USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 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 18 THR OG1 : rot 57:sc= 1.26 USER MOD Set 1.2: A 21 THR OG1 : rot 15:sc= 1.43 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 17:sc= 0.645 USER MOD Single : A 17 THR OG1 : rot 0:sc= 0.95 USER MOD Single : A 20 GLN : amide:sc= 0.324 K(o=0.32,f=-0.39) USER MOD Single : A 27 SER OG : rot -36:sc= 0.111 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 35 SER OG : rot 103:sc= 1.13 USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 1.15 (180deg=0.71) USER MOD Single : A 39 ASN : amide:sc= -0.0445 X(o=-0.045,f=-0.036) USER MOD Single : A 53 THR OG1 : rot 100:sc= -0.475 USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= -1.32! (180deg=-1.85!) USER MOD Single : A 58 LYS NZ :NH3+ -118:sc= 2.13 (180deg=-1.55) USER MOD Single : A 60 MET CE :methyl 167:sc= -0.663 (180deg=-1.28) USER MOD Single : A 67 MET CE :methyl 153:sc= -0.0525 (180deg=-0.892) USER MOD Single : A 68 ASN : amide:sc= 0.0777 K(o=0.078,f=-5.5!) USER MOD Single : A 70 GLN : amide:sc= 1.15 K(o=1.2,f=-1.4) USER MOD Single : A 76 ASN : amide:sc= 0.933 K(o=0.93,f=-0.0036) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.0513 K(o=0.051,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 68 N GLU A 5 10.272 9.345 0.831 1.00 0.00 N ATOM 69 CA GLU A 5 9.513 8.157 0.988 1.00 0.00 C ATOM 70 C GLU A 5 9.178 7.462 -0.314 1.00 0.00 C ATOM 71 O GLU A 5 9.094 8.086 -1.394 1.00 0.00 O ATOM 72 CB GLU A 5 8.294 8.376 1.896 1.00 0.00 C ATOM 73 CG GLU A 5 7.494 9.652 1.676 1.00 0.00 C ATOM 74 CD GLU A 5 6.796 9.749 0.340 1.00 0.00 C ATOM 75 OE1 GLU A 5 7.391 10.269 -0.605 1.00 0.00 O1- ATOM 76 OE2 GLU A 5 5.618 9.325 0.222 1.00 0.00 O ATOM 0 HA GLU A 5 10.164 7.451 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.621 7.528 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.635 8.363 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.747 9.735 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.164 10.505 1.781 1.00 0.00 H new ATOM 83 N TYR A 6 9.043 6.174 -0.228 1.00 0.00 N ATOM 84 CA TYR A 6 8.672 5.383 -1.333 1.00 0.00 C ATOM 85 C TYR A 6 7.252 4.960 -1.196 1.00 0.00 C ATOM 86 O TYR A 6 6.869 4.247 -0.266 1.00 0.00 O ATOM 87 CB TYR A 6 9.630 4.230 -1.565 1.00 0.00 C ATOM 88 CG TYR A 6 10.885 4.681 -2.265 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.867 4.906 -3.631 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.069 4.906 -1.579 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.992 5.331 -4.302 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.204 5.335 -2.241 1.00 0.00 C ATOM 93 CZ TYR A 6 13.159 5.542 -3.605 1.00 0.00 C ATOM 94 OH TYR A 6 14.274 5.975 -4.273 1.00 0.00 O ATOM 0 H TYR A 6 9.193 5.646 0.632 1.00 0.00 H new ATOM 0 HA TYR A 6 8.746 5.987 -2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.890 3.775 -0.609 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.137 3.462 -2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.952 4.745 -4.182 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.105 4.744 -0.512 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.958 5.498 -5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.120 5.507 -1.695 1.00 0.00 H new ATOM 0 HH TYR A 6 15.015 6.077 -3.640 1.00 0.00 H new ATOM 104 N ARG A 7 6.480 5.433 -2.107 1.00 0.00 N ATOM 105 CA ARG A 7 5.074 5.292 -2.084 1.00 0.00 C ATOM 106 C ARG A 7 4.651 4.165 -3.013 1.00 0.00 C ATOM 107 O ARG A 7 5.032 4.133 -4.182 1.00 0.00 O ATOM 108 CB ARG A 7 4.493 6.609 -2.553 1.00 0.00 C ATOM 109 CG ARG A 7 2.983 6.761 -2.406 1.00 0.00 C ATOM 110 CD ARG A 7 2.542 6.779 -0.944 1.00 0.00 C ATOM 111 NE ARG A 7 3.157 7.871 -0.166 1.00 0.00 N ATOM 112 CZ ARG A 7 2.667 8.359 0.989 1.00 0.00 C ATOM 113 NH1 ARG A 7 1.478 7.949 1.453 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 3.377 9.242 1.668 1.00 0.00 N ATOM 0 H ARG A 7 6.826 5.947 -2.917 1.00 0.00 H new ATOM 0 HA ARG A 7 4.718 5.048 -1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.975 7.414 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.752 6.745 -3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.664 7.684 -2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.485 5.941 -2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.457 6.876 -0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.796 5.825 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 7 4.015 8.286 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.936 7.261 0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.115 8.325 2.329 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.285 9.546 1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.018 9.620 2.545 1.00 0.00 H new ATOM 128 N CYS A 8 3.885 3.269 -2.501 1.00 0.00 N ATOM 129 CA CYS A 8 3.396 2.157 -3.249 1.00 0.00 C ATOM 130 C CYS A 8 1.884 2.281 -3.397 1.00 0.00 C ATOM 131 O CYS A 8 1.192 2.666 -2.442 1.00 0.00 O ATOM 132 CB CYS A 8 3.767 0.863 -2.518 1.00 0.00 C ATOM 133 SG CYS A 8 3.275 -0.650 -3.351 1.00 0.00 S ATOM 0 H CYS A 8 3.572 3.285 -1.530 1.00 0.00 H new ATOM 0 HA CYS A 8 3.843 2.139 -4.243 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.847 0.844 -2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.311 0.879 -1.528 1.00 0.00 H new ATOM 0 HG CYS A 8 3.012 -0.393 -4.598 1.00 0.00 H new ATOM 139 N PHE A 9 1.389 2.008 -4.583 1.00 0.00 N ATOM 140 CA PHE A 9 -0.036 2.053 -4.867 1.00 0.00 C ATOM 141 C PHE A 9 -0.593 0.637 -4.783 1.00 0.00 C ATOM 142 O PHE A 9 -0.120 -0.266 -5.489 1.00 0.00 O ATOM 143 CB PHE A 9 -0.264 2.629 -6.289 1.00 0.00 C ATOM 144 CG PHE A 9 -1.719 2.768 -6.732 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.456 1.663 -7.142 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.327 4.008 -6.765 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.761 1.794 -7.566 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.635 4.146 -7.187 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.353 3.037 -7.588 1.00 0.00 C ATOM 0 H PHE A 9 1.963 1.747 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.543 2.692 -4.144 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.206 3.611 -6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.253 1.990 -7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.998 0.685 -7.128 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.772 4.882 -6.457 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.318 0.924 -7.880 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.096 5.122 -7.203 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.376 3.144 -7.918 1.00 0.00 H new ATOM 159 N VAL A 10 -1.565 0.429 -3.937 1.00 0.00 N ATOM 160 CA VAL A 10 -2.184 -0.868 -3.826 1.00 0.00 C ATOM 161 C VAL A 10 -3.663 -0.732 -4.132 1.00 0.00 C ATOM 162 O VAL A 10 -4.394 -0.095 -3.394 1.00 0.00 O ATOM 163 CB VAL A 10 -2.005 -1.482 -2.405 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.628 -2.872 -2.330 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.536 -1.545 -2.019 1.00 0.00 C ATOM 0 H VAL A 10 -1.947 1.140 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.700 -1.537 -4.537 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.520 -0.832 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.490 -3.279 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.693 -2.806 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.147 -3.526 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.440 -1.977 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.003 -2.164 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.116 -0.539 -2.020 1.00 0.00 H new ATOM 175 N GLY A 11 -4.081 -1.320 -5.208 1.00 0.00 N ATOM 176 CA GLY A 11 -5.463 -1.286 -5.601 1.00 0.00 C ATOM 177 C GLY A 11 -6.056 -2.665 -5.606 1.00 0.00 C ATOM 178 O GLY A 11 -5.324 -3.642 -5.661 1.00 0.00 O ATOM 0 H GLY A 11 -3.476 -1.840 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.023 -0.648 -4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.552 -0.845 -6.594 1.00 0.00 H new ATOM 182 N GLY A 12 -7.356 -2.746 -5.532 1.00 0.00 N ATOM 183 CA GLY A 12 -8.023 -4.027 -5.527 1.00 0.00 C ATOM 184 C GLY A 12 -8.265 -4.495 -4.118 1.00 0.00 C ATOM 185 O GLY A 12 -8.350 -5.682 -3.858 1.00 0.00 O ATOM 0 H GLY A 12 -7.979 -1.941 -5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.972 -3.951 -6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.417 -4.760 -6.060 1.00 0.00 H new ATOM 189 N LEU A 13 -8.388 -3.540 -3.214 1.00 0.00 N ATOM 190 CA LEU A 13 -8.571 -3.827 -1.801 1.00 0.00 C ATOM 191 C LEU A 13 -9.994 -4.263 -1.501 1.00 0.00 C ATOM 192 O LEU A 13 -10.887 -4.174 -2.359 1.00 0.00 O ATOM 193 CB LEU A 13 -8.194 -2.616 -0.946 1.00 0.00 C ATOM 194 CG LEU A 13 -6.731 -2.172 -1.007 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.522 -0.959 -0.151 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.810 -3.284 -0.551 1.00 0.00 C ATOM 0 H LEU A 13 -8.364 -2.545 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.906 -4.653 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.819 -1.776 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.441 -2.840 0.092 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.494 -1.927 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.477 -0.653 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.156 -0.148 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.781 -1.193 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.776 -2.944 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.051 -3.557 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.940 -4.152 -1.197 1.00 0.00 H new ATOM 208 N ALA A 14 -10.210 -4.708 -0.292 1.00 0.00 N ATOM 209 CA ALA A 14 -11.480 -5.216 0.099 1.00 0.00 C ATOM 210 C ALA A 14 -12.259 -4.212 0.942 1.00 0.00 C ATOM 211 O ALA A 14 -11.909 -3.027 1.017 1.00 0.00 O ATOM 212 CB ALA A 14 -11.308 -6.536 0.802 1.00 0.00 C ATOM 0 H ALA A 14 -9.504 -4.725 0.444 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.077 -5.383 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.284 -6.920 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.828 -7.247 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.687 -6.398 1.687 1.00 0.00 H new ATOM 218 N TRP A 15 -13.314 -4.693 1.553 1.00 0.00 N ATOM 219 CA TRP A 15 -14.265 -3.876 2.270 1.00 0.00 C ATOM 220 C TRP A 15 -13.743 -3.479 3.657 1.00 0.00 C ATOM 221 O TRP A 15 -14.039 -2.387 4.142 1.00 0.00 O ATOM 222 CB TRP A 15 -15.580 -4.677 2.402 1.00 0.00 C ATOM 223 CG TRP A 15 -16.785 -3.903 2.884 1.00 0.00 C ATOM 224 CD1 TRP A 15 -17.021 -3.429 4.142 1.00 0.00 C ATOM 225 CD2 TRP A 15 -17.948 -3.568 2.110 1.00 0.00 C ATOM 226 NE1 TRP A 15 -18.240 -2.793 4.188 1.00 0.00 N ATOM 227 CE2 TRP A 15 -18.830 -2.872 2.958 1.00 0.00 C ATOM 228 CE3 TRP A 15 -18.321 -3.783 0.779 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -20.062 -2.393 2.520 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -19.545 -3.309 0.346 1.00 0.00 C ATOM 231 CH2 TRP A 15 -20.402 -2.621 1.214 1.00 0.00 C ATOM 0 H TRP A 15 -13.541 -5.687 1.566 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.431 -2.951 1.717 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -15.817 -5.110 1.430 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.409 -5.507 3.088 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.348 -3.538 4.980 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -18.639 -2.336 5.008 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -17.665 -4.310 0.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -20.725 -1.861 3.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -19.845 -3.472 -0.679 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -21.352 -2.263 0.845 1.00 0.00 H new ATOM 242 N ALA A 16 -12.945 -4.334 4.266 1.00 0.00 N ATOM 243 CA ALA A 16 -12.570 -4.133 5.668 1.00 0.00 C ATOM 244 C ALA A 16 -11.122 -3.718 5.830 1.00 0.00 C ATOM 245 O ALA A 16 -10.641 -3.505 6.970 1.00 0.00 O ATOM 246 CB ALA A 16 -12.864 -5.389 6.478 1.00 0.00 C ATOM 0 H ALA A 16 -12.545 -5.164 3.828 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.176 -3.311 6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.581 -5.226 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.929 -5.616 6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.293 -6.225 6.073 1.00 0.00 H new ATOM 252 N THR A 17 -10.436 -3.580 4.717 1.00 0.00 N ATOM 253 CA THR A 17 -9.057 -3.219 4.722 1.00 0.00 C ATOM 254 C THR A 17 -8.896 -1.829 5.352 1.00 0.00 C ATOM 255 O THR A 17 -9.418 -0.831 4.843 1.00 0.00 O ATOM 256 CB THR A 17 -8.506 -3.199 3.286 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.947 -4.382 2.570 1.00 0.00 O ATOM 258 CG2 THR A 17 -6.978 -3.177 3.317 1.00 0.00 C ATOM 0 H THR A 17 -10.830 -3.718 3.786 1.00 0.00 H new ATOM 0 HA THR A 17 -8.500 -3.954 5.303 1.00 0.00 H new ATOM 0 HB THR A 17 -8.876 -2.307 2.781 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.501 -4.934 3.160 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.594 -3.163 2.297 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.638 -2.287 3.845 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.612 -4.066 3.831 1.00 0.00 H new ATOM 266 N THR A 18 -8.185 -1.777 6.441 1.00 0.00 N ATOM 267 CA THR A 18 -7.990 -0.562 7.158 1.00 0.00 C ATOM 268 C THR A 18 -6.549 -0.091 7.043 1.00 0.00 C ATOM 269 O THR A 18 -5.656 -0.878 6.734 1.00 0.00 O ATOM 270 CB THR A 18 -8.455 -0.718 8.618 1.00 0.00 C ATOM 271 OG1 THR A 18 -8.365 -2.109 9.001 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.892 -0.239 8.779 1.00 0.00 C ATOM 0 H THR A 18 -7.723 -2.586 6.855 1.00 0.00 H new ATOM 0 HA THR A 18 -8.606 0.218 6.711 1.00 0.00 H new ATOM 0 HB THR A 18 -7.813 -0.112 9.258 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.446 -2.425 8.872 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.201 -0.358 9.818 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.959 0.812 8.499 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.546 -0.828 8.136 1.00 0.00 H new ATOM 280 N ASP A 19 -6.336 1.182 7.265 1.00 0.00 N ATOM 281 CA ASP A 19 -5.039 1.815 7.053 1.00 0.00 C ATOM 282 C ASP A 19 -4.017 1.364 8.060 1.00 0.00 C ATOM 283 O ASP A 19 -2.838 1.212 7.726 1.00 0.00 O ATOM 284 CB ASP A 19 -5.181 3.348 6.988 1.00 0.00 C ATOM 285 CG ASP A 19 -5.654 3.996 8.266 1.00 0.00 C ATOM 286 OD1 ASP A 19 -6.448 3.371 8.993 1.00 0.00 O ATOM 287 OD2 ASP A 19 -5.267 5.170 8.507 1.00 0.00 O1- ATOM 0 H ASP A 19 -7.057 1.821 7.600 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.661 1.488 6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.217 3.777 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.879 3.600 6.190 1.00 0.00 H new ATOM 292 N GLN A 20 -4.466 1.138 9.273 1.00 0.00 N ATOM 293 CA GLN A 20 -3.655 0.575 10.296 1.00 0.00 C ATOM 294 C GLN A 20 -3.185 -0.839 9.894 1.00 0.00 C ATOM 295 O GLN A 20 -1.999 -1.094 9.781 1.00 0.00 O ATOM 296 CB GLN A 20 -4.444 0.522 11.613 1.00 0.00 C ATOM 297 CG GLN A 20 -3.636 -0.088 12.714 1.00 0.00 C ATOM 298 CD GLN A 20 -2.399 0.720 13.002 1.00 0.00 C ATOM 299 OE1 GLN A 20 -2.414 1.954 12.967 1.00 0.00 O ATOM 300 NE2 GLN A 20 -1.323 0.054 13.092 1.00 0.00 N ATOM 0 H GLN A 20 -5.420 1.347 9.568 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.774 1.202 10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.746 1.530 11.898 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.357 -0.055 11.468 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.244 -0.160 13.616 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.353 -1.104 12.439 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.355 -0.965 13.118 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.426 0.538 13.138 1.00 0.00 H new ATOM 309 N THR A 21 -4.139 -1.716 9.586 1.00 0.00 N ATOM 310 CA THR A 21 -3.837 -3.109 9.280 1.00 0.00 C ATOM 311 C THR A 21 -3.017 -3.255 7.993 1.00 0.00 C ATOM 312 O THR A 21 -2.250 -4.213 7.834 1.00 0.00 O ATOM 313 CB THR A 21 -5.125 -3.950 9.212 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.073 -3.300 8.353 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.731 -4.121 10.597 1.00 0.00 C ATOM 0 H THR A 21 -5.131 -1.483 9.542 1.00 0.00 H new ATOM 0 HA THR A 21 -3.221 -3.489 10.095 1.00 0.00 H new ATOM 0 HB THR A 21 -4.878 -4.935 8.817 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.617 -2.614 7.822 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.640 -4.718 10.525 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.016 -4.625 11.247 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.972 -3.142 11.012 1.00 0.00 H new ATOM 323 N LEU A 22 -3.186 -2.295 7.081 1.00 0.00 N ATOM 324 CA LEU A 22 -2.402 -2.223 5.856 1.00 0.00 C ATOM 325 C LEU A 22 -0.913 -2.089 6.217 1.00 0.00 C ATOM 326 O LEU A 22 -0.034 -2.634 5.530 1.00 0.00 O ATOM 327 CB LEU A 22 -2.853 -1.007 5.026 1.00 0.00 C ATOM 328 CG LEU A 22 -2.262 -0.871 3.620 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.762 -1.989 2.716 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.592 0.490 3.026 1.00 0.00 C ATOM 0 H LEU A 22 -3.873 -1.547 7.176 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.552 -3.129 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.939 -1.042 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.608 -0.104 5.586 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.178 -0.954 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.330 -1.874 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.466 -2.952 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.849 -1.943 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.162 0.565 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.674 0.608 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.176 1.274 3.659 1.00 0.00 H new ATOM 342 N GLY A 23 -0.659 -1.397 7.325 1.00 0.00 N ATOM 343 CA GLY A 23 0.675 -1.200 7.816 1.00 0.00 C ATOM 344 C GLY A 23 1.266 -2.492 8.309 1.00 0.00 C ATOM 345 O GLY A 23 2.316 -2.904 7.831 1.00 0.00 O ATOM 0 H GLY A 23 -1.382 -0.962 7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.301 -0.789 7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.664 -0.469 8.625 1.00 0.00 H new ATOM 349 N GLU A 24 0.564 -3.158 9.225 1.00 0.00 N ATOM 350 CA GLU A 24 1.004 -4.447 9.779 1.00 0.00 C ATOM 351 C GLU A 24 1.262 -5.472 8.681 1.00 0.00 C ATOM 352 O GLU A 24 2.243 -6.215 8.728 1.00 0.00 O ATOM 353 CB GLU A 24 -0.006 -5.024 10.795 1.00 0.00 C ATOM 354 CG GLU A 24 0.004 -4.385 12.189 1.00 0.00 C ATOM 355 CD GLU A 24 -0.412 -2.935 12.214 1.00 0.00 C ATOM 356 OE1 GLU A 24 0.438 -2.071 11.997 1.00 0.00 O ATOM 357 OE2 GLU A 24 -1.600 -2.658 12.477 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.322 -2.825 9.605 1.00 0.00 H new ATOM 0 HA GLU A 24 1.938 -4.245 10.303 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.008 -4.924 10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.188 -6.091 10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.661 -4.952 12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.007 -4.470 12.607 1.00 0.00 H new ATOM 364 N ALA A 25 0.397 -5.476 7.682 1.00 0.00 N ATOM 365 CA ALA A 25 0.499 -6.394 6.559 1.00 0.00 C ATOM 366 C ALA A 25 1.799 -6.183 5.777 1.00 0.00 C ATOM 367 O ALA A 25 2.493 -7.135 5.429 1.00 0.00 O ATOM 368 CB ALA A 25 -0.704 -6.224 5.646 1.00 0.00 C ATOM 0 H ALA A 25 -0.399 -4.841 7.626 1.00 0.00 H new ATOM 0 HA ALA A 25 0.514 -7.411 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.623 -6.914 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.617 -6.436 6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.736 -5.200 5.273 1.00 0.00 H new ATOM 374 N PHE A 26 2.134 -4.942 5.519 1.00 0.00 N ATOM 375 CA PHE A 26 3.326 -4.642 4.755 1.00 0.00 C ATOM 376 C PHE A 26 4.576 -4.508 5.614 1.00 0.00 C ATOM 377 O PHE A 26 5.693 -4.461 5.090 1.00 0.00 O ATOM 378 CB PHE A 26 3.137 -3.456 3.824 1.00 0.00 C ATOM 379 CG PHE A 26 2.256 -3.755 2.637 1.00 0.00 C ATOM 380 CD1 PHE A 26 0.885 -3.580 2.696 1.00 0.00 C ATOM 381 CD2 PHE A 26 2.814 -4.216 1.459 1.00 0.00 C ATOM 382 CE1 PHE A 26 0.091 -3.859 1.599 1.00 0.00 C ATOM 383 CE2 PHE A 26 2.028 -4.495 0.357 1.00 0.00 C ATOM 384 CZ PHE A 26 0.662 -4.316 0.429 1.00 0.00 C ATOM 0 H PHE A 26 1.603 -4.126 5.824 1.00 0.00 H new ATOM 0 HA PHE A 26 3.494 -5.514 4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.706 -2.628 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.113 -3.125 3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.430 -3.222 3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.883 -4.361 1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.978 -3.719 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.481 -4.851 -0.556 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.041 -4.533 -0.428 1.00 0.00 H new ATOM 394 N SER A 27 4.396 -4.469 6.930 1.00 0.00 N ATOM 395 CA SER A 27 5.508 -4.374 7.872 1.00 0.00 C ATOM 396 C SER A 27 6.371 -5.640 7.818 1.00 0.00 C ATOM 397 O SER A 27 7.480 -5.667 8.345 1.00 0.00 O ATOM 398 CB SER A 27 4.993 -4.117 9.302 1.00 0.00 C ATOM 399 OG SER A 27 6.066 -3.932 10.217 1.00 0.00 O ATOM 0 H SER A 27 3.478 -4.502 7.374 1.00 0.00 H new ATOM 0 HA SER A 27 6.131 -3.527 7.583 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.353 -3.234 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.379 -4.957 9.625 1.00 0.00 H new ATOM 0 HG SER A 27 6.813 -4.515 9.968 1.00 0.00 H new ATOM 405 N GLN A 28 5.830 -6.681 7.195 1.00 0.00 N ATOM 406 CA GLN A 28 6.552 -7.913 6.937 1.00 0.00 C ATOM 407 C GLN A 28 7.729 -7.643 5.994 1.00 0.00 C ATOM 408 O GLN A 28 8.791 -8.245 6.117 1.00 0.00 O ATOM 409 CB GLN A 28 5.604 -8.928 6.274 1.00 0.00 C ATOM 410 CG GLN A 28 6.294 -10.193 5.771 1.00 0.00 C ATOM 411 CD GLN A 28 5.377 -11.102 4.982 1.00 0.00 C ATOM 412 OE1 GLN A 28 4.184 -11.177 5.226 1.00 0.00 O ATOM 413 NE2 GLN A 28 5.929 -11.769 3.998 1.00 0.00 N ATOM 0 H GLN A 28 4.869 -6.690 6.853 1.00 0.00 H new ATOM 0 HA GLN A 28 6.927 -8.310 7.880 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.832 -9.209 6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.101 -8.445 5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.141 -9.912 5.146 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.695 -10.743 6.623 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.930 -11.683 3.822 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.358 -12.374 3.408 1.00 0.00 H new ATOM 422 N PHE A 29 7.522 -6.716 5.082 1.00 0.00 N ATOM 423 CA PHE A 29 8.486 -6.440 4.043 1.00 0.00 C ATOM 424 C PHE A 29 9.425 -5.328 4.457 1.00 0.00 C ATOM 425 O PHE A 29 10.628 -5.406 4.226 1.00 0.00 O ATOM 426 CB PHE A 29 7.771 -6.068 2.741 1.00 0.00 C ATOM 427 CG PHE A 29 6.777 -7.102 2.277 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.173 -8.169 1.495 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.445 -6.995 2.624 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.263 -9.111 1.069 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.528 -7.931 2.206 1.00 0.00 C ATOM 432 CZ PHE A 29 4.936 -8.996 1.424 1.00 0.00 C ATOM 0 H PHE A 29 6.684 -6.136 5.042 1.00 0.00 H new ATOM 0 HA PHE A 29 9.075 -7.342 3.879 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.255 -5.118 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.515 -5.916 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.211 -8.266 1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.118 -6.165 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.589 -9.939 0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.490 -7.834 2.488 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.219 -9.733 1.093 1.00 0.00 H new ATOM 442 N GLY A 30 8.899 -4.284 5.077 1.00 0.00 N ATOM 443 CA GLY A 30 9.780 -3.225 5.450 1.00 0.00 C ATOM 444 C GLY A 30 9.165 -2.155 6.296 1.00 0.00 C ATOM 445 O GLY A 30 8.102 -2.339 6.893 1.00 0.00 O ATOM 0 H GLY A 30 7.915 -4.161 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.627 -3.651 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.176 -2.767 4.544 1.00 0.00 H new ATOM 449 N GLU A 31 9.850 -1.031 6.314 1.00 0.00 N ATOM 450 CA GLU A 31 9.520 0.132 7.112 1.00 0.00 C ATOM 451 C GLU A 31 8.248 0.776 6.628 1.00 0.00 C ATOM 452 O GLU A 31 8.187 1.247 5.495 1.00 0.00 O ATOM 453 CB GLU A 31 10.617 1.156 6.948 1.00 0.00 C ATOM 454 CG GLU A 31 12.010 0.644 7.193 1.00 0.00 C ATOM 455 CD GLU A 31 13.015 1.664 6.790 1.00 0.00 C ATOM 456 OE1 GLU A 31 13.283 1.806 5.579 1.00 0.00 O1- ATOM 457 OE2 GLU A 31 13.526 2.390 7.650 1.00 0.00 O ATOM 0 H GLU A 31 10.688 -0.897 5.749 1.00 0.00 H new ATOM 0 HA GLU A 31 9.404 -0.188 8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.568 1.560 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.425 1.983 7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.134 0.399 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.170 -0.276 6.631 1.00 0.00 H new ATOM 464 N ILE A 32 7.260 0.813 7.463 1.00 0.00 N ATOM 465 CA ILE A 32 6.037 1.476 7.126 1.00 0.00 C ATOM 466 C ILE A 32 6.059 2.864 7.731 1.00 0.00 C ATOM 467 O ILE A 32 6.044 3.018 8.948 1.00 0.00 O ATOM 468 CB ILE A 32 4.791 0.698 7.626 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.790 -0.733 7.067 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.505 1.427 7.235 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.800 -0.811 5.553 1.00 0.00 C ATOM 0 H ILE A 32 7.275 0.389 8.391 1.00 0.00 H new ATOM 0 HA ILE A 32 5.962 1.530 6.040 1.00 0.00 H new ATOM 0 HB ILE A 32 4.836 0.644 8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.662 -1.262 7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.909 -1.256 7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.644 0.864 7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.501 2.422 7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.452 1.515 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.799 -1.856 5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.915 -0.314 5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.694 -0.320 5.169 1.00 0.00 H new ATOM 483 N LEU A 33 6.153 3.858 6.887 1.00 0.00 N ATOM 484 CA LEU A 33 6.170 5.239 7.343 1.00 0.00 C ATOM 485 C LEU A 33 4.751 5.768 7.394 1.00 0.00 C ATOM 486 O LEU A 33 4.438 6.672 8.160 1.00 0.00 O ATOM 487 CB LEU A 33 6.987 6.127 6.394 1.00 0.00 C ATOM 488 CG LEU A 33 8.450 5.744 6.133 1.00 0.00 C ATOM 489 CD1 LEU A 33 9.075 6.758 5.195 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.257 5.653 7.431 1.00 0.00 C ATOM 0 H LEU A 33 6.220 3.745 5.875 1.00 0.00 H new ATOM 0 HA LEU A 33 6.628 5.263 8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.472 6.153 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.973 7.142 6.791 1.00 0.00 H new ATOM 0 HG LEU A 33 8.466 4.756 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.114 6.488 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.527 6.768 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.033 7.748 5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.287 5.380 7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.242 6.618 7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.817 4.896 8.081 1.00 0.00 H new ATOM 502 N ASP A 34 3.910 5.178 6.571 1.00 0.00 N ATOM 503 CA ASP A 34 2.523 5.578 6.406 1.00 0.00 C ATOM 504 C ASP A 34 1.805 4.516 5.598 1.00 0.00 C ATOM 505 O ASP A 34 2.440 3.778 4.843 1.00 0.00 O ATOM 506 CB ASP A 34 2.435 6.965 5.707 1.00 0.00 C ATOM 507 CG ASP A 34 1.037 7.336 5.239 1.00 0.00 C ATOM 508 OD1 ASP A 34 0.102 7.337 6.064 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 0.869 7.590 4.015 1.00 0.00 O ATOM 0 H ASP A 34 4.175 4.388 5.983 1.00 0.00 H new ATOM 0 HA ASP A 34 2.047 5.673 7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.791 7.731 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.107 6.971 4.849 1.00 0.00 H new ATOM 514 N SER A 35 0.539 4.393 5.804 1.00 0.00 N ATOM 515 CA SER A 35 -0.289 3.462 5.094 1.00 0.00 C ATOM 516 C SER A 35 -1.711 3.977 5.102 1.00 0.00 C ATOM 517 O SER A 35 -2.370 3.960 6.124 1.00 0.00 O ATOM 518 CB SER A 35 -0.159 2.054 5.707 1.00 0.00 C ATOM 519 OG SER A 35 -0.260 2.099 7.125 1.00 0.00 O ATOM 0 H SER A 35 0.030 4.951 6.490 1.00 0.00 H new ATOM 0 HA SER A 35 0.033 3.374 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.938 1.406 5.305 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.798 1.617 5.422 1.00 0.00 H new ATOM 0 HG SER A 35 -1.151 1.798 7.399 1.00 0.00 H new ATOM 525 N LYS A 36 -2.160 4.483 3.985 1.00 0.00 N ATOM 526 CA LYS A 36 -3.467 5.096 3.899 1.00 0.00 C ATOM 527 C LYS A 36 -4.431 4.301 3.085 1.00 0.00 C ATOM 528 O LYS A 36 -4.115 3.849 1.991 1.00 0.00 O ATOM 529 CB LYS A 36 -3.407 6.522 3.321 1.00 0.00 C ATOM 530 CG LYS A 36 -2.842 7.648 4.207 1.00 0.00 C ATOM 531 CD LYS A 36 -3.542 7.755 5.570 1.00 0.00 C ATOM 532 CE LYS A 36 -2.818 6.901 6.575 1.00 0.00 C ATOM 533 NZ LYS A 36 -3.434 6.866 7.919 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.636 4.484 3.110 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.821 5.133 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.811 6.486 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.418 6.805 3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.777 7.477 4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.938 8.598 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.557 8.793 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.580 7.433 5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.760 5.883 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.795 7.264 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.760 6.460 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.683 7.832 8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.293 6.281 7.892 1.00 0.00 H new ATOM 547 N ILE A 37 -5.602 4.143 3.625 1.00 0.00 N ATOM 548 CA ILE A 37 -6.711 3.597 2.905 1.00 0.00 C ATOM 549 C ILE A 37 -7.539 4.757 2.506 1.00 0.00 C ATOM 550 O ILE A 37 -8.067 5.488 3.363 1.00 0.00 O ATOM 551 CB ILE A 37 -7.566 2.618 3.746 1.00 0.00 C ATOM 552 CG1 ILE A 37 -6.758 1.389 4.108 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.856 2.223 3.021 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.271 0.582 2.944 1.00 0.00 C ATOM 0 H ILE A 37 -5.816 4.393 4.590 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.344 3.016 2.059 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.853 3.133 4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.897 1.701 4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.367 0.748 4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.428 1.535 3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.451 3.115 2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.609 1.737 2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.704 -0.275 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.123 0.233 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.631 1.200 2.315 1.00 0.00 H new ATOM 566 N ILE A 38 -7.610 4.982 1.250 1.00 0.00 N ATOM 567 CA ILE A 38 -8.335 6.087 0.765 1.00 0.00 C ATOM 568 C ILE A 38 -9.780 5.659 0.702 1.00 0.00 C ATOM 569 O ILE A 38 -10.126 4.720 -0.006 1.00 0.00 O ATOM 570 CB ILE A 38 -7.778 6.549 -0.603 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.221 6.721 -0.516 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.455 7.838 -1.065 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.703 7.584 0.660 1.00 0.00 C ATOM 0 H ILE A 38 -7.169 4.407 0.532 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.241 6.954 1.419 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.999 5.784 -1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.769 5.732 -0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.871 7.164 -1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.044 8.139 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.527 7.670 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.277 8.625 -0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.615 7.635 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.116 8.590 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.013 7.136 1.604 1.00 0.00 H new ATOM 585 N ASN A 39 -10.588 6.296 1.491 1.00 0.00 N ATOM 586 CA ASN A 39 -11.963 5.887 1.695 1.00 0.00 C ATOM 587 C ASN A 39 -12.940 6.821 1.027 1.00 0.00 C ATOM 588 O ASN A 39 -12.564 7.905 0.563 1.00 0.00 O ATOM 589 CB ASN A 39 -12.267 5.777 3.202 1.00 0.00 C ATOM 590 CG ASN A 39 -12.007 7.065 3.970 1.00 0.00 C ATOM 591 OD1 ASN A 39 -12.872 7.910 4.108 1.00 0.00 O ATOM 592 ND2 ASN A 39 -10.803 7.215 4.485 1.00 0.00 N ATOM 0 H ASN A 39 -10.319 7.124 2.022 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.085 4.908 1.231 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.310 5.489 3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.660 4.979 3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.576 8.056 5.015 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.098 6.490 4.353 1.00 0.00 H new ATOM 706 N ARG A 47 -11.989 3.197 -1.293 1.00 0.00 N ATOM 707 CA ARG A 47 -12.199 3.505 -2.716 1.00 0.00 C ATOM 708 C ARG A 47 -11.789 2.291 -3.541 1.00 0.00 C ATOM 709 O ARG A 47 -11.910 2.284 -4.761 1.00 0.00 O ATOM 710 CB ARG A 47 -11.353 4.705 -3.203 1.00 0.00 C ATOM 711 CG ARG A 47 -11.541 6.025 -2.471 1.00 0.00 C ATOM 712 CD ARG A 47 -12.972 6.509 -2.478 1.00 0.00 C ATOM 713 NE ARG A 47 -13.532 6.751 -3.828 1.00 0.00 N ATOM 714 CZ ARG A 47 -14.677 7.445 -4.037 1.00 0.00 C ATOM 715 NH1 ARG A 47 -15.208 8.135 -3.054 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -15.249 7.488 -5.238 1.00 0.00 N ATOM 0 HA ARG A 47 -13.252 3.758 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.301 4.427 -3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.573 4.868 -4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.207 5.912 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.906 6.782 -2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.593 5.774 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.033 7.433 -1.902 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.033 6.379 -4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.759 8.147 -2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.070 8.659 -3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.826 6.993 -6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.111 8.016 -5.374 1.00 0.00 H new ATOM 730 N GLY A 48 -11.289 1.281 -2.852 1.00 0.00 N ATOM 731 CA GLY A 48 -10.841 0.086 -3.484 1.00 0.00 C ATOM 732 C GLY A 48 -9.351 0.088 -3.658 1.00 0.00 C ATOM 733 O GLY A 48 -8.796 -0.800 -4.303 1.00 0.00 O ATOM 0 H GLY A 48 -11.188 1.281 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.139 -0.777 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.323 -0.017 -4.456 1.00 0.00 H new ATOM 737 N PHE A 49 -8.685 1.067 -3.067 1.00 0.00 N ATOM 738 CA PHE A 49 -7.251 1.157 -3.164 1.00 0.00 C ATOM 739 C PHE A 49 -6.694 1.958 -1.989 1.00 0.00 C ATOM 740 O PHE A 49 -7.455 2.595 -1.234 1.00 0.00 O ATOM 741 CB PHE A 49 -6.804 1.780 -4.515 1.00 0.00 C ATOM 742 CG PHE A 49 -6.949 3.270 -4.623 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.172 3.859 -4.883 1.00 0.00 C ATOM 744 CD2 PHE A 49 -5.841 4.074 -4.454 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.284 5.235 -4.973 1.00 0.00 C ATOM 746 CE2 PHE A 49 -5.942 5.446 -4.541 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.167 6.030 -4.801 1.00 0.00 C ATOM 0 H PHE A 49 -9.121 1.807 -2.517 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.848 0.145 -3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.759 1.522 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.381 1.318 -5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.047 3.240 -5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.881 3.622 -4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.243 5.687 -5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.066 6.063 -4.406 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.251 7.105 -4.870 1.00 0.00 H new ATOM 757 N GLY A 50 -5.402 1.907 -1.832 1.00 0.00 N ATOM 758 CA GLY A 50 -4.728 2.615 -0.798 1.00 0.00 C ATOM 759 C GLY A 50 -3.268 2.797 -1.140 1.00 0.00 C ATOM 760 O GLY A 50 -2.812 2.347 -2.201 1.00 0.00 O ATOM 0 H GLY A 50 -4.783 1.362 -2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.196 3.588 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.821 2.072 0.142 1.00 0.00 H new ATOM 764 N PHE A 51 -2.539 3.423 -0.260 1.00 0.00 N ATOM 765 CA PHE A 51 -1.132 3.681 -0.465 1.00 0.00 C ATOM 766 C PHE A 51 -0.329 3.191 0.708 1.00 0.00 C ATOM 767 O PHE A 51 -0.729 3.371 1.858 1.00 0.00 O ATOM 768 CB PHE A 51 -0.849 5.175 -0.656 1.00 0.00 C ATOM 769 CG PHE A 51 -1.363 5.773 -1.931 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.653 5.624 -3.110 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.541 6.499 -1.951 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.107 6.184 -4.283 1.00 0.00 C ATOM 773 CE2 PHE A 51 -3.001 7.066 -3.122 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.282 6.908 -4.291 1.00 0.00 C ATOM 0 H PHE A 51 -2.901 3.773 0.627 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.843 3.147 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.285 5.719 0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.229 5.331 -0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.269 5.061 -3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.107 6.623 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.544 6.057 -5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.921 7.632 -3.125 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.639 7.350 -5.209 1.00 0.00 H new ATOM 784 N VAL A 52 0.789 2.587 0.423 1.00 0.00 N ATOM 785 CA VAL A 52 1.692 2.119 1.452 1.00 0.00 C ATOM 786 C VAL A 52 2.984 2.902 1.310 1.00 0.00 C ATOM 787 O VAL A 52 3.431 3.154 0.186 1.00 0.00 O ATOM 788 CB VAL A 52 1.983 0.597 1.328 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.789 0.104 2.518 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.695 -0.195 1.199 1.00 0.00 C ATOM 0 H VAL A 52 1.107 2.402 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 52 1.234 2.273 2.429 1.00 0.00 H new ATOM 0 HB VAL A 52 2.571 0.443 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.981 -0.964 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.737 0.640 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.228 0.281 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.928 -1.256 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.076 -0.029 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.155 0.131 0.310 1.00 0.00 H new ATOM 800 N THR A 53 3.542 3.320 2.399 1.00 0.00 N ATOM 801 CA THR A 53 4.713 4.134 2.382 1.00 0.00 C ATOM 802 C THR A 53 5.883 3.455 3.063 1.00 0.00 C ATOM 803 O THR A 53 5.814 3.105 4.245 1.00 0.00 O ATOM 804 CB THR A 53 4.412 5.434 3.093 1.00 0.00 C ATOM 805 OG1 THR A 53 3.197 5.952 2.559 1.00 0.00 O ATOM 806 CG2 THR A 53 5.533 6.427 2.881 1.00 0.00 C ATOM 0 H THR A 53 3.195 3.104 3.334 1.00 0.00 H new ATOM 0 HA THR A 53 4.989 4.312 1.343 1.00 0.00 H new ATOM 0 HB THR A 53 4.317 5.260 4.165 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.457 5.741 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.299 7.356 3.400 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.463 6.016 3.275 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.647 6.625 1.815 1.00 0.00 H new ATOM 814 N PHE A 54 6.936 3.301 2.325 1.00 0.00 N ATOM 815 CA PHE A 54 8.158 2.728 2.802 1.00 0.00 C ATOM 816 C PHE A 54 9.232 3.781 2.788 1.00 0.00 C ATOM 817 O PHE A 54 9.073 4.813 2.143 1.00 0.00 O ATOM 818 CB PHE A 54 8.596 1.591 1.900 1.00 0.00 C ATOM 819 CG PHE A 54 7.759 0.351 1.983 1.00 0.00 C ATOM 820 CD1 PHE A 54 6.655 0.184 1.166 1.00 0.00 C ATOM 821 CD2 PHE A 54 8.086 -0.657 2.870 1.00 0.00 C ATOM 822 CE1 PHE A 54 5.900 -0.963 1.234 1.00 0.00 C ATOM 823 CE2 PHE A 54 7.332 -1.803 2.945 1.00 0.00 C ATOM 824 CZ PHE A 54 6.240 -1.957 2.128 1.00 0.00 C ATOM 0 H PHE A 54 6.972 3.578 1.344 1.00 0.00 H new ATOM 0 HA PHE A 54 7.997 2.351 3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.592 1.944 0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.626 1.332 2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.384 0.962 0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.946 -0.542 3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.043 -1.086 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.598 -2.581 3.645 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.646 -2.857 2.185 1.00 0.00 H new ATOM 834 N LYS A 55 10.318 3.546 3.483 1.00 0.00 N ATOM 835 CA LYS A 55 11.412 4.491 3.443 1.00 0.00 C ATOM 836 C LYS A 55 12.439 4.023 2.428 1.00 0.00 C ATOM 837 O LYS A 55 13.083 4.824 1.761 1.00 0.00 O ATOM 838 CB LYS A 55 12.062 4.662 4.815 1.00 0.00 C ATOM 839 CG LYS A 55 12.944 5.910 4.923 1.00 0.00 C ATOM 840 CD LYS A 55 13.611 6.040 6.291 1.00 0.00 C ATOM 841 CE LYS A 55 14.975 5.341 6.367 1.00 0.00 C ATOM 842 NZ LYS A 55 14.935 3.894 6.079 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.469 2.727 4.072 1.00 0.00 H new ATOM 0 HA LYS A 55 11.017 5.463 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.281 4.712 5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.665 3.781 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.712 5.876 4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.339 6.796 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.738 7.096 6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.952 5.620 7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.655 5.821 5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.391 5.489 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.842 3.462 6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.167 3.453 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.767 3.747 5.063 1.00 0.00 H new ATOM 856 N ASP A 56 12.582 2.717 2.303 1.00 0.00 N ATOM 857 CA ASP A 56 13.515 2.179 1.346 1.00 0.00 C ATOM 858 C ASP A 56 12.823 1.626 0.124 1.00 0.00 C ATOM 859 O ASP A 56 11.769 0.984 0.195 1.00 0.00 O ATOM 860 CB ASP A 56 14.484 1.136 1.935 1.00 0.00 C ATOM 861 CG ASP A 56 15.374 0.520 0.852 1.00 0.00 C ATOM 862 OD1 ASP A 56 16.280 1.204 0.318 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 15.113 -0.614 0.452 1.00 0.00 O ATOM 0 H ASP A 56 12.070 2.022 2.846 1.00 0.00 H new ATOM 0 HA ASP A 56 14.123 3.032 1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.108 1.606 2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.915 0.349 2.431 1.00 0.00 H new ATOM 868 N GLU A 57 13.451 1.903 -0.964 1.00 0.00 N ATOM 869 CA GLU A 57 13.110 1.520 -2.305 1.00 0.00 C ATOM 870 C GLU A 57 12.889 -0.002 -2.440 1.00 0.00 C ATOM 871 O GLU A 57 11.870 -0.454 -2.948 1.00 0.00 O ATOM 872 CB GLU A 57 14.320 1.918 -3.092 1.00 0.00 C ATOM 873 CG GLU A 57 14.388 1.474 -4.503 1.00 0.00 C ATOM 874 CD GLU A 57 15.825 1.482 -4.912 1.00 0.00 C ATOM 875 OE1 GLU A 57 16.595 0.636 -4.354 1.00 0.00 O ATOM 876 OE2 GLU A 57 16.220 2.332 -5.688 1.00 0.00 O1- ATOM 0 H GLU A 57 14.305 2.460 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 57 12.182 1.986 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.390 3.006 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.200 1.535 -2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.965 0.475 -4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.805 2.138 -5.141 1.00 0.00 H new ATOM 883 N LYS A 58 13.822 -0.767 -1.929 1.00 0.00 N ATOM 884 CA LYS A 58 13.837 -2.206 -2.088 1.00 0.00 C ATOM 885 C LYS A 58 12.874 -2.844 -1.148 1.00 0.00 C ATOM 886 O LYS A 58 12.240 -3.835 -1.491 1.00 0.00 O ATOM 887 CB LYS A 58 15.239 -2.705 -1.870 1.00 0.00 C ATOM 888 CG LYS A 58 16.170 -2.269 -2.982 1.00 0.00 C ATOM 889 CD LYS A 58 17.631 -2.215 -2.543 1.00 0.00 C ATOM 890 CE LYS A 58 17.846 -1.152 -1.456 1.00 0.00 C ATOM 891 NZ LYS A 58 17.457 0.217 -1.903 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.604 -0.406 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 58 13.523 -2.472 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.613 -2.333 -0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.232 -3.793 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.073 -2.957 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.866 -1.285 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.936 -3.191 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.264 -1.993 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.266 -1.419 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.895 -1.148 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.291 0.838 -1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.079 0.172 -2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.730 0.597 -1.264 1.00 0.00 H new ATOM 905 N ALA A 59 12.747 -2.253 0.027 1.00 0.00 N ATOM 906 CA ALA A 59 11.754 -2.676 1.001 1.00 0.00 C ATOM 907 C ALA A 59 10.363 -2.542 0.382 1.00 0.00 C ATOM 908 O ALA A 59 9.477 -3.351 0.617 1.00 0.00 O ATOM 909 CB ALA A 59 11.862 -1.829 2.258 1.00 0.00 C ATOM 0 H ALA A 59 13.325 -1.470 0.333 1.00 0.00 H new ATOM 0 HA ALA A 59 11.927 -3.716 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.114 -2.154 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.857 -1.943 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.693 -0.782 2.007 1.00 0.00 H new ATOM 915 N MET A 60 10.201 -1.509 -0.433 1.00 0.00 N ATOM 916 CA MET A 60 8.973 -1.301 -1.163 1.00 0.00 C ATOM 917 C MET A 60 8.854 -2.317 -2.298 1.00 0.00 C ATOM 918 O MET A 60 7.799 -2.885 -2.506 1.00 0.00 O ATOM 919 CB MET A 60 8.911 0.113 -1.737 1.00 0.00 C ATOM 920 CG MET A 60 7.633 0.398 -2.513 1.00 0.00 C ATOM 921 SD MET A 60 7.630 2.013 -3.306 1.00 0.00 S ATOM 922 CE MET A 60 9.037 1.843 -4.408 1.00 0.00 C ATOM 0 H MET A 60 10.915 -0.800 -0.601 1.00 0.00 H new ATOM 0 HA MET A 60 8.143 -1.433 -0.468 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.000 0.832 -0.922 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.767 0.268 -2.393 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.497 -0.372 -3.272 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.782 0.332 -1.835 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.034 2.659 -5.130 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.959 1.875 -3.828 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.973 0.891 -4.936 1.00 0.00 H new ATOM 932 N ARG A 61 9.953 -2.542 -3.019 1.00 0.00 N ATOM 933 CA ARG A 61 9.950 -3.479 -4.150 1.00 0.00 C ATOM 934 C ARG A 61 9.573 -4.879 -3.745 1.00 0.00 C ATOM 935 O ARG A 61 8.700 -5.465 -4.353 1.00 0.00 O ATOM 936 CB ARG A 61 11.267 -3.496 -4.933 1.00 0.00 C ATOM 937 CG ARG A 61 11.599 -2.205 -5.661 1.00 0.00 C ATOM 938 CD ARG A 61 10.414 -1.681 -6.473 1.00 0.00 C ATOM 939 NE ARG A 61 9.800 -2.691 -7.367 1.00 0.00 N ATOM 940 CZ ARG A 61 9.153 -2.400 -8.497 1.00 0.00 C ATOM 941 NH1 ARG A 61 9.065 -1.134 -8.920 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 8.537 -3.363 -9.168 1.00 0.00 N ATOM 0 H ARG A 61 10.852 -2.093 -2.844 1.00 0.00 H new ATOM 0 HA ARG A 61 9.178 -3.096 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.079 -3.725 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.229 -4.306 -5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.904 -1.449 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.447 -2.372 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.653 -1.308 -5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.745 -0.833 -7.073 1.00 0.00 H new ATOM 0 HE ARG A 61 9.877 -3.673 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.494 -0.384 -8.378 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.569 -0.919 -9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.559 -4.322 -8.820 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.041 -3.145 -10.032 1.00 0.00 H new ATOM 956 N ASP A 62 10.198 -5.398 -2.697 1.00 0.00 N ATOM 957 CA ASP A 62 9.878 -6.768 -2.217 1.00 0.00 C ATOM 958 C ASP A 62 8.388 -6.874 -1.851 1.00 0.00 C ATOM 959 O ASP A 62 7.740 -7.893 -2.075 1.00 0.00 O ATOM 960 CB ASP A 62 10.757 -7.160 -1.022 1.00 0.00 C ATOM 961 CG ASP A 62 10.556 -8.613 -0.597 1.00 0.00 C ATOM 962 OD1 ASP A 62 11.106 -9.510 -1.274 1.00 0.00 O ATOM 963 OD2 ASP A 62 9.877 -8.852 0.420 1.00 0.00 O1- ATOM 0 H ASP A 62 10.919 -4.915 -2.160 1.00 0.00 H new ATOM 0 HA ASP A 62 10.089 -7.466 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.804 -7.002 -1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.533 -6.505 -0.180 1.00 0.00 H new ATOM 968 N ALA A 63 7.828 -5.759 -1.397 1.00 0.00 N ATOM 969 CA ALA A 63 6.429 -5.694 -1.040 1.00 0.00 C ATOM 970 C ALA A 63 5.561 -5.726 -2.285 1.00 0.00 C ATOM 971 O ALA A 63 4.459 -6.235 -2.267 1.00 0.00 O ATOM 972 CB ALA A 63 6.150 -4.436 -0.257 1.00 0.00 C ATOM 0 H ALA A 63 8.334 -4.882 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 63 6.191 -6.560 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.093 -4.398 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.751 -4.433 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.404 -3.566 -0.863 1.00 0.00 H new ATOM 978 N ILE A 64 6.059 -5.169 -3.354 1.00 0.00 N ATOM 979 CA ILE A 64 5.344 -5.161 -4.608 1.00 0.00 C ATOM 980 C ILE A 64 5.427 -6.540 -5.235 1.00 0.00 C ATOM 981 O ILE A 64 4.406 -7.206 -5.432 1.00 0.00 O ATOM 982 CB ILE A 64 5.930 -4.095 -5.572 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.829 -2.711 -4.929 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.196 -4.113 -6.918 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.561 -1.631 -5.674 1.00 0.00 C ATOM 0 H ILE A 64 6.968 -4.708 -3.385 1.00 0.00 H new ATOM 0 HA ILE A 64 4.301 -4.905 -4.422 1.00 0.00 H new ATOM 0 HB ILE A 64 6.978 -4.330 -5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.777 -2.435 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.220 -2.765 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.625 -3.357 -7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.302 -5.096 -7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.139 -3.898 -6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.439 -0.682 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.620 -1.881 -5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.155 -1.545 -6.682 1.00 0.00 H new ATOM 997 N GLU A 65 6.645 -6.993 -5.430 1.00 0.00 N ATOM 998 CA GLU A 65 6.936 -8.261 -6.053 1.00 0.00 C ATOM 999 C GLU A 65 6.352 -9.465 -5.271 1.00 0.00 C ATOM 1000 O GLU A 65 5.975 -10.469 -5.870 1.00 0.00 O ATOM 1001 CB GLU A 65 8.461 -8.414 -6.257 1.00 0.00 C ATOM 1002 CG GLU A 65 9.067 -7.716 -7.506 1.00 0.00 C ATOM 1003 CD GLU A 65 8.863 -6.201 -7.604 1.00 0.00 C ATOM 1004 OE1 GLU A 65 9.688 -5.422 -7.072 1.00 0.00 O ATOM 1005 OE2 GLU A 65 7.919 -5.765 -8.277 1.00 0.00 O1- ATOM 0 H GLU A 65 7.479 -6.476 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 65 6.443 -8.265 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.964 -8.026 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.692 -9.478 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.138 -7.919 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.639 -8.177 -8.396 1.00 0.00 H new ATOM 1012 N GLY A 66 6.261 -9.348 -3.952 1.00 0.00 N ATOM 1013 CA GLY A 66 5.764 -10.452 -3.142 1.00 0.00 C ATOM 1014 C GLY A 66 4.291 -10.347 -2.727 1.00 0.00 C ATOM 1015 O GLY A 66 3.763 -11.256 -2.098 1.00 0.00 O ATOM 0 H GLY A 66 6.521 -8.513 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.903 -11.380 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.374 -10.524 -2.242 1.00 0.00 H new ATOM 1019 N MET A 67 3.632 -9.249 -3.046 1.00 0.00 N ATOM 1020 CA MET A 67 2.216 -9.077 -2.637 1.00 0.00 C ATOM 1021 C MET A 67 1.294 -8.895 -3.853 1.00 0.00 C ATOM 1022 O MET A 67 0.088 -9.143 -3.777 1.00 0.00 O ATOM 1023 CB MET A 67 2.087 -7.873 -1.684 1.00 0.00 C ATOM 1024 CG MET A 67 0.689 -7.570 -1.163 1.00 0.00 C ATOM 1025 SD MET A 67 0.039 -8.761 0.029 1.00 0.00 S ATOM 1026 CE MET A 67 1.137 -8.503 1.419 1.00 0.00 C ATOM 0 H MET A 67 4.026 -8.470 -3.574 1.00 0.00 H new ATOM 0 HA MET A 67 1.903 -9.983 -2.119 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.741 -8.042 -0.829 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.459 -6.988 -2.200 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.697 -6.583 -0.700 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.006 -7.518 -2.011 1.00 0.00 H new ATOM 0 HE1 MET A 67 0.623 -8.767 2.343 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.022 -9.129 1.305 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.436 -7.455 1.457 1.00 0.00 H new ATOM 1036 N ASN A 68 1.851 -8.450 -4.958 1.00 0.00 N ATOM 1037 CA ASN A 68 1.061 -8.216 -6.171 1.00 0.00 C ATOM 1038 C ASN A 68 0.518 -9.526 -6.735 1.00 0.00 C ATOM 1039 O ASN A 68 1.287 -10.398 -7.130 1.00 0.00 O ATOM 1040 CB ASN A 68 1.913 -7.534 -7.250 1.00 0.00 C ATOM 1041 CG ASN A 68 1.118 -7.162 -8.489 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.066 -6.836 -8.410 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.755 -7.205 -9.634 1.00 0.00 N ATOM 0 H ASN A 68 2.845 -8.240 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 68 0.229 -7.569 -5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.366 -6.635 -6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.729 -8.199 -7.535 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.269 -6.964 -10.498 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.737 -7.480 -9.661 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.793 -9.663 -6.761 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.385 -10.839 -7.348 1.00 0.00 C ATOM 1052 C GLY A 69 -2.031 -11.758 -6.340 1.00 0.00 C ATOM 1053 O GLY A 69 -2.729 -12.706 -6.719 1.00 0.00 O ATOM 0 H GLY A 69 -1.456 -8.984 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.133 -10.533 -8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.617 -11.390 -7.890 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.820 -11.509 -5.065 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.428 -12.354 -4.054 1.00 0.00 C ATOM 1059 C GLN A 70 -3.656 -11.710 -3.430 1.00 0.00 C ATOM 1060 O GLN A 70 -4.001 -10.569 -3.750 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.423 -12.848 -3.006 1.00 0.00 C ATOM 1062 CG GLN A 70 -0.636 -11.790 -2.288 1.00 0.00 C ATOM 1063 CD GLN A 70 0.287 -12.401 -1.257 1.00 0.00 C ATOM 1064 OE1 GLN A 70 0.755 -13.521 -1.407 1.00 0.00 O ATOM 1065 NE2 GLN A 70 0.540 -11.688 -0.211 1.00 0.00 N ATOM 0 H GLN A 70 -1.245 -10.746 -4.707 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.776 -13.247 -4.573 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.964 -13.435 -2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.721 -13.523 -3.496 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.053 -11.216 -3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.318 -11.093 -1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.133 -10.757 -0.118 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.147 -12.055 0.522 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.323 -12.444 -2.564 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.572 -11.991 -1.967 1.00 0.00 C ATOM 1076 C ASP A 71 -5.325 -11.539 -0.535 1.00 0.00 C ATOM 1077 O ASP A 71 -4.603 -12.201 0.218 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.625 -13.125 -2.017 1.00 0.00 C ATOM 1079 CG ASP A 71 -8.036 -12.677 -1.636 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -8.299 -12.478 -0.434 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.907 -12.548 -2.567 1.00 0.00 O1- ATOM 0 H ASP A 71 -4.021 -13.367 -2.252 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.958 -11.143 -2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.646 -13.543 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.315 -13.926 -1.345 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.871 -10.405 -0.194 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.749 -9.820 1.109 1.00 0.00 C ATOM 1088 C LEU A 72 -7.101 -9.246 1.514 1.00 0.00 C ATOM 1089 O LEU A 72 -7.711 -8.495 0.752 1.00 0.00 O ATOM 1090 CB LEU A 72 -4.685 -8.709 1.098 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.420 -7.992 2.433 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.870 -8.956 3.477 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.470 -6.819 2.234 1.00 0.00 C ATOM 0 H LEU A 72 -6.431 -9.846 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.440 -10.581 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.746 -9.141 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.982 -7.961 0.363 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.372 -7.608 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.693 -8.420 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.590 -9.756 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.933 -9.383 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.296 -6.326 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.523 -7.182 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.910 -6.109 1.534 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.571 -9.656 2.692 1.00 0.00 N ATOM 1106 CA ASP A 73 -8.862 -9.207 3.301 1.00 0.00 C ATOM 1107 C ASP A 73 -10.053 -9.618 2.411 1.00 0.00 C ATOM 1108 O ASP A 73 -11.152 -9.089 2.498 1.00 0.00 O ATOM 1109 CB ASP A 73 -8.824 -7.660 3.535 1.00 0.00 C ATOM 1110 CG ASP A 73 -10.036 -7.084 4.271 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -10.286 -7.492 5.408 1.00 0.00 O ATOM 1112 OD2 ASP A 73 -10.699 -6.150 3.717 1.00 0.00 O1- ATOM 0 H ASP A 73 -7.068 -10.324 3.277 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.995 -9.695 4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.925 -7.416 4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.736 -7.164 2.568 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.853 -10.654 1.632 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.905 -11.128 0.793 1.00 0.00 C ATOM 1119 C GLY A 74 -10.818 -10.580 -0.613 1.00 0.00 C ATOM 1120 O GLY A 74 -11.678 -10.890 -1.451 1.00 0.00 O ATOM 0 H GLY A 74 -8.978 -11.174 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.874 -12.217 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.865 -10.851 1.228 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.821 -9.733 -0.890 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.626 -9.225 -2.230 1.00 0.00 C ATOM 1126 C ARG A 75 -8.268 -9.364 -2.792 1.00 0.00 C ATOM 1127 O ARG A 75 -7.269 -9.238 -2.120 1.00 0.00 O ATOM 1128 CB ARG A 75 -10.218 -7.859 -2.518 1.00 0.00 C ATOM 1129 CG ARG A 75 -11.715 -7.870 -2.800 1.00 0.00 C ATOM 1130 CD ARG A 75 -12.084 -8.662 -4.071 1.00 0.00 C ATOM 1131 NE ARG A 75 -11.713 -10.091 -3.980 1.00 0.00 N ATOM 1132 CZ ARG A 75 -11.245 -10.855 -4.962 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -11.439 -10.508 -6.242 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -10.573 -11.973 -4.659 1.00 0.00 N ATOM 0 H ARG A 75 -9.148 -9.394 -0.203 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.241 -9.934 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.026 -7.206 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.702 -7.426 -3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.237 -8.301 -1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.067 -6.844 -2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.157 -8.580 -4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.585 -8.215 -4.931 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.828 -10.536 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.948 -9.653 -6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.077 -11.099 -6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.425 -12.230 -3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.209 -12.567 -5.404 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.268 -9.594 -4.067 1.00 0.00 N ATOM 1149 CA ASN A 76 -7.053 -9.821 -4.824 1.00 0.00 C ATOM 1150 C ASN A 76 -6.508 -8.500 -5.210 1.00 0.00 C ATOM 1151 O ASN A 76 -7.133 -7.745 -5.961 1.00 0.00 O ATOM 1152 CB ASN A 76 -7.311 -10.706 -6.046 1.00 0.00 C ATOM 1153 CG ASN A 76 -6.031 -11.094 -6.766 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -5.587 -10.420 -7.675 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -5.445 -12.193 -6.359 1.00 0.00 N ATOM 0 H ASN A 76 -9.118 -9.632 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.326 -10.357 -4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.835 -11.609 -5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.968 -10.180 -6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.586 -12.509 -6.809 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.848 -12.732 -5.593 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.374 -8.220 -4.683 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.809 -6.930 -4.764 1.00 0.00 C ATOM 1164 C ILE A 77 -3.716 -6.806 -5.805 1.00 0.00 C ATOM 1165 O ILE A 77 -2.880 -7.708 -6.003 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.288 -6.484 -3.390 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.339 -7.534 -2.812 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.455 -6.264 -2.442 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.637 -7.084 -1.576 1.00 0.00 C ATOM 0 H ILE A 77 -4.804 -8.895 -4.174 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.614 -6.269 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.741 -5.549 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.903 -8.440 -2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.597 -7.797 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.079 -5.948 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.111 -5.493 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.013 -7.193 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.980 -7.878 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.045 -6.196 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.371 -6.849 -0.806 1.00 0.00 H new ATOM 1181 N THR A 78 -3.729 -5.685 -6.448 1.00 0.00 N ATOM 1182 CA THR A 78 -2.765 -5.325 -7.420 1.00 0.00 C ATOM 1183 C THR A 78 -1.845 -4.297 -6.776 1.00 0.00 C ATOM 1184 O THR A 78 -2.274 -3.187 -6.414 1.00 0.00 O ATOM 1185 CB THR A 78 -3.457 -4.708 -8.647 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.490 -5.592 -9.095 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.462 -4.483 -9.782 1.00 0.00 C ATOM 0 H THR A 78 -4.442 -4.971 -6.301 1.00 0.00 H new ATOM 0 HA THR A 78 -2.205 -6.199 -7.752 1.00 0.00 H new ATOM 0 HB THR A 78 -3.878 -3.744 -8.361 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.937 -5.204 -9.876 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.978 -4.046 -10.637 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.676 -3.806 -9.448 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.021 -5.436 -10.073 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.614 -4.655 -6.628 1.00 0.00 N ATOM 1196 CA VAL A 79 0.349 -3.821 -5.963 1.00 0.00 C ATOM 1197 C VAL A 79 1.320 -3.294 -6.996 1.00 0.00 C ATOM 1198 O VAL A 79 1.889 -4.060 -7.762 1.00 0.00 O ATOM 1199 CB VAL A 79 1.120 -4.623 -4.868 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.113 -3.748 -4.137 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.161 -5.260 -3.875 1.00 0.00 C ATOM 0 H VAL A 79 -0.238 -5.541 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.166 -2.996 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 79 1.669 -5.414 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.632 -4.339 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.838 -3.349 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.586 -2.925 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.727 -5.812 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.427 -4.483 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.506 -5.943 -4.401 1.00 0.00 H new ATOM 1211 N ASN A 80 1.465 -2.001 -7.053 1.00 0.00 N ATOM 1212 CA ASN A 80 2.368 -1.384 -7.994 1.00 0.00 C ATOM 1213 C ASN A 80 3.080 -0.224 -7.343 1.00 0.00 C ATOM 1214 O ASN A 80 2.771 0.154 -6.208 1.00 0.00 O ATOM 1215 CB ASN A 80 1.663 -0.946 -9.302 1.00 0.00 C ATOM 1216 CG ASN A 80 0.613 0.134 -9.116 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.910 1.311 -9.159 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.620 -0.263 -8.940 1.00 0.00 N ATOM 0 H ASN A 80 0.965 -1.344 -6.454 1.00 0.00 H new ATOM 0 HA ASN A 80 3.102 -2.136 -8.283 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.416 -0.587 -10.004 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.193 -1.818 -9.757 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.367 0.424 -8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.835 -1.260 -8.909 1.00 0.00 H new ATOM 1225 N GLU A 81 4.022 0.321 -8.030 1.00 0.00 N ATOM 1226 CA GLU A 81 4.838 1.369 -7.506 1.00 0.00 C ATOM 1227 C GLU A 81 4.259 2.723 -7.886 1.00 0.00 C ATOM 1228 O GLU A 81 3.986 2.986 -9.052 1.00 0.00 O ATOM 1229 CB GLU A 81 6.242 1.204 -8.070 1.00 0.00 C ATOM 1230 CG GLU A 81 7.267 2.184 -7.558 1.00 0.00 C ATOM 1231 CD GLU A 81 8.625 1.884 -8.127 1.00 0.00 C ATOM 1232 OE1 GLU A 81 9.360 1.078 -7.521 1.00 0.00 O1- ATOM 1233 OE2 GLU A 81 8.941 2.389 -9.191 1.00 0.00 O ATOM 0 H GLU A 81 4.254 0.050 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 81 4.871 1.316 -6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.588 0.194 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.191 1.292 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.972 3.199 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.306 2.140 -6.470 1.00 0.00 H new ATOM 1240 N ALA A 82 4.095 3.590 -6.904 1.00 0.00 N ATOM 1241 CA ALA A 82 3.600 4.935 -7.139 1.00 0.00 C ATOM 1242 C ALA A 82 4.814 5.838 -7.329 1.00 0.00 C ATOM 1243 O ALA A 82 4.951 6.891 -6.696 1.00 0.00 O ATOM 1244 CB ALA A 82 2.737 5.395 -5.967 1.00 0.00 C ATOM 0 H ALA A 82 4.300 3.384 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 82 2.969 4.971 -8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.373 6.405 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.889 4.719 -5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.331 5.390 -5.053 1.00 0.00 H new