USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 583 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 28 ASN : amide:sc= -1.14 K(o=-1.1,f=-4.8!) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.327) USER MOD Single : A 36 GLN : amide:sc= -0.882 X(o=-0.88,f=-0.75) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 173:sc= 1.34 USER MOD Single : A 42 GLN : amide:sc=-0.00118 X(o=-0.0012,f=-0.49) USER MOD Single : A 47 GLN : amide:sc= -1.73 K(o=-1.7,f=-5.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -4.71! C(o=-4.7!,f=-5.3!) USER MOD Single : A 69 TYR OH : rot 30:sc= 0.166 USER MOD Single : A 72 CYS SG : rot 45:sc= -3.3! USER MOD Single : A 76 GLN : amide:sc= -2.66 X(o=-2.7,f=-3.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -178:sc= -0.284 (180deg=-0.3) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.917 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 103 N VAL A 11 -1.844 -8.061 -7.352 1.00 0.00 N ATOM 104 CA VAL A 11 -1.576 -8.806 -6.127 1.00 0.00 C ATOM 105 C VAL A 11 -0.534 -8.098 -5.269 1.00 0.00 C ATOM 106 O VAL A 11 0.072 -7.116 -5.695 1.00 0.00 O ATOM 107 CB VAL A 11 -1.087 -10.233 -6.434 1.00 0.00 C ATOM 108 CG1 VAL A 11 -2.194 -11.051 -7.082 1.00 0.00 C ATOM 109 CG2 VAL A 11 0.147 -10.193 -7.324 1.00 0.00 C ATOM 0 HA VAL A 11 -2.517 -8.862 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.815 -10.714 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.829 -12.056 -7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.047 -11.108 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.500 -10.575 -8.014 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.479 -11.210 -7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.097 -9.693 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.943 -9.647 -6.818 1.00 0.00 H new ATOM 119 N GLY A 12 -0.330 -8.605 -4.058 1.00 0.00 N ATOM 120 CA GLY A 12 0.640 -8.010 -3.159 1.00 0.00 C ATOM 121 C GLY A 12 1.994 -8.690 -3.235 1.00 0.00 C ATOM 122 O GLY A 12 2.258 -9.457 -4.160 1.00 0.00 O ATOM 0 H GLY A 12 -0.819 -9.418 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.754 -6.953 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.266 -8.066 -2.137 1.00 0.00 H new ATOM 126 N ASP A 13 2.851 -8.409 -2.259 1.00 0.00 N ATOM 127 CA ASP A 13 4.183 -9.000 -2.221 1.00 0.00 C ATOM 128 C ASP A 13 4.264 -10.092 -1.157 1.00 0.00 C ATOM 129 O ASP A 13 3.295 -10.347 -0.443 1.00 0.00 O ATOM 130 CB ASP A 13 5.235 -7.922 -1.948 1.00 0.00 C ATOM 131 CG ASP A 13 6.400 -7.995 -2.916 1.00 0.00 C ATOM 132 OD1 ASP A 13 6.173 -7.816 -4.131 1.00 0.00 O ATOM 133 OD2 ASP A 13 7.539 -8.228 -2.459 1.00 0.00 O ATOM 0 H ASP A 13 2.647 -7.777 -1.485 1.00 0.00 H new ATOM 0 HA ASP A 13 4.382 -9.451 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.770 -6.938 -2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.606 -8.029 -0.929 1.00 0.00 H new ATOM 138 N ASP A 14 5.424 -10.732 -1.057 1.00 0.00 N ATOM 139 CA ASP A 14 5.629 -11.795 -0.081 1.00 0.00 C ATOM 140 C ASP A 14 6.518 -11.320 1.065 1.00 0.00 C ATOM 141 O ASP A 14 7.400 -12.046 1.523 1.00 0.00 O ATOM 142 CB ASP A 14 6.254 -13.019 -0.754 1.00 0.00 C ATOM 143 CG ASP A 14 5.934 -14.308 -0.023 1.00 0.00 C ATOM 144 OD1 ASP A 14 4.822 -14.412 0.537 1.00 0.00 O ATOM 145 OD2 ASP A 14 6.794 -15.214 -0.011 1.00 0.00 O ATOM 0 H ASP A 14 6.237 -10.533 -1.640 1.00 0.00 H new ATOM 0 HA ASP A 14 4.657 -12.070 0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.895 -13.088 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.335 -12.891 -0.802 1.00 0.00 H new ATOM 150 N PHE A 15 6.279 -10.096 1.525 1.00 0.00 N ATOM 151 CA PHE A 15 7.056 -9.524 2.617 1.00 0.00 C ATOM 152 C PHE A 15 6.457 -8.200 3.078 1.00 0.00 C ATOM 153 O PHE A 15 5.647 -7.596 2.375 1.00 0.00 O ATOM 154 CB PHE A 15 8.509 -9.317 2.185 1.00 0.00 C ATOM 155 CG PHE A 15 9.492 -9.425 3.315 1.00 0.00 C ATOM 156 CD1 PHE A 15 9.841 -10.662 3.832 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.068 -8.289 3.860 1.00 0.00 C ATOM 158 CE1 PHE A 15 10.746 -10.765 4.872 1.00 0.00 C ATOM 159 CE2 PHE A 15 10.974 -8.384 4.900 1.00 0.00 C ATOM 160 CZ PHE A 15 11.312 -9.624 5.407 1.00 0.00 C ATOM 0 H PHE A 15 5.553 -9.481 1.158 1.00 0.00 H new ATOM 0 HA PHE A 15 7.029 -10.224 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.761 -10.054 1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.606 -8.335 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.401 -11.557 3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.806 -7.317 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.010 -11.736 5.265 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.417 -7.491 5.315 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.018 -9.701 6.221 1.00 0.00 H new ATOM 170 N LEU A 16 6.860 -7.753 4.262 1.00 0.00 N ATOM 171 CA LEU A 16 6.363 -6.499 4.818 1.00 0.00 C ATOM 172 C LEU A 16 7.517 -5.568 5.179 1.00 0.00 C ATOM 173 O LEU A 16 8.612 -6.021 5.509 1.00 0.00 O ATOM 174 CB LEU A 16 5.501 -6.770 6.053 1.00 0.00 C ATOM 175 CG LEU A 16 3.995 -6.833 5.788 1.00 0.00 C ATOM 176 CD1 LEU A 16 3.304 -7.694 6.834 1.00 0.00 C ATOM 177 CD2 LEU A 16 3.399 -5.434 5.768 1.00 0.00 C ATOM 0 H LEU A 16 7.530 -8.241 4.856 1.00 0.00 H new ATOM 0 HA LEU A 16 5.752 -6.010 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.816 -7.714 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.693 -5.990 6.790 1.00 0.00 H new ATOM 0 HG LEU A 16 3.836 -7.288 4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.234 -7.727 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.711 -8.705 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.471 -7.269 7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.328 -5.498 5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.569 -4.952 6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.873 -4.848 4.980 1.00 0.00 H new ATOM 189 N GLY A 17 7.262 -4.265 5.113 1.00 0.00 N ATOM 190 CA GLY A 17 8.288 -3.291 5.436 1.00 0.00 C ATOM 191 C GLY A 17 8.289 -2.910 6.904 1.00 0.00 C ATOM 192 O GLY A 17 7.594 -3.527 7.712 1.00 0.00 O ATOM 0 H GLY A 17 6.363 -3.867 4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.264 -3.695 5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.137 -2.396 4.832 1.00 0.00 H new ATOM 196 N ASP A 18 9.070 -1.892 7.248 1.00 0.00 N ATOM 197 CA ASP A 18 9.159 -1.430 8.629 1.00 0.00 C ATOM 198 C ASP A 18 8.313 -0.178 8.841 1.00 0.00 C ATOM 199 O ASP A 18 8.652 0.681 9.655 1.00 0.00 O ATOM 200 CB ASP A 18 10.616 -1.147 9.001 1.00 0.00 C ATOM 201 CG ASP A 18 10.975 -1.676 10.376 1.00 0.00 C ATOM 202 OD1 ASP A 18 10.544 -1.067 11.377 1.00 0.00 O ATOM 203 OD2 ASP A 18 11.689 -2.698 10.451 1.00 0.00 O ATOM 0 H ASP A 18 9.650 -1.371 6.590 1.00 0.00 H new ATOM 0 HA ASP A 18 8.773 -2.219 9.275 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.272 -1.600 8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.794 -0.072 8.971 1.00 0.00 H new ATOM 208 N PHE A 19 7.211 -0.081 8.104 1.00 0.00 N ATOM 209 CA PHE A 19 6.318 1.067 8.213 1.00 0.00 C ATOM 210 C PHE A 19 5.330 0.879 9.359 1.00 0.00 C ATOM 211 O PHE A 19 5.164 -0.227 9.874 1.00 0.00 O ATOM 212 CB PHE A 19 5.560 1.277 6.901 1.00 0.00 C ATOM 213 CG PHE A 19 6.450 1.316 5.691 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.015 2.508 5.269 1.00 0.00 C ATOM 215 CD2 PHE A 19 6.720 0.159 4.977 1.00 0.00 C ATOM 216 CE1 PHE A 19 7.834 2.547 4.157 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.538 0.192 3.863 1.00 0.00 C ATOM 218 CZ PHE A 19 8.096 1.387 3.453 1.00 0.00 C ATOM 0 H PHE A 19 6.915 -0.783 7.426 1.00 0.00 H new ATOM 0 HA PHE A 19 6.924 1.949 8.419 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.831 0.475 6.780 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.000 2.210 6.960 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.813 3.417 5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.287 -0.778 5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.269 3.483 3.838 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.740 -0.716 3.314 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.736 1.415 2.584 1.00 0.00 H new ATOM 228 N VAL A 20 4.675 1.966 9.753 1.00 0.00 N ATOM 229 CA VAL A 20 3.702 1.919 10.840 1.00 0.00 C ATOM 230 C VAL A 20 2.474 2.762 10.512 1.00 0.00 C ATOM 231 O VAL A 20 2.469 3.522 9.543 1.00 0.00 O ATOM 232 CB VAL A 20 4.312 2.415 12.163 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.366 1.440 12.665 1.00 0.00 C ATOM 234 CG2 VAL A 20 4.902 3.807 11.992 1.00 0.00 C ATOM 0 H VAL A 20 4.799 2.889 9.337 1.00 0.00 H new ATOM 0 HA VAL A 20 3.406 0.876 10.955 1.00 0.00 H new ATOM 0 HB VAL A 20 3.518 2.471 12.908 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.786 1.808 13.601 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.909 0.464 12.831 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.159 1.348 11.923 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.328 4.140 12.938 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.683 3.780 11.232 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.118 4.499 11.683 1.00 0.00 H new ATOM 244 N VAL A 21 1.433 2.622 11.326 1.00 0.00 N ATOM 245 CA VAL A 21 0.198 3.370 11.124 1.00 0.00 C ATOM 246 C VAL A 21 0.318 4.788 11.669 1.00 0.00 C ATOM 247 O VAL A 21 0.300 5.001 12.881 1.00 0.00 O ATOM 248 CB VAL A 21 -0.998 2.673 11.800 1.00 0.00 C ATOM 249 CG1 VAL A 21 -2.302 3.355 11.415 1.00 0.00 C ATOM 250 CG2 VAL A 21 -1.031 1.197 11.434 1.00 0.00 C ATOM 0 H VAL A 21 1.420 1.997 12.132 1.00 0.00 H new ATOM 0 HA VAL A 21 0.026 3.410 10.048 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.879 2.754 12.880 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.135 2.848 11.902 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.275 4.397 11.733 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.431 3.309 10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.882 0.720 11.920 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.125 1.092 10.353 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.109 0.719 11.766 1.00 0.00 H new ATOM 260 N GLY A 22 0.443 5.756 10.767 1.00 0.00 N ATOM 261 CA GLY A 22 0.564 7.143 11.177 1.00 0.00 C ATOM 262 C GLY A 22 1.846 7.784 10.682 1.00 0.00 C ATOM 263 O GLY A 22 2.472 8.568 11.396 1.00 0.00 O ATOM 0 H GLY A 22 0.463 5.605 9.759 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.290 7.706 10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.529 7.202 12.265 1.00 0.00 H new ATOM 267 N GLU A 23 2.238 7.450 9.456 1.00 0.00 N ATOM 268 CA GLU A 23 3.454 7.999 8.866 1.00 0.00 C ATOM 269 C GLU A 23 3.287 8.197 7.363 1.00 0.00 C ATOM 270 O GLU A 23 2.573 7.441 6.702 1.00 0.00 O ATOM 271 CB GLU A 23 4.641 7.075 9.142 1.00 0.00 C ATOM 272 CG GLU A 23 4.417 5.642 8.687 1.00 0.00 C ATOM 273 CD GLU A 23 5.660 5.020 8.083 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.116 5.509 7.029 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.177 4.043 8.665 1.00 0.00 O ATOM 0 H GLU A 23 1.732 6.802 8.852 1.00 0.00 H new ATOM 0 HA GLU A 23 3.645 8.970 9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.524 7.472 8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.852 7.079 10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.091 5.042 9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.611 5.620 7.953 1.00 0.00 H new ATOM 282 N ARG A 24 3.949 9.218 6.829 1.00 0.00 N ATOM 283 CA ARG A 24 3.873 9.516 5.404 1.00 0.00 C ATOM 284 C ARG A 24 4.847 8.647 4.614 1.00 0.00 C ATOM 285 O ARG A 24 6.040 8.604 4.914 1.00 0.00 O ATOM 286 CB ARG A 24 4.170 10.996 5.153 1.00 0.00 C ATOM 287 CG ARG A 24 2.923 11.859 5.056 1.00 0.00 C ATOM 288 CD ARG A 24 2.118 11.819 6.346 1.00 0.00 C ATOM 289 NE ARG A 24 2.874 12.341 7.481 1.00 0.00 N ATOM 290 CZ ARG A 24 3.105 13.636 7.685 1.00 0.00 C ATOM 291 NH1 ARG A 24 2.643 14.543 6.834 1.00 0.00 N ATOM 292 NH2 ARG A 24 3.802 14.026 8.744 1.00 0.00 N ATOM 0 H ARG A 24 4.544 9.853 7.362 1.00 0.00 H new ATOM 0 HA ARG A 24 2.861 9.295 5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.801 11.373 5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.741 11.092 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.207 12.888 4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.304 11.514 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.205 12.400 6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.816 10.792 6.553 1.00 0.00 H new ATOM 0 HE ARG A 24 3.247 11.674 8.157 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.107 14.250 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.824 15.534 6.997 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.161 13.334 9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.979 15.018 8.901 1.00 0.00 H new ATOM 306 N VAL A 25 4.329 7.956 3.604 1.00 0.00 N ATOM 307 CA VAL A 25 5.151 7.088 2.770 1.00 0.00 C ATOM 308 C VAL A 25 4.941 7.390 1.291 1.00 0.00 C ATOM 309 O VAL A 25 3.810 7.574 0.839 1.00 0.00 O ATOM 310 CB VAL A 25 4.840 5.602 3.029 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.224 5.215 4.448 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.370 5.311 2.766 1.00 0.00 C ATOM 0 H VAL A 25 3.343 7.981 3.343 1.00 0.00 H new ATOM 0 HA VAL A 25 6.190 7.285 3.035 1.00 0.00 H new ATOM 0 HB VAL A 25 5.434 5.000 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.997 4.162 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.291 5.383 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.660 5.822 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.169 4.256 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.754 5.921 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.132 5.546 1.729 1.00 0.00 H new ATOM 322 N TRP A 26 6.037 7.441 0.540 1.00 0.00 N ATOM 323 CA TRP A 26 5.970 7.722 -0.889 1.00 0.00 C ATOM 324 C TRP A 26 5.568 6.478 -1.673 1.00 0.00 C ATOM 325 O TRP A 26 6.271 5.467 -1.656 1.00 0.00 O ATOM 326 CB TRP A 26 7.318 8.241 -1.392 1.00 0.00 C ATOM 327 CG TRP A 26 7.475 9.724 -1.244 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.520 10.647 -2.249 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.609 10.454 -0.019 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.674 11.908 -1.724 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.731 11.816 -0.357 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.637 10.090 1.329 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.877 12.811 0.605 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.783 11.079 2.284 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.901 12.426 1.918 1.00 0.00 C ATOM 0 H TRP A 26 6.981 7.292 0.897 1.00 0.00 H new ATOM 0 HA TRP A 26 5.211 8.488 -1.046 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.118 7.742 -0.846 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.433 7.973 -2.442 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.446 10.420 -3.302 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.736 12.772 -2.263 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.546 9.054 1.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.968 13.850 0.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.806 10.809 3.329 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.013 13.176 2.687 1.00 0.00 H new ATOM 346 N VAL A 27 4.433 6.559 -2.361 1.00 0.00 N ATOM 347 CA VAL A 27 3.939 5.439 -3.153 1.00 0.00 C ATOM 348 C VAL A 27 4.631 5.382 -4.510 1.00 0.00 C ATOM 349 O VAL A 27 4.423 6.247 -5.362 1.00 0.00 O ATOM 350 CB VAL A 27 2.417 5.532 -3.370 1.00 0.00 C ATOM 351 CG1 VAL A 27 1.891 4.263 -4.024 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.705 5.796 -2.052 1.00 0.00 C ATOM 0 H VAL A 27 3.839 7.388 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 27 4.163 4.531 -2.593 1.00 0.00 H new ATOM 0 HB VAL A 27 2.215 6.368 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.814 4.348 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.377 4.123 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.104 3.408 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.631 5.859 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.914 4.983 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.060 6.736 -1.629 1.00 0.00 H new ATOM 362 N ASN A 28 5.458 4.360 -4.705 1.00 0.00 N ATOM 363 CA ASN A 28 6.183 4.192 -5.959 1.00 0.00 C ATOM 364 C ASN A 28 7.075 5.399 -6.237 1.00 0.00 C ATOM 365 O ASN A 28 7.334 5.737 -7.392 1.00 0.00 O ATOM 366 CB ASN A 28 5.203 3.990 -7.116 1.00 0.00 C ATOM 367 CG ASN A 28 4.409 2.705 -6.983 1.00 0.00 C ATOM 368 OD1 ASN A 28 4.169 2.222 -5.876 1.00 0.00 O ATOM 369 ND2 ASN A 28 3.995 2.145 -8.113 1.00 0.00 N ATOM 0 H ASN A 28 5.643 3.636 -4.011 1.00 0.00 H new ATOM 0 HA ASN A 28 6.815 3.308 -5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.516 4.835 -7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.753 3.978 -8.057 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.455 1.280 -8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.217 2.580 -9.009 1.00 0.00 H new ATOM 376 N GLY A 29 7.538 6.044 -5.172 1.00 0.00 N ATOM 377 CA GLY A 29 8.396 7.206 -5.322 1.00 0.00 C ATOM 378 C GLY A 29 7.753 8.298 -6.155 1.00 0.00 C ATOM 379 O GLY A 29 8.412 8.922 -6.987 1.00 0.00 O ATOM 0 H GLY A 29 7.335 5.783 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.642 7.602 -4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.334 6.903 -5.787 1.00 0.00 H new ATOM 383 N VAL A 30 6.463 8.529 -5.932 1.00 0.00 N ATOM 384 CA VAL A 30 5.732 9.552 -6.668 1.00 0.00 C ATOM 385 C VAL A 30 5.124 10.582 -5.722 1.00 0.00 C ATOM 386 O VAL A 30 5.439 11.770 -5.796 1.00 0.00 O ATOM 387 CB VAL A 30 4.611 8.934 -7.525 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.990 9.985 -8.433 1.00 0.00 C ATOM 389 CG2 VAL A 30 5.145 7.765 -8.337 1.00 0.00 C ATOM 0 H VAL A 30 5.903 8.021 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 30 6.451 10.044 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 30 3.834 8.560 -6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.200 9.529 -9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.569 10.787 -7.827 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.755 10.393 -9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.340 7.340 -8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.942 8.112 -8.994 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.537 7.003 -7.663 1.00 0.00 H new ATOM 399 N LYS A 31 4.251 10.120 -4.833 1.00 0.00 N ATOM 400 CA LYS A 31 3.599 11.002 -3.872 1.00 0.00 C ATOM 401 C LYS A 31 3.505 10.339 -2.500 1.00 0.00 C ATOM 402 O LYS A 31 3.346 9.122 -2.399 1.00 0.00 O ATOM 403 CB LYS A 31 2.203 11.384 -4.365 1.00 0.00 C ATOM 404 CG LYS A 31 2.213 12.209 -5.642 1.00 0.00 C ATOM 405 CD LYS A 31 1.027 11.874 -6.532 1.00 0.00 C ATOM 406 CE LYS A 31 0.903 12.855 -7.687 1.00 0.00 C ATOM 407 NZ LYS A 31 1.438 12.290 -8.956 1.00 0.00 N ATOM 0 H LYS A 31 3.979 9.140 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 31 4.202 11.905 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.625 10.475 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.692 11.946 -3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.193 13.270 -5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.140 12.028 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.138 10.862 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.111 11.889 -5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.144 13.125 -7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.439 13.772 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.099 12.858 -9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.478 12.308 -8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.111 11.309 -9.064 1.00 0.00 H new ATOM 421 N PRO A 32 3.600 11.134 -1.419 1.00 0.00 N ATOM 422 CA PRO A 32 3.526 10.618 -0.050 1.00 0.00 C ATOM 423 C PRO A 32 2.104 10.241 0.351 1.00 0.00 C ATOM 424 O PRO A 32 1.133 10.746 -0.214 1.00 0.00 O ATOM 425 CB PRO A 32 4.027 11.790 0.793 1.00 0.00 C ATOM 426 CG PRO A 32 3.675 13.000 -0.002 1.00 0.00 C ATOM 427 CD PRO A 32 3.790 12.598 -1.448 1.00 0.00 C ATOM 0 HA PRO A 32 4.107 9.704 0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.550 11.806 1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.102 11.726 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.665 13.338 0.229 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.348 13.826 0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.034 13.088 -2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.761 12.868 -1.863 1.00 0.00 H new ATOM 435 N GLY A 33 1.987 9.351 1.331 1.00 0.00 N ATOM 436 CA GLY A 33 0.680 8.921 1.793 1.00 0.00 C ATOM 437 C GLY A 33 0.702 8.448 3.233 1.00 0.00 C ATOM 438 O GLY A 33 1.714 7.935 3.710 1.00 0.00 O ATOM 0 H GLY A 33 2.775 8.919 1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.026 9.746 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.319 8.115 1.154 1.00 0.00 H new ATOM 442 N VAL A 34 -0.417 8.621 3.927 1.00 0.00 N ATOM 443 CA VAL A 34 -0.523 8.207 5.322 1.00 0.00 C ATOM 444 C VAL A 34 -0.983 6.758 5.430 1.00 0.00 C ATOM 445 O VAL A 34 -2.091 6.415 5.016 1.00 0.00 O ATOM 446 CB VAL A 34 -1.500 9.107 6.103 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.481 8.761 7.584 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.166 10.575 5.888 1.00 0.00 C ATOM 0 H VAL A 34 -1.263 9.045 3.547 1.00 0.00 H new ATOM 0 HA VAL A 34 0.471 8.303 5.758 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.507 8.928 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.177 9.408 8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.776 7.720 7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.475 8.907 7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.867 11.194 6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.152 10.772 6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.239 10.813 4.827 1.00 0.00 H new ATOM 458 N VAL A 35 -0.126 5.911 5.990 1.00 0.00 N ATOM 459 CA VAL A 35 -0.444 4.498 6.153 1.00 0.00 C ATOM 460 C VAL A 35 -1.539 4.295 7.196 1.00 0.00 C ATOM 461 O VAL A 35 -1.575 4.985 8.214 1.00 0.00 O ATOM 462 CB VAL A 35 0.798 3.687 6.567 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.499 2.196 6.539 1.00 0.00 C ATOM 464 CG2 VAL A 35 1.977 4.019 5.664 1.00 0.00 C ATOM 0 H VAL A 35 0.794 6.179 6.339 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.797 4.141 5.185 1.00 0.00 H new ATOM 0 HB VAL A 35 1.063 3.960 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.389 1.641 6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.313 1.975 7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.206 1.902 5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.846 3.437 5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.724 3.777 4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.207 5.082 5.741 1.00 0.00 H new ATOM 474 N GLN A 36 -2.430 3.344 6.933 1.00 0.00 N ATOM 475 CA GLN A 36 -3.526 3.051 7.848 1.00 0.00 C ATOM 476 C GLN A 36 -3.596 1.557 8.151 1.00 0.00 C ATOM 477 O GLN A 36 -3.491 1.142 9.306 1.00 0.00 O ATOM 478 CB GLN A 36 -4.854 3.525 7.256 1.00 0.00 C ATOM 479 CG GLN A 36 -5.240 4.933 7.679 1.00 0.00 C ATOM 480 CD GLN A 36 -5.437 5.057 9.177 1.00 0.00 C ATOM 481 OE1 GLN A 36 -6.526 4.812 9.694 1.00 0.00 O ATOM 482 NE2 GLN A 36 -4.380 5.440 9.883 1.00 0.00 N ATOM 0 H GLN A 36 -2.414 2.764 6.094 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.341 3.585 8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.792 3.485 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.643 2.835 7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.465 5.630 7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.159 5.222 7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.496 5.633 9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.452 5.541 10.895 1.00 0.00 H new ATOM 491 N TYR A 37 -3.774 0.754 7.107 1.00 0.00 N ATOM 492 CA TYR A 37 -3.859 -0.694 7.262 1.00 0.00 C ATOM 493 C TYR A 37 -2.510 -1.351 6.988 1.00 0.00 C ATOM 494 O TYR A 37 -1.681 -0.809 6.257 1.00 0.00 O ATOM 495 CB TYR A 37 -4.919 -1.267 6.318 1.00 0.00 C ATOM 496 CG TYR A 37 -5.479 -2.595 6.772 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.231 -2.694 7.935 1.00 0.00 C ATOM 498 CD2 TYR A 37 -5.255 -3.752 6.036 1.00 0.00 C ATOM 499 CE1 TYR A 37 -6.745 -3.907 8.353 1.00 0.00 C ATOM 500 CE2 TYR A 37 -5.767 -4.969 6.445 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.510 -5.041 7.605 1.00 0.00 C ATOM 502 OH TYR A 37 -7.020 -6.251 8.017 1.00 0.00 O ATOM 0 H TYR A 37 -3.862 1.081 6.145 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.144 -0.908 8.292 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.735 -0.551 6.224 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.484 -1.386 5.326 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.418 -1.808 8.523 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.671 -3.700 5.129 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.327 -3.966 9.261 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.586 -5.858 5.860 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.764 -6.948 7.378 1.00 0.00 H new ATOM 512 N LEU A 38 -2.298 -2.522 7.580 1.00 0.00 N ATOM 513 CA LEU A 38 -1.050 -3.256 7.400 1.00 0.00 C ATOM 514 C LEU A 38 -1.295 -4.761 7.425 1.00 0.00 C ATOM 515 O LEU A 38 -1.876 -5.289 8.373 1.00 0.00 O ATOM 516 CB LEU A 38 -0.048 -2.873 8.491 1.00 0.00 C ATOM 517 CG LEU A 38 0.678 -1.545 8.268 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.443 -1.138 9.517 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.616 -1.645 7.075 1.00 0.00 C ATOM 0 H LEU A 38 -2.974 -2.983 8.189 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.638 -2.990 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.573 -2.826 9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.695 -3.666 8.575 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.066 -0.777 8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.953 -0.191 9.339 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.748 -1.025 10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.178 -1.906 9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.124 -0.692 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.354 -2.426 7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.043 -1.889 6.181 1.00 0.00 H new ATOM 531 N GLY A 39 -0.848 -5.445 6.378 1.00 0.00 N ATOM 532 CA GLY A 39 -1.029 -6.883 6.300 1.00 0.00 C ATOM 533 C GLY A 39 -1.588 -7.328 4.963 1.00 0.00 C ATOM 534 O GLY A 39 -1.463 -6.619 3.964 1.00 0.00 O ATOM 0 H GLY A 39 -0.364 -5.030 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.072 -7.376 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.701 -7.205 7.096 1.00 0.00 H new ATOM 538 N GLU A 40 -2.206 -8.503 4.945 1.00 0.00 N ATOM 539 CA GLU A 40 -2.787 -9.044 3.721 1.00 0.00 C ATOM 540 C GLU A 40 -4.240 -8.604 3.568 1.00 0.00 C ATOM 541 O GLU A 40 -5.028 -8.695 4.509 1.00 0.00 O ATOM 542 CB GLU A 40 -2.702 -10.571 3.722 1.00 0.00 C ATOM 543 CG GLU A 40 -1.284 -11.101 3.843 1.00 0.00 C ATOM 544 CD GLU A 40 -1.203 -12.366 4.675 1.00 0.00 C ATOM 545 OE1 GLU A 40 -1.753 -12.376 5.797 1.00 0.00 O ATOM 546 OE2 GLU A 40 -0.589 -13.348 4.206 1.00 0.00 O ATOM 0 H GLU A 40 -2.318 -9.100 5.764 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.218 -8.656 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.298 -10.959 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.146 -10.952 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.888 -11.300 2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.651 -10.335 4.291 1.00 0.00 H new ATOM 553 N THR A 41 -4.587 -8.127 2.377 1.00 0.00 N ATOM 554 CA THR A 41 -5.945 -7.674 2.101 1.00 0.00 C ATOM 555 C THR A 41 -6.866 -8.855 1.813 1.00 0.00 C ATOM 556 O THR A 41 -6.452 -10.011 1.897 1.00 0.00 O ATOM 557 CB THR A 41 -5.952 -6.706 0.917 1.00 0.00 C ATOM 558 OG1 THR A 41 -5.464 -7.341 -0.253 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.114 -5.467 1.151 1.00 0.00 C ATOM 0 H THR A 41 -3.946 -8.044 1.588 1.00 0.00 H new ATOM 0 HA THR A 41 -6.315 -7.157 2.986 1.00 0.00 H new ATOM 0 HB THR A 41 -6.992 -6.403 0.798 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.581 -6.745 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.163 -4.823 0.273 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.496 -4.928 2.018 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.079 -5.757 1.331 1.00 0.00 H new ATOM 567 N GLN A 42 -8.115 -8.556 1.472 1.00 0.00 N ATOM 568 CA GLN A 42 -9.094 -9.593 1.172 1.00 0.00 C ATOM 569 C GLN A 42 -9.329 -9.703 -0.331 1.00 0.00 C ATOM 570 O GLN A 42 -9.613 -10.783 -0.848 1.00 0.00 O ATOM 571 CB GLN A 42 -10.414 -9.299 1.886 1.00 0.00 C ATOM 572 CG GLN A 42 -10.444 -9.774 3.329 1.00 0.00 C ATOM 573 CD GLN A 42 -11.685 -10.583 3.653 1.00 0.00 C ATOM 574 OE1 GLN A 42 -12.595 -10.103 4.329 1.00 0.00 O ATOM 575 NE2 GLN A 42 -11.728 -11.819 3.169 1.00 0.00 N ATOM 0 H GLN A 42 -8.473 -7.604 1.397 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.699 -10.544 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.599 -8.225 1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.227 -9.775 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.559 -10.379 3.527 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.395 -8.911 3.993 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.951 -12.176 2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.538 -12.411 3.353 1.00 0.00 H new ATOM 584 N PHE A 43 -9.209 -8.576 -1.028 1.00 0.00 N ATOM 585 CA PHE A 43 -9.410 -8.548 -2.472 1.00 0.00 C ATOM 586 C PHE A 43 -8.331 -9.354 -3.188 1.00 0.00 C ATOM 587 O PHE A 43 -8.575 -9.935 -4.245 1.00 0.00 O ATOM 588 CB PHE A 43 -9.412 -7.104 -2.980 1.00 0.00 C ATOM 589 CG PHE A 43 -8.092 -6.404 -2.816 1.00 0.00 C ATOM 590 CD1 PHE A 43 -7.028 -6.702 -3.651 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.919 -5.447 -1.829 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.813 -6.058 -3.504 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.706 -4.801 -1.677 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.653 -5.107 -2.515 1.00 0.00 C ATOM 0 H PHE A 43 -8.974 -7.673 -0.616 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.377 -9.002 -2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.687 -7.100 -4.035 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.180 -6.542 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.148 -7.445 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.740 -5.203 -1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.991 -6.298 -4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.583 -4.058 -0.903 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.705 -4.603 -2.398 1.00 0.00 H new ATOM 604 N ALA A 44 -7.136 -9.384 -2.605 1.00 0.00 N ATOM 605 CA ALA A 44 -6.020 -10.118 -3.187 1.00 0.00 C ATOM 606 C ALA A 44 -5.104 -10.676 -2.101 1.00 0.00 C ATOM 607 O ALA A 44 -4.940 -10.067 -1.044 1.00 0.00 O ATOM 608 CB ALA A 44 -5.235 -9.223 -4.134 1.00 0.00 C ATOM 0 H ALA A 44 -6.917 -8.908 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.425 -10.958 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.404 -9.785 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.889 -8.878 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.848 -8.364 -3.586 1.00 0.00 H new ATOM 614 N PRO A 45 -4.492 -11.847 -2.347 1.00 0.00 N ATOM 615 CA PRO A 45 -3.589 -12.484 -1.383 1.00 0.00 C ATOM 616 C PRO A 45 -2.249 -11.764 -1.281 1.00 0.00 C ATOM 617 O PRO A 45 -2.048 -10.716 -1.894 1.00 0.00 O ATOM 618 CB PRO A 45 -3.399 -13.889 -1.955 1.00 0.00 C ATOM 619 CG PRO A 45 -3.603 -13.729 -3.422 1.00 0.00 C ATOM 620 CD PRO A 45 -4.631 -12.642 -3.583 1.00 0.00 C ATOM 0 HA PRO A 45 -3.995 -12.471 -0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.404 -14.276 -1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.116 -14.591 -1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.670 -13.460 -3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.947 -14.660 -3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.441 -12.039 -4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.636 -13.052 -3.685 1.00 0.00 H new ATOM 628 N GLY A 46 -1.336 -12.334 -0.502 1.00 0.00 N ATOM 629 CA GLY A 46 -0.026 -11.732 -0.333 1.00 0.00 C ATOM 630 C GLY A 46 -0.050 -10.542 0.607 1.00 0.00 C ATOM 631 O GLY A 46 -1.119 -10.056 0.976 1.00 0.00 O ATOM 0 H GLY A 46 -1.479 -13.201 0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.667 -12.480 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.353 -11.416 -1.305 1.00 0.00 H new ATOM 635 N GLN A 47 1.131 -10.073 0.994 1.00 0.00 N ATOM 636 CA GLN A 47 1.243 -8.933 1.897 1.00 0.00 C ATOM 637 C GLN A 47 0.878 -7.636 1.182 1.00 0.00 C ATOM 638 O GLN A 47 1.232 -7.435 0.020 1.00 0.00 O ATOM 639 CB GLN A 47 2.663 -8.837 2.458 1.00 0.00 C ATOM 640 CG GLN A 47 3.099 -10.075 3.226 1.00 0.00 C ATOM 641 CD GLN A 47 2.245 -10.331 4.452 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.373 -9.532 4.793 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.493 -11.450 5.123 1.00 0.00 N ATOM 0 H GLN A 47 2.025 -10.465 0.697 1.00 0.00 H new ATOM 0 HA GLN A 47 0.544 -9.083 2.720 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.358 -8.666 1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.727 -7.970 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.052 -10.942 2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.140 -9.962 3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.226 -12.084 4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.951 -11.675 5.957 1.00 0.00 H new ATOM 652 N TRP A 48 0.169 -6.760 1.884 1.00 0.00 N ATOM 653 CA TRP A 48 -0.245 -5.481 1.317 1.00 0.00 C ATOM 654 C TRP A 48 0.003 -4.344 2.302 1.00 0.00 C ATOM 655 O TRP A 48 0.326 -4.576 3.466 1.00 0.00 O ATOM 656 CB TRP A 48 -1.726 -5.526 0.934 1.00 0.00 C ATOM 657 CG TRP A 48 -1.969 -6.123 -0.417 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.091 -7.448 -0.714 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.120 -5.418 -1.655 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.308 -7.613 -2.059 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.331 -6.381 -2.659 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.099 -4.066 -2.010 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.518 -6.035 -3.996 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.286 -3.724 -3.337 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.493 -4.705 -4.315 1.00 0.00 C ATOM 0 H TRP A 48 -0.132 -6.911 2.847 1.00 0.00 H new ATOM 0 HA TRP A 48 0.350 -5.298 0.422 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.270 -6.103 1.682 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.131 -4.514 0.955 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.026 -8.251 0.005 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.432 -8.507 -2.535 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.940 -3.303 -1.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.677 -6.789 -4.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.272 -2.683 -3.624 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.636 -4.405 -5.343 1.00 0.00 H new ATOM 676 N ALA A 49 -0.151 -3.112 1.826 1.00 0.00 N ATOM 677 CA ALA A 49 0.057 -1.937 2.665 1.00 0.00 C ATOM 678 C ALA A 49 -0.875 -0.801 2.259 1.00 0.00 C ATOM 679 O ALA A 49 -0.650 -0.131 1.250 1.00 0.00 O ATOM 680 CB ALA A 49 1.507 -1.485 2.590 1.00 0.00 C ATOM 0 H ALA A 49 -0.419 -2.902 0.865 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.174 -2.211 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.648 -0.607 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.157 -2.289 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.757 -1.235 1.559 1.00 0.00 H new ATOM 686 N GLY A 50 -1.920 -0.589 3.050 1.00 0.00 N ATOM 687 CA GLY A 50 -2.871 0.469 2.756 1.00 0.00 C ATOM 688 C GLY A 50 -2.333 1.844 3.098 1.00 0.00 C ATOM 689 O GLY A 50 -1.873 2.077 4.216 1.00 0.00 O ATOM 0 H GLY A 50 -2.127 -1.130 3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.130 0.437 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.790 0.293 3.315 1.00 0.00 H new ATOM 693 N VAL A 51 -2.393 2.756 2.134 1.00 0.00 N ATOM 694 CA VAL A 51 -1.909 4.117 2.338 1.00 0.00 C ATOM 695 C VAL A 51 -2.966 5.142 1.942 1.00 0.00 C ATOM 696 O VAL A 51 -3.816 4.876 1.094 1.00 0.00 O ATOM 697 CB VAL A 51 -0.624 4.383 1.531 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.025 5.730 1.908 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.382 3.263 1.743 1.00 0.00 C ATOM 0 H VAL A 51 -2.772 2.578 1.204 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.689 4.218 3.401 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.881 4.411 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.882 5.900 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.745 6.520 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.218 5.736 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.283 3.469 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.637 3.198 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.051 2.318 1.415 1.00 0.00 H new ATOM 709 N VAL A 52 -2.906 6.316 2.563 1.00 0.00 N ATOM 710 CA VAL A 52 -3.857 7.383 2.275 1.00 0.00 C ATOM 711 C VAL A 52 -3.168 8.569 1.609 1.00 0.00 C ATOM 712 O VAL A 52 -2.341 9.243 2.222 1.00 0.00 O ATOM 713 CB VAL A 52 -4.565 7.866 3.557 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.656 8.871 3.221 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.136 6.688 4.331 1.00 0.00 C ATOM 0 H VAL A 52 -2.209 6.552 3.269 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.600 6.969 1.593 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.828 8.362 4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.143 9.199 4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.216 9.731 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.392 8.404 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.631 7.050 5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.857 6.159 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.329 6.009 4.608 1.00 0.00 H new ATOM 725 N LEU A 53 -3.516 8.819 0.351 1.00 0.00 N ATOM 726 CA LEU A 53 -2.930 9.925 -0.398 1.00 0.00 C ATOM 727 C LEU A 53 -3.457 11.264 0.109 1.00 0.00 C ATOM 728 O LEU A 53 -4.534 11.335 0.701 1.00 0.00 O ATOM 729 CB LEU A 53 -3.235 9.777 -1.890 1.00 0.00 C ATOM 730 CG LEU A 53 -2.574 8.578 -2.570 1.00 0.00 C ATOM 731 CD1 LEU A 53 -3.221 8.305 -3.919 1.00 0.00 C ATOM 732 CD2 LEU A 53 -1.080 8.815 -2.731 1.00 0.00 C ATOM 0 H LEU A 53 -4.200 8.271 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.850 9.899 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.315 9.699 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.918 10.686 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.717 7.701 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.737 7.448 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.280 8.091 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.110 9.180 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.625 7.952 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.916 9.703 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.627 8.960 -1.750 1.00 0.00 H new ATOM 744 N ASP A 54 -2.689 12.323 -0.125 1.00 0.00 N ATOM 745 CA ASP A 54 -3.078 13.659 0.307 1.00 0.00 C ATOM 746 C ASP A 54 -4.312 14.139 -0.450 1.00 0.00 C ATOM 747 O ASP A 54 -5.295 14.569 0.154 1.00 0.00 O ATOM 748 CB ASP A 54 -1.923 14.642 0.099 1.00 0.00 C ATOM 749 CG ASP A 54 -1.778 15.616 1.251 1.00 0.00 C ATOM 750 OD1 ASP A 54 -1.783 15.164 2.416 1.00 0.00 O ATOM 751 OD2 ASP A 54 -1.660 16.832 0.990 1.00 0.00 O ATOM 0 H ASP A 54 -1.794 12.281 -0.612 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.321 13.613 1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.993 14.086 -0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.084 15.198 -0.825 1.00 0.00 H new ATOM 756 N ASP A 55 -4.254 14.060 -1.775 1.00 0.00 N ATOM 757 CA ASP A 55 -5.369 14.484 -2.615 1.00 0.00 C ATOM 758 C ASP A 55 -6.140 13.279 -3.146 1.00 0.00 C ATOM 759 O ASP A 55 -5.659 12.148 -3.087 1.00 0.00 O ATOM 760 CB ASP A 55 -4.859 15.334 -3.781 1.00 0.00 C ATOM 761 CG ASP A 55 -4.960 16.821 -3.500 1.00 0.00 C ATOM 762 OD1 ASP A 55 -6.055 17.279 -3.113 1.00 0.00 O ATOM 763 OD2 ASP A 55 -3.943 17.527 -3.666 1.00 0.00 O ATOM 0 H ASP A 55 -3.448 13.707 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.045 15.083 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.820 15.076 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.431 15.097 -4.678 1.00 0.00 H new ATOM 768 N PRO A 56 -7.356 13.507 -3.676 1.00 0.00 N ATOM 769 CA PRO A 56 -8.193 12.432 -4.218 1.00 0.00 C ATOM 770 C PRO A 56 -7.623 11.849 -5.506 1.00 0.00 C ATOM 771 O PRO A 56 -8.229 11.962 -6.574 1.00 0.00 O ATOM 772 CB PRO A 56 -9.532 13.125 -4.486 1.00 0.00 C ATOM 773 CG PRO A 56 -9.183 14.559 -4.684 1.00 0.00 C ATOM 774 CD PRO A 56 -8.006 14.827 -3.786 1.00 0.00 C ATOM 0 HA PRO A 56 -8.267 11.587 -3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.022 12.712 -5.367 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.219 12.997 -3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.933 14.759 -5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.024 15.204 -4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.335 15.572 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.320 15.203 -2.812 1.00 0.00 H new ATOM 782 N VAL A 57 -6.455 11.224 -5.402 1.00 0.00 N ATOM 783 CA VAL A 57 -5.803 10.622 -6.558 1.00 0.00 C ATOM 784 C VAL A 57 -5.444 9.165 -6.289 1.00 0.00 C ATOM 785 O VAL A 57 -4.443 8.658 -6.797 1.00 0.00 O ATOM 786 CB VAL A 57 -4.526 11.391 -6.946 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.878 12.718 -7.599 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.642 11.606 -5.727 1.00 0.00 C ATOM 0 H VAL A 57 -5.940 11.121 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.513 10.672 -7.384 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.970 10.794 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.963 13.246 -7.866 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.467 12.536 -8.498 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.457 13.324 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.744 12.151 -6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.188 12.181 -4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.360 10.640 -5.307 1.00 0.00 H new ATOM 798 N GLY A 58 -6.266 8.497 -5.489 1.00 0.00 N ATOM 799 CA GLY A 58 -6.019 7.103 -5.166 1.00 0.00 C ATOM 800 C GLY A 58 -6.872 6.157 -5.988 1.00 0.00 C ATOM 801 O GLY A 58 -6.942 6.277 -7.211 1.00 0.00 O ATOM 0 H GLY A 58 -7.100 8.895 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.966 6.876 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.217 6.938 -4.107 1.00 0.00 H new ATOM 805 N LYS A 59 -7.522 5.213 -5.316 1.00 0.00 N ATOM 806 CA LYS A 59 -8.375 4.242 -5.992 1.00 0.00 C ATOM 807 C LYS A 59 -9.562 3.857 -5.115 1.00 0.00 C ATOM 808 O LYS A 59 -10.716 4.012 -5.512 1.00 0.00 O ATOM 809 CB LYS A 59 -7.569 2.993 -6.357 1.00 0.00 C ATOM 810 CG LYS A 59 -6.371 3.283 -7.247 1.00 0.00 C ATOM 811 CD LYS A 59 -6.060 2.110 -8.164 1.00 0.00 C ATOM 812 CE LYS A 59 -6.560 2.357 -9.579 1.00 0.00 C ATOM 813 NZ LYS A 59 -5.457 2.287 -10.577 1.00 0.00 N ATOM 0 H LYS A 59 -7.475 5.099 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.755 4.701 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.224 2.513 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.223 2.283 -6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.568 4.172 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.501 3.503 -6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.984 1.938 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.521 1.205 -7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.323 1.620 -9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.035 3.337 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.838 2.461 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.741 3.008 -10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.020 1.344 -10.546 1.00 0.00 H new ATOM 827 N ASN A 60 -9.270 3.352 -3.920 1.00 0.00 N ATOM 828 CA ASN A 60 -10.313 2.944 -2.987 1.00 0.00 C ATOM 829 C ASN A 60 -10.629 4.063 -2.001 1.00 0.00 C ATOM 830 O ASN A 60 -10.030 5.137 -2.052 1.00 0.00 O ATOM 831 CB ASN A 60 -9.885 1.686 -2.229 1.00 0.00 C ATOM 832 CG ASN A 60 -9.674 0.500 -3.149 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.592 0.067 -3.844 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.457 -0.032 -3.159 1.00 0.00 N ATOM 0 H ASN A 60 -8.320 3.216 -3.576 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.213 2.725 -3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.962 1.889 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.644 1.436 -1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.255 -0.831 -3.759 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.725 0.359 -2.566 1.00 0.00 H new ATOM 841 N ASP A 61 -11.574 3.804 -1.102 1.00 0.00 N ATOM 842 CA ASP A 61 -11.969 4.791 -0.104 1.00 0.00 C ATOM 843 C ASP A 61 -12.071 4.156 1.280 1.00 0.00 C ATOM 844 O ASP A 61 -12.883 4.573 2.106 1.00 0.00 O ATOM 845 CB ASP A 61 -13.307 5.426 -0.486 1.00 0.00 C ATOM 846 CG ASP A 61 -14.426 4.407 -0.574 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.630 3.663 0.407 1.00 0.00 O ATOM 848 OD2 ASP A 61 -15.099 4.355 -1.625 1.00 0.00 O ATOM 0 H ASP A 61 -12.080 2.920 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.203 5.565 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.569 6.186 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.205 5.933 -1.445 1.00 0.00 H new ATOM 853 N GLY A 62 -11.243 3.146 1.526 1.00 0.00 N ATOM 854 CA GLY A 62 -11.258 2.473 2.812 1.00 0.00 C ATOM 855 C GLY A 62 -11.784 1.053 2.720 1.00 0.00 C ATOM 856 O GLY A 62 -11.483 0.217 3.572 1.00 0.00 O ATOM 0 H GLY A 62 -10.563 2.782 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.248 2.457 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.875 3.041 3.508 1.00 0.00 H new ATOM 860 N ALA A 63 -12.573 0.780 1.686 1.00 0.00 N ATOM 861 CA ALA A 63 -13.141 -0.548 1.490 1.00 0.00 C ATOM 862 C ALA A 63 -13.010 -0.992 0.036 1.00 0.00 C ATOM 863 O ALA A 63 -12.989 -0.167 -0.876 1.00 0.00 O ATOM 864 CB ALA A 63 -14.600 -0.566 1.919 1.00 0.00 C ATOM 0 H ALA A 63 -12.833 1.460 0.972 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.583 -1.250 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.012 -1.564 1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.672 -0.300 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.163 0.153 1.324 1.00 0.00 H new ATOM 870 N VAL A 64 -12.922 -2.302 -0.170 1.00 0.00 N ATOM 871 CA VAL A 64 -12.794 -2.857 -1.511 1.00 0.00 C ATOM 872 C VAL A 64 -13.600 -4.144 -1.652 1.00 0.00 C ATOM 873 O VAL A 64 -13.207 -5.193 -1.141 1.00 0.00 O ATOM 874 CB VAL A 64 -11.322 -3.147 -1.862 1.00 0.00 C ATOM 875 CG1 VAL A 64 -11.188 -3.541 -3.325 1.00 0.00 C ATOM 876 CG2 VAL A 64 -10.451 -1.940 -1.546 1.00 0.00 C ATOM 0 H VAL A 64 -12.937 -2.998 0.575 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.184 -2.108 -2.201 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.981 -3.984 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.141 -3.742 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.779 -4.436 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.547 -2.727 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.415 -2.163 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.791 -1.083 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.522 -1.708 -0.483 1.00 0.00 H new ATOM 886 N GLY A 65 -14.728 -4.056 -2.348 1.00 0.00 N ATOM 887 CA GLY A 65 -15.571 -5.220 -2.543 1.00 0.00 C ATOM 888 C GLY A 65 -16.474 -5.500 -1.355 1.00 0.00 C ATOM 889 O GLY A 65 -17.156 -6.524 -1.317 1.00 0.00 O ATOM 0 H GLY A 65 -15.073 -3.199 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.184 -5.074 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.942 -6.091 -2.729 1.00 0.00 H new ATOM 893 N GLY A 66 -16.480 -4.592 -0.382 1.00 0.00 N ATOM 894 CA GLY A 66 -17.313 -4.771 0.794 1.00 0.00 C ATOM 895 C GLY A 66 -16.505 -4.829 2.076 1.00 0.00 C ATOM 896 O GLY A 66 -17.001 -4.473 3.145 1.00 0.00 O ATOM 0 H GLY A 66 -15.924 -3.737 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.029 -3.951 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.890 -5.690 0.690 1.00 0.00 H new ATOM 900 N VAL A 67 -15.259 -5.278 1.970 1.00 0.00 N ATOM 901 CA VAL A 67 -14.383 -5.381 3.132 1.00 0.00 C ATOM 902 C VAL A 67 -13.712 -4.045 3.435 1.00 0.00 C ATOM 903 O VAL A 67 -13.046 -3.466 2.577 1.00 0.00 O ATOM 904 CB VAL A 67 -13.296 -6.454 2.925 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.492 -6.654 4.201 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.917 -7.765 2.467 1.00 0.00 C ATOM 0 H VAL A 67 -14.833 -5.576 1.092 1.00 0.00 H new ATOM 0 HA VAL A 67 -15.010 -5.669 3.975 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.617 -6.109 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.730 -7.415 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.013 -5.715 4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.157 -6.975 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.133 -8.509 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.621 -8.117 3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.442 -7.609 1.525 1.00 0.00 H new ATOM 916 N ARG A 68 -13.892 -3.562 4.660 1.00 0.00 N ATOM 917 CA ARG A 68 -13.302 -2.294 5.076 1.00 0.00 C ATOM 918 C ARG A 68 -11.938 -2.516 5.721 1.00 0.00 C ATOM 919 O ARG A 68 -11.678 -3.569 6.302 1.00 0.00 O ATOM 920 CB ARG A 68 -14.232 -1.573 6.054 1.00 0.00 C ATOM 921 CG ARG A 68 -14.287 -0.069 5.844 1.00 0.00 C ATOM 922 CD ARG A 68 -14.685 0.658 7.119 1.00 0.00 C ATOM 923 NE ARG A 68 -15.967 0.188 7.638 1.00 0.00 N ATOM 924 CZ ARG A 68 -16.456 0.531 8.827 1.00 0.00 C ATOM 925 NH1 ARG A 68 -15.775 1.347 9.622 1.00 0.00 N ATOM 926 NH2 ARG A 68 -17.631 0.059 9.222 1.00 0.00 N ATOM 0 H ARG A 68 -14.441 -4.029 5.382 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.168 -1.674 4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.237 -1.982 5.955 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.903 -1.777 7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.313 0.288 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.001 0.163 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.913 0.514 7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.743 1.729 6.923 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.520 -0.440 7.055 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.872 1.715 9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.155 1.607 10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.160 -0.567 8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.006 0.322 10.133 1.00 0.00 H new ATOM 940 N TYR A 69 -11.068 -1.515 5.613 1.00 0.00 N ATOM 941 CA TYR A 69 -9.729 -1.603 6.186 1.00 0.00 C ATOM 942 C TYR A 69 -9.437 -0.398 7.075 1.00 0.00 C ATOM 943 O TYR A 69 -8.964 -0.545 8.201 1.00 0.00 O ATOM 944 CB TYR A 69 -8.682 -1.696 5.075 1.00 0.00 C ATOM 945 CG TYR A 69 -8.956 -2.796 4.074 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.976 -2.672 3.139 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.194 -3.957 4.063 1.00 0.00 C ATOM 948 CE1 TYR A 69 -10.230 -3.674 2.223 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.442 -4.964 3.149 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.460 -4.817 2.232 1.00 0.00 C ATOM 951 OH TYR A 69 -9.709 -5.818 1.322 1.00 0.00 O ATOM 0 H TYR A 69 -11.266 -0.636 5.135 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.681 -2.504 6.798 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.636 -0.742 4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.702 -1.860 5.524 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.580 -1.777 3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.395 -4.075 4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.028 -3.562 1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.841 -5.861 3.154 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.073 -5.429 0.499 1.00 0.00 H new ATOM 961 N PHE A 70 -9.723 0.794 6.561 1.00 0.00 N ATOM 962 CA PHE A 70 -9.491 2.024 7.308 1.00 0.00 C ATOM 963 C PHE A 70 -10.505 3.095 6.920 1.00 0.00 C ATOM 964 O PHE A 70 -11.213 2.962 5.922 1.00 0.00 O ATOM 965 CB PHE A 70 -8.072 2.536 7.060 1.00 0.00 C ATOM 966 CG PHE A 70 -7.752 2.736 5.605 1.00 0.00 C ATOM 967 CD1 PHE A 70 -8.061 3.930 4.972 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.144 1.730 4.872 1.00 0.00 C ATOM 969 CE1 PHE A 70 -7.768 4.116 3.634 1.00 0.00 C ATOM 970 CE2 PHE A 70 -6.849 1.911 3.533 1.00 0.00 C ATOM 971 CZ PHE A 70 -7.161 3.105 2.914 1.00 0.00 C ATOM 0 H PHE A 70 -10.116 0.934 5.630 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.610 1.803 8.369 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.938 3.481 7.586 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.360 1.830 7.487 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.536 4.723 5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.898 0.794 5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.013 5.051 3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.375 1.119 2.972 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.931 3.249 1.869 1.00 0.00 H new ATOM 981 N GLU A 71 -10.570 4.158 7.715 1.00 0.00 N ATOM 982 CA GLU A 71 -11.498 5.253 7.455 1.00 0.00 C ATOM 983 C GLU A 71 -10.758 6.478 6.927 1.00 0.00 C ATOM 984 O GLU A 71 -9.900 7.039 7.608 1.00 0.00 O ATOM 985 CB GLU A 71 -12.265 5.612 8.730 1.00 0.00 C ATOM 986 CG GLU A 71 -13.646 4.981 8.807 1.00 0.00 C ATOM 987 CD GLU A 71 -14.613 5.798 9.641 1.00 0.00 C ATOM 988 OE1 GLU A 71 -14.290 6.088 10.811 1.00 0.00 O ATOM 989 OE2 GLU A 71 -15.695 6.146 9.122 1.00 0.00 O ATOM 0 H GLU A 71 -9.991 4.285 8.545 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.207 4.925 6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.682 5.297 9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.366 6.696 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.047 4.867 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.561 3.980 9.231 1.00 0.00 H new ATOM 996 N CYS A 72 -11.099 6.889 5.710 1.00 0.00 N ATOM 997 CA CYS A 72 -10.468 8.048 5.089 1.00 0.00 C ATOM 998 C CYS A 72 -11.293 8.551 3.908 1.00 0.00 C ATOM 999 O CYS A 72 -12.199 7.862 3.436 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.053 7.698 4.625 1.00 0.00 C ATOM 1001 SG CYS A 72 -7.771 8.021 5.857 1.00 0.00 S ATOM 0 H CYS A 72 -11.809 6.437 5.134 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.413 8.842 5.834 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.022 6.643 4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.827 8.267 3.723 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.164 7.584 7.017 1.00 0.00 H new ATOM 1007 N PRO A 73 -10.991 9.764 3.413 1.00 0.00 N ATOM 1008 CA PRO A 73 -11.710 10.355 2.281 1.00 0.00 C ATOM 1009 C PRO A 73 -11.777 9.415 1.081 1.00 0.00 C ATOM 1010 O PRO A 73 -11.114 8.378 1.057 1.00 0.00 O ATOM 1011 CB PRO A 73 -10.883 11.596 1.941 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.196 11.952 3.214 1.00 0.00 C ATOM 1013 CD PRO A 73 -9.925 10.651 3.916 1.00 0.00 C ATOM 0 HA PRO A 73 -12.748 10.574 2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.165 11.388 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.517 12.411 1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.269 12.491 3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.821 12.603 3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.934 10.264 3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.972 10.761 4.999 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.581 9.783 0.091 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.735 8.973 -1.110 1.00 0.00 C ATOM 1023 C ALA A 74 -11.624 9.261 -2.114 1.00 0.00 C ATOM 1024 O ALA A 74 -11.106 10.376 -2.179 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.097 9.219 -1.742 1.00 0.00 C ATOM 0 H ALA A 74 -13.137 10.638 0.097 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.665 7.924 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.198 8.607 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.881 8.955 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.189 10.272 -2.009 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.264 8.249 -2.897 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.214 8.394 -3.900 1.00 0.00 C ATOM 1033 C LEU A 75 -8.885 8.766 -3.251 1.00 0.00 C ATOM 1034 O LEU A 75 -8.055 9.441 -3.859 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.607 9.455 -4.928 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.897 9.168 -5.697 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -12.156 10.253 -6.731 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.826 7.801 -6.362 1.00 0.00 C ATOM 0 H LEU A 75 -11.683 7.320 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.094 7.435 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.712 10.412 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.792 9.564 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.726 9.165 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.078 10.031 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.250 11.217 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.325 10.289 -7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.752 7.612 -6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.986 7.778 -7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.689 7.033 -5.601 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.692 8.323 -2.013 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.463 8.610 -1.282 1.00 0.00 C ATOM 1052 C GLN A 76 -6.831 7.329 -0.749 1.00 0.00 C ATOM 1053 O GLN A 76 -5.613 7.158 -0.795 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.744 9.575 -0.129 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.568 11.038 -0.501 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.801 11.970 0.672 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.576 12.922 0.579 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.128 11.700 1.785 1.00 0.00 N ATOM 0 H GLN A 76 -9.370 7.764 -1.495 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.761 9.076 -1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.764 9.419 0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.080 9.338 0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.561 11.192 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.260 11.291 -1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.496 10.900 1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.243 12.293 2.607 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.669 6.433 -0.241 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.177 5.178 0.297 1.00 0.00 C ATOM 1069 C GLY A 77 -6.626 4.262 -0.779 1.00 0.00 C ATOM 1070 O GLY A 77 -7.344 3.413 -1.308 1.00 0.00 O ATOM 0 H GLY A 77 -8.681 6.553 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.397 5.382 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.985 4.670 0.823 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.348 4.431 -1.101 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.702 3.611 -2.119 1.00 0.00 C ATOM 1076 C ILE A 78 -4.004 2.406 -1.494 1.00 0.00 C ATOM 1077 O ILE A 78 -3.341 2.526 -0.464 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.675 4.427 -2.933 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.135 3.594 -4.095 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.538 4.902 -2.040 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.671 4.425 -5.270 1.00 0.00 C ATOM 0 H ILE A 78 -4.739 5.128 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.487 3.263 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.177 5.305 -3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.303 2.986 -3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.912 2.907 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.825 5.475 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.938 5.532 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.035 4.040 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.301 3.768 -6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.505 5.014 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.872 5.094 -4.950 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.159 1.246 -2.124 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.544 0.019 -1.629 1.00 0.00 C ATOM 1095 C PHE A 79 -2.399 -0.419 -2.535 1.00 0.00 C ATOM 1096 O PHE A 79 -2.521 -0.404 -3.760 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.588 -1.095 -1.532 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.253 -1.178 -0.188 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -4.627 -1.815 0.871 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -6.505 -0.620 0.017 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -5.237 -1.894 2.109 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -7.120 -0.696 1.252 1.00 0.00 C ATOM 1103 CZ PHE A 79 -6.485 -1.333 2.300 1.00 0.00 C ATOM 0 H PHE A 79 -4.705 1.130 -2.978 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.141 0.218 -0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.349 -0.936 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.110 -2.050 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.651 -2.255 0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.006 -0.120 -0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.738 -2.394 2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.096 -0.258 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.963 -1.392 3.267 1.00 0.00 H new ATOM 1113 N THR A 80 -1.284 -0.810 -1.924 1.00 0.00 N ATOM 1114 CA THR A 80 -0.115 -1.254 -2.675 1.00 0.00 C ATOM 1115 C THR A 80 0.807 -2.096 -1.798 1.00 0.00 C ATOM 1116 O THR A 80 0.537 -2.299 -0.614 1.00 0.00 O ATOM 1117 CB THR A 80 0.648 -0.051 -3.231 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.822 -0.470 -3.904 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.059 0.941 -2.164 1.00 0.00 C ATOM 0 H THR A 80 -1.166 -0.828 -0.911 1.00 0.00 H new ATOM 0 HA THR A 80 -0.460 -1.870 -3.505 1.00 0.00 H new ATOM 0 HB THR A 80 -0.044 0.441 -3.914 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.296 0.313 -4.254 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.596 1.770 -2.625 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.171 1.320 -1.658 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.706 0.448 -1.439 1.00 0.00 H new ATOM 1127 N ARG A 81 1.894 -2.582 -2.387 1.00 0.00 N ATOM 1128 CA ARG A 81 2.854 -3.402 -1.659 1.00 0.00 C ATOM 1129 C ARG A 81 3.747 -2.536 -0.772 1.00 0.00 C ATOM 1130 O ARG A 81 4.143 -1.438 -1.162 1.00 0.00 O ATOM 1131 CB ARG A 81 3.714 -4.206 -2.635 1.00 0.00 C ATOM 1132 CG ARG A 81 2.907 -4.946 -3.689 1.00 0.00 C ATOM 1133 CD ARG A 81 3.809 -5.668 -4.678 1.00 0.00 C ATOM 1134 NE ARG A 81 3.331 -5.534 -6.052 1.00 0.00 N ATOM 1135 CZ ARG A 81 4.089 -5.749 -7.125 1.00 0.00 C ATOM 1136 NH1 ARG A 81 5.360 -6.106 -6.988 1.00 0.00 N ATOM 1137 NH2 ARG A 81 3.575 -5.605 -8.339 1.00 0.00 N ATOM 0 H ARG A 81 2.132 -2.422 -3.366 1.00 0.00 H new ATOM 0 HA ARG A 81 2.297 -4.091 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.413 -3.532 -3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.310 -4.926 -2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.247 -5.666 -3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.271 -4.240 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.820 -5.268 -4.605 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.864 -6.724 -4.414 1.00 0.00 H new ATOM 0 HE ARG A 81 2.359 -5.260 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.761 -6.217 -6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.936 -6.269 -7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.599 -5.330 -8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.155 -5.770 -9.161 1.00 0.00 H new ATOM 1151 N PRO A 82 4.081 -3.021 0.437 1.00 0.00 N ATOM 1152 CA PRO A 82 4.933 -2.280 1.374 1.00 0.00 C ATOM 1153 C PRO A 82 6.243 -1.834 0.734 1.00 0.00 C ATOM 1154 O PRO A 82 6.690 -0.704 0.931 1.00 0.00 O ATOM 1155 CB PRO A 82 5.201 -3.292 2.491 1.00 0.00 C ATOM 1156 CG PRO A 82 4.047 -4.232 2.436 1.00 0.00 C ATOM 1157 CD PRO A 82 3.658 -4.323 0.986 1.00 0.00 C ATOM 0 HA PRO A 82 4.457 -1.362 1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.145 -3.814 2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.266 -2.802 3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.322 -5.211 2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.217 -3.867 3.041 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.160 -5.152 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.586 -4.480 0.867 1.00 0.00 H new ATOM 1165 N SER A 83 6.854 -2.730 -0.034 1.00 0.00 N ATOM 1166 CA SER A 83 8.114 -2.432 -0.704 1.00 0.00 C ATOM 1167 C SER A 83 7.959 -1.253 -1.660 1.00 0.00 C ATOM 1168 O SER A 83 8.878 -0.453 -1.828 1.00 0.00 O ATOM 1169 CB SER A 83 8.612 -3.659 -1.468 1.00 0.00 C ATOM 1170 OG SER A 83 10.024 -3.765 -1.399 1.00 0.00 O ATOM 0 H SER A 83 6.496 -3.669 -0.208 1.00 0.00 H new ATOM 0 HA SER A 83 8.846 -2.164 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.156 -4.559 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.300 -3.594 -2.510 1.00 0.00 H new ATOM 0 HG SER A 83 10.317 -4.559 -1.894 1.00 0.00 H new ATOM 1176 N LYS A 84 6.790 -1.153 -2.286 1.00 0.00 N ATOM 1177 CA LYS A 84 6.517 -0.072 -3.225 1.00 0.00 C ATOM 1178 C LYS A 84 6.576 1.284 -2.527 1.00 0.00 C ATOM 1179 O LYS A 84 6.911 2.296 -3.144 1.00 0.00 O ATOM 1180 CB LYS A 84 5.147 -0.265 -3.877 1.00 0.00 C ATOM 1181 CG LYS A 84 5.068 -1.487 -4.778 1.00 0.00 C ATOM 1182 CD LYS A 84 5.362 -1.131 -6.226 1.00 0.00 C ATOM 1183 CE LYS A 84 5.861 -2.336 -7.009 1.00 0.00 C ATOM 1184 NZ LYS A 84 4.834 -2.849 -7.956 1.00 0.00 N ATOM 0 H LYS A 84 6.018 -1.807 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 84 7.284 -0.096 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.391 -0.350 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.904 0.623 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.779 -2.239 -4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.075 -1.930 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.459 -0.740 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.109 -0.338 -6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.760 -2.062 -7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.142 -3.128 -6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.202 -3.690 -8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.973 -3.103 -7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.608 -2.113 -8.656 1.00 0.00 H new ATOM 1198 N LEU A 85 6.248 1.297 -1.239 1.00 0.00 N ATOM 1199 CA LEU A 85 6.265 2.529 -0.460 1.00 0.00 C ATOM 1200 C LEU A 85 7.686 2.888 -0.038 1.00 0.00 C ATOM 1201 O LEU A 85 8.582 2.043 -0.060 1.00 0.00 O ATOM 1202 CB LEU A 85 5.373 2.389 0.775 1.00 0.00 C ATOM 1203 CG LEU A 85 3.975 1.829 0.505 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.240 1.577 1.814 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.181 2.776 -0.383 1.00 0.00 C ATOM 0 H LEU A 85 5.968 0.469 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 85 5.879 3.331 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.874 1.742 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.271 3.368 1.244 1.00 0.00 H new ATOM 0 HG LEU A 85 4.080 0.879 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.247 1.179 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.800 0.858 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.146 2.513 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.190 2.360 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.084 3.743 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.699 2.904 -1.333 1.00 0.00 H new ATOM 1217 N THR A 86 7.884 4.144 0.347 1.00 0.00 N ATOM 1218 CA THR A 86 9.197 4.614 0.775 1.00 0.00 C ATOM 1219 C THR A 86 9.065 5.733 1.804 1.00 0.00 C ATOM 1220 O THR A 86 7.957 6.125 2.169 1.00 0.00 O ATOM 1221 CB THR A 86 10.003 5.104 -0.429 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.175 5.819 -1.330 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.663 3.984 -1.203 1.00 0.00 C ATOM 0 H THR A 86 7.153 4.855 0.372 1.00 0.00 H new ATOM 0 HA THR A 86 9.722 3.779 1.239 1.00 0.00 H new ATOM 0 HB THR A 86 10.781 5.745 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.709 6.125 -2.092 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.218 4.400 -2.043 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.347 3.443 -0.549 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.900 3.300 -1.575 1.00 0.00 H new ATOM 1231 N ARG A 87 10.202 6.241 2.268 1.00 0.00 N ATOM 1232 CA ARG A 87 10.212 7.315 3.255 1.00 0.00 C ATOM 1233 C ARG A 87 10.978 8.527 2.734 1.00 0.00 C ATOM 1234 O ARG A 87 11.597 9.260 3.505 1.00 0.00 O ATOM 1235 CB ARG A 87 10.835 6.828 4.564 1.00 0.00 C ATOM 1236 CG ARG A 87 9.884 6.010 5.423 1.00 0.00 C ATOM 1237 CD ARG A 87 10.637 5.038 6.318 1.00 0.00 C ATOM 1238 NE ARG A 87 10.812 5.562 7.670 1.00 0.00 N ATOM 1239 CZ ARG A 87 11.711 5.097 8.534 1.00 0.00 C ATOM 1240 NH1 ARG A 87 12.518 4.101 8.192 1.00 0.00 N ATOM 1241 NH2 ARG A 87 11.804 5.630 9.746 1.00 0.00 N ATOM 0 H ARG A 87 11.128 5.927 1.977 1.00 0.00 H new ATOM 0 HA ARG A 87 9.180 7.613 3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.715 6.226 4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.178 7.690 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.280 6.678 6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.197 5.458 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.096 4.093 6.363 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.613 4.826 5.882 1.00 0.00 H new ATOM 0 HE ARG A 87 10.210 6.329 7.969 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.452 3.687 7.262 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.205 3.749 8.859 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.186 6.396 10.015 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.493 5.274 10.408 1.00 0.00 H new ATOM 1255 N GLN A 88 10.934 8.730 1.422 1.00 0.00 N ATOM 1256 CA GLN A 88 11.623 9.853 0.798 1.00 0.00 C ATOM 1257 C GLN A 88 11.336 9.905 -0.700 1.00 0.00 C ATOM 1258 O GLN A 88 11.165 8.869 -1.344 1.00 0.00 O ATOM 1259 CB GLN A 88 13.130 9.750 1.037 1.00 0.00 C ATOM 1260 CG GLN A 88 13.739 8.450 0.538 1.00 0.00 C ATOM 1261 CD GLN A 88 14.891 7.975 1.401 1.00 0.00 C ATOM 1262 OE1 GLN A 88 15.673 8.779 1.909 1.00 0.00 O ATOM 1263 NE2 GLN A 88 15.002 6.663 1.570 1.00 0.00 N ATOM 0 H GLN A 88 10.428 8.131 0.770 1.00 0.00 H new ATOM 0 HA GLN A 88 11.252 10.772 1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.625 10.586 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.327 9.847 2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.969 7.679 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.089 8.587 -0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.331 6.034 1.130 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.758 6.284 2.140 1.00 0.00 H new ATOM 1272 N PRO A 89 11.278 11.117 -1.279 1.00 0.00 N ATOM 1273 CA PRO A 89 11.008 11.296 -2.709 1.00 0.00 C ATOM 1274 C PRO A 89 12.197 10.897 -3.577 1.00 0.00 C ATOM 1275 O PRO A 89 13.204 11.603 -3.632 1.00 0.00 O ATOM 1276 CB PRO A 89 10.738 12.796 -2.830 1.00 0.00 C ATOM 1277 CG PRO A 89 11.503 13.408 -1.709 1.00 0.00 C ATOM 1278 CD PRO A 89 11.469 12.406 -0.586 1.00 0.00 C ATOM 0 HA PRO A 89 10.184 10.670 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 89 11.070 13.182 -3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.673 13.015 -2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.529 13.623 -2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 89 11.056 14.353 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 89 12.394 12.418 -0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.656 12.611 0.111 1.00 0.00 H new