USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 731 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 79 GLN : amide:sc= -3.55! C(o=-5.2!,f=-7.6!) USER MOD Set 1.2: A 93 GLN : amide:sc= -1.34 K(o=-5.2,f=-8.7!) USER MOD Set 1.3: A 96 GLN : amide:sc= -0.334 K(o=-5.2,f=-9.9) USER MOD Single : A 11 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.099) USER MOD Single : A 16 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.93) USER MOD Single : A 21 THR OG1 : rot -39:sc= 0.145! USER MOD Single : A 25 SER OG : rot -150:sc= -1.9 USER MOD Single : A 26 GLN : amide:sc= -6.35! C(o=-6.3!,f=-9.7!) USER MOD Single : A 27 HIS : no HD1:sc=-0.00271 X(o=-0.0027,f=-0.1) USER MOD Single : A 30 GLN : amide:sc= -0.954 K(o=-0.95,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -8.98! C(o=-9!,f=-6.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00476 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.0013) USER MOD Single : A 55 GLN : amide:sc= -12! C(o=-12!,f=-19!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -110:sc= 1.12 (180deg=-0.973) USER MOD Single : A 77 SER OG : rot 180:sc= -0.222 USER MOD Single : A 82 SER OG : rot 61:sc= -4.44! USER MOD Single : A 87 THR OG1 : rot 160:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -5.2! C(o=-5.2!,f=-3.2!) USER MOD Single : A 92 ASN : amide:sc= -0.0295 K(o=-0.03,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -4.220 -4.291 16.492 1.00 0.00 N ATOM 133 CA GLN A 11 -3.134 -3.333 16.312 1.00 0.00 C ATOM 134 C GLN A 11 -3.194 -2.716 14.917 1.00 0.00 C ATOM 135 O GLN A 11 -3.627 -3.362 13.963 1.00 0.00 O ATOM 136 CB GLN A 11 -1.785 -4.033 16.501 1.00 0.00 C ATOM 137 CG GLN A 11 -1.750 -4.728 17.862 1.00 0.00 C ATOM 138 CD GLN A 11 -1.175 -3.788 18.916 1.00 0.00 C ATOM 139 OE1 GLN A 11 -1.737 -3.652 20.003 1.00 0.00 O ATOM 140 NE2 GLN A 11 -0.079 -3.128 18.658 1.00 0.00 N ATOM 0 HA GLN A 11 -3.242 -2.543 17.055 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.628 -4.762 15.706 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.975 -3.307 16.432 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.756 -5.036 18.148 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.145 -5.633 17.802 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.385 -3.242 17.757 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.314 -2.498 19.358 1.00 0.00 H new ATOM 149 N PRO A 12 -2.765 -1.488 14.784 1.00 0.00 N ATOM 150 CA PRO A 12 -2.766 -0.780 13.476 1.00 0.00 C ATOM 151 C PRO A 12 -2.173 -1.644 12.368 1.00 0.00 C ATOM 152 O PRO A 12 -1.457 -2.609 12.638 1.00 0.00 O ATOM 153 CB PRO A 12 -1.907 0.472 13.706 1.00 0.00 C ATOM 154 CG PRO A 12 -1.438 0.432 15.130 1.00 0.00 C ATOM 155 CD PRO A 12 -2.241 -0.643 15.860 1.00 0.00 C ATOM 0 HA PRO A 12 -3.778 -0.537 13.153 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.059 0.488 13.022 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.486 1.376 13.517 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.372 0.208 15.174 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.580 1.403 15.606 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.614 -1.213 16.545 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.045 -0.207 16.452 1.00 0.00 H new ATOM 163 N LEU A 13 -2.480 -1.299 11.123 1.00 0.00 N ATOM 164 CA LEU A 13 -1.976 -2.057 9.987 1.00 0.00 C ATOM 165 C LEU A 13 -0.609 -1.543 9.567 1.00 0.00 C ATOM 166 O LEU A 13 -0.398 -0.336 9.451 1.00 0.00 O ATOM 167 CB LEU A 13 -2.946 -1.935 8.813 1.00 0.00 C ATOM 168 CG LEU A 13 -2.656 -3.024 7.781 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.793 -3.053 6.762 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.340 -2.719 7.061 1.00 0.00 C ATOM 0 H LEU A 13 -3.071 -0.505 10.877 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.885 -3.103 10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.973 -2.023 9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.851 -0.952 8.353 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.575 -3.989 8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.597 -3.827 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.732 -3.268 7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.862 -2.085 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.138 -3.499 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.416 -1.756 6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.528 -2.685 7.787 1.00 0.00 H new ATOM 182 N LEU A 14 0.317 -2.464 9.333 1.00 0.00 N ATOM 183 CA LEU A 14 1.651 -2.087 8.920 1.00 0.00 C ATOM 184 C LEU A 14 1.766 -2.155 7.404 1.00 0.00 C ATOM 185 O LEU A 14 1.697 -3.231 6.807 1.00 0.00 O ATOM 186 CB LEU A 14 2.658 -3.026 9.571 1.00 0.00 C ATOM 187 CG LEU A 14 2.431 -3.024 11.082 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.580 -3.754 11.778 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.359 -1.578 11.580 1.00 0.00 C ATOM 0 H LEU A 14 0.165 -3.469 9.423 1.00 0.00 H new ATOM 0 HA LEU A 14 1.857 -1.064 9.234 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.544 -4.035 9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.675 -2.706 9.342 1.00 0.00 H new ATOM 0 HG LEU A 14 1.496 -3.535 11.311 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.414 -3.750 12.855 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.626 -4.783 11.422 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.520 -3.250 11.554 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.197 -1.572 12.658 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.294 -1.067 11.351 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.534 -1.064 11.086 1.00 0.00 H new ATOM 201 N LEU A 15 1.932 -0.992 6.793 1.00 0.00 N ATOM 202 CA LEU A 15 2.043 -0.899 5.345 1.00 0.00 C ATOM 203 C LEU A 15 3.283 -0.087 4.982 1.00 0.00 C ATOM 204 O LEU A 15 3.519 0.976 5.555 1.00 0.00 O ATOM 205 CB LEU A 15 0.773 -0.229 4.801 1.00 0.00 C ATOM 206 CG LEU A 15 0.647 -0.437 3.291 1.00 0.00 C ATOM 207 CD1 LEU A 15 1.789 0.288 2.579 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.694 -1.936 2.973 1.00 0.00 C ATOM 0 H LEU A 15 1.993 -0.097 7.279 1.00 0.00 H new ATOM 0 HA LEU A 15 2.143 -1.891 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.103 -0.640 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.796 0.838 5.024 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.303 -0.031 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.699 0.140 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.740 1.353 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.743 -0.112 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.604 -2.083 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.641 -2.352 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.129 -2.441 3.478 1.00 0.00 H new ATOM 220 N GLN A 16 4.083 -0.588 4.043 1.00 0.00 N ATOM 221 CA GLN A 16 5.295 0.127 3.656 1.00 0.00 C ATOM 222 C GLN A 16 5.461 0.195 2.145 1.00 0.00 C ATOM 223 O GLN A 16 4.901 -0.613 1.404 1.00 0.00 O ATOM 224 CB GLN A 16 6.517 -0.543 4.280 1.00 0.00 C ATOM 225 CG GLN A 16 6.503 -0.299 5.789 1.00 0.00 C ATOM 226 CD GLN A 16 7.718 -0.952 6.438 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.081 -2.074 6.088 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.374 -0.310 7.365 1.00 0.00 N ATOM 0 H GLN A 16 3.920 -1.464 3.547 1.00 0.00 H new ATOM 0 HA GLN A 16 5.204 1.149 4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.507 -1.613 4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.431 -0.141 3.842 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.505 0.772 5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.588 -0.704 6.222 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.071 0.620 7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.190 -0.738 7.802 1.00 0.00 H new ATOM 237 N LEU A 17 6.239 1.179 1.703 1.00 0.00 N ATOM 238 CA LEU A 17 6.489 1.380 0.283 1.00 0.00 C ATOM 239 C LEU A 17 7.979 1.573 0.017 1.00 0.00 C ATOM 240 O LEU A 17 8.634 2.390 0.662 1.00 0.00 O ATOM 241 CB LEU A 17 5.713 2.608 -0.200 1.00 0.00 C ATOM 242 CG LEU A 17 5.948 2.831 -1.697 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.059 1.887 -2.506 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.600 4.277 -2.052 1.00 0.00 C ATOM 0 H LEU A 17 6.707 1.850 2.311 1.00 0.00 H new ATOM 0 HA LEU A 17 6.156 0.496 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.649 2.472 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.028 3.489 0.360 1.00 0.00 H new ATOM 0 HG LEU A 17 6.994 2.633 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.230 2.049 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.300 0.854 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.013 2.083 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.766 4.440 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.554 4.468 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.232 4.955 -1.478 1.00 0.00 H new ATOM 256 N PHE A 18 8.505 0.825 -0.950 1.00 0.00 N ATOM 257 CA PHE A 18 9.916 0.935 -1.305 1.00 0.00 C ATOM 258 C PHE A 18 10.076 1.879 -2.485 1.00 0.00 C ATOM 259 O PHE A 18 9.485 1.665 -3.544 1.00 0.00 O ATOM 260 CB PHE A 18 10.480 -0.437 -1.677 1.00 0.00 C ATOM 261 CG PHE A 18 10.806 -1.204 -0.424 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.807 -1.455 0.520 1.00 0.00 C ATOM 263 CD2 PHE A 18 12.110 -1.662 -0.206 1.00 0.00 C ATOM 264 CE1 PHE A 18 10.112 -2.162 1.688 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.418 -2.372 0.959 1.00 0.00 C ATOM 266 CZ PHE A 18 11.416 -2.622 1.908 1.00 0.00 C ATOM 0 H PHE A 18 7.980 0.142 -1.497 1.00 0.00 H new ATOM 0 HA PHE A 18 10.462 1.324 -0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.756 -0.989 -2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.375 -0.320 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.800 -1.104 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.880 -1.467 -0.938 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.341 -2.353 2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.424 -2.727 1.127 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.650 -3.170 2.809 1.00 0.00 H new ATOM 276 N VAL A 19 10.861 2.931 -2.298 1.00 0.00 N ATOM 277 CA VAL A 19 11.057 3.897 -3.371 1.00 0.00 C ATOM 278 C VAL A 19 12.534 4.225 -3.571 1.00 0.00 C ATOM 279 O VAL A 19 13.345 4.091 -2.654 1.00 0.00 O ATOM 280 CB VAL A 19 10.281 5.173 -3.051 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.863 4.802 -2.614 1.00 0.00 C ATOM 282 CG2 VAL A 19 10.983 5.925 -1.917 1.00 0.00 C ATOM 0 H VAL A 19 11.363 3.136 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 19 10.687 3.457 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 19 10.238 5.808 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.304 5.709 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.364 4.262 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.909 4.170 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.430 6.836 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.023 5.292 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.996 6.183 -2.224 1.00 0.00 H new ATOM 292 N ASP A 20 12.866 4.657 -4.784 1.00 0.00 N ATOM 293 CA ASP A 20 14.240 5.013 -5.121 1.00 0.00 C ATOM 294 C ASP A 20 14.433 6.526 -5.058 1.00 0.00 C ATOM 295 O ASP A 20 15.364 7.065 -5.655 1.00 0.00 O ATOM 296 CB ASP A 20 14.583 4.506 -6.523 1.00 0.00 C ATOM 297 CG ASP A 20 13.762 5.257 -7.564 1.00 0.00 C ATOM 298 OD1 ASP A 20 12.717 5.773 -7.205 1.00 0.00 O ATOM 299 OD2 ASP A 20 14.190 5.305 -8.705 1.00 0.00 O ATOM 0 H ASP A 20 12.202 4.769 -5.550 1.00 0.00 H new ATOM 0 HA ASP A 20 14.906 4.545 -4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.647 4.643 -6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.382 3.437 -6.591 1.00 0.00 H new ATOM 304 N THR A 21 13.543 7.201 -4.334 1.00 0.00 N ATOM 305 CA THR A 21 13.608 8.655 -4.191 1.00 0.00 C ATOM 306 C THR A 21 13.113 9.359 -5.453 1.00 0.00 C ATOM 307 O THR A 21 13.155 10.586 -5.543 1.00 0.00 O ATOM 308 CB THR A 21 15.047 9.093 -3.901 1.00 0.00 C ATOM 309 OG1 THR A 21 15.780 9.147 -5.117 1.00 0.00 O ATOM 310 CG2 THR A 21 15.706 8.091 -2.953 1.00 0.00 C ATOM 0 H THR A 21 12.767 6.764 -3.836 1.00 0.00 H new ATOM 0 HA THR A 21 12.962 8.935 -3.359 1.00 0.00 H new ATOM 0 HB THR A 21 15.039 10.079 -3.437 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.524 8.392 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.730 8.404 -2.747 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.145 8.050 -2.020 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.714 7.104 -3.415 1.00 0.00 H new ATOM 318 N ARG A 22 12.635 8.583 -6.422 1.00 0.00 N ATOM 319 CA ARG A 22 12.125 9.158 -7.665 1.00 0.00 C ATOM 320 C ARG A 22 10.762 9.816 -7.424 1.00 0.00 C ATOM 321 O ARG A 22 9.942 9.297 -6.667 1.00 0.00 O ATOM 322 CB ARG A 22 11.989 8.066 -8.727 1.00 0.00 C ATOM 323 CG ARG A 22 10.712 7.271 -8.464 1.00 0.00 C ATOM 324 CD ARG A 22 10.694 6.016 -9.339 1.00 0.00 C ATOM 325 NE ARG A 22 11.156 6.326 -10.687 1.00 0.00 N ATOM 326 CZ ARG A 22 10.941 5.488 -11.694 1.00 0.00 C ATOM 327 NH1 ARG A 22 11.179 4.213 -11.544 1.00 0.00 N ATOM 328 NH2 ARG A 22 10.490 5.938 -12.833 1.00 0.00 N ATOM 0 H ARG A 22 12.590 7.565 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 22 12.827 9.915 -8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.957 8.510 -9.722 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.856 7.405 -8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.656 6.993 -7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.839 7.887 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.330 5.249 -8.898 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.684 5.608 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 22 11.652 7.200 -10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.530 3.861 -10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.014 3.569 -12.317 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.303 6.934 -12.950 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.325 5.294 -13.606 1.00 0.00 H new ATOM 342 N PRO A 23 10.509 10.944 -8.043 1.00 0.00 N ATOM 343 CA PRO A 23 9.222 11.679 -7.876 1.00 0.00 C ATOM 344 C PRO A 23 8.008 10.793 -8.147 1.00 0.00 C ATOM 345 O PRO A 23 6.969 10.938 -7.503 1.00 0.00 O ATOM 346 CB PRO A 23 9.272 12.814 -8.905 1.00 0.00 C ATOM 347 CG PRO A 23 10.562 12.689 -9.650 1.00 0.00 C ATOM 348 CD PRO A 23 11.426 11.637 -8.952 1.00 0.00 C ATOM 0 HA PRO A 23 9.115 12.034 -6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.426 12.748 -9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.207 13.783 -8.410 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.376 12.400 -10.684 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.079 13.648 -9.675 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.867 10.947 -9.671 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.249 12.099 -8.407 1.00 0.00 H new ATOM 356 N LEU A 24 8.141 9.883 -9.108 1.00 0.00 N ATOM 357 CA LEU A 24 7.038 8.993 -9.452 1.00 0.00 C ATOM 358 C LEU A 24 6.547 8.255 -8.210 1.00 0.00 C ATOM 359 O LEU A 24 5.344 8.130 -7.985 1.00 0.00 O ATOM 360 CB LEU A 24 7.495 7.984 -10.506 1.00 0.00 C ATOM 361 CG LEU A 24 6.317 7.107 -10.919 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.431 7.866 -11.910 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.853 5.835 -11.576 1.00 0.00 C ATOM 0 H LEU A 24 8.990 9.744 -9.656 1.00 0.00 H new ATOM 0 HA LEU A 24 6.219 9.589 -9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.895 8.506 -11.375 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.300 7.366 -10.108 1.00 0.00 H new ATOM 0 HG LEU A 24 5.725 6.847 -10.041 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.591 7.237 -12.203 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.057 8.776 -11.441 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.014 8.127 -12.793 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.019 5.201 -11.875 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.441 6.099 -12.455 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.482 5.297 -10.867 1.00 0.00 H new ATOM 375 N SER A 25 7.489 7.783 -7.397 1.00 0.00 N ATOM 376 CA SER A 25 7.142 7.079 -6.171 1.00 0.00 C ATOM 377 C SER A 25 6.408 8.026 -5.232 1.00 0.00 C ATOM 378 O SER A 25 5.386 7.669 -4.647 1.00 0.00 O ATOM 379 CB SER A 25 8.406 6.552 -5.493 1.00 0.00 C ATOM 380 OG SER A 25 9.139 5.757 -6.416 1.00 0.00 O ATOM 0 H SER A 25 8.491 7.876 -7.565 1.00 0.00 H new ATOM 0 HA SER A 25 6.495 6.236 -6.413 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.019 7.383 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.142 5.961 -4.616 1.00 0.00 H new ATOM 0 HG SER A 25 9.635 5.065 -5.930 1.00 0.00 H new ATOM 386 N GLN A 26 6.916 9.252 -5.127 1.00 0.00 N ATOM 387 CA GLN A 26 6.274 10.259 -4.295 1.00 0.00 C ATOM 388 C GLN A 26 4.900 10.537 -4.876 1.00 0.00 C ATOM 389 O GLN A 26 3.939 10.820 -4.160 1.00 0.00 O ATOM 390 CB GLN A 26 7.112 11.541 -4.275 1.00 0.00 C ATOM 391 CG GLN A 26 8.377 11.315 -3.441 1.00 0.00 C ATOM 392 CD GLN A 26 8.821 9.859 -3.539 1.00 0.00 C ATOM 393 OE1 GLN A 26 9.503 9.480 -4.490 1.00 0.00 O ATOM 394 NE2 GLN A 26 8.469 9.016 -2.607 1.00 0.00 N ATOM 0 H GLN A 26 7.761 9.567 -5.603 1.00 0.00 H new ATOM 0 HA GLN A 26 6.184 9.901 -3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.381 11.828 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.530 12.362 -3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.174 11.970 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.186 11.575 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.903 9.333 -1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.759 8.040 -2.666 1.00 0.00 H new ATOM 403 N HIS A 27 4.833 10.422 -6.195 1.00 0.00 N ATOM 404 CA HIS A 27 3.600 10.622 -6.934 1.00 0.00 C ATOM 405 C HIS A 27 2.613 9.522 -6.544 1.00 0.00 C ATOM 406 O HIS A 27 1.491 9.784 -6.094 1.00 0.00 O ATOM 407 CB HIS A 27 3.929 10.513 -8.421 1.00 0.00 C ATOM 408 CG HIS A 27 3.054 11.414 -9.238 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.721 11.646 -8.943 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.328 12.151 -10.360 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.244 12.493 -9.874 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.183 12.833 -10.762 1.00 0.00 N ATOM 0 H HIS A 27 5.634 10.187 -6.781 1.00 0.00 H new ATOM 0 HA HIS A 27 3.161 11.595 -6.714 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.975 10.772 -8.584 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.801 9.482 -8.750 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.286 12.196 -10.857 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.226 12.854 -9.900 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.082 13.458 -11.562 1.00 0.00 H new ATOM 420 N ILE A 28 3.069 8.283 -6.701 1.00 0.00 N ATOM 421 CA ILE A 28 2.263 7.126 -6.351 1.00 0.00 C ATOM 422 C ILE A 28 1.988 7.112 -4.854 1.00 0.00 C ATOM 423 O ILE A 28 0.927 6.670 -4.413 1.00 0.00 O ATOM 424 CB ILE A 28 2.985 5.842 -6.764 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.083 5.782 -8.291 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.209 4.626 -6.253 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.844 4.521 -8.707 1.00 0.00 C ATOM 0 H ILE A 28 3.993 8.058 -7.069 1.00 0.00 H new ATOM 0 HA ILE A 28 1.313 7.185 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 28 3.986 5.836 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.085 5.778 -8.730 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.594 6.668 -8.668 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.726 3.713 -6.549 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.141 4.668 -5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.206 4.629 -6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.913 4.480 -9.794 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.847 4.544 -8.280 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.315 3.640 -8.343 1.00 0.00 H new ATOM 439 N VAL A 29 2.946 7.606 -4.074 1.00 0.00 N ATOM 440 CA VAL A 29 2.778 7.650 -2.629 1.00 0.00 C ATOM 441 C VAL A 29 1.513 8.418 -2.285 1.00 0.00 C ATOM 442 O VAL A 29 0.718 7.983 -1.452 1.00 0.00 O ATOM 443 CB VAL A 29 3.987 8.311 -1.965 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.663 8.600 -0.498 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.187 7.363 -2.043 1.00 0.00 C ATOM 0 H VAL A 29 3.834 7.976 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 29 2.696 6.629 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 29 4.223 9.244 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.523 9.071 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.804 9.269 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.431 7.666 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.051 7.830 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.950 6.433 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.415 7.150 -3.087 1.00 0.00 H new ATOM 455 N GLN A 30 1.315 9.549 -2.953 1.00 0.00 N ATOM 456 CA GLN A 30 0.118 10.339 -2.718 1.00 0.00 C ATOM 457 C GLN A 30 -1.099 9.493 -3.034 1.00 0.00 C ATOM 458 O GLN A 30 -2.074 9.479 -2.284 1.00 0.00 O ATOM 459 CB GLN A 30 0.109 11.587 -3.602 1.00 0.00 C ATOM 460 CG GLN A 30 1.222 12.533 -3.164 1.00 0.00 C ATOM 461 CD GLN A 30 1.005 12.953 -1.714 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.386 12.229 -0.794 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.407 14.082 -1.456 1.00 0.00 N ATOM 0 H GLN A 30 1.956 9.932 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 30 0.102 10.654 -1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.247 11.306 -4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.856 12.088 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.190 12.043 -3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.238 13.412 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.093 14.679 -2.221 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.253 14.368 -0.489 1.00 0.00 H new ATOM 472 N ARG A 31 -1.023 8.763 -4.142 1.00 0.00 N ATOM 473 CA ARG A 31 -2.125 7.895 -4.525 1.00 0.00 C ATOM 474 C ARG A 31 -2.328 6.826 -3.462 1.00 0.00 C ATOM 475 O ARG A 31 -3.457 6.488 -3.113 1.00 0.00 O ATOM 476 CB ARG A 31 -1.849 7.241 -5.876 1.00 0.00 C ATOM 477 CG ARG A 31 -1.858 8.314 -6.963 1.00 0.00 C ATOM 478 CD ARG A 31 -1.799 7.649 -8.337 1.00 0.00 C ATOM 479 NE ARG A 31 -0.578 6.863 -8.473 1.00 0.00 N ATOM 480 CZ ARG A 31 -0.057 6.607 -9.668 1.00 0.00 C ATOM 481 NH1 ARG A 31 0.762 7.461 -10.220 1.00 0.00 N ATOM 482 NH2 ARG A 31 -0.365 5.503 -10.292 1.00 0.00 N ATOM 0 H ARG A 31 -0.226 8.755 -4.778 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.030 8.496 -4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.885 6.733 -5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.604 6.484 -6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.758 8.923 -6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.008 8.984 -6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.669 7.007 -8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.838 8.409 -9.117 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.117 6.504 -7.637 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.002 8.325 -9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.162 7.264 -11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.006 4.836 -9.862 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.035 5.307 -11.209 1.00 0.00 H new ATOM 496 N VAL A 32 -1.224 6.310 -2.936 1.00 0.00 N ATOM 497 CA VAL A 32 -1.297 5.295 -1.894 1.00 0.00 C ATOM 498 C VAL A 32 -1.922 5.894 -0.639 1.00 0.00 C ATOM 499 O VAL A 32 -2.877 5.352 -0.083 1.00 0.00 O ATOM 500 CB VAL A 32 0.108 4.775 -1.577 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.043 3.783 -0.413 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.680 4.073 -2.811 1.00 0.00 C ATOM 0 H VAL A 32 -0.278 6.574 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.913 4.466 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 32 0.748 5.613 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.045 3.416 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.364 4.281 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.599 2.945 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.680 3.702 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.036 3.238 -3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.732 4.779 -3.640 1.00 0.00 H new ATOM 512 N LYS A 33 -1.372 7.023 -0.204 1.00 0.00 N ATOM 513 CA LYS A 33 -1.865 7.710 0.980 1.00 0.00 C ATOM 514 C LYS A 33 -3.304 8.186 0.799 1.00 0.00 C ATOM 515 O LYS A 33 -4.121 8.083 1.713 1.00 0.00 O ATOM 516 CB LYS A 33 -0.972 8.909 1.279 1.00 0.00 C ATOM 517 CG LYS A 33 0.409 8.419 1.711 1.00 0.00 C ATOM 518 CD LYS A 33 1.250 9.613 2.159 1.00 0.00 C ATOM 519 CE LYS A 33 2.672 9.152 2.483 1.00 0.00 C ATOM 520 NZ LYS A 33 2.961 9.407 3.923 1.00 0.00 N ATOM 0 H LYS A 33 -0.582 7.481 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.845 7.004 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.886 9.541 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.416 9.520 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.314 7.700 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.899 7.903 0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.273 10.369 1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.800 10.078 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.781 8.090 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.389 9.683 1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.928 9.094 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.873 10.424 4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.284 8.881 4.511 1.00 0.00 H new ATOM 534 N ASN A 34 -3.600 8.727 -0.379 1.00 0.00 N ATOM 535 CA ASN A 34 -4.936 9.240 -0.661 1.00 0.00 C ATOM 536 C ASN A 34 -5.989 8.137 -0.582 1.00 0.00 C ATOM 537 O ASN A 34 -7.048 8.320 0.018 1.00 0.00 O ATOM 538 CB ASN A 34 -4.953 9.862 -2.058 1.00 0.00 C ATOM 539 CG ASN A 34 -3.972 11.030 -2.126 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.875 11.816 -1.184 1.00 0.00 O ATOM 541 ND2 ASN A 34 -3.231 11.190 -3.192 1.00 0.00 N ATOM 0 H ASN A 34 -2.938 8.821 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.178 9.991 0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.688 9.111 -2.802 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.959 10.207 -2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.572 11.967 -3.243 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.312 10.538 -3.972 1.00 0.00 H new ATOM 548 N ILE A 35 -5.694 6.999 -1.195 1.00 0.00 N ATOM 549 CA ILE A 35 -6.629 5.875 -1.195 1.00 0.00 C ATOM 550 C ILE A 35 -6.747 5.240 0.187 1.00 0.00 C ATOM 551 O ILE A 35 -7.850 5.016 0.683 1.00 0.00 O ATOM 552 CB ILE A 35 -6.166 4.823 -2.196 1.00 0.00 C ATOM 553 CG1 ILE A 35 -6.123 5.441 -3.595 1.00 0.00 C ATOM 554 CG2 ILE A 35 -7.142 3.645 -2.185 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.400 4.494 -4.552 1.00 0.00 C ATOM 0 H ILE A 35 -4.822 6.827 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.610 6.258 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.171 4.470 -1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.136 5.631 -3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.611 6.403 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.812 2.892 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.173 3.208 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.137 3.995 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.370 4.936 -5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.382 4.327 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.931 3.543 -4.593 1.00 0.00 H new ATOM 567 N LEU A 36 -5.606 4.945 0.804 1.00 0.00 N ATOM 568 CA LEU A 36 -5.609 4.328 2.126 1.00 0.00 C ATOM 569 C LEU A 36 -6.345 5.212 3.119 1.00 0.00 C ATOM 570 O LEU A 36 -7.108 4.725 3.952 1.00 0.00 O ATOM 571 CB LEU A 36 -4.176 4.101 2.606 1.00 0.00 C ATOM 572 CG LEU A 36 -3.491 3.075 1.705 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.027 2.931 2.121 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.195 1.724 1.852 1.00 0.00 C ATOM 0 H LEU A 36 -4.679 5.120 0.416 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.120 3.368 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.623 5.040 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.179 3.750 3.638 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.544 3.406 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.537 2.199 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.525 3.893 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.974 2.598 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.709 0.989 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.137 1.395 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.241 1.825 1.561 1.00 0.00 H new ATOM 586 N ALA A 37 -6.128 6.514 3.011 1.00 0.00 N ATOM 587 CA ALA A 37 -6.793 7.457 3.892 1.00 0.00 C ATOM 588 C ALA A 37 -8.281 7.473 3.580 1.00 0.00 C ATOM 589 O ALA A 37 -9.093 7.937 4.380 1.00 0.00 O ATOM 590 CB ALA A 37 -6.211 8.859 3.702 1.00 0.00 C ATOM 0 H ALA A 37 -5.501 6.938 2.327 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.638 7.150 4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.718 9.557 4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.146 8.845 3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.354 9.175 2.669 1.00 0.00 H new ATOM 596 N ALA A 38 -8.626 6.968 2.398 1.00 0.00 N ATOM 597 CA ALA A 38 -10.018 6.937 1.973 1.00 0.00 C ATOM 598 C ALA A 38 -10.746 5.714 2.528 1.00 0.00 C ATOM 599 O ALA A 38 -11.970 5.628 2.450 1.00 0.00 O ATOM 600 CB ALA A 38 -10.093 6.924 0.445 1.00 0.00 C ATOM 0 H ALA A 38 -7.966 6.579 1.725 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.506 7.830 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.137 6.901 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.616 7.821 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.580 6.041 0.063 1.00 0.00 H new ATOM 606 N VAL A 39 -9.989 4.769 3.079 1.00 0.00 N ATOM 607 CA VAL A 39 -10.589 3.557 3.630 1.00 0.00 C ATOM 608 C VAL A 39 -11.047 3.773 5.070 1.00 0.00 C ATOM 609 O VAL A 39 -11.725 2.922 5.646 1.00 0.00 O ATOM 610 CB VAL A 39 -9.584 2.406 3.581 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.569 2.565 4.714 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.327 1.077 3.744 1.00 0.00 C ATOM 0 H VAL A 39 -8.973 4.817 3.156 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.461 3.309 3.024 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.063 2.418 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.853 1.744 4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.042 3.512 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.088 2.552 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.613 0.254 3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.847 1.066 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.051 0.963 2.937 1.00 0.00 H new ATOM 622 N GLU A 40 -10.675 4.910 5.647 1.00 0.00 N ATOM 623 CA GLU A 40 -11.060 5.216 7.022 1.00 0.00 C ATOM 624 C GLU A 40 -11.038 3.949 7.873 1.00 0.00 C ATOM 625 O GLU A 40 -10.010 3.279 7.977 1.00 0.00 O ATOM 626 CB GLU A 40 -12.464 5.827 7.039 1.00 0.00 C ATOM 627 CG GLU A 40 -12.460 7.129 6.235 1.00 0.00 C ATOM 628 CD GLU A 40 -13.846 7.764 6.263 1.00 0.00 C ATOM 629 OE1 GLU A 40 -14.775 7.094 6.682 1.00 0.00 O ATOM 630 OE2 GLU A 40 -13.957 8.912 5.865 1.00 0.00 O ATOM 0 H GLU A 40 -10.113 5.629 5.191 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.348 5.930 7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.183 5.126 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.776 6.021 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.726 7.820 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.163 6.929 5.205 1.00 0.00 H new ATOM 637 N ALA A 41 -12.179 3.620 8.471 1.00 0.00 N ATOM 638 CA ALA A 41 -12.278 2.423 9.302 1.00 0.00 C ATOM 639 C ALA A 41 -11.734 2.683 10.704 1.00 0.00 C ATOM 640 O ALA A 41 -11.101 3.708 10.958 1.00 0.00 O ATOM 641 CB ALA A 41 -11.499 1.275 8.657 1.00 0.00 C ATOM 0 H ALA A 41 -13.041 4.160 8.397 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.331 2.153 9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.577 0.386 9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.913 1.063 7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.451 1.557 8.557 1.00 0.00 H new ATOM 647 N THR A 42 -11.983 1.741 11.611 1.00 0.00 N ATOM 648 CA THR A 42 -11.514 1.869 12.987 1.00 0.00 C ATOM 649 C THR A 42 -10.094 1.327 13.129 1.00 0.00 C ATOM 650 O THR A 42 -9.472 1.459 14.183 1.00 0.00 O ATOM 651 CB THR A 42 -12.450 1.109 13.930 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.576 -0.236 13.486 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.824 1.779 13.940 1.00 0.00 C ATOM 0 H THR A 42 -12.504 0.885 11.419 1.00 0.00 H new ATOM 0 HA THR A 42 -11.511 2.927 13.250 1.00 0.00 H new ATOM 0 HB THR A 42 -12.038 1.121 14.939 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.174 -0.725 14.089 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.489 1.236 14.612 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.724 2.809 14.282 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.240 1.770 12.933 1.00 0.00 H new ATOM 661 N VAL A 43 -9.587 0.716 12.062 1.00 0.00 N ATOM 662 CA VAL A 43 -8.245 0.156 12.078 1.00 0.00 C ATOM 663 C VAL A 43 -7.351 0.894 11.083 1.00 0.00 C ATOM 664 O VAL A 43 -7.007 0.358 10.029 1.00 0.00 O ATOM 665 CB VAL A 43 -8.309 -1.323 11.706 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.737 -2.140 12.925 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.326 -1.517 10.580 1.00 0.00 C ATOM 0 H VAL A 43 -10.085 0.598 11.180 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.826 0.267 13.078 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.326 -1.658 11.374 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.782 -3.196 12.658 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.014 -2.000 13.729 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.720 -1.808 13.259 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.375 -2.572 10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.308 -1.182 10.915 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.021 -0.935 9.710 1.00 0.00 H new ATOM 677 N PRO A 44 -6.981 2.111 11.393 1.00 0.00 N ATOM 678 CA PRO A 44 -6.120 2.935 10.498 1.00 0.00 C ATOM 679 C PRO A 44 -4.828 2.216 10.117 1.00 0.00 C ATOM 680 O PRO A 44 -4.341 1.360 10.854 1.00 0.00 O ATOM 681 CB PRO A 44 -5.815 4.209 11.293 1.00 0.00 C ATOM 682 CG PRO A 44 -6.501 4.093 12.620 1.00 0.00 C ATOM 683 CD PRO A 44 -7.348 2.821 12.624 1.00 0.00 C ATOM 0 HA PRO A 44 -6.627 3.143 9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.740 4.328 11.427 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.168 5.089 10.755 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.766 4.060 13.424 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.129 4.966 12.798 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.142 2.214 13.505 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.412 3.056 12.641 1.00 0.00 H new ATOM 691 N ILE A 45 -4.283 2.569 8.956 1.00 0.00 N ATOM 692 CA ILE A 45 -3.051 1.949 8.480 1.00 0.00 C ATOM 693 C ILE A 45 -1.870 2.902 8.633 1.00 0.00 C ATOM 694 O ILE A 45 -1.995 4.103 8.390 1.00 0.00 O ATOM 695 CB ILE A 45 -3.184 1.575 7.004 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.490 0.809 6.781 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.995 0.693 6.600 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.410 1.622 5.866 1.00 0.00 C ATOM 0 H ILE A 45 -4.672 3.276 8.332 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.877 1.055 9.079 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.193 2.480 6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.282 -0.163 6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.982 0.622 7.736 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.084 0.422 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.066 1.241 6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.990 -0.212 7.208 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.340 1.076 5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.628 2.583 6.331 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.917 1.786 4.908 1.00 0.00 H new ATOM 710 N SER A 46 -0.716 2.359 9.008 1.00 0.00 N ATOM 711 CA SER A 46 0.481 3.176 9.157 1.00 0.00 C ATOM 712 C SER A 46 1.375 2.981 7.938 1.00 0.00 C ATOM 713 O SER A 46 1.801 1.863 7.646 1.00 0.00 O ATOM 714 CB SER A 46 1.239 2.778 10.425 1.00 0.00 C ATOM 715 OG SER A 46 2.349 3.647 10.603 1.00 0.00 O ATOM 0 H SER A 46 -0.585 1.368 9.212 1.00 0.00 H new ATOM 0 HA SER A 46 0.193 4.224 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.578 2.833 11.290 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.580 1.745 10.349 1.00 0.00 H new ATOM 0 HG SER A 46 2.835 3.395 11.416 1.00 0.00 H new ATOM 721 N LEU A 47 1.638 4.063 7.215 1.00 0.00 N ATOM 722 CA LEU A 47 2.462 3.974 6.014 1.00 0.00 C ATOM 723 C LEU A 47 3.882 4.461 6.279 1.00 0.00 C ATOM 724 O LEU A 47 4.088 5.553 6.809 1.00 0.00 O ATOM 725 CB LEU A 47 1.838 4.813 4.895 1.00 0.00 C ATOM 726 CG LEU A 47 2.070 4.139 3.537 1.00 0.00 C ATOM 727 CD1 LEU A 47 1.722 5.119 2.417 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.536 3.720 3.398 1.00 0.00 C ATOM 0 H LEU A 47 1.299 5.000 7.434 1.00 0.00 H new ATOM 0 HA LEU A 47 2.508 2.927 5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.769 4.932 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.274 5.812 4.893 1.00 0.00 H new ATOM 0 HG LEU A 47 1.436 3.255 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.887 4.641 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.676 5.413 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.355 6.003 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.688 3.243 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.175 4.600 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.791 3.018 4.192 1.00 0.00 H new ATOM 740 N GLN A 48 4.856 3.647 5.884 1.00 0.00 N ATOM 741 CA GLN A 48 6.259 4.004 6.056 1.00 0.00 C ATOM 742 C GLN A 48 7.023 3.703 4.770 1.00 0.00 C ATOM 743 O GLN A 48 6.907 2.611 4.213 1.00 0.00 O ATOM 744 CB GLN A 48 6.874 3.209 7.212 1.00 0.00 C ATOM 745 CG GLN A 48 7.662 4.154 8.124 1.00 0.00 C ATOM 746 CD GLN A 48 6.730 4.798 9.145 1.00 0.00 C ATOM 747 OE1 GLN A 48 6.316 4.150 10.105 1.00 0.00 O ATOM 748 NE2 GLN A 48 6.372 6.044 8.992 1.00 0.00 N ATOM 0 H GLN A 48 4.700 2.740 5.445 1.00 0.00 H new ATOM 0 HA GLN A 48 6.326 5.068 6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.090 2.709 7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.531 2.431 6.823 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.450 3.603 8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.149 4.926 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.717 6.579 8.195 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.748 6.482 9.669 1.00 0.00 H new ATOM 757 N VAL A 49 7.801 4.670 4.301 1.00 0.00 N ATOM 758 CA VAL A 49 8.574 4.481 3.077 1.00 0.00 C ATOM 759 C VAL A 49 9.984 4.031 3.406 1.00 0.00 C ATOM 760 O VAL A 49 10.608 4.537 4.339 1.00 0.00 O ATOM 761 CB VAL A 49 8.654 5.777 2.269 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.267 5.475 0.898 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.251 6.361 2.089 1.00 0.00 C ATOM 0 H VAL A 49 7.914 5.583 4.742 1.00 0.00 H new ATOM 0 HA VAL A 49 8.066 3.719 2.486 1.00 0.00 H new ATOM 0 HB VAL A 49 9.275 6.500 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.327 6.395 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.267 5.063 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.643 4.753 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.312 7.284 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.624 5.644 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.816 6.571 3.066 1.00 0.00 H new ATOM 773 N ILE A 50 10.490 3.090 2.625 1.00 0.00 N ATOM 774 CA ILE A 50 11.835 2.595 2.835 1.00 0.00 C ATOM 775 C ILE A 50 12.674 2.884 1.602 1.00 0.00 C ATOM 776 O ILE A 50 12.256 2.602 0.478 1.00 0.00 O ATOM 777 CB ILE A 50 11.802 1.094 3.110 1.00 0.00 C ATOM 778 CG1 ILE A 50 10.788 0.812 4.221 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.188 0.626 3.554 1.00 0.00 C ATOM 780 CD1 ILE A 50 10.960 -0.620 4.727 1.00 0.00 C ATOM 0 H ILE A 50 9.992 2.658 1.847 1.00 0.00 H new ATOM 0 HA ILE A 50 12.276 3.096 3.697 1.00 0.00 H new ATOM 0 HB ILE A 50 11.514 0.560 2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.928 1.516 5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.775 0.956 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.164 -0.446 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.912 0.835 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.477 1.155 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.236 -0.816 5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.798 -1.318 3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.969 -0.749 5.119 1.00 0.00 H new ATOM 792 N ASN A 51 13.849 3.455 1.810 1.00 0.00 N ATOM 793 CA ASN A 51 14.716 3.782 0.696 1.00 0.00 C ATOM 794 C ASN A 51 15.495 2.545 0.263 1.00 0.00 C ATOM 795 O ASN A 51 16.375 2.070 0.980 1.00 0.00 O ATOM 796 CB ASN A 51 15.691 4.886 1.102 1.00 0.00 C ATOM 797 CG ASN A 51 14.968 6.226 1.177 1.00 0.00 C ATOM 798 OD1 ASN A 51 14.854 6.812 2.253 1.00 0.00 O ATOM 799 ND2 ASN A 51 14.473 6.752 0.089 1.00 0.00 N ATOM 0 H ASN A 51 14.219 3.698 2.729 1.00 0.00 H new ATOM 0 HA ASN A 51 14.105 4.131 -0.137 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.136 4.650 2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.506 4.944 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.991 7.650 0.130 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.568 6.265 -0.802 1.00 0.00 H new ATOM 806 N VAL A 52 15.159 2.024 -0.912 1.00 0.00 N ATOM 807 CA VAL A 52 15.827 0.834 -1.433 1.00 0.00 C ATOM 808 C VAL A 52 17.330 1.057 -1.548 1.00 0.00 C ATOM 809 O VAL A 52 18.117 0.115 -1.454 1.00 0.00 O ATOM 810 CB VAL A 52 15.263 0.481 -2.809 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.751 0.265 -2.708 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.552 1.625 -3.783 1.00 0.00 C ATOM 0 H VAL A 52 14.433 2.403 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 52 15.647 0.014 -0.738 1.00 0.00 H new ATOM 0 HB VAL A 52 15.733 -0.434 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.353 0.014 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.545 -0.550 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.276 1.177 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.151 1.376 -4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.082 2.539 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.629 1.776 -3.858 1.00 0.00 H new ATOM 822 N ALA A 53 17.724 2.308 -1.757 1.00 0.00 N ATOM 823 CA ALA A 53 19.133 2.641 -1.889 1.00 0.00 C ATOM 824 C ALA A 53 19.836 2.520 -0.547 1.00 0.00 C ATOM 825 O ALA A 53 21.062 2.445 -0.483 1.00 0.00 O ATOM 826 CB ALA A 53 19.285 4.070 -2.415 1.00 0.00 C ATOM 0 H ALA A 53 17.090 3.103 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 53 19.588 1.943 -2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.344 4.312 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.804 4.152 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.816 4.766 -1.719 1.00 0.00 H new ATOM 832 N ASP A 54 19.054 2.506 0.529 1.00 0.00 N ATOM 833 CA ASP A 54 19.626 2.402 1.858 1.00 0.00 C ATOM 834 C ASP A 54 19.689 0.950 2.315 1.00 0.00 C ATOM 835 O ASP A 54 20.509 0.597 3.163 1.00 0.00 O ATOM 836 CB ASP A 54 18.796 3.216 2.851 1.00 0.00 C ATOM 837 CG ASP A 54 18.932 4.704 2.546 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.804 5.053 1.767 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.162 5.475 3.096 1.00 0.00 O ATOM 0 H ASP A 54 18.036 2.565 0.503 1.00 0.00 H new ATOM 0 HA ASP A 54 20.641 2.797 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.749 2.918 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.129 3.013 3.869 1.00 0.00 H new ATOM 844 N GLN A 55 18.818 0.111 1.763 1.00 0.00 N ATOM 845 CA GLN A 55 18.798 -1.291 2.149 1.00 0.00 C ATOM 846 C GLN A 55 18.446 -2.192 0.968 1.00 0.00 C ATOM 847 O GLN A 55 17.367 -2.781 0.926 1.00 0.00 O ATOM 848 CB GLN A 55 17.788 -1.489 3.275 1.00 0.00 C ATOM 849 CG GLN A 55 16.405 -1.022 2.815 1.00 0.00 C ATOM 850 CD GLN A 55 15.622 -0.482 4.006 1.00 0.00 C ATOM 851 OE1 GLN A 55 14.946 -1.240 4.701 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.673 0.792 4.284 1.00 0.00 N ATOM 0 H GLN A 55 18.128 0.374 1.059 1.00 0.00 H new ATOM 0 HA GLN A 55 19.795 -1.568 2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.751 -2.540 3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.097 -0.928 4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.506 -0.249 2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.864 -1.851 2.358 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.234 1.418 3.706 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.152 1.162 5.079 1.00 0.00 H new ATOM 861 N PRO A 56 19.341 -2.316 0.026 1.00 0.00 N ATOM 862 CA PRO A 56 19.138 -3.172 -1.175 1.00 0.00 C ATOM 863 C PRO A 56 19.201 -4.655 -0.824 1.00 0.00 C ATOM 864 O PRO A 56 18.890 -5.516 -1.648 1.00 0.00 O ATOM 865 CB PRO A 56 20.277 -2.791 -2.129 1.00 0.00 C ATOM 866 CG PRO A 56 21.087 -1.725 -1.452 1.00 0.00 C ATOM 867 CD PRO A 56 20.647 -1.655 0.011 1.00 0.00 C ATOM 0 HA PRO A 56 18.155 -3.013 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.896 -3.659 -2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.879 -2.428 -3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.151 -1.954 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.936 -0.763 -1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.357 -2.161 0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.575 -0.624 0.356 1.00 0.00 H new ATOM 875 N GLN A 57 19.617 -4.939 0.405 1.00 0.00 N ATOM 876 CA GLN A 57 19.737 -6.316 0.866 1.00 0.00 C ATOM 877 C GLN A 57 18.372 -6.952 1.075 1.00 0.00 C ATOM 878 O GLN A 57 18.122 -8.069 0.619 1.00 0.00 O ATOM 879 CB GLN A 57 20.504 -6.346 2.189 1.00 0.00 C ATOM 880 CG GLN A 57 20.360 -7.726 2.831 1.00 0.00 C ATOM 881 CD GLN A 57 21.204 -7.798 4.098 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.784 -6.795 4.515 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.317 -8.932 4.733 1.00 0.00 N ATOM 0 H GLN A 57 19.876 -4.236 1.098 1.00 0.00 H new ATOM 0 HA GLN A 57 20.270 -6.881 0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.557 -6.122 2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.120 -5.579 2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.314 -7.919 3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.675 -8.498 2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.835 -9.761 4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.887 -8.989 5.577 1.00 0.00 H new ATOM 892 N LEU A 58 17.487 -6.248 1.766 1.00 0.00 N ATOM 893 CA LEU A 58 16.167 -6.782 2.018 1.00 0.00 C ATOM 894 C LEU A 58 15.349 -6.754 0.730 1.00 0.00 C ATOM 895 O LEU A 58 14.435 -7.556 0.544 1.00 0.00 O ATOM 896 CB LEU A 58 15.493 -5.988 3.137 1.00 0.00 C ATOM 897 CG LEU A 58 14.697 -4.829 2.554 1.00 0.00 C ATOM 898 CD1 LEU A 58 13.305 -5.329 2.191 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.591 -3.719 3.603 1.00 0.00 C ATOM 0 H LEU A 58 17.659 -5.321 2.155 1.00 0.00 H new ATOM 0 HA LEU A 58 16.240 -7.819 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.833 -6.640 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.246 -5.610 3.829 1.00 0.00 H new ATOM 0 HG LEU A 58 15.190 -4.438 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.722 -4.509 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.386 -6.130 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.809 -5.706 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.022 -2.884 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.085 -4.103 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.590 -3.378 3.875 1.00 0.00 H new ATOM 911 N VAL A 59 15.716 -5.848 -0.175 1.00 0.00 N ATOM 912 CA VAL A 59 15.040 -5.753 -1.463 1.00 0.00 C ATOM 913 C VAL A 59 15.259 -7.051 -2.230 1.00 0.00 C ATOM 914 O VAL A 59 14.339 -7.585 -2.849 1.00 0.00 O ATOM 915 CB VAL A 59 15.614 -4.579 -2.259 1.00 0.00 C ATOM 916 CG1 VAL A 59 15.000 -4.537 -3.653 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.305 -3.267 -1.534 1.00 0.00 C ATOM 0 H VAL A 59 16.471 -5.176 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 59 13.973 -5.590 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 59 16.693 -4.708 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.417 -3.697 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.224 -5.466 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.920 -4.418 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.715 -2.432 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.225 -3.148 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.755 -3.285 -0.541 1.00 0.00 H new ATOM 927 N GLU A 60 16.489 -7.561 -2.170 1.00 0.00 N ATOM 928 CA GLU A 60 16.824 -8.808 -2.847 1.00 0.00 C ATOM 929 C GLU A 60 16.094 -9.973 -2.192 1.00 0.00 C ATOM 930 O GLU A 60 15.675 -10.914 -2.865 1.00 0.00 O ATOM 931 CB GLU A 60 18.335 -9.047 -2.789 1.00 0.00 C ATOM 932 CG GLU A 60 19.046 -8.008 -3.656 1.00 0.00 C ATOM 933 CD GLU A 60 20.552 -8.245 -3.623 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.990 -9.030 -2.799 1.00 0.00 O ATOM 935 OE2 GLU A 60 21.244 -7.636 -4.423 1.00 0.00 O ATOM 0 H GLU A 60 17.263 -7.132 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 60 16.513 -8.734 -3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.686 -8.979 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.569 -10.052 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.682 -8.068 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.819 -7.005 -3.295 1.00 0.00 H new ATOM 942 N TYR A 61 15.932 -9.894 -0.875 1.00 0.00 N ATOM 943 CA TYR A 61 15.234 -10.942 -0.142 1.00 0.00 C ATOM 944 C TYR A 61 13.852 -11.157 -0.743 1.00 0.00 C ATOM 945 O TYR A 61 13.415 -12.290 -0.944 1.00 0.00 O ATOM 946 CB TYR A 61 15.099 -10.545 1.329 1.00 0.00 C ATOM 947 CG TYR A 61 14.344 -11.617 2.079 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.022 -12.736 2.578 1.00 0.00 C ATOM 949 CD2 TYR A 61 12.965 -11.487 2.278 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.319 -13.725 3.277 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.262 -12.477 2.976 1.00 0.00 C ATOM 952 CZ TYR A 61 12.939 -13.595 3.476 1.00 0.00 C ATOM 953 OH TYR A 61 12.245 -14.570 4.164 1.00 0.00 O ATOM 0 H TYR A 61 16.271 -9.123 -0.299 1.00 0.00 H new ATOM 0 HA TYR A 61 15.805 -11.868 -0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.086 -10.406 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.576 -9.592 1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.086 -12.836 2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.443 -10.623 1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.841 -14.588 3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.197 -12.378 3.128 1.00 0.00 H new ATOM 0 HH TYR A 61 11.298 -14.324 4.213 1.00 0.00 H new ATOM 963 N TYR A 62 13.177 -10.054 -1.036 1.00 0.00 N ATOM 964 CA TYR A 62 11.853 -10.105 -1.626 1.00 0.00 C ATOM 965 C TYR A 62 11.949 -10.093 -3.151 1.00 0.00 C ATOM 966 O TYR A 62 10.965 -9.813 -3.836 1.00 0.00 O ATOM 967 CB TYR A 62 11.044 -8.891 -1.163 1.00 0.00 C ATOM 968 CG TYR A 62 10.761 -8.964 0.321 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.129 -10.088 0.874 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.125 -7.892 1.146 1.00 0.00 C ATOM 971 CE1 TYR A 62 9.866 -10.136 2.250 1.00 0.00 C ATOM 972 CE2 TYR A 62 10.860 -7.940 2.520 1.00 0.00 C ATOM 973 CZ TYR A 62 10.231 -9.062 3.071 1.00 0.00 C ATOM 974 OH TYR A 62 9.968 -9.111 4.426 1.00 0.00 O ATOM 0 H TYR A 62 13.529 -9.111 -0.873 1.00 0.00 H new ATOM 0 HA TYR A 62 11.361 -11.025 -1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.593 -7.976 -1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.105 -8.843 -1.714 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.845 -10.915 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.611 -7.026 0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.382 -11.002 2.677 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.141 -7.112 3.154 1.00 0.00 H new ATOM 0 HH TYR A 62 10.286 -8.287 4.851 1.00 0.00 H new ATOM 984 N ARG A 63 13.140 -10.370 -3.683 1.00 0.00 N ATOM 985 CA ARG A 63 13.330 -10.353 -5.132 1.00 0.00 C ATOM 986 C ARG A 63 12.806 -9.035 -5.683 1.00 0.00 C ATOM 987 O ARG A 63 12.684 -8.846 -6.894 1.00 0.00 O ATOM 988 CB ARG A 63 12.580 -11.520 -5.783 1.00 0.00 C ATOM 989 CG ARG A 63 13.332 -12.827 -5.525 1.00 0.00 C ATOM 990 CD ARG A 63 14.434 -13.001 -6.574 1.00 0.00 C ATOM 991 NE ARG A 63 13.848 -13.241 -7.889 1.00 0.00 N ATOM 992 CZ ARG A 63 14.473 -13.984 -8.797 1.00 0.00 C ATOM 993 NH1 ARG A 63 15.634 -14.513 -8.520 1.00 0.00 N ATOM 994 NH2 ARG A 63 13.926 -14.186 -9.964 1.00 0.00 N ATOM 0 H ARG A 63 13.973 -10.605 -3.143 1.00 0.00 H new ATOM 0 HA ARG A 63 14.392 -10.455 -5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.570 -11.585 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.485 -11.350 -6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.766 -12.817 -4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.642 -13.670 -5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.060 -12.109 -6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 63 15.080 -13.835 -6.298 1.00 0.00 H new ATOM 0 HE ARG A 63 12.942 -12.831 -8.116 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.061 -14.356 -7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 63 16.114 -15.083 -9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.018 -13.774 -10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 63 14.406 -14.756 -10.660 1.00 0.00 H new ATOM 1008 N LEU A 64 12.487 -8.137 -4.761 1.00 0.00 N ATOM 1009 CA LEU A 64 11.954 -6.825 -5.098 1.00 0.00 C ATOM 1010 C LEU A 64 12.953 -6.024 -5.932 1.00 0.00 C ATOM 1011 O LEU A 64 13.448 -4.988 -5.500 1.00 0.00 O ATOM 1012 CB LEU A 64 11.639 -6.089 -3.788 1.00 0.00 C ATOM 1013 CG LEU A 64 10.615 -4.974 -3.999 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.211 -3.847 -4.836 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.386 -5.543 -4.696 1.00 0.00 C ATOM 0 H LEU A 64 12.590 -8.298 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 64 11.050 -6.938 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.258 -6.799 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.557 -5.668 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 64 10.331 -4.567 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.466 -3.064 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.081 -3.434 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.513 -4.236 -5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.654 -4.750 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.675 -5.959 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.948 -6.328 -4.079 1.00 0.00 H new ATOM 1027 N VAL A 65 13.232 -6.505 -7.134 1.00 0.00 N ATOM 1028 CA VAL A 65 14.171 -5.823 -8.016 1.00 0.00 C ATOM 1029 C VAL A 65 13.475 -4.717 -8.805 1.00 0.00 C ATOM 1030 O VAL A 65 14.098 -4.051 -9.631 1.00 0.00 O ATOM 1031 CB VAL A 65 14.778 -6.825 -8.994 1.00 0.00 C ATOM 1032 CG1 VAL A 65 16.085 -6.267 -9.559 1.00 0.00 C ATOM 1033 CG2 VAL A 65 15.061 -8.142 -8.268 1.00 0.00 C ATOM 0 H VAL A 65 12.826 -7.358 -7.520 1.00 0.00 H new ATOM 0 HA VAL A 65 14.953 -5.378 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 65 14.076 -7.001 -9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.516 -6.985 -10.257 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.886 -5.330 -10.079 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.786 -6.088 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 65 15.494 -8.857 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.760 -7.964 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 65 14.130 -8.544 -7.868 1.00 0.00 H new ATOM 1043 N VAL A 66 12.184 -4.532 -8.556 1.00 0.00 N ATOM 1044 CA VAL A 66 11.425 -3.511 -9.261 1.00 0.00 C ATOM 1045 C VAL A 66 10.968 -2.400 -8.318 1.00 0.00 C ATOM 1046 O VAL A 66 10.579 -2.655 -7.179 1.00 0.00 O ATOM 1047 CB VAL A 66 10.199 -4.146 -9.906 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.633 -5.089 -11.029 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.420 -4.932 -8.850 1.00 0.00 C ATOM 0 H VAL A 66 11.646 -5.071 -7.877 1.00 0.00 H new ATOM 0 HA VAL A 66 12.075 -3.074 -10.019 1.00 0.00 H new ATOM 0 HB VAL A 66 9.564 -3.364 -10.322 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.752 -5.540 -11.486 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.186 -4.528 -11.782 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.271 -5.873 -10.620 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.542 -5.387 -9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.057 -5.712 -8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.104 -4.258 -8.054 1.00 0.00 H new ATOM 1059 N THR A 67 10.999 -1.169 -8.818 1.00 0.00 N ATOM 1060 CA THR A 67 10.568 -0.019 -8.033 1.00 0.00 C ATOM 1061 C THR A 67 9.765 0.934 -8.917 1.00 0.00 C ATOM 1062 O THR A 67 10.015 1.029 -10.119 1.00 0.00 O ATOM 1063 CB THR A 67 11.780 0.713 -7.446 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.692 1.024 -8.490 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.470 -0.183 -6.415 1.00 0.00 C ATOM 0 H THR A 67 11.317 -0.943 -9.760 1.00 0.00 H new ATOM 0 HA THR A 67 9.941 -0.368 -7.212 1.00 0.00 H new ATOM 0 HB THR A 67 11.451 1.633 -6.962 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.467 1.494 -8.118 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.332 0.339 -5.998 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.770 -0.423 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.801 -1.103 -6.896 1.00 0.00 H new ATOM 1073 N PRO A 68 8.807 1.627 -8.358 1.00 0.00 N ATOM 1074 CA PRO A 68 8.467 1.546 -6.911 1.00 0.00 C ATOM 1075 C PRO A 68 7.698 0.273 -6.577 1.00 0.00 C ATOM 1076 O PRO A 68 7.210 -0.418 -7.472 1.00 0.00 O ATOM 1077 CB PRO A 68 7.595 2.783 -6.652 1.00 0.00 C ATOM 1078 CG PRO A 68 7.473 3.515 -7.956 1.00 0.00 C ATOM 1079 CD PRO A 68 7.935 2.567 -9.058 1.00 0.00 C ATOM 0 HA PRO A 68 9.363 1.520 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.613 2.491 -6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.047 3.421 -5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.443 3.827 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.082 4.419 -7.947 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.093 2.059 -9.529 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.468 3.098 -9.846 1.00 0.00 H new ATOM 1087 N ALA A 69 7.589 -0.032 -5.290 1.00 0.00 N ATOM 1088 CA ALA A 69 6.873 -1.224 -4.866 1.00 0.00 C ATOM 1089 C ALA A 69 6.253 -1.015 -3.487 1.00 0.00 C ATOM 1090 O ALA A 69 6.752 -0.224 -2.686 1.00 0.00 O ATOM 1091 CB ALA A 69 7.824 -2.413 -4.807 1.00 0.00 C ATOM 0 H ALA A 69 7.983 0.524 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 69 6.082 -1.420 -5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.277 -3.301 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.252 -2.586 -5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.623 -2.205 -4.096 1.00 0.00 H new ATOM 1097 N LEU A 70 5.167 -1.730 -3.216 1.00 0.00 N ATOM 1098 CA LEU A 70 4.490 -1.615 -1.932 1.00 0.00 C ATOM 1099 C LEU A 70 4.325 -2.992 -1.304 1.00 0.00 C ATOM 1100 O LEU A 70 3.894 -3.938 -1.964 1.00 0.00 O ATOM 1101 CB LEU A 70 3.123 -0.956 -2.124 1.00 0.00 C ATOM 1102 CG LEU A 70 2.632 -0.403 -0.788 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.520 0.619 -1.035 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.099 -1.546 0.080 1.00 0.00 C ATOM 0 H LEU A 70 4.739 -2.391 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 70 5.091 -0.996 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.194 -0.153 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.409 -1.682 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 70 3.460 0.082 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.170 1.013 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.905 1.435 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.692 0.137 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.750 -1.147 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.272 -2.037 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.895 -2.268 0.259 1.00 0.00 H new ATOM 1116 N VAL A 71 4.692 -3.110 -0.031 1.00 0.00 N ATOM 1117 CA VAL A 71 4.594 -4.393 0.651 1.00 0.00 C ATOM 1118 C VAL A 71 3.849 -4.289 1.978 1.00 0.00 C ATOM 1119 O VAL A 71 4.223 -3.513 2.856 1.00 0.00 O ATOM 1120 CB VAL A 71 5.998 -4.946 0.904 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.899 -6.308 1.598 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.736 -5.102 -0.431 1.00 0.00 C ATOM 0 H VAL A 71 5.054 -2.346 0.540 1.00 0.00 H new ATOM 0 HA VAL A 71 4.028 -5.063 0.004 1.00 0.00 H new ATOM 0 HB VAL A 71 6.548 -4.255 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.901 -6.699 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.379 -6.195 2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.347 -7.001 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.736 -5.496 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.186 -5.790 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.812 -4.131 -0.921 1.00 0.00 H new ATOM 1132 N LYS A 72 2.816 -5.115 2.124 1.00 0.00 N ATOM 1133 CA LYS A 72 2.044 -5.154 3.360 1.00 0.00 C ATOM 1134 C LYS A 72 2.614 -6.241 4.259 1.00 0.00 C ATOM 1135 O LYS A 72 2.747 -7.390 3.839 1.00 0.00 O ATOM 1136 CB LYS A 72 0.570 -5.444 3.064 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.236 -5.323 4.358 1.00 0.00 C ATOM 1138 CD LYS A 72 -0.787 -6.696 4.746 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.011 -7.014 3.888 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.122 -8.488 3.707 1.00 0.00 N ATOM 0 H LYS A 72 2.496 -5.763 1.404 1.00 0.00 H new ATOM 0 HA LYS A 72 2.109 -4.186 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.192 -4.744 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.461 -6.445 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.395 -4.934 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.054 -4.615 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.022 -7.460 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.057 -6.706 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.912 -6.627 4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.926 -6.523 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.905 -8.734 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.449 -8.967 4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.089 -8.794 3.936 1.00 0.00 H new ATOM 1154 N ILE A 73 2.973 -5.883 5.485 1.00 0.00 N ATOM 1155 CA ILE A 73 3.551 -6.865 6.395 1.00 0.00 C ATOM 1156 C ILE A 73 2.530 -7.408 7.393 1.00 0.00 C ATOM 1157 O ILE A 73 2.741 -8.478 7.965 1.00 0.00 O ATOM 1158 CB ILE A 73 4.749 -6.267 7.142 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.579 -4.749 7.280 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.036 -6.576 6.372 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.233 -4.044 6.086 1.00 0.00 C ATOM 0 H ILE A 73 2.878 -4.942 5.867 1.00 0.00 H new ATOM 0 HA ILE A 73 3.886 -7.703 5.784 1.00 0.00 H new ATOM 0 HB ILE A 73 4.806 -6.707 8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.520 -4.495 7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.032 -4.406 8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.888 -6.151 6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.161 -7.656 6.290 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.976 -6.141 5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.110 -2.966 6.188 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.295 -4.287 6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.759 -4.377 5.163 1.00 0.00 H new ATOM 1173 N GLY A 74 1.419 -6.703 7.599 1.00 0.00 N ATOM 1174 CA GLY A 74 0.413 -7.204 8.529 1.00 0.00 C ATOM 1175 C GLY A 74 -0.301 -6.083 9.280 1.00 0.00 C ATOM 1176 O GLY A 74 -0.111 -4.903 8.988 1.00 0.00 O ATOM 0 H GLY A 74 1.198 -5.814 7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.321 -7.795 7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.888 -7.873 9.247 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.128 -6.445 10.235 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.366 -7.870 10.597 1.00 0.00 C ATOM 1182 C PRO A 75 -2.007 -8.649 9.454 1.00 0.00 C ATOM 1183 O PRO A 75 -2.532 -8.063 8.507 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.287 -7.831 11.821 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.547 -6.393 12.145 1.00 0.00 C ATOM 1186 CD PRO A 75 -1.925 -5.525 11.050 1.00 0.00 C ATOM 0 HA PRO A 75 -0.428 -8.383 10.808 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.222 -8.352 11.614 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.821 -8.336 12.667 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.619 -6.208 12.211 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.120 -6.141 13.116 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.694 -5.035 10.452 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.303 -4.738 11.477 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.945 -9.972 9.542 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.505 -10.824 8.501 1.00 0.00 C ATOM 1196 C GLY A 76 -1.403 -11.325 7.574 1.00 0.00 C ATOM 1197 O GLY A 76 -0.220 -11.236 7.902 1.00 0.00 O ATOM 0 H GLY A 76 -1.515 -10.475 10.318 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.021 -11.671 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.247 -10.268 7.927 1.00 0.00 H new ATOM 1201 N SER A 77 -1.792 -11.858 6.420 1.00 0.00 N ATOM 1202 CA SER A 77 -0.817 -12.373 5.466 1.00 0.00 C ATOM 1203 C SER A 77 -0.020 -11.242 4.826 1.00 0.00 C ATOM 1204 O SER A 77 -0.450 -10.089 4.811 1.00 0.00 O ATOM 1205 CB SER A 77 -1.515 -13.182 4.377 1.00 0.00 C ATOM 1206 OG SER A 77 -0.657 -13.287 3.249 1.00 0.00 O ATOM 0 H SER A 77 -2.765 -11.944 6.125 1.00 0.00 H new ATOM 0 HA SER A 77 -0.129 -13.017 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.767 -14.174 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.451 -12.701 4.093 1.00 0.00 H new ATOM 0 HG SER A 77 -1.101 -13.807 2.547 1.00 0.00 H new ATOM 1212 N ARG A 78 1.146 -11.594 4.298 1.00 0.00 N ATOM 1213 CA ARG A 78 2.020 -10.621 3.648 1.00 0.00 C ATOM 1214 C ARG A 78 1.784 -10.599 2.140 1.00 0.00 C ATOM 1215 O ARG A 78 1.510 -11.632 1.530 1.00 0.00 O ATOM 1216 CB ARG A 78 3.485 -10.970 3.920 1.00 0.00 C ATOM 1217 CG ARG A 78 4.390 -9.991 3.169 1.00 0.00 C ATOM 1218 CD ARG A 78 5.853 -10.373 3.391 1.00 0.00 C ATOM 1219 NE ARG A 78 6.728 -9.501 2.614 1.00 0.00 N ATOM 1220 CZ ARG A 78 7.240 -9.891 1.448 1.00 0.00 C ATOM 1221 NH1 ARG A 78 7.140 -11.135 1.065 1.00 0.00 N ATOM 1222 NH2 ARG A 78 7.846 -9.026 0.682 1.00 0.00 N ATOM 0 H ARG A 78 1.510 -12.547 4.306 1.00 0.00 H new ATOM 0 HA ARG A 78 1.791 -9.637 4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.689 -10.923 4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.692 -11.991 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.157 -10.008 2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.212 -8.974 3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.099 -10.296 4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.013 -11.412 3.101 1.00 0.00 H new ATOM 0 HE ARG A 78 6.952 -8.573 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.667 -11.815 1.660 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.534 -11.427 0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.927 -8.053 0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.239 -9.323 -0.211 1.00 0.00 H new ATOM 1236 N GLN A 79 1.905 -9.417 1.544 1.00 0.00 N ATOM 1237 CA GLN A 79 1.718 -9.273 0.103 1.00 0.00 C ATOM 1238 C GLN A 79 2.693 -8.248 -0.464 1.00 0.00 C ATOM 1239 O GLN A 79 3.163 -7.364 0.252 1.00 0.00 O ATOM 1240 CB GLN A 79 0.287 -8.835 -0.211 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.686 -9.962 0.136 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.104 -9.545 -0.234 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.449 -8.369 -0.139 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.949 -10.442 -0.664 1.00 0.00 N ATOM 0 H GLN A 79 2.130 -8.550 2.032 1.00 0.00 H new ATOM 0 HA GLN A 79 1.907 -10.242 -0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.038 -7.939 0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.199 -8.578 -1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.412 -10.871 -0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.629 -10.190 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.661 -11.417 -0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.897 -10.168 -0.922 1.00 0.00 H new ATOM 1253 N VAL A 80 2.990 -8.370 -1.752 1.00 0.00 N ATOM 1254 CA VAL A 80 3.909 -7.443 -2.402 1.00 0.00 C ATOM 1255 C VAL A 80 3.293 -6.863 -3.669 1.00 0.00 C ATOM 1256 O VAL A 80 2.859 -7.600 -4.556 1.00 0.00 O ATOM 1257 CB VAL A 80 5.211 -8.165 -2.755 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.166 -7.191 -3.451 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.863 -8.692 -1.474 1.00 0.00 C ATOM 0 H VAL A 80 2.612 -9.094 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 80 4.115 -6.627 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 80 4.994 -8.998 -3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.093 -7.707 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.702 -6.815 -4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.384 -6.357 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.791 -9.207 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.079 -7.858 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.184 -9.387 -0.979 1.00 0.00 H new ATOM 1269 N LEU A 81 3.273 -5.538 -3.754 1.00 0.00 N ATOM 1270 CA LEU A 81 2.726 -4.864 -4.924 1.00 0.00 C ATOM 1271 C LEU A 81 3.827 -4.059 -5.601 1.00 0.00 C ATOM 1272 O LEU A 81 4.535 -3.302 -4.942 1.00 0.00 O ATOM 1273 CB LEU A 81 1.608 -3.914 -4.504 1.00 0.00 C ATOM 1274 CG LEU A 81 0.770 -4.554 -3.398 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.247 -3.535 -2.893 1.00 0.00 C ATOM 1276 CD2 LEU A 81 0.024 -5.774 -3.940 1.00 0.00 C ATOM 0 H LEU A 81 3.627 -4.912 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 81 2.329 -5.611 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.031 -2.973 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.977 -3.680 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 81 1.428 -4.868 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.850 -3.983 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.276 -2.663 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.895 -3.230 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.570 -6.221 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.634 -5.467 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.743 -6.505 -4.311 1.00 0.00 H new ATOM 1288 N SER A 82 3.981 -4.215 -6.908 1.00 0.00 N ATOM 1289 CA SER A 82 5.019 -3.471 -7.607 1.00 0.00 C ATOM 1290 C SER A 82 4.732 -3.347 -9.089 1.00 0.00 C ATOM 1291 O SER A 82 3.868 -4.032 -9.638 1.00 0.00 O ATOM 1292 CB SER A 82 6.373 -4.144 -7.416 1.00 0.00 C ATOM 1293 OG SER A 82 7.357 -3.438 -8.161 1.00 0.00 O ATOM 0 H SER A 82 3.418 -4.832 -7.493 1.00 0.00 H new ATOM 0 HA SER A 82 5.035 -2.469 -7.178 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.640 -4.157 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.326 -5.182 -7.745 1.00 0.00 H new ATOM 0 HG SER A 82 7.414 -2.515 -7.836 1.00 0.00 H new ATOM 1299 N GLY A 83 5.489 -2.469 -9.725 1.00 0.00 N ATOM 1300 CA GLY A 83 5.350 -2.244 -11.161 1.00 0.00 C ATOM 1301 C GLY A 83 4.327 -1.154 -11.465 1.00 0.00 C ATOM 1302 O GLY A 83 3.352 -1.387 -12.181 1.00 0.00 O ATOM 0 H GLY A 83 6.206 -1.900 -9.275 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.316 -1.964 -11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.049 -3.172 -11.647 1.00 0.00 H new ATOM 1306 N ILE A 84 4.567 0.034 -10.921 1.00 0.00 N ATOM 1307 CA ILE A 84 3.681 1.183 -11.127 1.00 0.00 C ATOM 1308 C ILE A 84 2.204 0.792 -11.063 1.00 0.00 C ATOM 1309 O ILE A 84 1.327 1.623 -11.296 1.00 0.00 O ATOM 1310 CB ILE A 84 3.990 1.839 -12.475 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.501 0.951 -13.624 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.500 2.030 -12.599 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.666 1.698 -14.950 1.00 0.00 C ATOM 0 H ILE A 84 5.374 0.231 -10.329 1.00 0.00 H new ATOM 0 HA ILE A 84 3.866 1.891 -10.319 1.00 0.00 H new ATOM 0 HB ILE A 84 3.480 2.801 -12.529 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.068 0.020 -13.645 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.455 0.684 -13.472 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.730 2.497 -13.557 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.854 2.669 -11.790 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.995 1.061 -12.539 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.319 1.068 -15.768 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.080 2.617 -14.925 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.717 1.942 -15.101 1.00 0.00 H new ATOM 1325 N ASP A 85 1.933 -0.464 -10.732 1.00 0.00 N ATOM 1326 CA ASP A 85 0.556 -0.936 -10.623 1.00 0.00 C ATOM 1327 C ASP A 85 0.147 -0.986 -9.156 1.00 0.00 C ATOM 1328 O ASP A 85 -0.899 -1.529 -8.802 1.00 0.00 O ATOM 1329 CB ASP A 85 0.431 -2.329 -11.244 1.00 0.00 C ATOM 1330 CG ASP A 85 1.266 -3.327 -10.449 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.662 -2.991 -9.345 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.498 -4.412 -10.956 1.00 0.00 O ATOM 0 H ASP A 85 2.642 -1.171 -10.535 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.101 -0.250 -11.157 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.613 -2.641 -11.253 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.766 -2.306 -12.281 1.00 0.00 H new ATOM 1337 N LEU A 86 1.004 -0.427 -8.314 1.00 0.00 N ATOM 1338 CA LEU A 86 0.777 -0.405 -6.877 1.00 0.00 C ATOM 1339 C LEU A 86 -0.625 0.086 -6.525 1.00 0.00 C ATOM 1340 O LEU A 86 -1.323 -0.535 -5.722 1.00 0.00 O ATOM 1341 CB LEU A 86 1.803 0.518 -6.222 1.00 0.00 C ATOM 1342 CG LEU A 86 3.221 0.050 -6.575 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.707 0.720 -7.870 1.00 0.00 C ATOM 1344 CD2 LEU A 86 4.164 0.419 -5.431 1.00 0.00 C ATOM 0 H LEU A 86 1.872 0.022 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 86 0.879 -1.426 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.653 1.543 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.668 0.517 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 86 3.211 -1.030 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.714 0.375 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.036 0.459 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.716 1.802 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.175 0.090 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.158 1.500 -5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.833 -0.069 -4.515 1.00 0.00 H new ATOM 1356 N THR A 87 -1.023 1.212 -7.107 1.00 0.00 N ATOM 1357 CA THR A 87 -2.335 1.783 -6.817 1.00 0.00 C ATOM 1358 C THR A 87 -3.463 0.891 -7.318 1.00 0.00 C ATOM 1359 O THR A 87 -4.490 0.753 -6.655 1.00 0.00 O ATOM 1360 CB THR A 87 -2.456 3.171 -7.452 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.334 3.055 -8.863 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.351 4.081 -6.914 1.00 0.00 C ATOM 0 H THR A 87 -0.464 1.743 -7.775 1.00 0.00 H new ATOM 0 HA THR A 87 -2.426 1.864 -5.734 1.00 0.00 H new ATOM 0 HB THR A 87 -3.427 3.601 -7.204 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.719 3.848 -9.291 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.440 5.068 -7.368 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.447 4.169 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.378 3.655 -7.159 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.276 0.282 -8.482 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.302 -0.590 -9.027 1.00 0.00 C ATOM 1372 C ASP A 88 -4.385 -1.864 -8.199 1.00 0.00 C ATOM 1373 O ASP A 88 -5.468 -2.296 -7.798 1.00 0.00 O ATOM 1374 CB ASP A 88 -3.966 -0.940 -10.476 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.040 0.309 -11.348 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.548 1.310 -10.872 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.584 0.246 -12.478 1.00 0.00 O ATOM 0 H ASP A 88 -2.438 0.374 -9.056 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.263 -0.076 -8.995 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.967 -1.373 -10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.661 -1.693 -10.847 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.225 -2.449 -7.932 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.161 -3.664 -7.136 1.00 0.00 C ATOM 1384 C GLN A 89 -3.594 -3.371 -5.703 1.00 0.00 C ATOM 1385 O GLN A 89 -4.372 -4.121 -5.114 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.730 -4.201 -7.149 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.751 -5.722 -6.993 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.323 -6.257 -6.951 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.102 -7.412 -6.585 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.666 -5.484 -7.316 1.00 0.00 N ATOM 0 H GLN A 89 -2.321 -2.103 -8.254 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.833 -4.411 -7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.237 -3.928 -8.082 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.154 -3.750 -6.340 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.279 -5.996 -6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.294 -6.174 -7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.481 -4.528 -7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.623 -5.837 -7.298 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.092 -2.271 -5.147 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.441 -1.892 -3.783 1.00 0.00 C ATOM 1401 C LEU A 90 -4.954 -1.782 -3.617 1.00 0.00 C ATOM 1402 O LEU A 90 -5.525 -2.326 -2.673 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.792 -0.553 -3.431 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.195 -0.147 -2.013 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.595 -1.132 -1.008 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.671 1.260 -1.722 1.00 0.00 C ATOM 0 H LEU A 90 -2.449 -1.633 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.072 -2.667 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.707 -0.633 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.104 0.212 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.281 -0.159 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.883 -0.842 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.966 -2.136 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.508 -1.122 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.957 1.553 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.585 1.269 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.098 1.963 -2.438 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.597 -1.073 -4.540 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.043 -0.901 -4.481 1.00 0.00 C ATOM 1420 C ALA A 91 -7.738 -2.256 -4.499 1.00 0.00 C ATOM 1421 O ALA A 91 -8.774 -2.442 -3.860 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.523 -0.061 -5.666 1.00 0.00 C ATOM 0 H ALA A 91 -5.144 -0.613 -5.330 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.292 -0.386 -3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.605 0.061 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.046 0.918 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.261 -0.563 -6.598 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.163 -3.199 -5.237 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.727 -4.536 -5.333 1.00 0.00 C ATOM 1430 C ASN A 92 -7.336 -5.382 -4.127 1.00 0.00 C ATOM 1431 O ASN A 92 -8.125 -6.188 -3.635 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.226 -5.210 -6.608 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.889 -4.581 -7.827 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -8.873 -3.852 -7.694 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -7.409 -4.821 -9.016 1.00 0.00 N ATOM 0 H ASN A 92 -6.308 -3.061 -5.776 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.813 -4.450 -5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.143 -5.109 -6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.445 -6.277 -6.575 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.849 -4.405 -9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.594 -5.425 -9.125 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.104 -5.201 -3.668 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.599 -5.958 -2.534 1.00 0.00 C ATOM 1444 C GLN A 93 -6.130 -5.412 -1.215 1.00 0.00 C ATOM 1445 O GLN A 93 -6.373 -6.166 -0.273 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.073 -5.904 -2.524 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.531 -6.648 -3.742 1.00 0.00 C ATOM 1448 CD GLN A 93 -3.947 -8.108 -3.671 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.525 -8.832 -2.769 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.762 -8.583 -4.565 1.00 0.00 N ATOM 0 H GLN A 93 -5.438 -4.537 -4.064 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.941 -6.988 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.735 -4.868 -2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.688 -6.354 -1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.911 -6.195 -4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.444 -6.570 -3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.109 -7.980 -5.311 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.055 -9.559 -4.521 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.290 -4.099 -1.149 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.771 -3.461 0.066 1.00 0.00 C ATOM 1461 C LEU A 94 -8.080 -4.095 0.555 1.00 0.00 C ATOM 1462 O LEU A 94 -8.133 -4.632 1.661 1.00 0.00 O ATOM 1463 CB LEU A 94 -6.943 -1.961 -0.185 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.888 -1.364 0.857 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.349 -1.649 2.261 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -7.981 0.148 0.647 1.00 0.00 C ATOM 0 H LEU A 94 -6.095 -3.458 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.035 -3.610 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.975 -1.462 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.340 -1.794 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.876 -1.811 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.024 -1.223 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.278 -2.726 2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.361 -1.201 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.654 0.578 1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.991 0.592 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.364 0.354 -0.353 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.125 -4.056 -0.236 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.437 -4.650 0.145 1.00 0.00 C ATOM 1480 C PRO A 95 -10.290 -6.080 0.664 1.00 0.00 C ATOM 1481 O PRO A 95 -10.932 -6.467 1.640 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.253 -4.657 -1.157 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.375 -4.094 -2.234 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.177 -3.433 -1.558 1.00 0.00 C ATOM 0 HA PRO A 95 -10.906 -4.081 0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.568 -5.670 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.158 -4.060 -1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.045 -4.883 -2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.924 -3.368 -2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.258 -3.607 -2.117 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.306 -2.353 -1.485 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.448 -6.858 -0.007 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.229 -8.246 0.378 1.00 0.00 C ATOM 1494 C GLN A 96 -8.654 -8.338 1.786 1.00 0.00 C ATOM 1495 O GLN A 96 -8.964 -9.266 2.534 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.279 -8.911 -0.616 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.928 -8.913 -2.001 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.991 -9.545 -3.023 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.770 -9.477 -2.874 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.492 -10.165 -4.057 1.00 0.00 N ATOM 0 H GLN A 96 -8.908 -6.552 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.189 -8.762 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.330 -8.375 -0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.059 -9.931 -0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.868 -9.465 -1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.168 -7.892 -2.299 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.503 -10.220 -4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.872 -10.595 -4.744 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.818 -7.372 2.143 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.210 -7.359 3.469 1.00 0.00 C ATOM 1511 C TRP A 97 -8.285 -7.186 4.537 1.00 0.00 C ATOM 1512 O TRP A 97 -8.174 -7.716 5.641 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.208 -6.210 3.580 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.224 -6.279 2.456 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.028 -7.347 1.648 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.305 -5.246 1.999 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.042 -7.036 0.727 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.567 -5.751 0.902 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -4.044 -3.932 2.426 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.601 -4.980 0.255 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -3.075 -3.153 1.776 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.353 -3.676 0.692 1.00 0.00 C ATOM 0 H TRP A 97 -7.547 -6.594 1.541 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.694 -8.307 3.620 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.733 -5.255 3.556 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.686 -6.263 4.535 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.555 -8.288 1.711 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.708 -7.677 0.008 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.593 -3.520 3.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.048 -5.388 -0.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.883 -2.145 2.112 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.607 -3.072 0.197 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.323 -6.433 4.196 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.418 -6.184 5.121 1.00 0.00 C ATOM 1535 C LEU A 98 -11.465 -7.288 5.021 1.00 0.00 C ATOM 1536 O LEU A 98 -12.356 -7.393 5.863 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.055 -4.840 4.785 1.00 0.00 C ATOM 1538 CG LEU A 98 -9.969 -3.766 4.745 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -10.615 -2.386 4.617 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.147 -3.834 6.032 1.00 0.00 C ATOM 0 H LEU A 98 -9.428 -5.985 3.286 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.029 -6.169 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.564 -4.896 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.809 -4.585 5.530 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.318 -3.936 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.838 -1.622 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.201 -2.342 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.267 -2.209 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.370 -3.069 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.798 -3.663 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.685 -4.818 6.117 1.00 0.00 H new