USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 398 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 13 HIS : no HD1:sc= -2.65 X(o=-2.6,f=-3.1) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 4:sc= 1.68 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.673 X(o=-0.67,f=-0.74) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0296 K(o=-0.03,f=-1.7!) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 159:sc= 0.0722 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.3) USER MOD Single : A 57 ASN : amide:sc= -5.02! C(o=-5!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 8 -1.407 -3.328 18.385 1.00 0.00 N ATOM 98 CA LEU A 8 -0.043 -3.652 18.891 1.00 0.00 C ATOM 99 C LEU A 8 -0.134 -4.626 20.070 1.00 0.00 C ATOM 100 O LEU A 8 -1.007 -4.519 20.908 1.00 0.00 O ATOM 101 CB LEU A 8 0.539 -2.313 19.347 1.00 0.00 C ATOM 102 CG LEU A 8 0.386 -1.283 18.227 1.00 0.00 C ATOM 103 CD1 LEU A 8 1.067 0.024 18.640 1.00 0.00 C ATOM 104 CD2 LEU A 8 1.037 -1.816 16.950 1.00 0.00 C ATOM 0 HA LEU A 8 0.577 -4.129 18.131 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.026 -1.968 20.245 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.591 -2.431 19.606 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.673 -1.100 18.045 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.958 0.759 17.842 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.602 0.405 19.550 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.126 -0.159 18.823 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.928 -1.082 16.152 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.096 -2.000 17.131 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.552 -2.747 16.655 1.00 0.00 H new ATOM 116 N VAL A 9 0.760 -5.574 20.141 1.00 0.00 N ATOM 117 CA VAL A 9 0.720 -6.552 21.266 1.00 0.00 C ATOM 118 C VAL A 9 2.129 -7.062 21.578 1.00 0.00 C ATOM 119 O VAL A 9 3.068 -6.810 20.849 1.00 0.00 O ATOM 120 CB VAL A 9 -0.165 -7.696 20.771 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.620 -7.227 20.719 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.284 -8.124 19.371 1.00 0.00 C ATOM 0 H VAL A 9 1.515 -5.714 19.470 1.00 0.00 H new ATOM 0 HA VAL A 9 0.334 -6.106 22.182 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.079 -8.542 21.453 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.252 -8.042 20.366 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.941 -6.924 21.716 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.705 -6.380 20.038 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.348 -8.940 19.020 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.199 -7.279 18.688 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.321 -8.458 19.408 1.00 0.00 H new ATOM 132 N ILE A 10 2.282 -7.780 22.658 1.00 0.00 N ATOM 133 CA ILE A 10 3.628 -8.309 23.019 1.00 0.00 C ATOM 134 C ILE A 10 3.630 -9.837 22.941 1.00 0.00 C ATOM 135 O ILE A 10 2.659 -10.485 23.276 1.00 0.00 O ATOM 136 CB ILE A 10 3.860 -7.849 24.459 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.491 -6.370 24.588 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.334 -8.040 24.823 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.234 -5.563 23.522 1.00 0.00 C ATOM 0 H ILE A 10 1.533 -8.023 23.306 1.00 0.00 H new ATOM 0 HA ILE A 10 4.407 -7.953 22.345 1.00 0.00 H new ATOM 0 HB ILE A 10 3.239 -8.438 25.133 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.415 -6.241 24.472 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.750 -6.005 25.582 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.501 -7.712 25.849 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.598 -9.094 24.731 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.955 -7.450 24.149 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.971 -4.509 23.614 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.309 -5.682 23.659 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.953 -5.922 22.532 1.00 0.00 H new ATOM 151 N ALA A 11 4.713 -10.421 22.504 1.00 0.00 N ATOM 152 CA ALA A 11 4.768 -11.906 22.411 1.00 0.00 C ATOM 153 C ALA A 11 5.044 -12.510 23.789 1.00 0.00 C ATOM 154 O ALA A 11 6.123 -12.381 24.328 1.00 0.00 O ATOM 155 CB ALA A 11 5.927 -12.197 21.456 1.00 0.00 C ATOM 0 H ALA A 11 5.559 -9.935 22.208 1.00 0.00 H new ATOM 0 HA ALA A 11 3.830 -12.335 22.058 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.035 -13.275 21.333 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.724 -11.740 20.488 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.849 -11.784 21.866 1.00 0.00 H new ATOM 161 N LEU A 12 4.080 -13.178 24.363 1.00 0.00 N ATOM 162 CA LEU A 12 4.303 -13.793 25.703 1.00 0.00 C ATOM 163 C LEU A 12 5.391 -14.862 25.600 1.00 0.00 C ATOM 164 O LEU A 12 6.057 -15.185 26.564 1.00 0.00 O ATOM 165 CB LEU A 12 2.962 -14.423 26.084 1.00 0.00 C ATOM 166 CG LEU A 12 3.094 -15.118 27.440 1.00 0.00 C ATOM 167 CD1 LEU A 12 3.034 -14.075 28.557 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.948 -16.117 27.615 1.00 0.00 C ATOM 0 H LEU A 12 3.152 -13.324 23.965 1.00 0.00 H new ATOM 0 HA LEU A 12 4.630 -13.067 26.448 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.188 -13.657 26.129 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.656 -15.141 25.323 1.00 0.00 H new ATOM 0 HG LEU A 12 4.047 -15.645 27.486 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.128 -14.571 29.523 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.850 -13.363 28.434 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.081 -13.547 28.511 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.042 -16.613 28.581 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.995 -15.590 27.569 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.990 -16.861 26.820 1.00 0.00 H new ATOM 180 N HIS A 13 5.574 -15.410 24.432 1.00 0.00 N ATOM 181 CA HIS A 13 6.618 -16.457 24.247 1.00 0.00 C ATOM 182 C HIS A 13 7.038 -16.517 22.776 1.00 0.00 C ATOM 183 O HIS A 13 6.315 -16.090 21.900 1.00 0.00 O ATOM 184 CB HIS A 13 5.943 -17.762 24.667 1.00 0.00 C ATOM 185 CG HIS A 13 5.936 -17.861 26.168 1.00 0.00 C ATOM 186 ND1 HIS A 13 7.083 -17.681 26.925 1.00 0.00 N ATOM 187 CD2 HIS A 13 4.931 -18.118 27.065 1.00 0.00 C ATOM 188 CE1 HIS A 13 6.742 -17.830 28.218 1.00 0.00 C ATOM 189 NE2 HIS A 13 5.442 -18.098 28.360 1.00 0.00 N ATOM 0 H HIS A 13 5.043 -15.177 23.593 1.00 0.00 H new ATOM 0 HA HIS A 13 7.518 -16.259 24.829 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.923 -17.796 24.285 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.473 -18.613 24.238 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.900 -18.307 26.806 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.436 -17.743 29.041 1.00 0.00 H new ATOM 0 HE2 HIS A 13 4.933 -18.254 29.230 1.00 0.00 H new ATOM 197 N SER A 14 8.199 -17.041 22.496 1.00 0.00 N ATOM 198 CA SER A 14 8.653 -17.121 21.078 1.00 0.00 C ATOM 199 C SER A 14 7.776 -18.103 20.298 1.00 0.00 C ATOM 200 O SER A 14 7.374 -19.129 20.811 1.00 0.00 O ATOM 201 CB SER A 14 10.094 -17.629 21.151 1.00 0.00 C ATOM 202 OG SER A 14 10.090 -19.028 21.390 1.00 0.00 O ATOM 0 H SER A 14 8.851 -17.416 23.184 1.00 0.00 H new ATOM 0 HA SER A 14 8.586 -16.160 20.567 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.616 -17.410 20.220 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.633 -17.115 21.947 1.00 0.00 H new ATOM 0 HG SER A 14 11.013 -19.355 21.435 1.00 0.00 H new ATOM 208 N TYR A 15 7.474 -17.802 19.064 1.00 0.00 N ATOM 209 CA TYR A 15 6.624 -18.729 18.264 1.00 0.00 C ATOM 210 C TYR A 15 7.497 -19.620 17.378 1.00 0.00 C ATOM 211 O TYR A 15 8.627 -19.295 17.074 1.00 0.00 O ATOM 212 CB TYR A 15 5.737 -17.825 17.408 1.00 0.00 C ATOM 213 CG TYR A 15 4.849 -18.682 16.538 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.646 -19.180 17.047 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.233 -18.984 15.224 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.822 -19.978 16.245 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.409 -19.783 14.421 1.00 0.00 C ATOM 218 CZ TYR A 15 3.204 -20.281 14.932 1.00 0.00 C ATOM 219 OH TYR A 15 2.394 -21.070 14.142 1.00 0.00 O ATOM 0 H TYR A 15 7.777 -16.959 18.577 1.00 0.00 H new ATOM 0 HA TYR A 15 6.035 -19.392 18.897 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.130 -17.181 18.045 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.352 -17.172 16.789 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.352 -18.949 18.060 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.163 -18.601 14.831 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.892 -20.360 16.639 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.703 -20.015 13.408 1.00 0.00 H new ATOM 0 HH TYR A 15 1.569 -21.280 14.627 1.00 0.00 H new ATOM 229 N GLU A 16 6.979 -20.742 16.958 1.00 0.00 N ATOM 230 CA GLU A 16 7.776 -21.655 16.090 1.00 0.00 C ATOM 231 C GLU A 16 7.203 -21.663 14.671 1.00 0.00 C ATOM 232 O GLU A 16 6.026 -21.890 14.478 1.00 0.00 O ATOM 233 CB GLU A 16 7.640 -23.035 16.732 1.00 0.00 C ATOM 234 CG GLU A 16 9.030 -23.599 17.029 1.00 0.00 C ATOM 235 CD GLU A 16 8.945 -25.121 17.165 1.00 0.00 C ATOM 236 OE1 GLU A 16 7.848 -25.645 17.056 1.00 0.00 O ATOM 237 OE2 GLU A 16 9.977 -25.736 17.375 1.00 0.00 O ATOM 0 H GLU A 16 6.037 -21.066 17.179 1.00 0.00 H new ATOM 0 HA GLU A 16 8.818 -21.346 16.012 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.060 -22.964 17.652 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.098 -23.706 16.065 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.721 -23.333 16.229 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.423 -23.163 17.947 1.00 0.00 H new ATOM 244 N PRO A 17 8.062 -21.410 13.722 1.00 0.00 N ATOM 245 CA PRO A 17 7.595 -21.394 12.313 1.00 0.00 C ATOM 246 C PRO A 17 7.550 -22.817 11.750 1.00 0.00 C ATOM 247 O PRO A 17 8.451 -23.250 11.057 1.00 0.00 O ATOM 248 CB PRO A 17 8.641 -20.558 11.584 1.00 0.00 C ATOM 249 CG PRO A 17 9.876 -20.683 12.412 1.00 0.00 C ATOM 250 CD PRO A 17 9.431 -20.884 13.837 1.00 0.00 C ATOM 0 HA PRO A 17 6.589 -20.988 12.206 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.805 -20.926 10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.326 -19.518 11.498 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.483 -21.523 12.075 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.493 -19.789 12.323 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.082 -21.583 14.362 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.452 -19.948 14.395 1.00 0.00 H new ATOM 258 N SER A 18 6.509 -23.548 12.041 1.00 0.00 N ATOM 259 CA SER A 18 6.409 -24.942 11.521 1.00 0.00 C ATOM 260 C SER A 18 5.940 -24.927 10.065 1.00 0.00 C ATOM 261 O SER A 18 5.808 -25.958 9.433 1.00 0.00 O ATOM 262 CB SER A 18 5.371 -25.621 12.414 1.00 0.00 C ATOM 263 OG SER A 18 4.077 -25.139 12.086 1.00 0.00 O ATOM 0 H SER A 18 5.724 -23.241 12.616 1.00 0.00 H new ATOM 0 HA SER A 18 7.366 -25.463 11.541 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.413 -26.702 12.281 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.591 -25.420 13.463 1.00 0.00 H new ATOM 0 HG SER A 18 3.411 -25.575 12.657 1.00 0.00 H new ATOM 269 N HIS A 19 5.687 -23.766 9.524 1.00 0.00 N ATOM 270 CA HIS A 19 5.228 -23.685 8.108 1.00 0.00 C ATOM 271 C HIS A 19 5.842 -22.460 7.424 1.00 0.00 C ATOM 272 O HIS A 19 6.433 -21.612 8.063 1.00 0.00 O ATOM 273 CB HIS A 19 3.708 -23.545 8.192 1.00 0.00 C ATOM 274 CG HIS A 19 3.125 -23.567 6.804 1.00 0.00 C ATOM 275 ND1 HIS A 19 3.236 -24.670 5.973 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.425 -22.627 6.089 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.617 -24.370 4.817 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.105 -23.136 4.834 1.00 0.00 N ATOM 0 H HIS A 19 5.778 -22.870 10.002 1.00 0.00 H new ATOM 0 HA HIS A 19 5.526 -24.557 7.526 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.290 -24.357 8.787 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.445 -22.614 8.694 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.163 -21.642 6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.543 -25.045 3.977 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.591 -22.668 4.088 1.00 0.00 H new ATOM 286 N ASP A 20 5.709 -22.363 6.130 1.00 0.00 N ATOM 287 CA ASP A 20 6.287 -21.194 5.408 1.00 0.00 C ATOM 288 C ASP A 20 5.321 -20.007 5.464 1.00 0.00 C ATOM 289 O ASP A 20 4.147 -20.135 5.176 1.00 0.00 O ATOM 290 CB ASP A 20 6.467 -21.670 3.966 1.00 0.00 C ATOM 291 CG ASP A 20 7.149 -20.573 3.146 1.00 0.00 C ATOM 292 OD1 ASP A 20 7.545 -19.581 3.736 1.00 0.00 O ATOM 293 OD2 ASP A 20 7.263 -20.743 1.943 1.00 0.00 O ATOM 0 H ASP A 20 5.226 -23.042 5.542 1.00 0.00 H new ATOM 0 HA ASP A 20 7.227 -20.860 5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.066 -22.580 3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.499 -21.916 3.530 1.00 0.00 H new ATOM 298 N GLY A 21 5.805 -18.851 5.832 1.00 0.00 N ATOM 299 CA GLY A 21 4.914 -17.660 5.905 1.00 0.00 C ATOM 300 C GLY A 21 4.527 -17.396 7.362 1.00 0.00 C ATOM 301 O GLY A 21 3.745 -16.513 7.655 1.00 0.00 O ATOM 0 H GLY A 21 6.778 -18.681 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.420 -16.789 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.019 -17.825 5.305 1.00 0.00 H new ATOM 305 N ASP A 22 5.067 -18.152 8.279 1.00 0.00 N ATOM 306 CA ASP A 22 4.727 -17.939 9.715 1.00 0.00 C ATOM 307 C ASP A 22 5.819 -17.115 10.401 1.00 0.00 C ATOM 308 O ASP A 22 6.929 -17.013 9.918 1.00 0.00 O ATOM 309 CB ASP A 22 4.655 -19.341 10.319 1.00 0.00 C ATOM 310 CG ASP A 22 3.359 -20.021 9.876 1.00 0.00 C ATOM 311 OD1 ASP A 22 2.734 -19.519 8.955 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.011 -21.032 10.465 1.00 0.00 O ATOM 0 H ASP A 22 5.728 -18.907 8.096 1.00 0.00 H new ATOM 0 HA ASP A 22 3.792 -17.393 9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.515 -19.930 10.000 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.694 -19.282 11.407 1.00 0.00 H new ATOM 317 N LEU A 23 5.512 -16.527 11.525 1.00 0.00 N ATOM 318 CA LEU A 23 6.534 -15.712 12.242 1.00 0.00 C ATOM 319 C LEU A 23 6.878 -16.361 13.586 1.00 0.00 C ATOM 320 O LEU A 23 6.028 -16.542 14.434 1.00 0.00 O ATOM 321 CB LEU A 23 5.873 -14.350 12.456 1.00 0.00 C ATOM 322 CG LEU A 23 6.906 -13.363 13.000 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.064 -13.239 12.008 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.252 -11.993 13.193 1.00 0.00 C ATOM 0 H LEU A 23 4.599 -16.575 11.977 1.00 0.00 H new ATOM 0 HA LEU A 23 7.466 -15.629 11.682 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.462 -13.982 11.516 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.041 -14.443 13.153 1.00 0.00 H new ATOM 0 HG LEU A 23 7.283 -13.723 13.957 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.801 -12.535 12.395 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.531 -14.214 11.870 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.686 -12.879 11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.989 -11.290 13.581 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.874 -11.632 12.236 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.427 -12.080 13.899 1.00 0.00 H new ATOM 336 N GLY A 24 8.120 -16.714 13.783 1.00 0.00 N ATOM 337 CA GLY A 24 8.519 -17.353 15.070 1.00 0.00 C ATOM 338 C GLY A 24 9.189 -16.315 15.971 1.00 0.00 C ATOM 339 O GLY A 24 10.265 -16.533 16.492 1.00 0.00 O ATOM 0 H GLY A 24 8.875 -16.588 13.109 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.644 -17.770 15.567 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.203 -18.181 14.880 1.00 0.00 H new ATOM 343 N PHE A 25 8.566 -15.184 16.158 1.00 0.00 N ATOM 344 CA PHE A 25 9.164 -14.123 17.020 1.00 0.00 C ATOM 345 C PHE A 25 9.587 -14.689 18.378 1.00 0.00 C ATOM 346 O PHE A 25 9.369 -15.845 18.680 1.00 0.00 O ATOM 347 CB PHE A 25 8.042 -13.099 17.201 1.00 0.00 C ATOM 348 CG PHE A 25 6.825 -13.781 17.788 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.669 -13.861 19.178 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.853 -14.335 16.944 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.542 -14.492 19.721 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.727 -14.967 17.489 1.00 0.00 C ATOM 353 CZ PHE A 25 4.573 -15.044 18.877 1.00 0.00 C ATOM 0 H PHE A 25 7.662 -14.947 15.748 1.00 0.00 H new ATOM 0 HA PHE A 25 10.060 -13.693 16.573 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.373 -12.294 17.857 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.791 -12.646 16.242 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.417 -13.436 19.831 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.972 -14.275 15.872 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.421 -14.552 20.793 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.979 -15.394 16.838 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.705 -15.530 19.297 1.00 0.00 H new ATOM 363 N GLU A 26 10.194 -13.871 19.198 1.00 0.00 N ATOM 364 CA GLU A 26 10.638 -14.342 20.541 1.00 0.00 C ATOM 365 C GLU A 26 9.745 -13.746 21.634 1.00 0.00 C ATOM 366 O GLU A 26 8.895 -12.914 21.373 1.00 0.00 O ATOM 367 CB GLU A 26 12.072 -13.832 20.683 1.00 0.00 C ATOM 368 CG GLU A 26 12.893 -14.272 19.469 1.00 0.00 C ATOM 369 CD GLU A 26 14.288 -13.649 19.544 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.478 -12.765 20.363 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.143 -14.066 18.779 1.00 0.00 O ATOM 0 H GLU A 26 10.401 -12.894 18.993 1.00 0.00 H new ATOM 0 HA GLU A 26 10.578 -15.426 20.640 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.076 -12.745 20.764 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.519 -14.221 21.598 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.969 -15.359 19.443 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.395 -13.965 18.549 1.00 0.00 H new ATOM 378 N LYS A 27 9.933 -14.157 22.858 1.00 0.00 N ATOM 379 CA LYS A 27 9.095 -13.613 23.963 1.00 0.00 C ATOM 380 C LYS A 27 9.422 -12.139 24.204 1.00 0.00 C ATOM 381 O LYS A 27 10.567 -11.732 24.173 1.00 0.00 O ATOM 382 CB LYS A 27 9.465 -14.451 25.188 1.00 0.00 C ATOM 383 CG LYS A 27 10.916 -14.166 25.583 1.00 0.00 C ATOM 384 CD LYS A 27 11.419 -15.273 26.512 1.00 0.00 C ATOM 385 CE LYS A 27 12.763 -14.860 27.115 1.00 0.00 C ATOM 386 NZ LYS A 27 12.416 -14.194 28.403 1.00 0.00 N ATOM 0 H LYS A 27 10.630 -14.846 23.140 1.00 0.00 H new ATOM 0 HA LYS A 27 8.030 -13.666 23.736 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.798 -14.216 26.018 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.338 -15.511 24.968 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.542 -14.111 24.693 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.985 -13.199 26.081 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.693 -15.455 27.305 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.528 -16.206 25.959 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.406 -15.725 27.278 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.302 -14.183 26.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.287 -13.881 28.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.809 -13.371 28.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.910 -14.865 29.015 1.00 0.00 H new ATOM 400 N GLY A 28 8.424 -11.337 24.451 1.00 0.00 N ATOM 401 CA GLY A 28 8.674 -9.892 24.701 1.00 0.00 C ATOM 402 C GLY A 28 8.744 -9.142 23.370 1.00 0.00 C ATOM 403 O GLY A 28 8.704 -7.928 23.332 1.00 0.00 O ATOM 0 H GLY A 28 7.445 -11.621 24.490 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.879 -9.478 25.321 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.607 -9.764 25.251 1.00 0.00 H new ATOM 407 N GLU A 29 8.851 -9.846 22.276 1.00 0.00 N ATOM 408 CA GLU A 29 8.927 -9.149 20.959 1.00 0.00 C ATOM 409 C GLU A 29 7.593 -8.470 20.641 1.00 0.00 C ATOM 410 O GLU A 29 6.551 -9.095 20.641 1.00 0.00 O ATOM 411 CB GLU A 29 9.229 -10.247 19.939 1.00 0.00 C ATOM 412 CG GLU A 29 10.740 -10.473 19.866 1.00 0.00 C ATOM 413 CD GLU A 29 11.441 -9.149 19.550 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.946 -8.428 18.700 1.00 0.00 O ATOM 415 OE2 GLU A 29 12.459 -8.880 20.165 1.00 0.00 O ATOM 0 H GLU A 29 8.889 -10.865 22.236 1.00 0.00 H new ATOM 0 HA GLU A 29 9.689 -8.370 20.951 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.726 -11.171 20.223 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.845 -9.964 18.959 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.105 -10.873 20.812 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.971 -11.211 19.098 1.00 0.00 H new ATOM 422 N GLN A 30 7.617 -7.195 20.365 1.00 0.00 N ATOM 423 CA GLN A 30 6.349 -6.479 20.042 1.00 0.00 C ATOM 424 C GLN A 30 5.958 -6.755 18.591 1.00 0.00 C ATOM 425 O GLN A 30 6.792 -6.778 17.706 1.00 0.00 O ATOM 426 CB GLN A 30 6.666 -4.997 20.244 1.00 0.00 C ATOM 427 CG GLN A 30 7.230 -4.783 21.651 1.00 0.00 C ATOM 428 CD GLN A 30 7.760 -3.354 21.778 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.172 -2.757 20.803 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.769 -2.777 22.948 1.00 0.00 N ATOM 0 H GLN A 30 8.458 -6.618 20.349 1.00 0.00 H new ATOM 0 HA GLN A 30 5.516 -6.800 20.667 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.386 -4.663 19.497 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.765 -4.399 20.107 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.455 -4.962 22.396 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.030 -5.497 21.846 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.423 -3.278 23.766 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.122 -1.825 23.044 1.00 0.00 H new ATOM 439 N LEU A 31 4.698 -6.975 18.334 1.00 0.00 N ATOM 440 CA LEU A 31 4.264 -7.262 16.938 1.00 0.00 C ATOM 441 C LEU A 31 2.986 -6.490 16.601 1.00 0.00 C ATOM 442 O LEU A 31 2.224 -6.116 17.471 1.00 0.00 O ATOM 443 CB LEU A 31 3.999 -8.767 16.910 1.00 0.00 C ATOM 444 CG LEU A 31 5.317 -9.520 16.715 1.00 0.00 C ATOM 445 CD1 LEU A 31 6.120 -9.494 18.017 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.023 -10.970 16.331 1.00 0.00 C ATOM 0 H LEU A 31 3.951 -6.968 19.029 1.00 0.00 H new ATOM 0 HA LEU A 31 5.014 -6.961 16.207 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.525 -9.080 17.840 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.308 -9.009 16.103 1.00 0.00 H new ATOM 0 HG LEU A 31 5.893 -9.041 15.923 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.058 -10.031 17.877 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.331 -8.461 18.294 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.544 -9.972 18.809 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.961 -11.507 16.192 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.446 -11.447 17.124 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.451 -10.992 15.403 1.00 0.00 H new ATOM 458 N ARG A 32 2.743 -6.260 15.340 1.00 0.00 N ATOM 459 CA ARG A 32 1.508 -5.524 14.936 1.00 0.00 C ATOM 460 C ARG A 32 0.486 -6.515 14.378 1.00 0.00 C ATOM 461 O ARG A 32 0.808 -7.337 13.548 1.00 0.00 O ATOM 462 CB ARG A 32 1.954 -4.546 13.845 1.00 0.00 C ATOM 463 CG ARG A 32 3.312 -3.941 14.211 1.00 0.00 C ATOM 464 CD ARG A 32 3.529 -2.655 13.413 1.00 0.00 C ATOM 465 NE ARG A 32 3.652 -3.103 11.996 1.00 0.00 N ATOM 466 CZ ARG A 32 3.025 -2.456 11.051 1.00 0.00 C ATOM 467 NH1 ARG A 32 1.731 -2.297 11.116 1.00 0.00 N ATOM 468 NH2 ARG A 32 3.692 -1.970 10.041 1.00 0.00 N ATOM 0 H ARG A 32 3.346 -6.550 14.570 1.00 0.00 H new ATOM 0 HA ARG A 32 1.042 -5.003 15.772 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.022 -5.062 12.887 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.213 -3.755 13.729 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.352 -3.730 15.280 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.109 -4.653 13.997 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.694 -1.966 13.539 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.427 -2.132 13.742 1.00 0.00 H new ATOM 0 HE ARG A 32 4.226 -3.914 11.765 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.209 -2.678 11.905 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.242 -1.791 10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.703 -2.095 9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.203 -1.464 9.302 1.00 0.00 H new ATOM 482 N ILE A 33 -0.737 -6.454 14.826 1.00 0.00 N ATOM 483 CA ILE A 33 -1.763 -7.410 14.314 1.00 0.00 C ATOM 484 C ILE A 33 -2.449 -6.849 13.065 1.00 0.00 C ATOM 485 O ILE A 33 -3.408 -6.108 13.150 1.00 0.00 O ATOM 486 CB ILE A 33 -2.766 -7.561 15.458 1.00 0.00 C ATOM 487 CG1 ILE A 33 -2.067 -8.176 16.673 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.913 -8.471 15.015 1.00 0.00 C ATOM 489 CD1 ILE A 33 -3.016 -8.156 17.872 1.00 0.00 C ATOM 0 H ILE A 33 -1.071 -5.787 15.522 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.325 -8.365 14.024 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.162 -6.581 15.724 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.764 -9.200 16.452 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.160 -7.618 16.905 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.628 -8.579 15.831 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.412 -8.033 14.151 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.518 -9.451 14.748 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.518 -8.594 18.737 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.296 -7.127 18.097 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.911 -8.733 17.638 1.00 0.00 H new ATOM 501 N LEU A 34 -1.956 -7.191 11.906 1.00 0.00 N ATOM 502 CA LEU A 34 -2.567 -6.671 10.648 1.00 0.00 C ATOM 503 C LEU A 34 -3.834 -7.456 10.292 1.00 0.00 C ATOM 504 O LEU A 34 -4.760 -6.920 9.714 1.00 0.00 O ATOM 505 CB LEU A 34 -1.494 -6.872 9.578 1.00 0.00 C ATOM 506 CG LEU A 34 -0.228 -6.109 9.977 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.884 -7.105 10.309 1.00 0.00 C ATOM 508 CD2 LEU A 34 0.216 -5.217 8.815 1.00 0.00 C ATOM 0 H LEU A 34 -1.155 -7.809 11.775 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.866 -5.627 10.742 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.272 -7.933 9.465 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.856 -6.518 8.613 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.435 -5.492 10.851 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.786 -6.562 10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.568 -7.741 11.136 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.092 -7.722 9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.117 -4.673 9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.424 -5.834 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.577 -4.507 8.578 1.00 0.00 H new ATOM 520 N GLU A 35 -3.893 -8.718 10.626 1.00 0.00 N ATOM 521 CA GLU A 35 -5.112 -9.511 10.295 1.00 0.00 C ATOM 522 C GLU A 35 -5.641 -10.215 11.548 1.00 0.00 C ATOM 523 O GLU A 35 -4.887 -10.718 12.356 1.00 0.00 O ATOM 524 CB GLU A 35 -4.654 -10.532 9.254 1.00 0.00 C ATOM 525 CG GLU A 35 -4.048 -9.800 8.054 1.00 0.00 C ATOM 526 CD GLU A 35 -3.825 -10.792 6.911 1.00 0.00 C ATOM 527 OE1 GLU A 35 -3.907 -11.982 7.161 1.00 0.00 O ATOM 528 OE2 GLU A 35 -3.573 -10.343 5.805 1.00 0.00 O ATOM 0 H GLU A 35 -3.156 -9.230 11.110 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.921 -8.886 9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.919 -11.208 9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.497 -11.143 8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.712 -8.999 7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.103 -9.336 8.337 1.00 0.00 H new ATOM 535 N GLN A 36 -6.935 -10.252 11.713 1.00 0.00 N ATOM 536 CA GLN A 36 -7.516 -10.919 12.912 1.00 0.00 C ATOM 537 C GLN A 36 -8.698 -11.804 12.506 1.00 0.00 C ATOM 538 O GLN A 36 -9.811 -11.613 12.954 1.00 0.00 O ATOM 539 CB GLN A 36 -7.988 -9.774 13.810 1.00 0.00 C ATOM 540 CG GLN A 36 -8.232 -10.303 15.226 1.00 0.00 C ATOM 541 CD GLN A 36 -8.593 -9.137 16.149 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.473 -7.988 15.773 1.00 0.00 O ATOM 543 NE2 GLN A 36 -9.032 -9.385 17.352 1.00 0.00 N ATOM 0 H GLN A 36 -7.615 -9.849 11.069 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.796 -11.564 13.416 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.240 -8.981 13.830 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.904 -9.338 13.410 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.037 -11.038 15.218 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.341 -10.811 15.595 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.133 -10.349 17.669 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.274 -8.615 17.975 1.00 0.00 H new ATOM 552 N SER A 37 -8.465 -12.770 11.660 1.00 0.00 N ATOM 553 CA SER A 37 -9.578 -13.664 11.226 1.00 0.00 C ATOM 554 C SER A 37 -9.212 -15.128 11.484 1.00 0.00 C ATOM 555 O SER A 37 -8.143 -15.582 11.128 1.00 0.00 O ATOM 556 CB SER A 37 -9.732 -13.406 9.728 1.00 0.00 C ATOM 557 OG SER A 37 -10.853 -14.126 9.236 1.00 0.00 O ATOM 0 H SER A 37 -7.554 -12.979 11.251 1.00 0.00 H new ATOM 0 HA SER A 37 -10.502 -13.467 11.770 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.862 -12.340 9.543 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.829 -13.713 9.201 1.00 0.00 H new ATOM 0 HG SER A 37 -10.953 -13.959 8.275 1.00 0.00 H new ATOM 563 N GLY A 38 -10.092 -15.869 12.101 1.00 0.00 N ATOM 564 CA GLY A 38 -9.794 -17.302 12.380 1.00 0.00 C ATOM 565 C GLY A 38 -8.946 -17.409 13.648 1.00 0.00 C ATOM 566 O GLY A 38 -8.572 -16.418 14.242 1.00 0.00 O ATOM 0 H GLY A 38 -11.003 -15.544 12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.722 -17.860 12.502 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.264 -17.745 11.537 1.00 0.00 H new ATOM 570 N GLU A 39 -8.639 -18.606 14.068 1.00 0.00 N ATOM 571 CA GLU A 39 -7.814 -18.775 15.299 1.00 0.00 C ATOM 572 C GLU A 39 -6.424 -18.170 15.093 1.00 0.00 C ATOM 573 O GLU A 39 -5.801 -17.691 16.019 1.00 0.00 O ATOM 574 CB GLU A 39 -7.717 -20.288 15.504 1.00 0.00 C ATOM 575 CG GLU A 39 -9.093 -20.843 15.878 1.00 0.00 C ATOM 576 CD GLU A 39 -8.974 -22.335 16.188 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.906 -22.884 15.966 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.952 -22.907 16.643 1.00 0.00 O ATOM 0 H GLU A 39 -8.923 -19.474 13.613 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.252 -18.273 16.162 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.356 -20.766 14.594 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.996 -20.513 16.290 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.488 -20.311 16.744 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.795 -20.686 15.059 1.00 0.00 H new ATOM 585 N TRP A 40 -5.932 -18.189 13.884 1.00 0.00 N ATOM 586 CA TRP A 40 -4.581 -17.615 13.620 1.00 0.00 C ATOM 587 C TRP A 40 -4.708 -16.193 13.065 1.00 0.00 C ATOM 588 O TRP A 40 -5.616 -15.886 12.320 1.00 0.00 O ATOM 589 CB TRP A 40 -3.953 -18.545 12.581 1.00 0.00 C ATOM 590 CG TRP A 40 -3.672 -19.873 13.207 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.527 -20.921 13.222 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.473 -20.313 13.909 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.929 -21.976 13.888 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.662 -21.650 14.331 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.252 -19.687 14.218 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.676 -22.342 15.032 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.256 -20.380 14.925 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.467 -21.706 15.331 1.00 0.00 C ATOM 0 H TRP A 40 -6.406 -18.577 13.068 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.976 -17.547 14.524 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.626 -18.666 11.732 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.031 -18.109 12.197 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.515 -20.932 12.786 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.370 -22.884 14.034 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.079 -18.667 13.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.845 -23.363 15.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.678 -19.889 15.157 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.303 -22.235 15.873 1.00 0.00 H new ATOM 609 N TRP A 41 -3.800 -15.326 13.423 1.00 0.00 N ATOM 610 CA TRP A 41 -3.860 -13.921 12.921 1.00 0.00 C ATOM 611 C TRP A 41 -2.533 -13.539 12.263 1.00 0.00 C ATOM 612 O TRP A 41 -1.501 -14.120 12.535 1.00 0.00 O ATOM 613 CB TRP A 41 -4.102 -13.066 14.166 1.00 0.00 C ATOM 614 CG TRP A 41 -5.498 -13.277 14.660 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.520 -13.766 13.921 1.00 0.00 C ATOM 616 CD2 TRP A 41 -6.042 -13.011 15.985 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.656 -13.819 14.709 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.412 -13.365 15.990 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.485 -12.504 17.172 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.201 -13.220 17.131 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.275 -12.357 18.323 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.631 -12.714 18.302 1.00 0.00 C ATOM 0 H TRP A 41 -3.016 -15.530 14.043 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.640 -13.783 12.172 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.387 -13.330 14.945 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.944 -12.013 13.932 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.459 -14.066 12.885 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.563 -14.153 14.383 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.442 -12.226 17.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.245 -13.497 17.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.836 -11.967 19.229 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.234 -12.598 19.190 1.00 0.00 H new ATOM 633 N LYS A 42 -2.551 -12.556 11.407 1.00 0.00 N ATOM 634 CA LYS A 42 -1.291 -12.121 10.739 1.00 0.00 C ATOM 635 C LYS A 42 -0.751 -10.876 11.440 1.00 0.00 C ATOM 636 O LYS A 42 -1.502 -10.058 11.933 1.00 0.00 O ATOM 637 CB LYS A 42 -1.693 -11.799 9.299 1.00 0.00 C ATOM 638 CG LYS A 42 -0.468 -11.913 8.387 1.00 0.00 C ATOM 639 CD LYS A 42 -0.839 -11.445 6.979 1.00 0.00 C ATOM 640 CE LYS A 42 0.436 -11.144 6.190 1.00 0.00 C ATOM 641 NZ LYS A 42 0.064 -11.366 4.764 1.00 0.00 N ATOM 0 H LYS A 42 -3.385 -12.033 11.140 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.510 -12.881 10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.472 -12.485 8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.109 -10.793 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.349 -11.308 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.116 -12.944 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.421 -12.213 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.465 -10.554 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.771 -10.120 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.252 -11.800 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.888 -11.179 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.245 -12.351 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.711 -10.723 4.503 1.00 0.00 H new ATOM 655 N ALA A 43 0.542 -10.720 11.500 1.00 0.00 N ATOM 656 CA ALA A 43 1.098 -9.521 12.184 1.00 0.00 C ATOM 657 C ALA A 43 2.520 -9.228 11.699 1.00 0.00 C ATOM 658 O ALA A 43 3.035 -9.882 10.814 1.00 0.00 O ATOM 659 CB ALA A 43 1.107 -9.886 13.669 1.00 0.00 C ATOM 0 H ALA A 43 1.231 -11.363 11.110 1.00 0.00 H new ATOM 0 HA ALA A 43 0.509 -8.627 11.980 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.505 -9.051 14.246 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.090 -10.102 13.997 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.733 -10.765 13.824 1.00 0.00 H new ATOM 665 N GLN A 44 3.157 -8.247 12.279 1.00 0.00 N ATOM 666 CA GLN A 44 4.546 -7.904 11.865 1.00 0.00 C ATOM 667 C GLN A 44 5.340 -7.419 13.081 1.00 0.00 C ATOM 668 O GLN A 44 4.782 -6.924 14.039 1.00 0.00 O ATOM 669 CB GLN A 44 4.392 -6.781 10.840 1.00 0.00 C ATOM 670 CG GLN A 44 5.756 -6.457 10.229 1.00 0.00 C ATOM 671 CD GLN A 44 5.602 -5.331 9.205 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.515 -4.829 8.995 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.652 -4.908 8.555 1.00 0.00 N ATOM 0 H GLN A 44 2.773 -7.667 13.025 1.00 0.00 H new ATOM 0 HA GLN A 44 5.081 -8.757 11.448 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.694 -7.081 10.059 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.975 -5.894 11.317 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.455 -6.159 11.011 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.172 -7.344 9.751 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.564 -5.329 8.731 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.560 -4.157 7.871 1.00 0.00 H new ATOM 682 N SER A 45 6.636 -7.560 13.055 1.00 0.00 N ATOM 683 CA SER A 45 7.452 -7.107 14.217 1.00 0.00 C ATOM 684 C SER A 45 8.113 -5.760 13.912 1.00 0.00 C ATOM 685 O SER A 45 8.800 -5.605 12.921 1.00 0.00 O ATOM 686 CB SER A 45 8.510 -8.195 14.405 1.00 0.00 C ATOM 687 OG SER A 45 9.238 -7.946 15.599 1.00 0.00 O ATOM 0 H SER A 45 7.164 -7.967 12.283 1.00 0.00 H new ATOM 0 HA SER A 45 6.849 -6.965 15.114 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.035 -9.175 14.454 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.187 -8.211 13.550 1.00 0.00 H new ATOM 0 HG SER A 45 9.915 -8.644 15.721 1.00 0.00 H new ATOM 693 N LEU A 46 7.909 -4.787 14.756 1.00 0.00 N ATOM 694 CA LEU A 46 8.526 -3.451 14.516 1.00 0.00 C ATOM 695 C LEU A 46 9.983 -3.451 14.987 1.00 0.00 C ATOM 696 O LEU A 46 10.645 -2.433 14.988 1.00 0.00 O ATOM 697 CB LEU A 46 7.693 -2.476 15.347 1.00 0.00 C ATOM 698 CG LEU A 46 8.200 -1.050 15.120 1.00 0.00 C ATOM 699 CD1 LEU A 46 8.154 -0.725 13.626 1.00 0.00 C ATOM 700 CD2 LEU A 46 7.311 -0.066 15.883 1.00 0.00 C ATOM 0 H LEU A 46 7.342 -4.858 15.601 1.00 0.00 H new ATOM 0 HA LEU A 46 8.534 -3.182 13.460 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.642 -2.549 15.067 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.760 -2.733 16.404 1.00 0.00 H new ATOM 0 HG LEU A 46 9.226 -0.967 15.479 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.515 0.291 13.463 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.786 -1.426 13.081 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.128 -0.807 13.267 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.671 0.950 15.722 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.285 -0.148 15.524 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.342 -0.298 16.948 1.00 0.00 H new ATOM 712 N THR A 47 10.485 -4.587 15.387 1.00 0.00 N ATOM 713 CA THR A 47 11.897 -4.655 15.858 1.00 0.00 C ATOM 714 C THR A 47 12.823 -5.040 14.701 1.00 0.00 C ATOM 715 O THR A 47 13.927 -4.546 14.586 1.00 0.00 O ATOM 716 CB THR A 47 11.904 -5.740 16.935 1.00 0.00 C ATOM 717 OG1 THR A 47 10.977 -5.395 17.956 1.00 0.00 O ATOM 718 CG2 THR A 47 13.306 -5.860 17.535 1.00 0.00 C ATOM 0 H THR A 47 9.978 -5.472 15.408 1.00 0.00 H new ATOM 0 HA THR A 47 12.251 -3.698 16.242 1.00 0.00 H new ATOM 0 HB THR A 47 11.620 -6.694 16.492 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.730 -6.199 18.459 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.308 -6.634 18.302 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.016 -6.124 16.751 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.594 -4.907 17.980 1.00 0.00 H new ATOM 726 N THR A 48 12.383 -5.920 13.844 1.00 0.00 N ATOM 727 CA THR A 48 13.241 -6.336 12.696 1.00 0.00 C ATOM 728 C THR A 48 12.491 -6.136 11.376 1.00 0.00 C ATOM 729 O THR A 48 13.048 -6.285 10.307 1.00 0.00 O ATOM 730 CB THR A 48 13.526 -7.819 12.931 1.00 0.00 C ATOM 731 OG1 THR A 48 12.307 -8.547 12.886 1.00 0.00 O ATOM 732 CG2 THR A 48 14.183 -8.004 14.300 1.00 0.00 C ATOM 0 H THR A 48 11.468 -6.369 13.888 1.00 0.00 H new ATOM 0 HA THR A 48 14.158 -5.750 12.632 1.00 0.00 H new ATOM 0 HB THR A 48 14.198 -8.187 12.156 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.489 -9.498 13.035 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.386 -9.062 14.466 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.119 -7.446 14.333 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.513 -7.636 15.078 1.00 0.00 H new ATOM 740 N GLY A 49 11.231 -5.802 11.442 1.00 0.00 N ATOM 741 CA GLY A 49 10.450 -5.596 10.190 1.00 0.00 C ATOM 742 C GLY A 49 10.046 -6.954 9.613 1.00 0.00 C ATOM 743 O GLY A 49 9.856 -7.101 8.422 1.00 0.00 O ATOM 0 H GLY A 49 10.710 -5.663 12.308 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.563 -4.998 10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.046 -5.043 9.464 1.00 0.00 H new ATOM 747 N GLN A 50 9.914 -7.948 10.449 1.00 0.00 N ATOM 748 CA GLN A 50 9.522 -9.296 9.947 1.00 0.00 C ATOM 749 C GLN A 50 7.998 -9.448 9.967 1.00 0.00 C ATOM 750 O GLN A 50 7.348 -9.150 10.949 1.00 0.00 O ATOM 751 CB GLN A 50 10.172 -10.285 10.915 1.00 0.00 C ATOM 752 CG GLN A 50 10.014 -11.706 10.372 1.00 0.00 C ATOM 753 CD GLN A 50 10.677 -11.804 8.998 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.846 -11.505 8.850 1.00 0.00 O ATOM 755 NE2 GLN A 50 9.975 -12.212 7.975 1.00 0.00 N ATOM 0 H GLN A 50 10.060 -7.885 11.456 1.00 0.00 H new ATOM 0 HA GLN A 50 9.843 -9.461 8.919 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.228 -10.047 11.040 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.709 -10.206 11.898 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.468 -12.421 11.058 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.957 -11.962 10.297 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.994 -12.463 8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.408 -12.279 7.054 1.00 0.00 H new ATOM 764 N GLU A 51 7.426 -9.910 8.890 1.00 0.00 N ATOM 765 CA GLU A 51 5.946 -10.085 8.847 1.00 0.00 C ATOM 766 C GLU A 51 5.597 -11.567 8.690 1.00 0.00 C ATOM 767 O GLU A 51 6.177 -12.267 7.883 1.00 0.00 O ATOM 768 CB GLU A 51 5.490 -9.292 7.620 1.00 0.00 C ATOM 769 CG GLU A 51 5.925 -10.025 6.349 1.00 0.00 C ATOM 770 CD GLU A 51 5.470 -9.233 5.122 1.00 0.00 C ATOM 771 OE1 GLU A 51 4.817 -8.219 5.306 1.00 0.00 O ATOM 772 OE2 GLU A 51 5.782 -9.653 4.021 1.00 0.00 O ATOM 0 H GLU A 51 7.919 -10.174 8.037 1.00 0.00 H new ATOM 0 HA GLU A 51 5.460 -9.738 9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.406 -9.174 7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.920 -8.291 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.009 -10.143 6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.495 -11.026 6.329 1.00 0.00 H new ATOM 779 N GLY A 52 4.659 -12.054 9.455 1.00 0.00 N ATOM 780 CA GLY A 52 4.284 -13.492 9.344 1.00 0.00 C ATOM 781 C GLY A 52 3.049 -13.770 10.201 1.00 0.00 C ATOM 782 O GLY A 52 2.659 -12.970 11.030 1.00 0.00 O ATOM 0 H GLY A 52 4.137 -11.520 10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.081 -13.746 8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.113 -14.120 9.669 1.00 0.00 H new ATOM 786 N PHE A 53 2.427 -14.901 10.006 1.00 0.00 N ATOM 787 CA PHE A 53 1.215 -15.236 10.806 1.00 0.00 C ATOM 788 C PHE A 53 1.597 -15.493 12.266 1.00 0.00 C ATOM 789 O PHE A 53 2.628 -16.068 12.557 1.00 0.00 O ATOM 790 CB PHE A 53 0.655 -16.505 10.164 1.00 0.00 C ATOM 791 CG PHE A 53 -0.022 -16.150 8.862 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.305 -15.593 8.870 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.636 -16.377 7.648 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.933 -15.262 7.663 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.009 -16.046 6.440 1.00 0.00 C ATOM 796 CZ PHE A 53 -1.275 -15.488 6.448 1.00 0.00 C ATOM 0 H PHE A 53 2.706 -15.608 9.326 1.00 0.00 H new ATOM 0 HA PHE A 53 0.486 -14.426 10.809 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.458 -17.221 9.986 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.056 -16.984 10.838 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.812 -15.418 9.808 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.627 -16.807 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.924 -14.833 7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.516 -16.221 5.503 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.758 -15.232 5.517 1.00 0.00 H new ATOM 806 N ILE A 54 0.774 -15.070 13.186 1.00 0.00 N ATOM 807 CA ILE A 54 1.090 -15.289 14.627 1.00 0.00 C ATOM 808 C ILE A 54 -0.160 -15.762 15.374 1.00 0.00 C ATOM 809 O ILE A 54 -1.246 -15.264 15.149 1.00 0.00 O ATOM 810 CB ILE A 54 1.545 -13.923 15.144 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.337 -12.990 15.265 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.557 -13.321 14.167 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.098 -12.905 16.729 1.00 0.00 C ATOM 0 H ILE A 54 -0.103 -14.583 13.003 1.00 0.00 H new ATOM 0 HA ILE A 54 1.854 -16.053 14.774 1.00 0.00 H new ATOM 0 HB ILE A 54 2.009 -14.043 16.123 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.592 -11.998 14.892 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.484 -13.360 14.651 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.882 -12.348 14.534 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.419 -13.983 14.082 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.092 -13.203 13.188 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.958 -12.241 16.815 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.370 -13.898 17.086 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.723 -12.515 17.331 1.00 0.00 H new ATOM 825 N PRO A 55 0.038 -16.715 16.243 1.00 0.00 N ATOM 826 CA PRO A 55 -1.119 -17.235 17.015 1.00 0.00 C ATOM 827 C PRO A 55 -1.687 -16.141 17.921 1.00 0.00 C ATOM 828 O PRO A 55 -1.000 -15.213 18.297 1.00 0.00 O ATOM 829 CB PRO A 55 -0.535 -18.376 17.839 1.00 0.00 C ATOM 830 CG PRO A 55 0.915 -18.051 17.970 1.00 0.00 C ATOM 831 CD PRO A 55 1.305 -17.269 16.743 1.00 0.00 C ATOM 0 HA PRO A 55 -1.940 -17.564 16.378 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.015 -18.444 18.815 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.682 -19.336 17.344 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.099 -17.469 18.873 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.508 -18.962 18.051 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.016 -16.479 16.985 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.780 -17.908 15.999 1.00 0.00 H new ATOM 839 N PHE A 56 -2.939 -16.241 18.268 1.00 0.00 N ATOM 840 CA PHE A 56 -3.554 -15.202 19.143 1.00 0.00 C ATOM 841 C PHE A 56 -3.266 -15.499 20.619 1.00 0.00 C ATOM 842 O PHE A 56 -3.668 -14.759 21.496 1.00 0.00 O ATOM 843 CB PHE A 56 -5.057 -15.284 18.857 1.00 0.00 C ATOM 844 CG PHE A 56 -5.651 -16.481 19.562 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.592 -17.747 18.968 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.264 -16.323 20.812 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.145 -18.855 19.623 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.816 -17.430 21.466 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.757 -18.696 20.872 1.00 0.00 C ATOM 0 H PHE A 56 -3.564 -16.996 17.985 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.153 -14.208 18.944 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.550 -14.372 19.193 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.228 -15.362 17.783 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.120 -17.870 18.004 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.310 -15.346 21.271 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.099 -19.832 19.164 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.288 -17.308 22.430 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.184 -19.550 21.377 1.00 0.00 H new ATOM 859 N ASN A 57 -2.586 -16.576 20.906 1.00 0.00 N ATOM 860 CA ASN A 57 -2.293 -16.910 22.329 1.00 0.00 C ATOM 861 C ASN A 57 -0.879 -16.464 22.717 1.00 0.00 C ATOM 862 O ASN A 57 -0.597 -16.208 23.871 1.00 0.00 O ATOM 863 CB ASN A 57 -2.413 -18.432 22.408 1.00 0.00 C ATOM 864 CG ASN A 57 -3.888 -18.833 22.337 1.00 0.00 C ATOM 865 OD1 ASN A 57 -4.745 -18.125 22.827 1.00 0.00 O ATOM 866 ND2 ASN A 57 -4.221 -19.946 21.745 1.00 0.00 N ATOM 0 H ASN A 57 -2.222 -17.237 20.219 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.975 -16.404 23.013 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.860 -18.894 21.590 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.971 -18.794 23.336 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.201 -20.223 21.693 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.501 -20.540 21.334 1.00 0.00 H new ATOM 873 N PHE A 58 0.017 -16.373 21.771 1.00 0.00 N ATOM 874 CA PHE A 58 1.409 -15.950 22.108 1.00 0.00 C ATOM 875 C PHE A 58 1.497 -14.424 22.180 1.00 0.00 C ATOM 876 O PHE A 58 2.541 -13.867 22.453 1.00 0.00 O ATOM 877 CB PHE A 58 2.284 -16.481 20.972 1.00 0.00 C ATOM 878 CG PHE A 58 2.412 -17.982 21.090 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.282 -18.797 20.940 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.662 -18.559 21.348 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.403 -20.187 21.049 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.781 -19.950 21.457 1.00 0.00 C ATOM 883 CZ PHE A 58 2.652 -20.764 21.308 1.00 0.00 C ATOM 0 H PHE A 58 -0.152 -16.572 20.785 1.00 0.00 H new ATOM 0 HA PHE A 58 1.727 -16.335 23.077 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.847 -16.218 20.009 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.270 -16.018 21.012 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.318 -18.353 20.740 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.533 -17.931 21.463 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.532 -20.815 20.933 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.745 -20.395 21.656 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.744 -21.837 21.393 1.00 0.00 H new ATOM 893 N VAL A 59 0.412 -13.741 21.939 1.00 0.00 N ATOM 894 CA VAL A 59 0.443 -12.252 21.995 1.00 0.00 C ATOM 895 C VAL A 59 -0.773 -11.724 22.759 1.00 0.00 C ATOM 896 O VAL A 59 -1.843 -12.299 22.718 1.00 0.00 O ATOM 897 CB VAL A 59 0.401 -11.798 20.536 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.670 -12.266 19.820 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.824 -12.403 19.849 1.00 0.00 C ATOM 0 H VAL A 59 -0.494 -14.149 21.706 1.00 0.00 H new ATOM 0 HA VAL A 59 1.327 -11.878 22.512 1.00 0.00 H new ATOM 0 HB VAL A 59 0.340 -10.710 20.495 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.641 -11.943 18.779 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.544 -11.836 20.309 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.731 -13.354 19.860 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.854 -12.080 18.809 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.764 -13.491 19.889 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.728 -12.071 20.359 1.00 0.00 H new ATOM 909 N ALA A 60 -0.619 -10.630 23.455 1.00 0.00 N ATOM 910 CA ALA A 60 -1.767 -10.065 24.221 1.00 0.00 C ATOM 911 C ALA A 60 -2.006 -8.607 23.818 1.00 0.00 C ATOM 912 O ALA A 60 -1.151 -7.965 23.241 1.00 0.00 O ATOM 913 CB ALA A 60 -1.347 -10.154 25.688 1.00 0.00 C ATOM 0 H ALA A 60 0.252 -10.103 23.526 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.695 -10.603 24.030 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.142 -9.756 26.319 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.162 -11.196 25.951 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.437 -9.574 25.842 1.00 0.00 H new