new ATOM 321 N GLU A 68 2.481 -7.293 0.565 1.00 0.00 N ATOM 322 CA GLU A 68 3.001 -6.108 1.210 1.00 0.00 C ATOM 323 C GLU A 68 4.499 -6.306 1.409 1.00 0.00 C ATOM 324 O GLU A 68 5.288 -5.414 1.112 1.00 0.00 O ATOM 325 CB GLU A 68 2.300 -5.928 2.563 1.00 0.00 C ATOM 326 CG GLU A 68 2.557 -4.558 3.178 1.00 0.00 C ATOM 327 CD GLU A 68 1.869 -4.368 4.530 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.784 -4.945 4.774 1.00 0.00 O ATOM 329 OE2 GLU A 68 2.420 -3.629 5.372 1.00 0.00 O ATOM 0 H GLU A 68 1.799 -7.812 1.119 1.00 0.00 H new ATOM 0 HA GLU A 68 2.823 -5.219 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.227 -6.069 2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.642 -6.701 3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.631 -4.417 3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.211 -3.787 2.490 1.00 0.00 H new ATOM 336 N ALA A 69 4.877 -7.487 1.905 1.00 0.00 N ATOM 337 CA ALA A 69 6.259 -7.833 2.166 1.00 0.00 C ATOM 338 C ALA A 69 7.010 -8.042 0.856 1.00 0.00 C ATOM 339 O ALA A 69 8.142 -7.584 0.729 1.00 0.00 O ATOM 340 CB ALA A 69 6.327 -9.103 3.019 1.00 0.00 C ATOM 0 H ALA A 69 4.218 -8.231 2.136 1.00 0.00 H new ATOM 0 HA ALA A 69 6.729 -7.013 2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.369 -9.357 3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.814 -8.933 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.846 -9.924 2.488 1.00 0.00 H new ATOM 346 N ARG A 70 6.402 -8.738 -0.112 1.00 0.00 N ATOM 347 CA ARG A 70 7.018 -9.003 -1.406 1.00 0.00 C ATOM 348 C ARG A 70 7.356 -7.695 -2.099 1.00 0.00 C ATOM 349 O ARG A 70 8.520 -7.453 -2.402 1.00 0.00 O ATOM 350 CB ARG A 70 6.075 -9.815 -2.290 1.00 0.00 C ATOM 351 CG ARG A 70 6.154 -11.329 -2.069 1.00 0.00 C ATOM 352 CD ARG A 70 4.857 -11.947 -2.605 1.00 0.00 C ATOM 353 NE ARG A 70 4.896 -13.418 -2.705 1.00 0.00 N ATOM 354 CZ ARG A 70 5.488 -14.130 -3.674 1.00 0.00 C ATOM 355 NH1 ARG A 70 6.177 -13.537 -4.637 1.00 0.00 N ATOM 356 NH2 ARG A 70 5.379 -15.448 -3.684 1.00 0.00 N ATOM 0 H ARG A 70 5.466 -9.132 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 70 7.932 -9.574 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.052 -9.486 -2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.299 -9.600 -3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.018 -11.746 -2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.276 -11.555 -1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.032 -11.658 -1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.647 -11.531 -3.590 1.00 0.00 H new ATOM 0 HE ARG A 70 4.428 -13.943 -1.967 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.264 -12.521 -4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.620 -14.096 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.845 -15.921 -2.955 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.829 -15.991 -4.421 1.00 0.00 H new ATOM 370 N ILE A 71 6.349 -6.859 -2.345 1.00 0.00 N ATOM 371 CA ILE A 71 6.527 -5.589 -3.031 1.00 0.00 C ATOM 372 C ILE A 71 7.532 -4.733 -2.264 1.00 0.00 C ATOM 373 O ILE A 71 8.450 -4.190 -2.880 1.00 0.00 O ATOM 374 CB ILE A 71 5.169 -4.887 -3.256 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.218 -5.738 -4.133 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.393 -3.538 -3.957 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.749 -5.313 -4.001 1.00 0.00 C ATOM 0 H ILE A 71 5.385 -7.048 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 71 6.939 -5.759 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 71 4.711 -4.746 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.523 -5.657 -5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.315 -6.787 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.433 -3.046 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.028 -2.906 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.877 -3.704 -4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.129 -5.944 -4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.431 -5.420 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.642 -4.272 -4.307 1.00 0.00 H new ATOM 389 N ARG A 72 7.390 -4.624 -0.937 1.00 0.00 N ATOM 390 CA ARG A 72 8.304 -3.823 -0.136 1.00 0.00 C ATOM 391 C ARG A 72 9.734 -4.297 -0.306 1.00 0.00 C ATOM 392 O ARG A 72 10.609 -3.461 -0.462 1.00 0.00 O ATOM 393 CB ARG A 72 7.887 -3.854 1.336 1.00 0.00 C ATOM 394 CG ARG A 72 8.696 -2.868 2.180 1.00 0.00 C ATOM 395 CD ARG A 72 8.084 -2.753 3.576 1.00 0.00 C ATOM 396 NE ARG A 72 8.588 -3.759 4.517 1.00 0.00 N ATOM 397 CZ ARG A 72 8.195 -3.837 5.792 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.260 -3.012 6.262 1.00 0.00 N ATOM 399 NH2 ARG A 72 8.742 -4.743 6.590 1.00 0.00 N ATOM 0 H ARG A 72 6.651 -5.082 -0.403 1.00 0.00 H new ATOM 0 HA ARG A 72 8.254 -2.792 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.826 -3.616 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.019 -4.862 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.731 -3.203 2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.711 -1.890 1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.289 -1.759 3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.001 -2.848 3.499 1.00 0.00 H new ATOM 0 HE ARG A 72 9.274 -4.434 4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.839 -2.315 5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.965 -3.077 7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.458 -5.374 6.230 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.447 -4.809 7.564 1.00 0.00 H new ATOM 413 N GLN A 73 9.980 -5.604 -0.268 1.00 0.00 N ATOM 414 CA GLN A 73 11.312 -6.160 -0.410 1.00 0.00 C ATOM 415 C GLN A 73 11.861 -5.993 -1.820 1.00 0.00 C ATOM 416 O GLN A 73 13.054 -5.739 -1.981 1.00 0.00 O ATOM 417 CB GLN A 73 11.281 -7.649 -0.040 1.00 0.00 C ATOM 418 CG GLN A 73 12.674 -8.267 0.127 1.00 0.00 C ATOM 419 CD GLN A 73 13.533 -7.494 1.120 1.00 0.00 C ATOM 420 OE1 GLN A 73 13.457 -7.702 2.325 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.350 -6.569 0.641 1.00 0.00 N ATOM 0 H GLN A 73 9.253 -6.307 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 73 11.974 -5.614 0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.724 -7.773 0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.740 -8.196 -0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.574 -9.299 0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.176 -8.294 -0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.403 -6.407 -0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.927 -6.019 1.278 1.00 0.00 H new ATOM 430 N ASN A 74 11.008 -6.137 -2.831 1.00 0.00 N ATOM 431 CA ASN A 74 11.421 -6.021 -4.221 1.00 0.00 C ATOM 432 C ASN A 74 11.812 -4.601 -4.589 1.00 0.00 C ATOM 433 O ASN A 74 12.770 -4.410 -5.336 1.00 0.00 O ATOM 434 CB ASN A 74 10.309 -6.477 -5.179 1.00 0.00 C ATOM 435 CG ASN A 74 10.195 -7.988 -5.215 1.00 0.00 C ATOM 436 OD1 ASN A 74 11.202 -8.678 -5.357 1.00 0.00 O ATOM 437 ND2 ASN A 74 9.000 -8.530 -5.095 1.00 0.00 N ATOM 0 H ASN A 74 10.015 -6.337 -2.707 1.00 0.00 H new ATOM 0 HA ASN A 74 12.291 -6.669 -4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.358 -6.046 -4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.514 -6.102 -6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.895 -9.544 -5.119 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.180 -7.935 -4.978 1.00 0.00 H new ATOM 444 N GLU A 75 11.115 -3.610 -4.036 1.00 0.00 N ATOM 445 CA GLU A 75 11.326 -2.190 -4.294 1.00 0.00 C ATOM 446 C GLU A 75 11.871 -1.461 -3.060 1.00 0.00 C ATOM 447 O GLU A 75 11.717 -0.249 -2.900 1.00 0.00 O ATOM 448 CB GLU A 75 10.021 -1.602 -4.840 1.00 0.00 C ATOM 449 CG GLU A 75 9.623 -2.219 -6.192 1.00 0.00 C ATOM 450 CD GLU A 75 10.564 -1.784 -7.316 1.00 0.00 C ATOM 451 OE1 GLU A 75 10.313 -0.718 -7.919 1.00 0.00 O ATOM 452 OE2 GLU A 75 11.509 -2.534 -7.651 1.00 0.00 O ATOM 0 H GLU A 75 10.360 -3.782 -3.372 1.00 0.00 H new ATOM 0 HA GLU A 75 12.100 -2.052 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.221 -1.767 -4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.131 -0.523 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.632 -3.306 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.603 -1.926 -6.439 1.00 0.00 H new ATOM 459 N ILE A 76 12.574 -2.194 -2.195 1.00 0.00 N ATOM 460 CA ILE A 76 13.195 -1.719 -0.956 1.00 0.00 C ATOM 461 C ILE A 76 14.289 -0.666 -1.205 1.00 0.00 C ATOM 462 O ILE A 76 14.878 -0.094 -0.281 1.00 0.00 O ATOM 463 CB ILE A 76 13.766 -2.964 -0.243 1.00 0.00 C ATOM 464 CG1 ILE A 76 13.915 -2.765 1.278 1.00 0.00 C ATOM 465 CG2 ILE A 76 15.039 -3.476 -0.955 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.561 -2.790 1.999 1.00 0.00 C ATOM 0 H ILE A 76 12.735 -3.190 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 76 12.452 -1.214 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 76 13.034 -3.767 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.556 -3.547 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.411 -1.814 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.420 -4.353 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.798 -3.743 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.798 -2.693 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.715 -2.646 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.928 -1.991 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.076 -3.751 1.829 1.00 0.00 H new ATOM 478 N ASN A 77 14.605 -0.449 -2.476 1.00 0.00 N ATOM 479 CA ASN A 77 15.606 0.462 -2.977 1.00 0.00 C ATOM 480 C ASN A 77 15.005 1.696 -3.642 1.00 0.00 C ATOM 481 O ASN A 77 15.766 2.481 -4.206 1.00 0.00 O ATOM 482 CB ASN A 77 16.469 -0.323 -3.977 1.00 0.00 C ATOM 483 CG ASN A 77 17.942 -0.123 -3.726 1.00 0.00 C ATOM 484 OD1 ASN A 77 18.679 0.306 -4.606 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.414 -0.530 -2.560 1.00 0.00 N ATOM 0 H ASN A 77 14.130 -0.944 -3.231 1.00 0.00 H new ATOM 0 HA ASN A 77 16.199 0.837 -2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.230 -1.384 -3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 77 16.227 -0.007 -4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 77 19.416 -0.492 -2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 77 17.776 -0.882 -1.846 1.00 0.00 H new ATOM 492 N ASN A 78 13.682 1.896 -3.589 1.00 0.00 N ATOM 493 CA ASN A 78 13.018 3.035 -4.216 1.00 0.00 C ATOM 494 C ASN A 78 12.127 3.773 -3.231 1.00 0.00 C ATOM 495 O ASN A 78 11.272 3.150 -2.594 1.00 0.00 O ATOM 496 CB ASN A 78 12.166 2.558 -5.401 1.00 0.00 C ATOM 497 CG ASN A 78 13.032 2.312 -6.618 1.00 0.00 C ATOM 498 OD1 ASN A 78 13.812 1.370 -6.650 1.00 0.00 O ATOM 499 ND2 ASN A 78 12.941 3.165 -7.619 1.00 0.00 N ATOM 0 H ASN A 78 13.042 1.265 -3.106 1.00 0.00 H new ATOM 0 HA ASN A 78 13.793 3.719 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.640 1.642 -5.132 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.407 3.305 -5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.529 3.047 -8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.283 3.942 -7.568 1.00 0.00 H new ATOM 506 N PRO A 79 12.247 5.110 -3.150 1.00 0.00 N ATOM 507 CA PRO A 79 11.435 5.916 -2.255 1.00 0.00 C ATOM 508 C PRO A 79 9.960 5.860 -2.676 1.00 0.00 C ATOM 509 O PRO A 79 9.078 6.051 -1.841 1.00 0.00 O ATOM 510 CB PRO A 79 12.066 7.307 -2.260 1.00 0.00 C ATOM 511 CG PRO A 79 12.778 7.379 -3.608 1.00 0.00 C ATOM 512 CD PRO A 79 13.199 5.945 -3.862 1.00 0.00 C ATOM 0 HA PRO A 79 11.422 5.549 -1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.312 8.088 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.764 7.433 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.117 7.748 -4.392 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.637 8.049 -3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.192 5.721 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.214 5.769 -3.506 1.00 0.00 H new ATOM 520 N LYS A 80 9.671 5.503 -3.934 1.00 0.00 N ATOM 521 CA LYS A 80 8.327 5.357 -4.479 1.00 0.00 C ATOM 522 C LYS A 80 7.519 4.347 -3.668 1.00 0.00 C ATOM 523 O LYS A 80 6.304 4.495 -3.590 1.00 0.00 O ATOM 524 CB LYS A 80 8.444 4.834 -5.922 1.00 0.00 C ATOM 525 CG LYS A 80 8.430 5.945 -6.972 1.00 0.00 C ATOM 526 CD LYS A 80 7.040 6.139 -7.580 1.00 0.00 C ATOM 527 CE LYS A 80 7.147 7.175 -8.699 1.00 0.00 C ATOM 528 NZ LYS A 80 6.026 7.083 -9.644 1.00 0.00 N ATOM 0 H LYS A 80 10.398 5.302 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 80 7.824 6.323 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.367 4.263 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.621 4.147 -6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.760 6.879 -6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.142 5.706 -7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.661 5.195 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.336 6.474 -6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.175 8.175 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.085 7.034 -9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.138 7.803 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.014 6.138 -10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.132 7.243 -9.138 1.00 0.00 H new ATOM 542 N PHE A 81 8.175 3.357 -3.059 1.00 0.00 N ATOM 543 CA PHE A 81 7.562 2.298 -2.269 1.00 0.00 C ATOM 544 C PHE A 81 7.889 2.405 -0.782 1.00 0.00 C ATOM 545 O PHE A 81 7.479 1.536 -0.011 1.00 0.00 O ATOM 546 CB PHE A 81 8.048 0.959 -2.825 1.00 0.00 C ATOM 547 CG PHE A 81 7.586 0.663 -4.243 1.00 0.00 C ATOM 548 CD1 PHE A 81 8.257 1.223 -5.347 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.496 -0.199 -4.462 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.848 0.918 -6.655 1.00 0.00 C ATOM 551 CE2 PHE A 81 6.099 -0.521 -5.774 1.00 0.00 C ATOM 552 CZ PHE A 81 6.772 0.044 -6.871 1.00 0.00 C ATOM 0 H PHE A 81 9.190 3.272 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 81 6.478 2.387 -2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.138 0.943 -2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.702 0.160 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.091 1.891 -5.187 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.962 -0.615 -3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.363 1.357 -7.497 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.277 -1.202 -5.937 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.462 -0.194 -7.878 1.00 0.00 H new ATOM 562 N ASN A 82 8.610 3.444 -0.352 1.00 0.00 N ATOM 563 CA ASN A 82 8.968 3.620 1.050 1.00 0.00 C ATOM 564 C ASN A 82 7.742 3.675 1.956 1.00 0.00 C ATOM 565 O ASN A 82 7.858 3.312 3.120 1.00 0.00 O ATOM 566 CB ASN A 82 9.844 4.862 1.233 1.00 0.00 C ATOM 567 CG ASN A 82 11.329 4.574 1.103 1.00 0.00 C ATOM 568 OD1 ASN A 82 11.768 3.536 0.613 1.00 0.00 O ATOM 569 ND2 ASN A 82 12.161 5.520 1.472 1.00 0.00 N ATOM 0 H ASN A 82 8.958 4.181 -0.965 1.00 0.00 H new ATOM 0 HA ASN A 82 9.543 2.744 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.560 5.611 0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.649 5.294 2.215 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.166 5.391 1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.803 6.384 1.879 1.00 0.00 H new ATOM 576 N PHE A 83 6.561 4.044 1.445 1.00 0.00 N ATOM 577 CA PHE A 83 5.334 4.100 2.238 1.00 0.00 C ATOM 578 C PHE A 83 5.002 2.724 2.844 1.00 0.00 C ATOM 579 O PHE A 83 4.255 2.643 3.822 1.00 0.00 O ATOM 580 CB PHE A 83 4.171 4.638 1.384 1.00 0.00 C ATOM 581 CG PHE A 83 3.745 3.733 0.237 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.911 2.624 0.486 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.183 3.978 -1.080 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.570 1.748 -0.556 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.872 3.080 -2.107 1.00 0.00 C ATOM 586 CZ PHE A 83 3.081 1.960 -1.843 1.00 0.00 C ATOM 0 H PHE A 83 6.433 4.312 0.469 1.00 0.00 H new ATOM 0 HA PHE A 83 5.489 4.788 3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.311 4.807 2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.458 5.607 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.533 2.448 1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.762 4.864 -1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.914 0.911 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.244 3.253 -3.106 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.863 1.256 -2.632 1.00 0.00 H new ATOM 596 N LEU A 84 5.527 1.638 2.261 1.00 0.00 N ATOM 597 CA LEU A 84 5.309 0.282 2.742 1.00 0.00 C ATOM 598 C LEU A 84 6.082 0.027 4.037 1.00 0.00 C ATOM 599 O LEU A 84 5.779 -0.932 4.754 1.00 0.00 O ATOM 600 CB LEU A 84 5.713 -0.740 1.668 1.00 0.00 C ATOM 601 CG LEU A 84 4.774 -0.773 0.454 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.335 -1.702 -0.623 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.383 -1.265 0.863 1.00 0.00 C ATOM 0 H LEU A 84 6.121 1.685 1.433 1.00 0.00 H new ATOM 0 HA LEU A 84 4.246 0.166 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.723 -0.514 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.743 -1.732 2.118 1.00 0.00 H new ATOM 0 HG LEU A 84 4.696 0.240 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.660 -1.717 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.314 -1.343 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.432 -2.710 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.731 -1.282 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.460 -2.270 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.966 -0.594 1.614 1.00 0.00 H new ATOM 615 N ASN A 85 7.105 0.828 4.329 1.00 0.00 N ATOM 616 CA ASN A 85 7.908 0.724 5.538 1.00 0.00 C ATOM 617 C ASN A 85 7.350 1.646 6.620 1.00 0.00 C ATOM 618 O ASN A 85 6.816 2.709 6.319 1.00 0.00 O ATOM 619 CB ASN A 85 9.364 1.115 5.290 1.00 0.00 C ATOM 620 CG ASN A 85 10.151 -0.078 4.814 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.499 -0.950 5.608 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.366 -0.179 3.519 1.00 0.00 N ATOM 0 H ASN A 85 7.403 1.585 3.714 1.00 0.00 H new ATOM 0 HA ASN A 85 7.868 -0.318 5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.413 1.911 4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.804 1.507 6.207 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.836 -1.002 3.143 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.062 0.566 2.892 1.00 0.00 H new ATOM 629 N PRO A 86 7.551 1.297 7.898 1.00 0.00 N ATOM 630 CA PRO A 86 7.086 2.068 9.045 1.00 0.00 C ATOM 631 C PRO A 86 7.836 3.388 9.233 1.00 0.00 C ATOM 632 O PRO A 86 7.434 4.205 10.058 1.00 0.00 O ATOM 633 CB PRO A 86 7.317 1.155 10.250 1.00 0.00 C ATOM 634 CG PRO A 86 8.447 0.235 9.806 1.00 0.00 C ATOM 635 CD PRO A 86 8.187 0.070 8.320 1.00 0.00 C ATOM 0 HA PRO A 86 6.043 2.354 8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.593 1.726 11.136 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.419 0.591 10.501 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.425 0.675 9.998 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.419 -0.721 10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.116 -0.097 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.546 -0.790 8.127 1.00 0.00 H new ATOM 643 N ASN A 87 8.933 3.594 8.505 1.00 0.00 N ATOM 644 CA ASN A 87 9.745 4.801 8.582 1.00 0.00 C ATOM 645 C ASN A 87 9.033 5.976 7.904 1.00 0.00 C ATOM 646 O ASN A 87 9.345 7.132 8.184 1.00 0.00 O ATOM 647 CB ASN A 87 11.121 4.548 7.948 1.00 0.00 C ATOM 648 CG ASN A 87 11.875 3.432 8.653 1.00 0.00 C ATOM 649 OD1 ASN A 87 12.432 3.629 9.725 1.00 0.00 O ATOM 650 ND2 ASN A 87 11.871 2.220 8.123 1.00 0.00 N ATOM 0 H ASN A 87 9.286 2.912 7.834 1.00 0.00 H new ATOM 0 HA ASN A 87 9.891 5.062 9.630 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.994 4.292 6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.711 5.464 7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.332 1.450 8.608 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.407 2.056 7.230 1.00 0.00 H new ATOM 657 N ASP A 88 8.083 5.710 7.004 1.00 0.00 N ATOM 658 CA ASP A 88 7.333 6.752 6.310 1.00 0.00 C ATOM 659 C ASP A 88 6.063 7.050 7.112 1.00 0.00 C ATOM 660 O ASP A 88 5.495 6.156 7.743 1.00 0.00 O ATOM 661 CB ASP A 88 7.021 6.320 4.871 1.00 0.00 C ATOM 662 CG ASP A 88 7.971 6.995 3.872 1.00 0.00 C ATOM 663 OD1 ASP A 88 9.204 6.985 4.103 1.00 0.00 O ATOM 664 OD2 ASP A 88 7.485 7.572 2.868 1.00 0.00 O ATOM 0 H ASP A 88 7.814 4.763 6.738 1.00 0.00 H new ATOM 0 HA ASP A 88 7.924 7.665 6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.109 5.237 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.990 6.576 4.627 1.00 0.00 H new ATOM 669 N PRO A 89 5.576 8.298 7.115 1.00 0.00 N ATOM 670 CA PRO A 89 4.388 8.681 7.860 1.00 0.00 C ATOM 671 C PRO A 89 3.115 8.122 7.229 1.00 0.00 C ATOM 672 O PRO A 89 2.167 7.783 7.940 1.00 0.00 O ATOM 673 CB PRO A 89 4.401 10.208 7.864 1.00 0.00 C ATOM 674 CG PRO A 89 5.230 10.603 6.646 1.00 0.00 C ATOM 675 CD PRO A 89 6.145 9.419 6.403 1.00 0.00 C ATOM 0 HA PRO A 89 4.397 8.275 8.872 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.390 10.611 7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.841 10.596 8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.596 10.797 5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.801 11.513 6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.221 9.202 5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.154 9.631 6.758 1.00 0.00 H new ATOM 683 N TYR A 90 3.088 8.005 5.899 1.00 0.00 N ATOM 684 CA TYR A 90 1.944 7.499 5.151 1.00 0.00 C ATOM 685 C TYR A 90 1.679 6.028 5.442 1.00 0.00 C ATOM 686 O TYR A 90 0.598 5.546 5.117 1.00 0.00 O ATOM 687 CB TYR A 90 2.139 7.741 3.650 1.00 0.00 C ATOM 688 CG TYR A 90 1.985 9.203 3.282 1.00 0.00 C ATOM 689 CD1 TYR A 90 3.025 10.117 3.545 1.00 0.00 C ATOM 690 CD2 TYR A 90 0.770 9.661 2.739 1.00 0.00 C ATOM 691 CE1 TYR A 90 2.844 11.487 3.299 1.00 0.00 C ATOM 692 CE2 TYR A 90 0.599 11.026 2.460 1.00 0.00 C ATOM 693 CZ TYR A 90 1.628 11.946 2.746 1.00 0.00 C ATOM 694 OH TYR A 90 1.439 13.261 2.467 1.00 0.00 O ATOM 0 H TYR A 90 3.876 8.265 5.306 1.00 0.00 H new ATOM 0 HA TYR A 90 1.062 8.050 5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 90 3.129 7.396 3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.414 7.149 3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.966 9.761 3.938 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.029 8.963 2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.632 12.188 3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.326 11.373 2.024 1.00 0.00 H new ATOM 0 HH TYR A 90 0.543 13.390 2.091 1.00 0.00 H new ATOM 704 N HIS A 91 2.618 5.333 6.083 1.00 0.00 N ATOM 705 CA HIS A 91 2.470 3.936 6.427 1.00 0.00 C ATOM 706 C HIS A 91 1.214 3.718 7.274 1.00 0.00 C ATOM 707 O HIS A 91 0.415 2.840 6.964 1.00 0.00 O ATOM 708 CB HIS A 91 3.735 3.494 7.150 1.00 0.00 C ATOM 709 CG HIS A 91 3.728 2.023 7.465 1.00 0.00 C ATOM 710 ND1 HIS A 91 4.028 1.028 6.569 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.375 1.431 8.647 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.911 -0.146 7.211 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.517 0.050 8.483 1.00 0.00 N ATOM 0 H HIS A 91 3.508 5.736 6.377 1.00 0.00 H new ATOM 0 HA HIS A 91 2.342 3.331 5.530 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.603 3.727 6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.839 4.061 8.075 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.292 1.157 5.592 1.00 0.00 H new ATOM 0 HD2 HIS A 91 3.047 1.938 9.542 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.106 -1.112 6.769 1.00 0.00 H new ATOM 721 N ALA A 92 0.990 4.544 8.305 1.00 0.00 N ATOM 722 CA ALA A 92 -0.187 4.417 9.164 1.00 0.00 C ATOM 723 C ALA A 92 -1.489 4.530 8.367 1.00 0.00 C ATOM 724 O ALA A 92 -2.466 3.885 8.742 1.00 0.00 O ATOM 725 CB ALA A 92 -0.163 5.463 10.279 1.00 0.00 C ATOM 0 H ALA A 92 1.614 5.309 8.562 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.152 3.423 9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.048 5.348 10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.731 5.326 10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.155 6.461 9.841 1.00 0.00 H new ATOM 731 N TYR A 93 -1.503 5.364 7.321 1.00 0.00 N ATOM 732 CA TYR A 93 -2.654 5.562 6.453 1.00 0.00 C ATOM 733 C TYR A 93 -2.804 4.343 5.543 1.00 0.00 C ATOM 734 O TYR A 93 -3.912 3.845 5.357 1.00 0.00 O ATOM 735 CB TYR A 93 -2.490 6.871 5.664 1.00 0.00 C ATOM 736 CG TYR A 93 -3.481 7.071 4.533 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.856 7.137 4.807 1.00 0.00 C ATOM 738 CD2 TYR A 93 -3.028 7.166 3.203 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.770 7.345 3.763 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.935 7.327 2.135 1.00 0.00 C ATOM 741 CZ TYR A 93 -5.316 7.452 2.428 1.00 0.00 C ATOM 742 OH TYR A 93 -6.243 7.694 1.461 1.00 0.00 O ATOM 0 H TYR A 93 -0.696 5.928 7.055 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.568 5.656 7.039 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.580 7.708 6.357 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.481 6.905 5.252 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.210 7.028 5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.969 7.115 2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.825 7.424 3.980 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.584 7.354 1.114 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.800 7.746 0.589 1.00 0.00 H new ATOM 752 N TYR A 94 -1.685 3.836 5.013 1.00 0.00 N ATOM 753 CA TYR A 94 -1.666 2.673 4.144 1.00 0.00 C ATOM 754 C TYR A 94 -2.321 1.486 4.859 1.00 0.00 C ATOM 755 O TYR A 94 -3.080 0.731 4.244 1.00 0.00 O ATOM 756 CB TYR A 94 -0.216 2.356 3.707 1.00 0.00 C ATOM 757 CG TYR A 94 -0.082 1.074 2.909 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.219 1.056 1.511 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.131 -0.134 3.590 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.237 -0.158 0.814 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.138 -1.354 2.895 1.00 0.00 C ATOM 762 CZ TYR A 94 -0.060 -1.367 1.505 1.00 0.00 C ATOM 763 OH TYR A 94 -0.066 -2.541 0.831 1.00 0.00 O ATOM 0 H TYR A 94 -0.761 4.233 5.183 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.240 2.879 3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.163 3.186 3.110 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.414 2.288 4.594 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.311 1.986 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.291 -0.125 4.658 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.387 -0.164 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.295 -2.280 3.428 1.00 0.00 H new ATOM 0 HH TYR A 94 0.721 -3.067 1.084 1.00 0.00 H new ATOM 773 N ARG A 95 -2.064 1.341 6.167 1.00 0.00 N ATOM 774 CA ARG A 95 -2.630 0.259 6.974 1.00 0.00 C ATOM 775 C ARG A 95 -4.153 0.276 6.912 1.00 0.00 C ATOM 776 O ARG A 95 -4.755 -0.791 6.762 1.00 0.00 O ATOM 777 CB ARG A 95 -2.198 0.344 8.449 1.00 0.00 C ATOM 778 CG ARG A 95 -0.703 0.214 8.756 1.00 0.00 C ATOM 779 CD ARG A 95 -0.052 -0.969 8.035 1.00 0.00 C ATOM 780 NE ARG A 95 1.037 -1.550 8.825 1.00 0.00 N ATOM 781 CZ ARG A 95 0.894 -2.428 9.825 1.00 0.00 C ATOM 782 NH1 ARG A 95 -0.301 -2.887 10.187 1.00 0.00 N ATOM 783 NH2 ARG A 95 1.960 -2.839 10.489 1.00 0.00 N ATOM 0 H ARG A 95 -1.458 1.972 6.692 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.247 -0.670 6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.541 1.300 8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.724 -0.437 8.999 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.196 1.134 8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.566 0.099 9.831 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.804 -1.732 7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.333 -0.640 7.070 1.00 0.00 H new ATOM 0 HE ARG A 95 1.987 -1.260 8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.138 -2.570 9.698 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -0.380 -3.556 10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.884 -2.487 10.238 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.859 -3.508 11.252 1.00 0.00 H new ATOM 797 N HIS A 96 -4.769 1.454 7.047 1.00 0.00 N ATOM 798 CA HIS A 96 -6.215 1.588 6.998 1.00 0.00 C ATOM 799 C HIS A 96 -6.730 1.107 5.658 1.00 0.00 C ATOM 800 O HIS A 96 -7.668 0.316 5.638 1.00 0.00 O ATOM 801 CB HIS A 96 -6.646 3.046 7.241 1.00 0.00 C ATOM 802 CG HIS A 96 -8.147 3.235 7.264 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.994 3.174 6.188 1.00 0.00 N flip ATOM 804 CD2 HIS A 96 -8.918 3.473 8.379 1.00 0.00 C flip ATOM 805 CE1 HIS A 96 -10.298 3.365 6.659 1.00 0.00 C flip ATOM 806 NE2 HIS A 96 -10.201 3.524 7.988 1.00 0.00 N flip ATOM 0 H HIS A 96 -4.275 2.335 7.193 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.644 0.974 7.790 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -6.230 3.386 8.189 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -6.220 3.677 6.461 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.555 3.597 9.389 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -11.203 3.381 6.070 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.993 3.664 8.615 1.00 0.00 H new ATOM 814 N LYS A 97 -6.146 1.576 4.549 1.00 0.00 N ATOM 815 CA LYS A 97 -6.590 1.195 3.220 1.00 0.00 C ATOM 816 C LYS A 97 -6.559 -0.309 3.043 1.00 0.00 C ATOM 817 O LYS A 97 -7.500 -0.822 2.457 1.00 0.00 O ATOM 818 CB LYS A 97 -5.735 1.873 2.164 1.00 0.00 C ATOM 819 CG LYS A 97 -5.723 3.411 2.223 1.00 0.00 C ATOM 820 CD LYS A 97 -7.119 4.049 2.159 1.00 0.00 C ATOM 821 CE LYS A 97 -7.713 3.857 0.764 1.00 0.00 C ATOM 822 NZ LYS A 97 -8.967 4.613 0.563 1.00 0.00 N ATOM 0 H LYS A 97 -5.359 2.225 4.556 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.622 1.525 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.711 1.513 2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.088 1.565 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.233 3.725 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.122 3.792 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.770 3.597 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.054 5.111 2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.983 4.170 0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.904 2.797 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.251 4.555 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.716 4.208 1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.818 5.609 0.823 1.00 0.00 H new ATOM 836 N VAL A 98 -5.530 -1.007 3.532 1.00 0.00 N ATOM 837 CA VAL A 98 -5.466 -2.458 3.391 1.00 0.00 C ATOM 838 C VAL A 98 -6.759 -3.053 3.937 1.00 0.00 C ATOM 839 O VAL A 98 -7.464 -3.725 3.192 1.00 0.00 O ATOM 840 CB VAL A 98 -4.215 -3.035 4.071 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.231 -4.580 4.021 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.917 -2.448 3.475 1.00 0.00 C ATOM 0 H VAL A 98 -4.738 -0.592 4.024 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.375 -2.726 2.338 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.234 -2.738 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.337 -4.969 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.116 -4.952 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.252 -4.910 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.055 -2.881 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.867 -2.682 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.911 -1.366 3.610 1.00 0.00 H new ATOM 852 N SER A 99 -7.077 -2.804 5.210 1.00 0.00 N ATOM 853 CA SER A 99 -8.309 -3.327 5.777 1.00 0.00 C ATOM 854 C SER A 99 -9.505 -2.806 4.973 1.00 0.00 C ATOM 855 O SER A 99 -10.370 -3.594 4.642 1.00 0.00 O ATOM 856 CB SER A 99 -8.425 -2.992 7.268 1.00 0.00 C ATOM 857 OG SER A 99 -7.988 -4.082 8.064 1.00 0.00 O ATOM 0 H SER A 99 -6.507 -2.254 5.852 1.00 0.00 H new ATOM 0 HA SER A 99 -8.299 -4.415 5.708 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.829 -2.108 7.494 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.459 -2.749 7.512 1.00 0.00 H new ATOM 0 HG SER A 99 -8.068 -3.848 9.012 1.00 0.00 H new ATOM 863 N GLU A 100 -9.556 -1.537 4.579 1.00 0.00 N ATOM 864 CA GLU A 100 -10.655 -0.942 3.817 1.00 0.00 C ATOM 865 C GLU A 100 -10.990 -1.748 2.558 1.00 0.00 C ATOM 866 O GLU A 100 -12.141 -2.152 2.363 1.00 0.00 O ATOM 867 CB GLU A 100 -10.283 0.508 3.450 1.00 0.00 C ATOM 868 CG GLU A 100 -11.401 1.506 3.768 1.00 0.00 C ATOM 869 CD GLU A 100 -11.200 2.906 3.169 1.00 0.00 C ATOM 870 OE1 GLU A 100 -10.276 3.108 2.351 1.00 0.00 O ATOM 871 OE2 GLU A 100 -11.956 3.833 3.544 1.00 0.00 O ATOM 0 H GLU A 100 -8.811 -0.872 4.787 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.549 -0.951 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.381 0.795 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.047 0.560 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.345 1.102 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.491 1.598 4.850 1.00 0.00 H new ATOM 878 N PHE A 101 -9.982 -1.971 1.708 1.00 0.00 N ATOM 879 CA PHE A 101 -10.105 -2.707 0.463 1.00 0.00 C ATOM 880 C PHE A 101 -10.433 -4.179 0.711 1.00 0.00 C ATOM 881 O PHE A 101 -11.002 -4.830 -0.166 1.00 0.00 O ATOM 882 CB PHE A 101 -8.813 -2.545 -0.354 1.00 0.00 C ATOM 883 CG PHE A 101 -8.658 -1.245 -1.134 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.326 -1.053 -2.360 1.00 0.00 C ATOM 885 CD2 PHE A 101 -7.736 -0.274 -0.704 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.057 0.088 -3.145 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.470 0.864 -1.484 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.136 1.051 -2.700 1.00 0.00 C ATOM 0 H PHE A 101 -9.036 -1.632 1.880 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.937 -2.296 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.966 -2.638 0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.749 -3.375 -1.058 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.047 -1.782 -2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.225 -0.405 0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.561 0.222 -4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.751 1.595 -1.145 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.943 1.932 -3.294 1.00 0.00 H new ATOM 898 N LYS A 102 -10.076 -4.705 1.885 1.00 0.00 N ATOM 899 CA LYS A 102 -10.358 -6.095 2.262 1.00 0.00 C ATOM 900 C LYS A 102 -11.772 -6.245 2.811 1.00 0.00 C ATOM 901 O LYS A 102 -12.442 -7.231 2.511 1.00 0.00 O ATOM 902 CB LYS A 102 -9.397 -6.520 3.360 1.00 0.00 C ATOM 903 CG LYS A 102 -8.010 -6.828 2.838 1.00 0.00 C ATOM 904 CD LYS A 102 -7.036 -7.013 3.987 1.00 0.00 C ATOM 905 CE LYS A 102 -6.798 -8.494 4.248 1.00 0.00 C ATOM 906 NZ LYS A 102 -6.288 -8.739 5.610 1.00 0.00 N ATOM 0 H LYS A 102 -9.581 -4.178 2.605 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.246 -6.710 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.332 -5.728 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.795 -7.401 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.037 -7.731 2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.670 -6.018 2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.091 -6.522 3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.429 -6.537 4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.730 -9.042 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.086 -8.881 3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.139 -9.759 5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.386 -8.237 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.978 -8.393 6.307 1.00 0.00 H new ATOM 920 N GLU A 103 -12.239 -5.297 3.630 1.00 0.00 N ATOM 921 CA GLU A 103 -13.577 -5.313 4.223 1.00 0.00 C ATOM 922 C GLU A 103 -14.625 -5.204 3.107 1.00 0.00 C ATOM 923 O GLU A 103 -15.792 -5.527 3.331 1.00 0.00 O ATOM 924 CB GLU A 103 -13.777 -4.185 5.261 1.00 0.00 C ATOM 925 CG GLU A 103 -12.686 -4.066 6.350 1.00 0.00 C ATOM 926 CD GLU A 103 -13.124 -3.980 7.814 1.00 0.00 C ATOM 927 OE1 GLU A 103 -13.720 -2.949 8.212 1.00 0.00 O ATOM 928 OE2 GLU A 103 -12.699 -4.866 8.591 1.00 0.00 O ATOM 0 H GLU A 103 -11.687 -4.484 3.903 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.695 -6.255 4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.837 -3.235 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.738 -4.336 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.024 -4.926 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.092 -3.179 6.129 1.00 0.00 H new ATOM 935 N GLY A 104 -14.204 -4.753 1.918 1.00 0.00 N ATOM 936 CA GLY A 104 -15.014 -4.599 0.720 1.00 0.00 C ATOM 937 C GLY A 104 -15.894 -3.362 0.754 1.00 0.00 C ATOM 938 O GLY A 104 -16.894 -3.313 0.042 1.00 0.00 O ATOM 0 H GLY A 104 -13.235 -4.473 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.360 -4.549 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.642 -5.481 0.597 1.00 0.00 H new ATOM 942 N LYS A 105 -15.565 -2.383 1.599 1.00 0.00 N ATOM 943 CA LYS A 105 -16.347 -1.158 1.734 1.00 0.00 C ATOM 944 C LYS A 105 -15.667 0.071 1.154 1.00 0.00 C ATOM 945 O LYS A 105 -16.323 1.108 1.028 1.00 0.00 O ATOM 946 CB LYS A 105 -16.648 -0.931 3.224 1.00 0.00 C ATOM 947 CG LYS A 105 -15.460 -0.333 4.001 1.00 0.00 C ATOM 948 CD LYS A 105 -15.773 -0.177 5.486 1.00 0.00 C ATOM 949 CE LYS A 105 -15.527 -1.484 6.234 1.00 0.00 C ATOM 950 NZ LYS A 105 -15.900 -1.422 7.659 1.00 0.00 N ATOM 0 H LYS A 105 -14.748 -2.420 2.208 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.262 -1.294 1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.506 -0.265 3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.930 -1.880 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.587 -0.974 3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.203 0.639 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.153 0.612 5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.811 0.129 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.093 -2.282 5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.472 -1.747 6.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.200 -1.944 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.924 -0.429 7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.839 -1.849 7.791 1.00 0.00 H new ATOM 964 N ALA A 106 -14.361 -0.004 0.899 1.00 0.00 N ATOM 965 CA ALA A 106 -13.613 1.124 0.386 1.00 0.00 C ATOM 966 C ALA A 106 -14.088 1.547 -0.994 1.00 0.00 C ATOM 967 O ALA A 106 -14.555 0.723 -1.788 1.00 0.00 O ATOM 968 CB ALA A 106 -12.131 0.762 0.265 1.00 0.00 C ATOM 0 H ALA A 106 -13.803 -0.845 1.044 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.767 1.943 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.578 1.618 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.741 0.491 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.017 -0.082 -0.416 1.00 0.00 H new ATOM 974 N GLN A 107 -13.944 2.842 -1.261 1.00 0.00 N ATOM 975 CA GLN A 107 -14.277 3.426 -2.542 1.00 0.00 C ATOM 976 C GLN A 107 -12.979 3.272 -3.328 1.00 0.00 C ATOM 977 O GLN A 107 -11.935 3.784 -2.906 1.00 0.00 O ATOM 978 CB GLN A 107 -14.775 4.877 -2.411 1.00 0.00 C ATOM 979 CG GLN A 107 -13.848 5.899 -1.718 1.00 0.00 C ATOM 980 CD GLN A 107 -13.238 6.911 -2.691 1.00 0.00 C ATOM 981 OE1 GLN A 107 -13.715 8.037 -2.811 1.00 0.00 O ATOM 982 NE2 GLN A 107 -12.177 6.562 -3.396 1.00 0.00 N ATOM 0 H GLN A 107 -13.589 3.516 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 107 -15.114 2.942 -3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.992 5.248 -3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -15.719 4.859 -1.866 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.413 6.433 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.046 5.366 -1.207 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.783 5.627 -3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.752 7.228 -4.042 1.00 0.00 H new ATOM 991 N GLU A 108 -13.002 2.498 -4.407 1.00 0.00 N ATOM 992 CA GLU A 108 -11.830 2.274 -5.236 1.00 0.00 C ATOM 993 C GLU A 108 -11.361 3.628 -5.805 1.00 0.00 C ATOM 994 O GLU A 108 -12.151 4.576 -5.875 1.00 0.00 O ATOM 995 CB GLU A 108 -12.151 1.199 -6.286 1.00 0.00 C ATOM 996 CG GLU A 108 -12.415 -0.161 -5.603 1.00 0.00 C ATOM 997 CD GLU A 108 -12.587 -1.311 -6.597 1.00 0.00 C ATOM 998 OE1 GLU A 108 -13.161 -1.082 -7.686 1.00 0.00 O ATOM 999 OE2 GLU A 108 -12.112 -2.442 -6.316 1.00 0.00 O ATOM 0 H GLU A 108 -13.837 2.009 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.988 1.880 -4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -13.025 1.497 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.321 1.106 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.587 -0.390 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.312 -0.084 -4.988 1.00 0.00 H new ATOM 1006 N PRO A 109 -10.087 3.758 -6.195 1.00 0.00 N ATOM 1007 CA PRO A 109 -9.538 5.002 -6.709 1.00 0.00 C ATOM 1008 C PRO A 109 -10.081 5.376 -8.079 1.00 0.00 C ATOM 1009 O PRO A 109 -10.929 4.695 -8.660 1.00 0.00 O ATOM 1010 CB PRO A 109 -8.024 4.802 -6.719 1.00 0.00 C ATOM 1011 CG PRO A 109 -7.877 3.301 -6.925 1.00 0.00 C ATOM 1012 CD PRO A 109 -9.069 2.725 -6.168 1.00 0.00 C ATOM 0 HA PRO A 109 -9.829 5.843 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.548 5.368 -7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.568 5.127 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.905 3.035 -7.982 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.932 2.931 -6.528 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.427 1.810 -6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.797 2.470 -5.144 1.00 0.00 H new ATOM 1020 N SER A 110 -9.623 6.525 -8.564 1.00 0.00 N ATOM 1021 CA SER A 110 -9.988 7.075 -9.843 1.00 0.00 C ATOM 1022 C SER A 110 -8.808 7.880 -10.358 1.00 0.00 C ATOM 1023 O SER A 110 -8.994 8.552 -11.390 1.00 0.00 O ATOM 1024 CB SER A 110 -11.246 7.924 -9.660 1.00 0.00 C ATOM 1025 OG SER A 110 -11.774 8.226 -10.933 1.00 0.00 O ATOM 0 H SER A 110 -8.965 7.112 -8.051 1.00 0.00 H new ATOM 0 HA SER A 110 -10.216 6.303 -10.578 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.982 7.386 -9.063 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.008 8.841 -9.122 1.00 0.00 H new ATOM 0 HG SER A 110 -11.042 8.445 -11.547 1.00 0.00 H new TER 1031 SER A 110