USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 449 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 9 THR OG1 : rot 2:sc= 0.627 USER MOD Single : A 10 MET CE :methyl -179:sc= -9! (180deg=-9.11!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 21 SER OG : rot 150:sc= -0.134 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -4.3! K(o=-4.3!,f=-2.6) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.08! K(o=-4.1!,f=-1.7) USER MOD Single : A 35 GLN : amide:sc= -1.25 K(o=-1.2,f=0) USER MOD Single : A 42 TYR OH : rot -85:sc= 0.4 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 51:sc= 1.15 USER MOD Single : A 50 THR OG1 : rot -170:sc=-0.00544 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -164:sc= -0.293 USER MOD Single : A 62 GLN : amide:sc= -10.4! C(o=-10!,f=-4.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -4.12! C(o=-4.1!,f=-5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 4.958 9.411 4.056 1.00 13.33 N ATOM 73 CA GLU A 7 4.912 8.861 2.706 1.00 23.30 C ATOM 74 C GLU A 7 4.959 7.336 2.737 1.00 40.25 C ATOM 75 O GLU A 7 5.964 6.743 3.128 1.00 55.53 O ATOM 76 CB GLU A 7 6.075 9.400 1.871 1.00 0.34 C ATOM 77 CG GLU A 7 7.269 9.841 2.702 1.00 71.54 C ATOM 78 CD GLU A 7 8.249 10.686 1.914 1.00 34.13 C ATOM 79 OE1 GLU A 7 7.937 11.867 1.653 1.00 40.33 O ATOM 80 OE2 GLU A 7 9.328 10.167 1.556 1.00 43.51 O ATOM 0 HA GLU A 7 3.972 9.169 2.249 1.00 23.30 H new ATOM 0 HB2 GLU A 7 6.396 8.629 1.170 1.00 0.34 H new ATOM 0 HB3 GLU A 7 5.724 10.244 1.278 1.00 0.34 H new ATOM 0 HG2 GLU A 7 6.917 10.408 3.564 1.00 71.54 H new ATOM 0 HG3 GLU A 7 7.783 8.961 3.088 1.00 71.54 H new ATOM 85 N VAL A 8 3.862 6.708 2.326 1.00 34.33 N ATOM 86 CA VAL A 8 3.777 5.253 2.306 1.00 72.31 C ATOM 87 C VAL A 8 4.492 4.676 1.088 1.00 24.24 C ATOM 88 O VAL A 8 4.116 4.948 -0.053 1.00 13.30 O ATOM 89 CB VAL A 8 2.313 4.776 2.301 1.00 22.30 C ATOM 90 CG1 VAL A 8 1.688 4.985 0.930 1.00 64.33 C ATOM 91 CG2 VAL A 8 2.228 3.315 2.719 1.00 24.34 C ATOM 0 H VAL A 8 3.020 7.184 2.002 1.00 34.33 H new ATOM 0 HA VAL A 8 4.265 4.896 3.213 1.00 72.31 H new ATOM 0 HB VAL A 8 1.752 5.370 3.023 1.00 22.30 H new ATOM 0 HG11 VAL A 8 0.653 4.642 0.946 1.00 64.33 H new ATOM 0 HG12 VAL A 8 1.715 6.044 0.675 1.00 64.33 H new ATOM 0 HG13 VAL A 8 2.247 4.418 0.185 1.00 64.33 H new ATOM 0 HG21 VAL A 8 1.186 2.994 2.710 1.00 24.34 H new ATOM 0 HG22 VAL A 8 2.802 2.703 2.023 1.00 24.34 H new ATOM 0 HG23 VAL A 8 2.635 3.200 3.724 1.00 24.34 H new ATOM 101 N THR A 9 5.525 3.877 1.338 1.00 45.31 N ATOM 102 CA THR A 9 6.292 3.262 0.263 1.00 73.22 C ATOM 103 C THR A 9 6.314 1.744 0.401 1.00 53.32 C ATOM 104 O THR A 9 6.721 1.212 1.432 1.00 63.55 O ATOM 105 CB THR A 9 7.741 3.785 0.237 1.00 31.21 C ATOM 106 OG1 THR A 9 8.490 3.204 1.311 1.00 10.15 O ATOM 107 CG2 THR A 9 7.772 5.301 0.352 1.00 42.40 C ATOM 0 H THR A 9 5.849 3.641 2.276 1.00 45.31 H new ATOM 0 HA THR A 9 5.799 3.531 -0.671 1.00 73.22 H new ATOM 0 HB THR A 9 8.190 3.500 -0.715 1.00 31.21 H new ATOM 0 HG1 THR A 9 7.923 2.573 1.802 1.00 10.15 H new ATOM 0 HG21 THR A 9 8.806 5.646 0.331 1.00 42.40 H new ATOM 0 HG22 THR A 9 7.226 5.740 -0.483 1.00 42.40 H new ATOM 0 HG23 THR A 9 7.307 5.604 1.290 1.00 42.40 H new ATOM 115 N MET A 10 5.875 1.053 -0.646 1.00 60.24 N ATOM 116 CA MET A 10 5.846 -0.405 -0.641 1.00 14.43 C ATOM 117 C MET A 10 7.002 -0.975 -1.459 1.00 44.31 C ATOM 118 O MET A 10 6.979 -0.942 -2.689 1.00 52.04 O ATOM 119 CB MET A 10 4.514 -0.912 -1.196 1.00 35.20 C ATOM 120 CG MET A 10 3.416 0.140 -1.197 1.00 74.40 C ATOM 121 SD MET A 10 1.891 -0.450 -1.957 1.00 65.41 S ATOM 122 CE MET A 10 2.086 0.162 -3.628 1.00 22.22 C ATOM 0 H MET A 10 5.535 1.479 -1.508 1.00 60.24 H new ATOM 0 HA MET A 10 5.953 -0.742 0.390 1.00 14.43 H new ATOM 0 HB2 MET A 10 4.666 -1.268 -2.215 1.00 35.20 H new ATOM 0 HB3 MET A 10 4.186 -1.767 -0.606 1.00 35.20 H new ATOM 0 HG2 MET A 10 3.211 0.447 -0.171 1.00 74.40 H new ATOM 0 HG3 MET A 10 3.765 1.024 -1.731 1.00 74.40 H new ATOM 0 HE1 MET A 10 1.211 -0.108 -4.219 1.00 22.22 H new ATOM 0 HE2 MET A 10 2.190 1.247 -3.608 1.00 22.22 H new ATOM 0 HE3 MET A 10 2.976 -0.279 -4.076 1.00 22.22 H new ATOM 130 N LYS A 11 8.010 -1.494 -0.767 1.00 63.00 N ATOM 131 CA LYS A 11 9.174 -2.072 -1.428 1.00 2.12 C ATOM 132 C LYS A 11 8.972 -3.563 -1.682 1.00 1.11 C ATOM 133 O LYS A 11 8.485 -4.290 -0.816 1.00 12.20 O ATOM 134 CB LYS A 11 10.429 -1.853 -0.580 1.00 31.01 C ATOM 135 CG LYS A 11 11.075 -0.495 -0.790 1.00 55.30 C ATOM 136 CD LYS A 11 12.332 -0.340 0.050 1.00 51.14 C ATOM 137 CE LYS A 11 13.411 0.429 -0.697 1.00 5.41 C ATOM 138 NZ LYS A 11 14.484 -0.471 -1.203 1.00 10.40 N ATOM 0 H LYS A 11 8.045 -1.526 0.252 1.00 63.00 H new ATOM 0 HA LYS A 11 9.300 -1.572 -2.388 1.00 2.12 H new ATOM 0 HB2 LYS A 11 10.170 -1.964 0.473 1.00 31.01 H new ATOM 0 HB3 LYS A 11 11.155 -2.632 -0.813 1.00 31.01 H new ATOM 0 HG2 LYS A 11 11.322 -0.368 -1.844 1.00 55.30 H new ATOM 0 HG3 LYS A 11 10.365 0.291 -0.532 1.00 55.30 H new ATOM 0 HD2 LYS A 11 12.089 0.179 0.977 1.00 51.14 H new ATOM 0 HD3 LYS A 11 12.710 -1.324 0.326 1.00 51.14 H new ATOM 0 HE2 LYS A 11 12.962 0.965 -1.533 1.00 5.41 H new ATOM 0 HE3 LYS A 11 13.847 1.178 -0.036 1.00 5.41 H new ATOM 0 HZ1 LYS A 11 15.200 0.091 -1.706 1.00 10.40 H new ATOM 0 HZ2 LYS A 11 14.930 -0.964 -0.403 1.00 10.40 H new ATOM 0 HZ3 LYS A 11 14.073 -1.170 -1.854 1.00 10.40 H new ATOM 148 N LYS A 12 9.351 -4.012 -2.873 1.00 32.21 N ATOM 149 CA LYS A 12 9.214 -5.417 -3.240 1.00 32.04 C ATOM 150 C LYS A 12 9.748 -6.322 -2.135 1.00 21.33 C ATOM 151 O LYS A 12 10.946 -6.342 -1.859 1.00 53.42 O ATOM 152 CB LYS A 12 9.959 -5.698 -4.548 1.00 0.12 C ATOM 153 CG LYS A 12 9.352 -6.828 -5.361 1.00 10.03 C ATOM 154 CD LYS A 12 9.301 -6.484 -6.841 1.00 32.51 C ATOM 155 CE LYS A 12 10.693 -6.450 -7.454 1.00 42.31 C ATOM 156 NZ LYS A 12 10.762 -5.524 -8.619 1.00 75.13 N ATOM 0 H LYS A 12 9.756 -3.424 -3.601 1.00 32.21 H new ATOM 0 HA LYS A 12 8.154 -5.629 -3.379 1.00 32.04 H new ATOM 0 HB2 LYS A 12 9.970 -4.791 -5.153 1.00 0.12 H new ATOM 0 HB3 LYS A 12 10.997 -5.942 -4.321 1.00 0.12 H new ATOM 0 HG2 LYS A 12 9.937 -7.736 -5.217 1.00 10.03 H new ATOM 0 HG3 LYS A 12 8.345 -7.037 -5.000 1.00 10.03 H new ATOM 0 HD2 LYS A 12 8.689 -7.218 -7.365 1.00 32.51 H new ATOM 0 HD3 LYS A 12 8.820 -5.515 -6.974 1.00 32.51 H new ATOM 0 HE2 LYS A 12 11.415 -6.139 -6.699 1.00 42.31 H new ATOM 0 HE3 LYS A 12 10.975 -7.454 -7.771 1.00 42.31 H new ATOM 0 HZ1 LYS A 12 11.726 -5.528 -9.009 1.00 75.13 H new ATOM 0 HZ2 LYS A 12 10.091 -5.835 -9.350 1.00 75.13 H new ATOM 0 HZ3 LYS A 12 10.517 -4.561 -8.312 1.00 75.13 H new ATOM 166 N GLY A 13 8.848 -7.073 -1.506 1.00 42.31 N ATOM 167 CA GLY A 13 9.248 -7.971 -0.439 1.00 72.44 C ATOM 168 C GLY A 13 9.085 -7.350 0.934 1.00 60.24 C ATOM 169 O GLY A 13 9.749 -7.754 1.889 1.00 12.51 O ATOM 0 H GLY A 13 7.850 -7.075 -1.717 1.00 42.31 H new ATOM 0 HA2 GLY A 13 8.654 -8.883 -0.494 1.00 72.44 H new ATOM 0 HA3 GLY A 13 10.289 -8.259 -0.582 1.00 72.44 H new ATOM 173 N ASP A 14 8.200 -6.365 1.034 1.00 3.11 N ATOM 174 CA ASP A 14 7.951 -5.685 2.301 1.00 71.22 C ATOM 175 C ASP A 14 6.489 -5.823 2.714 1.00 71.14 C ATOM 176 O ASP A 14 5.586 -5.717 1.883 1.00 14.13 O ATOM 177 CB ASP A 14 8.327 -4.206 2.192 1.00 65.05 C ATOM 178 CG ASP A 14 9.023 -3.694 3.437 1.00 50.05 C ATOM 179 OD1 ASP A 14 10.263 -3.818 3.516 1.00 13.50 O ATOM 180 OD2 ASP A 14 8.329 -3.170 4.334 1.00 2.30 O ATOM 0 H ASP A 14 7.642 -6.019 0.253 1.00 3.11 H new ATOM 0 HA ASP A 14 8.571 -6.154 3.065 1.00 71.22 H new ATOM 0 HB2 ASP A 14 8.978 -4.062 1.330 1.00 65.05 H new ATOM 0 HB3 ASP A 14 7.427 -3.617 2.014 1.00 65.05 H new ATOM 184 N ILE A 15 6.263 -6.061 4.002 1.00 34.24 N ATOM 185 CA ILE A 15 4.911 -6.214 4.524 1.00 40.43 C ATOM 186 C ILE A 15 4.380 -4.892 5.068 1.00 22.22 C ATOM 187 O ILE A 15 5.116 -4.120 5.683 1.00 32.04 O ATOM 188 CB ILE A 15 4.855 -7.274 5.639 1.00 50.15 C ATOM 189 CG1 ILE A 15 5.532 -8.567 5.179 1.00 54.30 C ATOM 190 CG2 ILE A 15 3.413 -7.541 6.045 1.00 1.33 C ATOM 191 CD1 ILE A 15 5.993 -9.447 6.320 1.00 10.20 C ATOM 0 H ILE A 15 6.999 -6.152 4.703 1.00 34.24 H new ATOM 0 HA ILE A 15 4.286 -6.540 3.692 1.00 40.43 H new ATOM 0 HB ILE A 15 5.392 -6.894 6.508 1.00 50.15 H new ATOM 0 HG12 ILE A 15 4.837 -9.129 4.555 1.00 54.30 H new ATOM 0 HG13 ILE A 15 6.390 -8.316 4.555 1.00 54.30 H new ATOM 0 HG21 ILE A 15 3.390 -8.293 6.834 1.00 1.33 H new ATOM 0 HG22 ILE A 15 2.961 -6.619 6.409 1.00 1.33 H new ATOM 0 HG23 ILE A 15 2.853 -7.903 5.183 1.00 1.33 H new ATOM 0 HD11 ILE A 15 6.463 -10.345 5.920 1.00 10.20 H new ATOM 0 HD12 ILE A 15 6.712 -8.903 6.932 1.00 10.20 H new ATOM 0 HD13 ILE A 15 5.136 -9.728 6.932 1.00 10.20 H new ATOM 202 N LEU A 16 3.097 -4.638 4.838 1.00 61.10 N ATOM 203 CA LEU A 16 2.464 -3.409 5.306 1.00 72.21 C ATOM 204 C LEU A 16 1.029 -3.671 5.751 1.00 65.23 C ATOM 205 O LEU A 16 0.237 -4.262 5.016 1.00 62.42 O ATOM 206 CB LEU A 16 2.483 -2.350 4.202 1.00 65.44 C ATOM 207 CG LEU A 16 3.647 -2.430 3.215 1.00 50.12 C ATOM 208 CD1 LEU A 16 3.211 -3.119 1.931 1.00 3.03 C ATOM 209 CD2 LEU A 16 4.192 -1.041 2.919 1.00 41.40 C ATOM 0 H LEU A 16 2.474 -5.266 4.330 1.00 61.10 H new ATOM 0 HA LEU A 16 3.029 -3.042 6.163 1.00 72.21 H new ATOM 0 HB2 LEU A 16 1.551 -2.422 3.641 1.00 65.44 H new ATOM 0 HB3 LEU A 16 2.497 -1.366 4.670 1.00 65.44 H new ATOM 0 HG LEU A 16 4.443 -3.021 3.668 1.00 50.12 H new ATOM 0 HD11 LEU A 16 4.053 -3.167 1.240 1.00 3.03 H new ATOM 0 HD12 LEU A 16 2.870 -4.129 2.158 1.00 3.03 H new ATOM 0 HD13 LEU A 16 2.398 -2.555 1.474 1.00 3.03 H new ATOM 0 HD21 LEU A 16 5.020 -1.118 2.214 1.00 41.40 H new ATOM 0 HD22 LEU A 16 3.403 -0.425 2.486 1.00 41.40 H new ATOM 0 HD23 LEU A 16 4.543 -0.583 3.844 1.00 41.40 H new ATOM 220 N THR A 17 0.699 -3.225 6.959 1.00 72.24 N ATOM 221 CA THR A 17 -0.641 -3.410 7.502 1.00 52.34 C ATOM 222 C THR A 17 -1.704 -3.159 6.439 1.00 65.03 C ATOM 223 O THR A 17 -1.724 -2.106 5.803 1.00 12.25 O ATOM 224 CB THR A 17 -0.896 -2.473 8.698 1.00 44.44 C ATOM 225 OG1 THR A 17 0.040 -2.750 9.747 1.00 25.52 O ATOM 226 CG2 THR A 17 -2.316 -2.638 9.222 1.00 13.34 C ATOM 0 H THR A 17 1.341 -2.733 7.580 1.00 72.24 H new ATOM 0 HA THR A 17 -0.706 -4.444 7.840 1.00 52.34 H new ATOM 0 HB THR A 17 -0.767 -1.445 8.359 1.00 44.44 H new ATOM 0 HG1 THR A 17 -0.128 -2.149 10.503 1.00 25.52 H new ATOM 0 HG21 THR A 17 -2.473 -1.966 10.066 1.00 13.34 H new ATOM 0 HG22 THR A 17 -3.026 -2.398 8.431 1.00 13.34 H new ATOM 0 HG23 THR A 17 -2.467 -3.668 9.545 1.00 13.34 H new ATOM 234 N LEU A 18 -2.588 -4.134 6.253 1.00 4.43 N ATOM 235 CA LEU A 18 -3.657 -4.018 5.266 1.00 73.15 C ATOM 236 C LEU A 18 -4.678 -2.967 5.690 1.00 60.42 C ATOM 237 O LEU A 18 -5.813 -3.294 6.043 1.00 13.51 O ATOM 238 CB LEU A 18 -4.348 -5.369 5.075 1.00 21.23 C ATOM 239 CG LEU A 18 -5.246 -5.495 3.843 1.00 5.31 C ATOM 240 CD1 LEU A 18 -6.693 -5.195 4.204 1.00 62.54 C ATOM 241 CD2 LEU A 18 -4.767 -4.566 2.738 1.00 21.53 C ATOM 0 H LEU A 18 -2.586 -5.012 6.772 1.00 4.43 H new ATOM 0 HA LEU A 18 -3.214 -3.706 4.320 1.00 73.15 H new ATOM 0 HB2 LEU A 18 -3.582 -6.142 5.022 1.00 21.23 H new ATOM 0 HB3 LEU A 18 -4.949 -5.576 5.961 1.00 21.23 H new ATOM 0 HG LEU A 18 -5.189 -6.521 3.479 1.00 5.31 H new ATOM 0 HD11 LEU A 18 -7.317 -5.290 3.315 1.00 62.54 H new ATOM 0 HD12 LEU A 18 -7.033 -5.900 4.962 1.00 62.54 H new ATOM 0 HD13 LEU A 18 -6.768 -4.180 4.593 1.00 62.54 H new ATOM 0 HD21 LEU A 18 -5.417 -4.669 1.869 1.00 21.53 H new ATOM 0 HD22 LEU A 18 -4.794 -3.535 3.092 1.00 21.53 H new ATOM 0 HD23 LEU A 18 -3.746 -4.827 2.460 1.00 21.53 H new ATOM 252 N LEU A 19 -4.269 -1.703 5.651 1.00 65.43 N ATOM 253 CA LEU A 19 -5.149 -0.603 6.029 1.00 33.15 C ATOM 254 C LEU A 19 -6.434 -0.626 5.208 1.00 35.35 C ATOM 255 O LEU A 19 -6.646 -1.525 4.394 1.00 51.22 O ATOM 256 CB LEU A 19 -4.434 0.736 5.840 1.00 20.31 C ATOM 257 CG LEU A 19 -3.741 1.307 7.077 1.00 53.22 C ATOM 258 CD1 LEU A 19 -2.888 0.243 7.750 1.00 35.41 C ATOM 259 CD2 LEU A 19 -2.892 2.514 6.704 1.00 0.34 C ATOM 0 H LEU A 19 -3.334 -1.415 5.362 1.00 65.43 H new ATOM 0 HA LEU A 19 -5.409 -0.724 7.080 1.00 33.15 H new ATOM 0 HB2 LEU A 19 -3.690 0.620 5.052 1.00 20.31 H new ATOM 0 HB3 LEU A 19 -5.161 1.467 5.486 1.00 20.31 H new ATOM 0 HG LEU A 19 -4.507 1.630 7.782 1.00 53.22 H new ATOM 0 HD11 LEU A 19 -2.402 0.668 8.629 1.00 35.41 H new ATOM 0 HD12 LEU A 19 -3.520 -0.592 8.053 1.00 35.41 H new ATOM 0 HD13 LEU A 19 -2.129 -0.111 7.052 1.00 35.41 H new ATOM 0 HD21 LEU A 19 -2.406 2.907 7.597 1.00 0.34 H new ATOM 0 HD22 LEU A 19 -2.134 2.216 5.980 1.00 0.34 H new ATOM 0 HD23 LEU A 19 -3.527 3.285 6.267 1.00 0.34 H new ATOM 270 N ASN A 20 -7.287 0.369 5.425 1.00 31.44 N ATOM 271 CA ASN A 20 -8.551 0.463 4.702 1.00 2.53 C ATOM 272 C ASN A 20 -8.356 0.154 3.221 1.00 23.20 C ATOM 273 O ASN A 20 -7.885 0.997 2.457 1.00 22.52 O ATOM 274 CB ASN A 20 -9.154 1.860 4.868 1.00 74.20 C ATOM 275 CG ASN A 20 -10.534 1.823 5.496 1.00 22.25 C ATOM 276 OD1 ASN A 20 -10.676 1.901 6.716 1.00 3.42 O ATOM 277 ND2 ASN A 20 -11.560 1.702 4.661 1.00 2.14 N ATOM 0 H ASN A 20 -7.127 1.121 6.095 1.00 31.44 H new ATOM 0 HA ASN A 20 -9.236 -0.274 5.121 1.00 2.53 H new ATOM 0 HB2 ASN A 20 -8.493 2.467 5.486 1.00 74.20 H new ATOM 0 HB3 ASN A 20 -9.214 2.345 3.894 1.00 74.20 H new ATOM 0 HD21 ASN A 20 -12.512 1.670 5.025 1.00 2.14 H new ATOM 0 HD22 ASN A 20 -11.395 1.641 3.656 1.00 2.14 H new ATOM 283 N SER A 21 -8.722 -1.059 2.822 1.00 62.42 N ATOM 284 CA SER A 21 -8.585 -1.481 1.433 1.00 74.41 C ATOM 285 C SER A 21 -9.896 -1.295 0.676 1.00 31.10 C ATOM 286 O SER A 21 -10.149 -1.962 -0.327 1.00 74.52 O ATOM 287 CB SER A 21 -8.147 -2.946 1.364 1.00 31.22 C ATOM 288 OG SER A 21 -8.895 -3.745 2.264 1.00 64.12 O ATOM 0 H SER A 21 -9.116 -1.768 3.441 1.00 62.42 H new ATOM 0 HA SER A 21 -7.823 -0.858 0.964 1.00 74.41 H new ATOM 0 HB2 SER A 21 -8.275 -3.320 0.348 1.00 31.22 H new ATOM 0 HB3 SER A 21 -7.086 -3.023 1.600 1.00 31.22 H new ATOM 0 HG SER A 21 -8.974 -4.654 1.906 1.00 64.12 H new ATOM 293 N THR A 22 -10.729 -0.381 1.165 1.00 35.42 N ATOM 294 CA THR A 22 -12.015 -0.106 0.537 1.00 13.21 C ATOM 295 C THR A 22 -11.848 0.195 -0.948 1.00 10.14 C ATOM 296 O THR A 22 -12.550 -0.369 -1.787 1.00 15.44 O ATOM 297 CB THR A 22 -12.727 1.081 1.212 1.00 30.23 C ATOM 298 OG1 THR A 22 -13.883 1.455 0.453 1.00 52.02 O ATOM 299 CG2 THR A 22 -11.791 2.273 1.340 1.00 54.34 C ATOM 0 H THR A 22 -10.536 0.181 1.994 1.00 35.42 H new ATOM 0 HA THR A 22 -12.624 -1.002 0.658 1.00 13.21 H new ATOM 0 HB THR A 22 -13.033 0.771 2.211 1.00 30.23 H new ATOM 0 HG1 THR A 22 -14.331 2.209 0.890 1.00 52.02 H new ATOM 0 HG21 THR A 22 -12.317 3.099 1.820 1.00 54.34 H new ATOM 0 HG22 THR A 22 -10.927 1.994 1.943 1.00 54.34 H new ATOM 0 HG23 THR A 22 -11.458 2.582 0.349 1.00 54.34 H new ATOM 307 N ASN A 23 -10.914 1.085 -1.266 1.00 4.42 N ATOM 308 CA ASN A 23 -10.656 1.461 -2.652 1.00 70.21 C ATOM 309 C ASN A 23 -10.230 0.248 -3.473 1.00 23.23 C ATOM 310 O ASN A 23 -9.134 -0.284 -3.295 1.00 43.42 O ATOM 311 CB ASN A 23 -9.574 2.540 -2.716 1.00 53.13 C ATOM 312 CG ASN A 23 -10.139 3.907 -3.044 1.00 4.34 C ATOM 313 OD1 ASN A 23 -10.702 4.583 -2.182 1.00 54.05 O ATOM 314 ND2 ASN A 23 -9.993 4.323 -4.297 1.00 43.31 N ATOM 0 H ASN A 23 -10.323 1.559 -0.583 1.00 4.42 H new ATOM 0 HA ASN A 23 -11.580 1.857 -3.074 1.00 70.21 H new ATOM 0 HB2 ASN A 23 -9.053 2.585 -1.760 1.00 53.13 H new ATOM 0 HB3 ASN A 23 -8.835 2.265 -3.469 1.00 53.13 H new ATOM 0 HD21 ASN A 23 -10.354 5.235 -4.577 1.00 43.31 H new ATOM 0 HD22 ASN A 23 -9.520 3.731 -4.979 1.00 43.31 H new ATOM 320 N LYS A 24 -11.104 -0.185 -4.376 1.00 52.32 N ATOM 321 CA LYS A 24 -10.820 -1.334 -5.228 1.00 50.43 C ATOM 322 C LYS A 24 -9.619 -1.060 -6.128 1.00 62.21 C ATOM 323 O LYS A 24 -8.904 -1.981 -6.521 1.00 15.25 O ATOM 324 CB LYS A 24 -12.043 -1.677 -6.081 1.00 75.13 C ATOM 325 CG LYS A 24 -12.024 -1.035 -7.457 1.00 12.24 C ATOM 326 CD LYS A 24 -13.428 -0.718 -7.945 1.00 51.31 C ATOM 327 CE LYS A 24 -13.996 -1.853 -8.782 1.00 1.03 C ATOM 328 NZ LYS A 24 -15.459 -2.024 -8.565 1.00 42.14 N ATOM 0 H LYS A 24 -12.016 0.243 -4.537 1.00 52.32 H new ATOM 0 HA LYS A 24 -10.584 -2.182 -4.585 1.00 50.43 H new ATOM 0 HB2 LYS A 24 -12.104 -2.759 -6.195 1.00 75.13 H new ATOM 0 HB3 LYS A 24 -12.943 -1.361 -5.554 1.00 75.13 H new ATOM 0 HG2 LYS A 24 -11.434 -0.119 -7.424 1.00 12.24 H new ATOM 0 HG3 LYS A 24 -11.534 -1.704 -8.165 1.00 12.24 H new ATOM 0 HD2 LYS A 24 -14.079 -0.534 -7.090 1.00 51.31 H new ATOM 0 HD3 LYS A 24 -13.411 0.198 -8.536 1.00 51.31 H new ATOM 0 HE2 LYS A 24 -13.806 -1.656 -9.837 1.00 1.03 H new ATOM 0 HE3 LYS A 24 -13.481 -2.781 -8.533 1.00 1.03 H new ATOM 0 HZ1 LYS A 24 -15.808 -2.807 -9.153 1.00 42.14 H new ATOM 0 HZ2 LYS A 24 -15.639 -2.237 -7.563 1.00 42.14 H new ATOM 0 HZ3 LYS A 24 -15.954 -1.147 -8.827 1.00 42.14 H new ATOM 338 N ASP A 25 -9.404 0.211 -6.448 1.00 34.23 N ATOM 339 CA ASP A 25 -8.288 0.606 -7.299 1.00 14.24 C ATOM 340 C ASP A 25 -7.099 1.066 -6.460 1.00 25.15 C ATOM 341 O ASP A 25 -6.045 1.408 -6.995 1.00 52.35 O ATOM 342 CB ASP A 25 -8.716 1.722 -8.254 1.00 64.34 C ATOM 343 CG ASP A 25 -9.911 1.332 -9.101 1.00 75.31 C ATOM 344 OD1 ASP A 25 -9.704 0.731 -10.176 1.00 1.10 O ATOM 345 OD2 ASP A 25 -11.053 1.628 -8.690 1.00 74.30 O ATOM 0 H ASP A 25 -9.988 0.985 -6.131 1.00 34.23 H new ATOM 0 HA ASP A 25 -7.984 -0.263 -7.882 1.00 14.24 H new ATOM 0 HB2 ASP A 25 -8.958 2.616 -7.679 1.00 64.34 H new ATOM 0 HB3 ASP A 25 -7.881 1.979 -8.906 1.00 64.34 H new ATOM 349 N TRP A 26 -7.279 1.073 -5.144 1.00 60.11 N ATOM 350 CA TRP A 26 -6.222 1.493 -4.231 1.00 21.31 C ATOM 351 C TRP A 26 -6.430 0.891 -2.845 1.00 45.21 C ATOM 352 O TRP A 26 -7.477 1.083 -2.226 1.00 21.30 O ATOM 353 CB TRP A 26 -6.177 3.018 -4.137 1.00 12.35 C ATOM 354 CG TRP A 26 -5.753 3.680 -5.414 1.00 24.52 C ATOM 355 CD1 TRP A 26 -6.517 3.870 -6.530 1.00 11.34 C ATOM 356 CD2 TRP A 26 -4.467 4.235 -5.706 1.00 61.33 C ATOM 357 NE1 TRP A 26 -5.782 4.511 -7.498 1.00 74.01 N ATOM 358 CE2 TRP A 26 -4.521 4.747 -7.016 1.00 32.15 C ATOM 359 CE3 TRP A 26 -3.275 4.352 -4.986 1.00 35.42 C ATOM 360 CZ2 TRP A 26 -3.429 5.363 -7.621 1.00 54.40 C ATOM 361 CZ3 TRP A 26 -2.191 4.963 -5.588 1.00 42.43 C ATOM 362 CH2 TRP A 26 -2.274 5.463 -6.894 1.00 44.21 C ATOM 0 H TRP A 26 -8.146 0.793 -4.686 1.00 60.11 H new ATOM 0 HA TRP A 26 -5.271 1.133 -4.624 1.00 21.31 H new ATOM 0 HB2 TRP A 26 -7.163 3.387 -3.855 1.00 12.35 H new ATOM 0 HB3 TRP A 26 -5.490 3.306 -3.341 1.00 12.35 H new ATOM 0 HD1 TRP A 26 -7.547 3.562 -6.636 1.00 11.34 H new ATOM 0 HE1 TRP A 26 -6.120 4.769 -8.425 1.00 74.01 H new ATOM 0 HE3 TRP A 26 -3.202 3.972 -3.978 1.00 35.42 H new ATOM 0 HZ2 TRP A 26 -3.491 5.748 -8.628 1.00 54.40 H new ATOM 0 HZ3 TRP A 26 -1.264 5.057 -5.042 1.00 42.43 H new ATOM 0 HH2 TRP A 26 -1.410 5.937 -7.336 1.00 44.21 H new ATOM 372 N TRP A 27 -5.428 0.166 -2.363 1.00 32.25 N ATOM 373 CA TRP A 27 -5.502 -0.463 -1.050 1.00 43.13 C ATOM 374 C TRP A 27 -4.607 0.259 -0.049 1.00 11.41 C ATOM 375 O TRP A 27 -3.381 0.163 -0.116 1.00 40.25 O ATOM 376 CB TRP A 27 -5.100 -1.936 -1.142 1.00 43.31 C ATOM 377 CG TRP A 27 -6.264 -2.857 -1.350 1.00 64.24 C ATOM 378 CD1 TRP A 27 -7.511 -2.517 -1.792 1.00 44.54 C ATOM 379 CD2 TRP A 27 -6.290 -4.270 -1.123 1.00 74.43 C ATOM 380 NE1 TRP A 27 -8.310 -3.633 -1.853 1.00 50.54 N ATOM 381 CE2 TRP A 27 -7.584 -4.722 -1.448 1.00 53.42 C ATOM 382 CE3 TRP A 27 -5.345 -5.199 -0.678 1.00 14.01 C ATOM 383 CZ2 TRP A 27 -7.954 -6.060 -1.341 1.00 42.30 C ATOM 384 CZ3 TRP A 27 -5.714 -6.526 -0.572 1.00 73.23 C ATOM 385 CH2 TRP A 27 -7.008 -6.947 -0.902 1.00 24.21 C ATOM 0 H TRP A 27 -4.554 -0.001 -2.862 1.00 32.25 H new ATOM 0 HA TRP A 27 -6.533 -0.397 -0.702 1.00 43.13 H new ATOM 0 HB2 TRP A 27 -4.395 -2.062 -1.963 1.00 43.31 H new ATOM 0 HB3 TRP A 27 -4.579 -2.221 -0.228 1.00 43.31 H new ATOM 0 HD1 TRP A 27 -7.823 -1.517 -2.055 1.00 44.54 H new ATOM 0 HE1 TRP A 27 -9.285 -3.648 -2.151 1.00 50.54 H new ATOM 0 HE3 TRP A 27 -4.344 -4.885 -0.422 1.00 14.01 H new ATOM 0 HZ2 TRP A 27 -8.952 -6.386 -1.595 1.00 42.30 H new ATOM 0 HZ3 TRP A 27 -4.992 -7.252 -0.228 1.00 73.23 H new ATOM 0 HH2 TRP A 27 -7.265 -7.992 -0.808 1.00 24.21 H new ATOM 395 N LYS A 28 -5.226 0.982 0.879 1.00 11.42 N ATOM 396 CA LYS A 28 -4.484 1.720 1.895 1.00 25.21 C ATOM 397 C LYS A 28 -3.610 0.781 2.720 1.00 35.13 C ATOM 398 O LYS A 28 -4.048 -0.295 3.126 1.00 50.23 O ATOM 399 CB LYS A 28 -5.449 2.473 2.813 1.00 3.02 C ATOM 400 CG LYS A 28 -4.829 3.687 3.483 1.00 63.53 C ATOM 401 CD LYS A 28 -5.619 4.110 4.711 1.00 72.12 C ATOM 402 CE LYS A 28 -5.287 5.536 5.121 1.00 5.50 C ATOM 403 NZ LYS A 28 -6.462 6.227 5.724 1.00 54.25 N ATOM 0 H LYS A 28 -6.240 1.073 0.948 1.00 11.42 H new ATOM 0 HA LYS A 28 -3.838 2.438 1.389 1.00 25.21 H new ATOM 0 HB2 LYS A 28 -6.315 2.791 2.233 1.00 3.02 H new ATOM 0 HB3 LYS A 28 -5.813 1.791 3.581 1.00 3.02 H new ATOM 0 HG2 LYS A 28 -3.802 3.461 3.770 1.00 63.53 H new ATOM 0 HG3 LYS A 28 -4.787 4.514 2.774 1.00 63.53 H new ATOM 0 HD2 LYS A 28 -6.686 4.028 4.505 1.00 72.12 H new ATOM 0 HD3 LYS A 28 -5.401 3.432 5.537 1.00 72.12 H new ATOM 0 HE2 LYS A 28 -4.465 5.526 5.836 1.00 5.50 H new ATOM 0 HE3 LYS A 28 -4.945 6.094 4.250 1.00 5.50 H new ATOM 0 HZ1 LYS A 28 -6.196 7.196 5.990 1.00 54.25 H new ATOM 0 HZ2 LYS A 28 -7.238 6.259 5.033 1.00 54.25 H new ATOM 0 HZ3 LYS A 28 -6.773 5.709 6.570 1.00 54.25 H new ATOM 413 N VAL A 29 -2.371 1.196 2.964 1.00 32.51 N ATOM 414 CA VAL A 29 -1.435 0.393 3.742 1.00 61.52 C ATOM 415 C VAL A 29 -0.520 1.276 4.582 1.00 5.10 C ATOM 416 O VAL A 29 -0.047 2.314 4.120 1.00 62.34 O ATOM 417 CB VAL A 29 -0.572 -0.503 2.833 1.00 23.42 C ATOM 418 CG1 VAL A 29 -1.450 -1.459 2.039 1.00 14.40 C ATOM 419 CG2 VAL A 29 0.281 0.346 1.904 1.00 2.42 C ATOM 0 H VAL A 29 -1.992 2.084 2.634 1.00 32.51 H new ATOM 0 HA VAL A 29 -2.032 -0.238 4.401 1.00 61.52 H new ATOM 0 HB VAL A 29 0.094 -1.095 3.461 1.00 23.42 H new ATOM 0 HG11 VAL A 29 -0.824 -2.084 1.402 1.00 14.40 H new ATOM 0 HG12 VAL A 29 -2.014 -2.090 2.726 1.00 14.40 H new ATOM 0 HG13 VAL A 29 -2.142 -0.888 1.419 1.00 14.40 H new ATOM 0 HG21 VAL A 29 0.884 -0.303 1.269 1.00 2.42 H new ATOM 0 HG22 VAL A 29 -0.365 0.965 1.281 1.00 2.42 H new ATOM 0 HG23 VAL A 29 0.936 0.986 2.495 1.00 2.42 H new ATOM 429 N GLU A 30 -0.274 0.856 5.819 1.00 43.15 N ATOM 430 CA GLU A 30 0.585 1.610 6.725 1.00 24.15 C ATOM 431 C GLU A 30 2.016 1.084 6.682 1.00 20.04 C ATOM 432 O GLU A 30 2.246 -0.102 6.444 1.00 41.43 O ATOM 433 CB GLU A 30 0.045 1.537 8.155 1.00 33.41 C ATOM 434 CG GLU A 30 1.039 2.005 9.205 1.00 62.21 C ATOM 435 CD GLU A 30 1.712 0.853 9.925 1.00 50.43 C ATOM 436 OE1 GLU A 30 2.227 -0.056 9.241 1.00 23.11 O ATOM 437 OE2 GLU A 30 1.726 0.861 11.174 1.00 23.11 O ATOM 0 H GLU A 30 -0.657 -0.002 6.217 1.00 43.15 H new ATOM 0 HA GLU A 30 0.589 2.650 6.399 1.00 24.15 H new ATOM 0 HB2 GLU A 30 -0.858 2.144 8.225 1.00 33.41 H new ATOM 0 HB3 GLU A 30 -0.244 0.509 8.373 1.00 33.41 H new ATOM 0 HG2 GLU A 30 1.799 2.625 8.730 1.00 62.21 H new ATOM 0 HG3 GLU A 30 0.525 2.633 9.933 1.00 62.21 H new ATOM 442 N VAL A 31 2.975 1.975 6.912 1.00 53.53 N ATOM 443 CA VAL A 31 4.384 1.601 6.900 1.00 14.54 C ATOM 444 C VAL A 31 5.083 2.048 8.180 1.00 24.51 C ATOM 445 O VAL A 31 6.021 2.842 8.142 1.00 3.03 O ATOM 446 CB VAL A 31 5.116 2.211 5.689 1.00 53.33 C ATOM 447 CG1 VAL A 31 6.610 1.936 5.775 1.00 31.14 C ATOM 448 CG2 VAL A 31 4.539 1.670 4.390 1.00 75.12 C ATOM 0 H VAL A 31 2.802 2.961 7.109 1.00 53.53 H new ATOM 0 HA VAL A 31 4.422 0.514 6.829 1.00 14.54 H new ATOM 0 HB VAL A 31 4.968 3.291 5.703 1.00 53.33 H new ATOM 0 HG11 VAL A 31 7.111 2.374 4.912 1.00 31.14 H new ATOM 0 HG12 VAL A 31 7.009 2.377 6.688 1.00 31.14 H new ATOM 0 HG13 VAL A 31 6.782 0.860 5.787 1.00 31.14 H new ATOM 0 HG21 VAL A 31 5.068 2.111 3.545 1.00 75.12 H new ATOM 0 HG22 VAL A 31 4.654 0.586 4.364 1.00 75.12 H new ATOM 0 HG23 VAL A 31 3.481 1.924 4.328 1.00 75.12 H new ATOM 458 N ASN A 32 4.618 1.530 9.312 1.00 23.24 N ATOM 459 CA ASN A 32 5.197 1.876 10.605 1.00 32.51 C ATOM 460 C ASN A 32 4.777 3.279 11.032 1.00 23.10 C ATOM 461 O ASN A 32 4.077 3.451 12.030 1.00 44.21 O ATOM 462 CB ASN A 32 6.723 1.785 10.544 1.00 31.12 C ATOM 463 CG ASN A 32 7.200 0.555 9.796 1.00 13.24 C ATOM 464 OD1 ASN A 32 7.338 -0.522 10.374 1.00 32.11 O ATOM 465 ND2 ASN A 32 7.454 0.712 8.501 1.00 72.14 N ATOM 0 H ASN A 32 3.842 0.869 9.360 1.00 23.24 H new ATOM 0 HA ASN A 32 4.826 1.165 11.343 1.00 32.51 H new ATOM 0 HB2 ASN A 32 7.118 2.678 10.059 1.00 31.12 H new ATOM 0 HB3 ASN A 32 7.124 1.769 11.557 1.00 31.12 H new ATOM 0 HD21 ASN A 32 7.777 -0.080 7.945 1.00 72.14 H new ATOM 0 HD22 ASN A 32 7.325 1.624 8.063 1.00 72.14 H new ATOM 471 N ASP A 33 5.208 4.277 10.270 1.00 50.31 N ATOM 472 CA ASP A 33 4.875 5.665 10.568 1.00 50.02 C ATOM 473 C ASP A 33 4.277 6.355 9.346 1.00 15.30 C ATOM 474 O ASP A 33 3.525 7.321 9.472 1.00 24.01 O ATOM 475 CB ASP A 33 6.118 6.421 11.038 1.00 52.33 C ATOM 476 CG ASP A 33 6.374 6.249 12.523 1.00 20.33 C ATOM 477 OD1 ASP A 33 5.393 6.232 13.296 1.00 62.04 O ATOM 478 OD2 ASP A 33 7.554 6.129 12.911 1.00 60.32 O ATOM 0 H ASP A 33 5.789 4.151 9.441 1.00 50.31 H new ATOM 0 HA ASP A 33 4.133 5.671 11.366 1.00 50.02 H new ATOM 0 HB2 ASP A 33 6.986 6.070 10.480 1.00 52.33 H new ATOM 0 HB3 ASP A 33 6.002 7.481 10.813 1.00 52.33 H new ATOM 482 N ARG A 34 4.619 5.854 8.163 1.00 52.00 N ATOM 483 CA ARG A 34 4.118 6.424 6.918 1.00 70.33 C ATOM 484 C ARG A 34 2.977 5.581 6.356 1.00 31.23 C ATOM 485 O ARG A 34 3.124 4.376 6.152 1.00 54.45 O ATOM 486 CB ARG A 34 5.245 6.526 5.890 1.00 14.33 C ATOM 487 CG ARG A 34 6.504 5.774 6.289 1.00 15.31 C ATOM 488 CD ARG A 34 7.516 5.738 5.154 1.00 73.55 C ATOM 489 NE ARG A 34 8.852 5.377 5.623 1.00 30.55 N ATOM 490 CZ ARG A 34 9.909 5.283 4.824 1.00 11.03 C ATOM 491 NH1 ARG A 34 9.788 5.522 3.526 1.00 2.10 N ATOM 492 NH2 ARG A 34 11.092 4.949 5.324 1.00 43.45 N ATOM 0 H ARG A 34 5.241 5.055 8.041 1.00 52.00 H new ATOM 0 HA ARG A 34 3.738 7.423 7.131 1.00 70.33 H new ATOM 0 HB2 ARG A 34 4.889 6.141 4.934 1.00 14.33 H new ATOM 0 HB3 ARG A 34 5.492 7.577 5.738 1.00 14.33 H new ATOM 0 HG2 ARG A 34 6.952 6.249 7.162 1.00 15.31 H new ATOM 0 HG3 ARG A 34 6.244 4.756 6.579 1.00 15.31 H new ATOM 0 HD2 ARG A 34 7.190 5.021 4.400 1.00 73.55 H new ATOM 0 HD3 ARG A 34 7.553 6.714 4.670 1.00 73.55 H new ATOM 0 HE ARG A 34 8.980 5.187 6.617 1.00 30.55 H new ATOM 0 HH11 ARG A 34 8.881 5.779 3.137 1.00 2.10 H new ATOM 0 HH12 ARG A 34 10.602 5.449 2.916 1.00 2.10 H new ATOM 0 HH21 ARG A 34 11.190 4.764 6.322 1.00 43.45 H new ATOM 0 HH22 ARG A 34 11.903 4.877 4.710 1.00 43.45 H new ATOM 503 N GLN A 35 1.840 6.225 6.107 1.00 75.43 N ATOM 504 CA GLN A 35 0.674 5.533 5.569 1.00 12.34 C ATOM 505 C GLN A 35 0.090 6.294 4.384 1.00 3.15 C ATOM 506 O GLN A 35 0.599 7.345 3.996 1.00 12.24 O ATOM 507 CB GLN A 35 -0.389 5.363 6.655 1.00 21.23 C ATOM 508 CG GLN A 35 0.155 5.504 8.068 1.00 22.33 C ATOM 509 CD GLN A 35 -0.940 5.692 9.099 1.00 31.31 C ATOM 510 OE1 GLN A 35 -0.701 6.215 10.187 1.00 41.40 O ATOM 511 NE2 GLN A 35 -2.151 5.265 8.761 1.00 72.03 N ATOM 0 H GLN A 35 1.702 7.223 6.269 1.00 75.43 H new ATOM 0 HA GLN A 35 0.992 4.549 5.225 1.00 12.34 H new ATOM 0 HB2 GLN A 35 -1.174 6.103 6.502 1.00 21.23 H new ATOM 0 HB3 GLN A 35 -0.851 4.381 6.549 1.00 21.23 H new ATOM 0 HG2 GLN A 35 0.737 4.617 8.319 1.00 22.33 H new ATOM 0 HG3 GLN A 35 0.836 6.354 8.108 1.00 22.33 H new ATOM 0 HE21 GLN A 35 -2.304 4.837 7.848 1.00 72.03 H new ATOM 0 HE22 GLN A 35 -2.928 5.365 9.414 1.00 72.03 H new ATOM 518 N GLY A 36 -0.982 5.756 3.811 1.00 45.54 N ATOM 519 CA GLY A 36 -1.618 6.398 2.675 1.00 25.52 C ATOM 520 C GLY A 36 -2.279 5.402 1.742 1.00 3.02 C ATOM 521 O GLY A 36 -2.402 4.221 2.069 1.00 4.53 O ATOM 0 H GLY A 36 -1.422 4.887 4.113 1.00 45.54 H new ATOM 0 HA2 GLY A 36 -2.365 7.107 3.033 1.00 25.52 H new ATOM 0 HA3 GLY A 36 -0.874 6.971 2.122 1.00 25.52 H new ATOM 525 N PHE A 37 -2.707 5.879 0.578 1.00 45.30 N ATOM 526 CA PHE A 37 -3.362 5.023 -0.404 1.00 13.12 C ATOM 527 C PHE A 37 -2.370 4.557 -1.467 1.00 60.13 C ATOM 528 O PHE A 37 -1.600 5.352 -2.006 1.00 25.01 O ATOM 529 CB PHE A 37 -4.523 5.767 -1.067 1.00 60.23 C ATOM 530 CG PHE A 37 -5.698 5.976 -0.155 1.00 40.10 C ATOM 531 CD1 PHE A 37 -5.773 7.100 0.652 1.00 62.33 C ATOM 532 CD2 PHE A 37 -6.727 5.051 -0.105 1.00 31.51 C ATOM 533 CE1 PHE A 37 -6.854 7.296 1.492 1.00 52.33 C ATOM 534 CE2 PHE A 37 -7.811 5.242 0.731 1.00 72.05 C ATOM 535 CZ PHE A 37 -7.872 6.365 1.533 1.00 25.11 C ATOM 0 H PHE A 37 -2.612 6.853 0.292 1.00 45.30 H new ATOM 0 HA PHE A 37 -3.750 4.147 0.116 1.00 13.12 H new ATOM 0 HB2 PHE A 37 -4.170 6.736 -1.419 1.00 60.23 H new ATOM 0 HB3 PHE A 37 -4.849 5.208 -1.944 1.00 60.23 H new ATOM 0 HD1 PHE A 37 -4.978 7.831 0.625 1.00 62.33 H new ATOM 0 HD2 PHE A 37 -6.682 4.169 -0.727 1.00 31.51 H new ATOM 0 HE1 PHE A 37 -6.902 8.177 2.115 1.00 52.33 H new ATOM 0 HE2 PHE A 37 -8.609 4.515 0.757 1.00 72.05 H new ATOM 0 HZ PHE A 37 -8.715 6.514 2.191 1.00 25.11 H new ATOM 544 N VAL A 38 -2.394 3.261 -1.762 1.00 74.13 N ATOM 545 CA VAL A 38 -1.497 2.687 -2.758 1.00 21.13 C ATOM 546 C VAL A 38 -2.245 1.734 -3.685 1.00 14.23 C ATOM 547 O VAL A 38 -3.285 1.178 -3.335 1.00 23.22 O ATOM 548 CB VAL A 38 -0.330 1.933 -2.096 1.00 22.44 C ATOM 549 CG1 VAL A 38 0.731 2.908 -1.612 1.00 13.22 C ATOM 550 CG2 VAL A 38 -0.835 1.071 -0.950 1.00 64.02 C ATOM 0 H VAL A 38 -3.025 2.589 -1.325 1.00 74.13 H new ATOM 0 HA VAL A 38 -1.097 3.517 -3.340 1.00 21.13 H new ATOM 0 HB VAL A 38 0.125 1.279 -2.840 1.00 22.44 H new ATOM 0 HG11 VAL A 38 1.548 2.356 -1.147 1.00 13.22 H new ATOM 0 HG12 VAL A 38 1.114 3.478 -2.458 1.00 13.22 H new ATOM 0 HG13 VAL A 38 0.293 3.590 -0.883 1.00 13.22 H new ATOM 0 HG21 VAL A 38 0.003 0.545 -0.493 1.00 64.02 H new ATOM 0 HG22 VAL A 38 -1.316 1.703 -0.204 1.00 64.02 H new ATOM 0 HG23 VAL A 38 -1.555 0.346 -1.330 1.00 64.02 H new ATOM 560 N PRO A 39 -1.702 1.540 -4.896 1.00 32.21 N ATOM 561 CA PRO A 39 -2.299 0.652 -5.898 1.00 31.15 C ATOM 562 C PRO A 39 -2.196 -0.818 -5.507 1.00 54.34 C ATOM 563 O PRO A 39 -1.098 -1.366 -5.402 1.00 60.01 O ATOM 564 CB PRO A 39 -1.473 0.930 -7.156 1.00 51.42 C ATOM 565 CG PRO A 39 -0.161 1.419 -6.647 1.00 73.53 C ATOM 566 CD PRO A 39 -0.462 2.170 -5.379 1.00 35.52 C ATOM 0 HA PRO A 39 -3.366 0.838 -6.022 1.00 31.15 H new ATOM 0 HB2 PRO A 39 -1.353 0.029 -7.758 1.00 51.42 H new ATOM 0 HB3 PRO A 39 -1.955 1.675 -7.789 1.00 51.42 H new ATOM 0 HG2 PRO A 39 0.518 0.588 -6.456 1.00 73.53 H new ATOM 0 HG3 PRO A 39 0.324 2.066 -7.378 1.00 73.53 H new ATOM 0 HD2 PRO A 39 0.346 2.074 -4.654 1.00 35.52 H new ATOM 0 HD3 PRO A 39 -0.599 3.235 -5.566 1.00 35.52 H new ATOM 571 N ALA A 40 -3.344 -1.451 -5.292 1.00 44.25 N ATOM 572 CA ALA A 40 -3.381 -2.859 -4.914 1.00 4.25 C ATOM 573 C ALA A 40 -2.608 -3.715 -5.911 1.00 50.40 C ATOM 574 O ALA A 40 -2.218 -4.841 -5.604 1.00 21.23 O ATOM 575 CB ALA A 40 -4.822 -3.338 -4.809 1.00 73.13 C ATOM 0 H ALA A 40 -4.261 -1.012 -5.373 1.00 44.25 H new ATOM 0 HA ALA A 40 -2.903 -2.962 -3.940 1.00 4.25 H new ATOM 0 HB1 ALA A 40 -4.836 -4.391 -4.526 1.00 73.13 H new ATOM 0 HB2 ALA A 40 -5.346 -2.752 -4.054 1.00 73.13 H new ATOM 0 HB3 ALA A 40 -5.318 -3.214 -5.772 1.00 73.13 H new ATOM 581 N ALA A 41 -2.390 -3.174 -7.105 1.00 22.03 N ATOM 582 CA ALA A 41 -1.663 -3.888 -8.146 1.00 33.31 C ATOM 583 C ALA A 41 -0.205 -4.102 -7.750 1.00 24.14 C ATOM 584 O ALA A 41 0.459 -5.006 -8.256 1.00 72.02 O ATOM 585 CB ALA A 41 -1.748 -3.132 -9.464 1.00 11.25 C ATOM 0 H ALA A 41 -2.707 -2.243 -7.375 1.00 22.03 H new ATOM 0 HA ALA A 41 -2.126 -4.867 -8.271 1.00 33.31 H new ATOM 0 HB1 ALA A 41 -1.200 -3.678 -10.232 1.00 11.25 H new ATOM 0 HB2 ALA A 41 -2.792 -3.036 -9.762 1.00 11.25 H new ATOM 0 HB3 ALA A 41 -1.313 -2.140 -9.343 1.00 11.25 H new ATOM 591 N TYR A 42 0.285 -3.263 -6.844 1.00 21.04 N ATOM 592 CA TYR A 42 1.665 -3.358 -6.382 1.00 33.43 C ATOM 593 C TYR A 42 1.757 -4.195 -5.110 1.00 22.31 C ATOM 594 O TYR A 42 2.849 -4.533 -4.654 1.00 61.41 O ATOM 595 CB TYR A 42 2.238 -1.962 -6.131 1.00 24.53 C ATOM 596 CG TYR A 42 2.533 -1.191 -7.398 1.00 71.32 C ATOM 597 CD1 TYR A 42 1.582 -1.084 -8.406 1.00 41.41 C ATOM 598 CD2 TYR A 42 3.762 -0.571 -7.587 1.00 21.13 C ATOM 599 CE1 TYR A 42 1.847 -0.381 -9.565 1.00 31.41 C ATOM 600 CE2 TYR A 42 4.035 0.135 -8.743 1.00 64.42 C ATOM 601 CZ TYR A 42 3.074 0.227 -9.729 1.00 34.33 C ATOM 602 OH TYR A 42 3.344 0.928 -10.882 1.00 23.23 O ATOM 0 H TYR A 42 -0.253 -2.510 -6.415 1.00 21.04 H new ATOM 0 HA TYR A 42 2.249 -3.848 -7.160 1.00 33.43 H new ATOM 0 HB2 TYR A 42 1.533 -1.393 -5.525 1.00 24.53 H new ATOM 0 HB3 TYR A 42 3.156 -2.054 -5.550 1.00 24.53 H new ATOM 0 HD1 TYR A 42 0.620 -1.558 -8.281 1.00 41.41 H new ATOM 0 HD2 TYR A 42 4.516 -0.642 -6.818 1.00 21.13 H new ATOM 0 HE1 TYR A 42 1.097 -0.308 -10.339 1.00 31.41 H new ATOM 0 HE2 TYR A 42 4.995 0.612 -8.874 1.00 64.42 H new ATOM 0 HH TYR A 42 3.666 0.311 -11.572 1.00 23.23 H new ATOM 611 N VAL A 43 0.602 -4.526 -4.542 1.00 32.12 N ATOM 612 CA VAL A 43 0.550 -5.325 -3.324 1.00 73.15 C ATOM 613 C VAL A 43 -0.394 -6.512 -3.485 1.00 52.24 C ATOM 614 O VAL A 43 -0.936 -6.747 -4.565 1.00 42.20 O ATOM 615 CB VAL A 43 0.096 -4.481 -2.119 1.00 44.15 C ATOM 616 CG1 VAL A 43 1.171 -3.475 -1.735 1.00 21.45 C ATOM 617 CG2 VAL A 43 -1.219 -3.779 -2.426 1.00 52.54 C ATOM 0 H VAL A 43 -0.311 -4.253 -4.906 1.00 32.12 H new ATOM 0 HA VAL A 43 1.560 -5.691 -3.142 1.00 73.15 H new ATOM 0 HB VAL A 43 -0.063 -5.147 -1.271 1.00 44.15 H new ATOM 0 HG11 VAL A 43 0.832 -2.888 -0.882 1.00 21.45 H new ATOM 0 HG12 VAL A 43 2.087 -4.004 -1.471 1.00 21.45 H new ATOM 0 HG13 VAL A 43 1.366 -2.811 -2.577 1.00 21.45 H new ATOM 0 HG21 VAL A 43 -1.525 -3.187 -1.564 1.00 52.54 H new ATOM 0 HG22 VAL A 43 -1.089 -3.125 -3.288 1.00 52.54 H new ATOM 0 HG23 VAL A 43 -1.985 -4.522 -2.647 1.00 52.54 H new ATOM 627 N LYS A 44 -0.587 -7.258 -2.402 1.00 33.02 N ATOM 628 CA LYS A 44 -1.466 -8.420 -2.421 1.00 45.13 C ATOM 629 C LYS A 44 -1.599 -9.024 -1.026 1.00 14.02 C ATOM 630 O LYS A 44 -0.702 -8.890 -0.192 1.00 22.25 O ATOM 631 CB LYS A 44 -0.935 -9.473 -3.395 1.00 15.24 C ATOM 632 CG LYS A 44 -1.913 -10.605 -3.661 1.00 55.21 C ATOM 633 CD LYS A 44 -1.323 -11.642 -4.602 1.00 42.41 C ATOM 634 CE LYS A 44 0.068 -12.070 -4.159 1.00 3.20 C ATOM 635 NZ LYS A 44 0.445 -13.397 -4.718 1.00 4.23 N ATOM 0 H LYS A 44 -0.146 -7.078 -1.500 1.00 33.02 H new ATOM 0 HA LYS A 44 -2.451 -8.093 -2.753 1.00 45.13 H new ATOM 0 HB2 LYS A 44 -0.687 -8.989 -4.340 1.00 15.24 H new ATOM 0 HB3 LYS A 44 -0.010 -9.890 -2.997 1.00 15.24 H new ATOM 0 HG2 LYS A 44 -2.186 -11.081 -2.719 1.00 55.21 H new ATOM 0 HG3 LYS A 44 -2.830 -10.202 -4.091 1.00 55.21 H new ATOM 0 HD2 LYS A 44 -1.977 -12.513 -4.642 1.00 42.41 H new ATOM 0 HD3 LYS A 44 -1.275 -11.233 -5.611 1.00 42.41 H new ATOM 0 HE2 LYS A 44 0.796 -11.323 -4.476 1.00 3.20 H new ATOM 0 HE3 LYS A 44 0.106 -12.111 -3.070 1.00 3.20 H new ATOM 0 HZ1 LYS A 44 1.399 -13.652 -4.393 1.00 4.23 H new ATOM 0 HZ2 LYS A 44 -0.235 -14.115 -4.396 1.00 4.23 H new ATOM 0 HZ3 LYS A 44 0.434 -13.352 -5.757 1.00 4.23 H new ATOM 645 N LYS A 45 -2.721 -9.691 -0.780 1.00 45.25 N ATOM 646 CA LYS A 45 -2.970 -10.319 0.513 1.00 3.32 C ATOM 647 C LYS A 45 -2.056 -11.523 0.718 1.00 23.11 C ATOM 648 O LYS A 45 -1.717 -12.227 -0.234 1.00 54.21 O ATOM 649 CB LYS A 45 -4.434 -10.752 0.620 1.00 32.23 C ATOM 650 CG LYS A 45 -5.268 -9.858 1.520 1.00 62.53 C ATOM 651 CD LYS A 45 -6.513 -10.574 2.018 1.00 3.12 C ATOM 652 CE LYS A 45 -7.745 -10.165 1.226 1.00 4.33 C ATOM 653 NZ LYS A 45 -8.550 -11.344 0.802 1.00 14.42 N ATOM 0 H LYS A 45 -3.473 -9.811 -1.459 1.00 45.25 H new ATOM 0 HA LYS A 45 -2.757 -9.586 1.292 1.00 3.32 H new ATOM 0 HB2 LYS A 45 -4.875 -10.763 -0.377 1.00 32.23 H new ATOM 0 HB3 LYS A 45 -4.475 -11.774 0.998 1.00 32.23 H new ATOM 0 HG2 LYS A 45 -4.668 -9.535 2.371 1.00 62.53 H new ATOM 0 HG3 LYS A 45 -5.557 -8.960 0.975 1.00 62.53 H new ATOM 0 HD2 LYS A 45 -6.370 -11.652 1.940 1.00 3.12 H new ATOM 0 HD3 LYS A 45 -6.666 -10.349 3.073 1.00 3.12 H new ATOM 0 HE2 LYS A 45 -8.363 -9.503 1.832 1.00 4.33 H new ATOM 0 HE3 LYS A 45 -7.439 -9.599 0.346 1.00 4.33 H new ATOM 0 HZ1 LYS A 45 -9.381 -11.022 0.265 1.00 14.42 H new ATOM 0 HZ2 LYS A 45 -7.969 -11.964 0.202 1.00 14.42 H new ATOM 0 HZ3 LYS A 45 -8.864 -11.871 1.642 1.00 14.42 H new ATOM 663 N LEU A 46 -1.664 -11.757 1.965 1.00 54.55 N ATOM 664 CA LEU A 46 -0.791 -12.878 2.295 1.00 41.14 C ATOM 665 C LEU A 46 -1.552 -13.952 3.065 1.00 33.32 C ATOM 666 O LEU A 46 -2.709 -13.760 3.439 1.00 51.34 O ATOM 667 CB LEU A 46 0.404 -12.394 3.119 1.00 41.05 C ATOM 668 CG LEU A 46 1.431 -11.541 2.376 1.00 54.23 C ATOM 669 CD1 LEU A 46 2.378 -10.868 3.358 1.00 75.20 C ATOM 670 CD2 LEU A 46 2.209 -12.390 1.380 1.00 61.45 C ATOM 0 H LEU A 46 -1.937 -11.185 2.765 1.00 54.55 H new ATOM 0 HA LEU A 46 -0.430 -13.312 1.363 1.00 41.14 H new ATOM 0 HB2 LEU A 46 0.027 -11.819 3.965 1.00 41.05 H new ATOM 0 HB3 LEU A 46 0.914 -13.266 3.529 1.00 41.05 H new ATOM 0 HG LEU A 46 0.899 -10.765 1.826 1.00 54.23 H new ATOM 0 HD11 LEU A 46 3.102 -10.265 2.810 1.00 75.20 H new ATOM 0 HD12 LEU A 46 1.809 -10.228 4.032 1.00 75.20 H new ATOM 0 HD13 LEU A 46 2.903 -11.628 3.937 1.00 75.20 H new ATOM 0 HD21 LEU A 46 2.936 -11.766 0.860 1.00 61.45 H new ATOM 0 HD22 LEU A 46 2.729 -13.188 1.910 1.00 61.45 H new ATOM 0 HD23 LEU A 46 1.520 -12.825 0.656 1.00 61.45 H new ATOM 681 N ASP A 47 -0.895 -15.083 3.297 1.00 61.25 N ATOM 682 CA ASP A 47 -1.508 -16.189 4.025 1.00 11.34 C ATOM 683 C ASP A 47 -1.281 -16.043 5.527 1.00 20.11 C ATOM 684 O ASP A 47 -0.205 -16.355 6.035 1.00 33.24 O ATOM 685 CB ASP A 47 -0.943 -17.523 3.538 1.00 65.21 C ATOM 686 CG ASP A 47 -1.544 -17.959 2.216 1.00 22.12 C ATOM 687 OD1 ASP A 47 -2.786 -18.049 2.130 1.00 41.31 O ATOM 688 OD2 ASP A 47 -0.771 -18.210 1.267 1.00 50.20 O ATOM 0 H ASP A 47 0.062 -15.259 2.992 1.00 61.25 H new ATOM 0 HA ASP A 47 -2.581 -16.167 3.834 1.00 11.34 H new ATOM 0 HB2 ASP A 47 0.139 -17.439 3.432 1.00 65.21 H new ATOM 0 HB3 ASP A 47 -1.131 -18.290 4.290 1.00 65.21 H new ATOM 692 N SER A 48 -2.303 -15.565 6.231 1.00 53.24 N ATOM 693 CA SER A 48 -2.213 -15.373 7.674 1.00 31.43 C ATOM 694 C SER A 48 -3.187 -16.292 8.405 1.00 1.23 C ATOM 695 O SER A 48 -4.333 -15.924 8.660 1.00 60.10 O ATOM 696 CB SER A 48 -2.500 -13.915 8.035 1.00 25.14 C ATOM 697 OG SER A 48 -3.834 -13.563 7.709 1.00 54.34 O ATOM 0 H SER A 48 -3.202 -15.304 5.826 1.00 53.24 H new ATOM 0 HA SER A 48 -1.199 -15.624 7.987 1.00 31.43 H new ATOM 0 HB2 SER A 48 -2.330 -13.760 9.100 1.00 25.14 H new ATOM 0 HB3 SER A 48 -1.808 -13.262 7.503 1.00 25.14 H new ATOM 0 HG SER A 48 -4.449 -14.225 8.088 1.00 54.34 H new ATOM 702 N GLY A 49 -2.721 -17.492 8.741 1.00 40.11 N ATOM 703 CA GLY A 49 -3.563 -18.445 9.440 1.00 14.22 C ATOM 704 C GLY A 49 -3.746 -18.093 10.903 1.00 71.22 C ATOM 705 O GLY A 49 -3.602 -18.948 11.778 1.00 42.22 O ATOM 0 H GLY A 49 -1.776 -17.820 8.542 1.00 40.11 H new ATOM 0 HA2 GLY A 49 -4.538 -18.488 8.955 1.00 14.22 H new ATOM 0 HA3 GLY A 49 -3.124 -19.440 9.361 1.00 14.22 H new ATOM 709 N THR A 50 -4.064 -16.831 11.171 1.00 42.11 N ATOM 710 CA THR A 50 -4.264 -16.367 12.538 1.00 64.15 C ATOM 711 C THR A 50 -5.423 -15.380 12.620 1.00 63.54 C ATOM 712 O THR A 50 -6.164 -15.359 13.601 1.00 44.31 O ATOM 713 CB THR A 50 -2.995 -15.697 13.097 1.00 34.14 C ATOM 714 OG1 THR A 50 -2.818 -14.408 12.500 1.00 5.20 O ATOM 715 CG2 THR A 50 -1.767 -16.557 12.828 1.00 44.33 C ATOM 0 H THR A 50 -4.189 -16.111 10.459 1.00 42.11 H new ATOM 0 HA THR A 50 -4.495 -17.247 13.138 1.00 64.15 H new ATOM 0 HB THR A 50 -3.114 -15.585 14.175 1.00 34.14 H new ATOM 0 HG1 THR A 50 -1.935 -14.056 12.737 1.00 5.20 H new ATOM 0 HG21 THR A 50 -0.882 -16.064 13.231 1.00 44.33 H new ATOM 0 HG22 THR A 50 -1.891 -17.528 13.306 1.00 44.33 H new ATOM 0 HG23 THR A 50 -1.647 -16.694 11.753 1.00 44.33 H new ATOM 723 N GLY A 51 -5.575 -14.564 11.581 1.00 72.15 N ATOM 724 CA GLY A 51 -6.647 -13.587 11.556 1.00 13.14 C ATOM 725 C GLY A 51 -6.131 -12.164 11.471 1.00 54.11 C ATOM 726 O GLY A 51 -6.767 -11.234 11.967 1.00 2.12 O ATOM 0 H GLY A 51 -4.975 -14.563 10.756 1.00 72.15 H new ATOM 0 HA2 GLY A 51 -7.297 -13.786 10.704 1.00 13.14 H new ATOM 0 HA3 GLY A 51 -7.256 -13.697 12.453 1.00 13.14 H new ATOM 730 N LYS A 52 -4.974 -11.992 10.841 1.00 33.31 N ATOM 731 CA LYS A 52 -4.371 -10.673 10.692 1.00 2.41 C ATOM 732 C LYS A 52 -4.579 -10.136 9.280 1.00 54.13 C ATOM 733 O LYS A 52 -4.791 -10.901 8.341 1.00 23.51 O ATOM 734 CB LYS A 52 -2.875 -10.733 11.012 1.00 4.12 C ATOM 735 CG LYS A 52 -2.577 -10.979 12.481 1.00 33.41 C ATOM 736 CD LYS A 52 -1.884 -9.786 13.116 1.00 3.42 C ATOM 737 CE LYS A 52 -2.445 -9.488 14.498 1.00 53.20 C ATOM 738 NZ LYS A 52 -1.668 -10.168 15.571 1.00 20.14 N ATOM 0 H LYS A 52 -4.434 -12.751 10.425 1.00 33.31 H new ATOM 0 HA LYS A 52 -4.859 -9.997 11.394 1.00 2.41 H new ATOM 0 HB2 LYS A 52 -2.417 -11.525 10.419 1.00 4.12 H new ATOM 0 HB3 LYS A 52 -2.409 -9.796 10.707 1.00 4.12 H new ATOM 0 HG2 LYS A 52 -3.506 -11.186 13.012 1.00 33.41 H new ATOM 0 HG3 LYS A 52 -1.948 -11.863 12.583 1.00 33.41 H new ATOM 0 HD2 LYS A 52 -0.814 -9.982 13.191 1.00 3.42 H new ATOM 0 HD3 LYS A 52 -2.004 -8.911 12.477 1.00 3.42 H new ATOM 0 HE2 LYS A 52 -2.435 -8.412 14.669 1.00 53.20 H new ATOM 0 HE3 LYS A 52 -3.486 -9.809 14.544 1.00 53.20 H new ATOM 0 HZ1 LYS A 52 -2.082 -9.940 16.497 1.00 20.14 H new ATOM 0 HZ2 LYS A 52 -1.698 -11.197 15.422 1.00 20.14 H new ATOM 0 HZ3 LYS A 52 -0.680 -9.843 15.544 1.00 20.14 H new ATOM 748 N GLU A 53 -4.514 -8.816 9.138 1.00 51.44 N ATOM 749 CA GLU A 53 -4.695 -8.178 7.840 1.00 35.34 C ATOM 750 C GLU A 53 -3.377 -7.600 7.329 1.00 25.31 C ATOM 751 O GLU A 53 -3.032 -6.456 7.626 1.00 10.40 O ATOM 752 CB GLU A 53 -5.748 -7.071 7.931 1.00 70.33 C ATOM 753 CG GLU A 53 -6.933 -7.432 8.810 1.00 25.23 C ATOM 754 CD GLU A 53 -8.203 -7.661 8.011 1.00 61.35 C ATOM 755 OE1 GLU A 53 -8.943 -6.683 7.780 1.00 10.02 O ATOM 756 OE2 GLU A 53 -8.455 -8.820 7.618 1.00 72.12 O ATOM 0 H GLU A 53 -4.337 -8.168 9.906 1.00 51.44 H new ATOM 0 HA GLU A 53 -5.037 -8.937 7.137 1.00 35.34 H new ATOM 0 HB2 GLU A 53 -5.280 -6.166 8.319 1.00 70.33 H new ATOM 0 HB3 GLU A 53 -6.107 -6.839 6.928 1.00 70.33 H new ATOM 0 HG2 GLU A 53 -6.698 -8.332 9.378 1.00 25.23 H new ATOM 0 HG3 GLU A 53 -7.102 -6.633 9.533 1.00 25.23 H new ATOM 761 N LEU A 54 -2.647 -8.399 6.560 1.00 33.34 N ATOM 762 CA LEU A 54 -1.367 -7.969 6.006 1.00 44.45 C ATOM 763 C LEU A 54 -1.366 -8.080 4.486 1.00 53.33 C ATOM 764 O LEU A 54 -2.113 -8.871 3.910 1.00 73.04 O ATOM 765 CB LEU A 54 -0.229 -8.806 6.593 1.00 1.20 C ATOM 766 CG LEU A 54 -0.600 -10.218 7.047 1.00 43.32 C ATOM 767 CD1 LEU A 54 -1.246 -10.993 5.910 1.00 12.34 C ATOM 768 CD2 LEU A 54 0.628 -10.952 7.565 1.00 14.01 C ATOM 0 H LEU A 54 -2.919 -9.349 6.305 1.00 33.34 H new ATOM 0 HA LEU A 54 -1.216 -6.923 6.274 1.00 44.45 H new ATOM 0 HB2 LEU A 54 0.562 -8.882 5.847 1.00 1.20 H new ATOM 0 HB3 LEU A 54 0.188 -8.269 7.445 1.00 1.20 H new ATOM 0 HG LEU A 54 -1.321 -10.139 7.860 1.00 43.32 H new ATOM 0 HD11 LEU A 54 -1.503 -11.995 6.253 1.00 12.34 H new ATOM 0 HD12 LEU A 54 -2.150 -10.478 5.586 1.00 12.34 H new ATOM 0 HD13 LEU A 54 -0.549 -11.063 5.075 1.00 12.34 H new ATOM 0 HD21 LEU A 54 0.345 -11.955 7.884 1.00 14.01 H new ATOM 0 HD22 LEU A 54 1.373 -11.020 6.772 1.00 14.01 H new ATOM 0 HD23 LEU A 54 1.047 -10.407 8.411 1.00 14.01 H new ATOM 779 N VAL A 55 -0.519 -7.284 3.840 1.00 62.51 N ATOM 780 CA VAL A 55 -0.417 -7.296 2.386 1.00 0.44 C ATOM 781 C VAL A 55 1.030 -7.132 1.935 1.00 74.54 C ATOM 782 O VAL A 55 1.665 -6.111 2.202 1.00 23.11 O ATOM 783 CB VAL A 55 -1.269 -6.178 1.755 1.00 34.14 C ATOM 784 CG1 VAL A 55 -2.656 -6.695 1.408 1.00 2.12 C ATOM 785 CG2 VAL A 55 -1.354 -4.981 2.690 1.00 31.05 C ATOM 0 H VAL A 55 0.106 -6.623 4.301 1.00 62.51 H new ATOM 0 HA VAL A 55 -0.792 -8.263 2.050 1.00 0.44 H new ATOM 0 HB VAL A 55 -0.788 -5.855 0.832 1.00 34.14 H new ATOM 0 HG11 VAL A 55 -3.243 -5.891 0.964 1.00 2.12 H new ATOM 0 HG12 VAL A 55 -2.571 -7.518 0.698 1.00 2.12 H new ATOM 0 HG13 VAL A 55 -3.150 -7.047 2.313 1.00 2.12 H new ATOM 0 HG21 VAL A 55 -1.959 -4.201 2.228 1.00 31.05 H new ATOM 0 HG22 VAL A 55 -1.812 -5.286 3.631 1.00 31.05 H new ATOM 0 HG23 VAL A 55 -0.352 -4.597 2.881 1.00 31.05 H new ATOM 795 N LEU A 56 1.548 -8.146 1.249 1.00 41.23 N ATOM 796 CA LEU A 56 2.921 -8.116 0.760 1.00 54.31 C ATOM 797 C LEU A 56 3.054 -7.176 -0.434 1.00 15.35 C ATOM 798 O LEU A 56 2.104 -6.982 -1.192 1.00 11.42 O ATOM 799 CB LEU A 56 3.375 -9.524 0.368 1.00 20.14 C ATOM 800 CG LEU A 56 4.862 -9.686 0.049 1.00 43.21 C ATOM 801 CD1 LEU A 56 5.206 -8.990 -1.259 1.00 51.52 C ATOM 802 CD2 LEU A 56 5.714 -9.139 1.186 1.00 42.03 C ATOM 0 H LEU A 56 1.037 -8.999 1.019 1.00 41.23 H new ATOM 0 HA LEU A 56 3.558 -7.746 1.563 1.00 54.31 H new ATOM 0 HB2 LEU A 56 3.122 -10.205 1.181 1.00 20.14 H new ATOM 0 HB3 LEU A 56 2.801 -9.840 -0.503 1.00 20.14 H new ATOM 0 HG LEU A 56 5.077 -10.749 -0.061 1.00 43.21 H new ATOM 0 HD11 LEU A 56 6.268 -9.116 -1.470 1.00 51.52 H new ATOM 0 HD12 LEU A 56 4.621 -9.427 -2.068 1.00 51.52 H new ATOM 0 HD13 LEU A 56 4.976 -7.928 -1.177 1.00 51.52 H new ATOM 0 HD21 LEU A 56 6.769 -9.263 0.942 1.00 42.03 H new ATOM 0 HD22 LEU A 56 5.496 -8.080 1.327 1.00 42.03 H new ATOM 0 HD23 LEU A 56 5.488 -9.682 2.104 1.00 42.03 H new ATOM 813 N ALA A 57 4.239 -6.597 -0.596 1.00 22.31 N ATOM 814 CA ALA A 57 4.497 -5.681 -1.701 1.00 53.13 C ATOM 815 C ALA A 57 5.096 -6.416 -2.895 1.00 4.14 C ATOM 816 O ALA A 57 6.236 -6.882 -2.843 1.00 25.25 O ATOM 817 CB ALA A 57 5.422 -4.560 -1.250 1.00 22.14 C ATOM 0 H ALA A 57 5.036 -6.746 0.024 1.00 22.31 H new ATOM 0 HA ALA A 57 3.546 -5.250 -2.014 1.00 53.13 H new ATOM 0 HB1 ALA A 57 5.607 -3.883 -2.084 1.00 22.14 H new ATOM 0 HB2 ALA A 57 4.956 -4.010 -0.433 1.00 22.14 H new ATOM 0 HB3 ALA A 57 6.367 -4.983 -0.910 1.00 22.14 H new ATOM 823 N LEU A 58 4.322 -6.517 -3.969 1.00 34.23 N ATOM 824 CA LEU A 58 4.777 -7.197 -5.178 1.00 64.43 C ATOM 825 C LEU A 58 5.720 -6.307 -5.982 1.00 65.45 C ATOM 826 O LEU A 58 6.740 -6.768 -6.491 1.00 15.11 O ATOM 827 CB LEU A 58 3.579 -7.600 -6.041 1.00 42.20 C ATOM 828 CG LEU A 58 2.373 -8.170 -5.292 1.00 41.45 C ATOM 829 CD1 LEU A 58 1.202 -8.369 -6.240 1.00 63.13 C ATOM 830 CD2 LEU A 58 2.739 -9.480 -4.610 1.00 14.23 C ATOM 0 H LEU A 58 3.377 -6.137 -4.029 1.00 34.23 H new ATOM 0 HA LEU A 58 5.320 -8.093 -4.878 1.00 64.43 H new ATOM 0 HB2 LEU A 58 3.252 -6.726 -6.604 1.00 42.20 H new ATOM 0 HB3 LEU A 58 3.913 -8.340 -6.768 1.00 42.20 H new ATOM 0 HG LEU A 58 2.075 -7.456 -4.525 1.00 41.45 H new ATOM 0 HD11 LEU A 58 0.353 -8.775 -5.690 1.00 63.13 H new ATOM 0 HD12 LEU A 58 0.924 -7.412 -6.681 1.00 63.13 H new ATOM 0 HD13 LEU A 58 1.488 -9.063 -7.030 1.00 63.13 H new ATOM 0 HD21 LEU A 58 1.869 -9.871 -4.082 1.00 14.23 H new ATOM 0 HD22 LEU A 58 3.063 -10.202 -5.359 1.00 14.23 H new ATOM 0 HD23 LEU A 58 3.547 -9.307 -3.899 1.00 14.23 H new ATOM 841 N TYR A 59 5.372 -5.029 -6.088 1.00 24.42 N ATOM 842 CA TYR A 59 6.187 -4.074 -6.829 1.00 25.50 C ATOM 843 C TYR A 59 6.588 -2.899 -5.944 1.00 32.24 C ATOM 844 O TYR A 59 6.076 -2.737 -4.837 1.00 62.22 O ATOM 845 CB TYR A 59 5.426 -3.567 -8.056 1.00 22.01 C ATOM 846 CG TYR A 59 4.566 -4.622 -8.714 1.00 13.14 C ATOM 847 CD1 TYR A 59 5.019 -5.929 -8.852 1.00 44.22 C ATOM 848 CD2 TYR A 59 3.303 -4.313 -9.201 1.00 3.24 C ATOM 849 CE1 TYR A 59 4.237 -6.896 -9.453 1.00 35.33 C ATOM 850 CE2 TYR A 59 2.514 -5.273 -9.803 1.00 11.01 C ATOM 851 CZ TYR A 59 2.985 -6.564 -9.928 1.00 41.15 C ATOM 852 OH TYR A 59 2.204 -7.523 -10.528 1.00 63.55 O ATOM 0 H TYR A 59 4.531 -4.631 -5.670 1.00 24.42 H new ATOM 0 HA TYR A 59 7.093 -4.584 -7.157 1.00 25.50 H new ATOM 0 HB2 TYR A 59 4.795 -2.728 -7.761 1.00 22.01 H new ATOM 0 HB3 TYR A 59 6.141 -3.187 -8.785 1.00 22.01 H new ATOM 0 HD1 TYR A 59 5.999 -6.193 -8.483 1.00 44.22 H new ATOM 0 HD2 TYR A 59 2.931 -3.303 -9.107 1.00 3.24 H new ATOM 0 HE1 TYR A 59 4.604 -7.907 -9.551 1.00 35.33 H new ATOM 0 HE2 TYR A 59 1.533 -5.015 -10.174 1.00 11.01 H new ATOM 0 HH TYR A 59 1.352 -7.125 -10.805 1.00 63.55 H new ATOM 861 N ASP A 60 7.510 -2.080 -6.441 1.00 24.34 N ATOM 862 CA ASP A 60 7.981 -0.917 -5.698 1.00 24.40 C ATOM 863 C ASP A 60 7.073 0.286 -5.938 1.00 35.44 C ATOM 864 O ASP A 60 6.684 0.565 -7.073 1.00 62.45 O ATOM 865 CB ASP A 60 9.417 -0.577 -6.098 1.00 71.34 C ATOM 866 CG ASP A 60 9.656 -0.737 -7.586 1.00 73.41 C ATOM 867 OD1 ASP A 60 8.970 -0.054 -8.374 1.00 61.24 O ATOM 868 OD2 ASP A 60 10.530 -1.547 -7.963 1.00 3.22 O ATOM 0 H ASP A 60 7.946 -2.201 -7.355 1.00 24.34 H new ATOM 0 HA ASP A 60 7.957 -1.161 -4.636 1.00 24.40 H new ATOM 0 HB2 ASP A 60 9.639 0.449 -5.805 1.00 71.34 H new ATOM 0 HB3 ASP A 60 10.106 -1.221 -5.551 1.00 71.34 H new ATOM 872 N TYR A 61 6.741 0.994 -4.865 1.00 22.32 N ATOM 873 CA TYR A 61 5.877 2.164 -4.960 1.00 42.43 C ATOM 874 C TYR A 61 6.292 3.230 -3.950 1.00 41.33 C ATOM 875 O TYR A 61 6.915 2.927 -2.932 1.00 61.11 O ATOM 876 CB TYR A 61 4.418 1.767 -4.728 1.00 14.34 C ATOM 877 CG TYR A 61 3.449 2.921 -4.858 1.00 1.33 C ATOM 878 CD1 TYR A 61 3.421 3.940 -3.915 1.00 11.44 C ATOM 879 CD2 TYR A 61 2.563 2.992 -5.926 1.00 34.53 C ATOM 880 CE1 TYR A 61 2.536 4.995 -4.030 1.00 10.20 C ATOM 881 CE2 TYR A 61 1.676 4.044 -6.050 1.00 13.20 C ATOM 882 CZ TYR A 61 1.666 5.043 -5.099 1.00 54.01 C ATOM 883 OH TYR A 61 0.785 6.094 -5.217 1.00 34.52 O ATOM 0 H TYR A 61 7.057 0.778 -3.919 1.00 22.32 H new ATOM 0 HA TYR A 61 5.979 2.579 -5.963 1.00 42.43 H new ATOM 0 HB2 TYR A 61 4.143 0.991 -5.442 1.00 14.34 H new ATOM 0 HB3 TYR A 61 4.322 1.333 -3.733 1.00 14.34 H new ATOM 0 HD1 TYR A 61 4.102 3.907 -3.078 1.00 11.44 H new ATOM 0 HD2 TYR A 61 2.568 2.211 -6.672 1.00 34.53 H new ATOM 0 HE1 TYR A 61 2.526 5.778 -3.286 1.00 10.20 H new ATOM 0 HE2 TYR A 61 0.994 4.084 -6.887 1.00 13.20 H new ATOM 0 HH TYR A 61 0.083 5.862 -5.860 1.00 34.52 H new ATOM 892 N GLN A 62 5.942 4.479 -4.239 1.00 32.50 N ATOM 893 CA GLN A 62 6.279 5.590 -3.357 1.00 24.22 C ATOM 894 C GLN A 62 5.173 6.641 -3.360 1.00 5.11 C ATOM 895 O GLN A 62 4.804 7.163 -4.412 1.00 42.25 O ATOM 896 CB GLN A 62 7.603 6.225 -3.784 1.00 12.23 C ATOM 897 CG GLN A 62 8.686 6.146 -2.721 1.00 74.15 C ATOM 898 CD GLN A 62 8.603 7.279 -1.717 1.00 73.23 C ATOM 899 OE1 GLN A 62 9.622 7.819 -1.288 1.00 53.35 O ATOM 900 NE2 GLN A 62 7.384 7.645 -1.336 1.00 74.54 N ATOM 0 H GLN A 62 5.425 4.747 -5.077 1.00 32.50 H new ATOM 0 HA GLN A 62 6.382 5.199 -2.345 1.00 24.22 H new ATOM 0 HB2 GLN A 62 7.957 5.732 -4.689 1.00 12.23 H new ATOM 0 HB3 GLN A 62 7.430 7.271 -4.037 1.00 12.23 H new ATOM 0 HG2 GLN A 62 8.606 5.194 -2.196 1.00 74.15 H new ATOM 0 HG3 GLN A 62 9.664 6.163 -3.202 1.00 74.15 H new ATOM 0 HE21 GLN A 62 6.566 7.170 -1.717 1.00 74.54 H new ATOM 0 HE22 GLN A 62 7.266 8.401 -0.662 1.00 74.54 H new ATOM 907 N GLU A 63 4.649 6.945 -2.178 1.00 70.15 N ATOM 908 CA GLU A 63 3.584 7.933 -2.045 1.00 73.20 C ATOM 909 C GLU A 63 4.051 9.128 -1.220 1.00 42.14 C ATOM 910 O GLU A 63 5.035 9.043 -0.484 1.00 63.32 O ATOM 911 CB GLU A 63 2.350 7.303 -1.397 1.00 75.50 C ATOM 912 CG GLU A 63 1.060 7.572 -2.153 1.00 3.51 C ATOM 913 CD GLU A 63 0.677 9.040 -2.148 1.00 34.14 C ATOM 914 OE1 GLU A 63 0.183 9.521 -1.108 1.00 2.01 O ATOM 915 OE2 GLU A 63 0.875 9.706 -3.186 1.00 3.03 O ATOM 0 H GLU A 63 4.944 6.522 -1.298 1.00 70.15 H new ATOM 0 HA GLU A 63 3.322 8.283 -3.044 1.00 73.20 H new ATOM 0 HB2 GLU A 63 2.499 6.226 -1.322 1.00 75.50 H new ATOM 0 HB3 GLU A 63 2.251 7.682 -0.380 1.00 75.50 H new ATOM 0 HG2 GLU A 63 1.169 7.232 -3.183 1.00 3.51 H new ATOM 0 HG3 GLU A 63 0.254 6.988 -1.708 1.00 3.51 H new ATOM 920 N SER A 64 3.338 10.244 -1.347 1.00 74.53 N ATOM 921 CA SER A 64 3.681 11.458 -0.617 1.00 71.43 C ATOM 922 C SER A 64 2.472 11.992 0.146 1.00 0.44 C ATOM 923 O SER A 64 1.514 12.482 -0.452 1.00 31.00 O ATOM 924 CB SER A 64 4.205 12.525 -1.578 1.00 12.51 C ATOM 925 OG SER A 64 4.716 13.641 -0.871 1.00 2.44 O ATOM 0 H SER A 64 2.519 10.331 -1.949 1.00 74.53 H new ATOM 0 HA SER A 64 4.463 11.213 0.102 1.00 71.43 H new ATOM 0 HB2 SER A 64 4.987 12.100 -2.207 1.00 12.51 H new ATOM 0 HB3 SER A 64 3.402 12.847 -2.241 1.00 12.51 H new ATOM 0 HG SER A 64 5.046 14.308 -1.508 1.00 2.44 H new ATOM 930 N GLY A 65 2.525 11.895 1.471 1.00 23.41 N ATOM 931 CA GLY A 65 1.429 12.372 2.293 1.00 44.43 C ATOM 932 C GLY A 65 0.119 11.681 1.973 1.00 11.43 C ATOM 933 O GLY A 65 -0.400 11.805 0.863 1.00 65.21 O ATOM 0 H GLY A 65 3.307 11.495 1.989 1.00 23.41 H new ATOM 0 HA2 GLY A 65 1.672 12.214 3.344 1.00 44.43 H new ATOM 0 HA3 GLY A 65 1.313 13.446 2.151 1.00 44.43 H new ATOM 937 N ASP A 66 -0.416 10.951 2.944 1.00 63.41 N ATOM 938 CA ASP A 66 -1.674 10.237 2.759 1.00 63.33 C ATOM 939 C ASP A 66 -2.634 11.042 1.890 1.00 34.44 C ATOM 940 O ASP A 66 -3.228 12.019 2.343 1.00 54.45 O ATOM 941 CB ASP A 66 -2.321 9.940 4.115 1.00 15.25 C ATOM 942 CG ASP A 66 -2.622 11.201 4.900 1.00 11.51 C ATOM 943 OD1 ASP A 66 -1.762 12.106 4.922 1.00 20.23 O ATOM 944 OD2 ASP A 66 -3.718 11.283 5.494 1.00 60.44 O ATOM 0 H ASP A 66 0.001 10.838 3.868 1.00 63.41 H new ATOM 0 HA ASP A 66 -1.458 9.296 2.254 1.00 63.33 H new ATOM 0 HB2 ASP A 66 -3.245 9.383 3.959 1.00 15.25 H new ATOM 0 HB3 ASP A 66 -1.658 9.301 4.699 1.00 15.25 H new ATOM 948 N ASN A 67 -2.781 10.625 0.637 1.00 13.23 N ATOM 949 CA ASN A 67 -3.667 11.308 -0.298 1.00 11.25 C ATOM 950 C ASN A 67 -4.709 10.348 -0.862 1.00 62.23 C ATOM 951 O ASN A 67 -4.440 9.161 -1.044 1.00 12.25 O ATOM 952 CB ASN A 67 -2.858 11.928 -1.440 1.00 33.20 C ATOM 953 CG ASN A 67 -1.894 12.993 -0.954 1.00 34.35 C ATOM 954 OD1 ASN A 67 -0.721 13.000 -1.327 1.00 55.15 O ATOM 955 ND2 ASN A 67 -2.386 13.899 -0.117 1.00 12.24 N ATOM 0 H ASN A 67 -2.298 9.817 0.245 1.00 13.23 H new ATOM 0 HA ASN A 67 -4.184 12.100 0.244 1.00 11.25 H new ATOM 0 HB2 ASN A 67 -2.301 11.145 -1.954 1.00 33.20 H new ATOM 0 HB3 ASN A 67 -3.540 12.365 -2.169 1.00 33.20 H new ATOM 0 HD21 ASN A 67 -1.785 14.640 0.244 1.00 12.24 H new ATOM 0 HD22 ASN A 67 -3.365 13.854 0.165 1.00 12.24 H new ATOM 961 N ALA A 68 -5.900 10.870 -1.136 1.00 74.42 N ATOM 962 CA ALA A 68 -6.982 10.059 -1.681 1.00 31.11 C ATOM 963 C ALA A 68 -6.684 9.639 -3.117 1.00 62.43 C ATOM 964 O ALA A 68 -6.128 10.400 -3.909 1.00 62.32 O ATOM 965 CB ALA A 68 -8.297 10.821 -1.615 1.00 25.42 C ATOM 0 H ALA A 68 -6.140 11.850 -0.990 1.00 74.42 H new ATOM 0 HA ALA A 68 -7.066 9.156 -1.076 1.00 31.11 H new ATOM 0 HB1 ALA A 68 -9.096 10.204 -2.025 1.00 25.42 H new ATOM 0 HB2 ALA A 68 -8.524 11.066 -0.577 1.00 25.42 H new ATOM 0 HB3 ALA A 68 -8.214 11.740 -2.195 1.00 25.42 H new ATOM 971 N PRO A 69 -7.061 8.398 -3.461 1.00 55.23 N ATOM 972 CA PRO A 69 -6.842 7.849 -4.803 1.00 3.42 C ATOM 973 C PRO A 69 -7.727 8.514 -5.852 1.00 43.13 C ATOM 974 O PRO A 69 -7.349 9.523 -6.448 1.00 72.43 O ATOM 975 CB PRO A 69 -7.216 6.373 -4.646 1.00 34.21 C ATOM 976 CG PRO A 69 -8.167 6.342 -3.500 1.00 52.13 C ATOM 977 CD PRO A 69 -7.727 7.436 -2.568 1.00 52.34 C ATOM 0 HA PRO A 69 -5.821 8.010 -5.149 1.00 3.42 H new ATOM 0 HB2 PRO A 69 -7.677 5.983 -5.553 1.00 34.21 H new ATOM 0 HB3 PRO A 69 -6.336 5.761 -4.447 1.00 34.21 H new ATOM 0 HG2 PRO A 69 -9.190 6.505 -3.838 1.00 52.13 H new ATOM 0 HG3 PRO A 69 -8.146 5.373 -3.002 1.00 52.13 H new ATOM 0 HD2 PRO A 69 -8.573 7.888 -2.051 1.00 52.34 H new ATOM 0 HD3 PRO A 69 -7.048 7.062 -1.802 1.00 52.34 H new ATOM 982 N SER A 70 -8.907 7.944 -6.072 1.00 34.43 N ATOM 983 CA SER A 70 -9.844 8.479 -7.052 1.00 65.31 C ATOM 984 C SER A 70 -9.396 8.146 -8.472 1.00 71.42 C ATOM 985 O SER A 70 -10.136 7.530 -9.241 1.00 71.05 O ATOM 986 CB SER A 70 -9.975 9.995 -6.889 1.00 74.32 C ATOM 987 OG SER A 70 -11.216 10.457 -7.393 1.00 33.22 O ATOM 0 H SER A 70 -9.237 7.111 -5.584 1.00 34.43 H new ATOM 0 HA SER A 70 -10.816 8.016 -6.879 1.00 65.31 H new ATOM 0 HB2 SER A 70 -9.886 10.260 -5.835 1.00 74.32 H new ATOM 0 HB3 SER A 70 -9.159 10.492 -7.413 1.00 74.32 H new ATOM 0 HG SER A 70 -11.276 11.428 -7.275 1.00 33.22 H new ATOM 992 N TYR A 71 -8.180 8.557 -8.813 1.00 43.20 N ATOM 993 CA TYR A 71 -7.632 8.306 -10.141 1.00 62.31 C ATOM 994 C TYR A 71 -7.175 6.856 -10.276 1.00 45.31 C ATOM 995 O TYR A 71 -7.154 6.107 -9.299 1.00 73.20 O ATOM 996 CB TYR A 71 -6.461 9.249 -10.420 1.00 42.44 C ATOM 997 CG TYR A 71 -5.451 9.309 -9.296 1.00 1.42 C ATOM 998 CD1 TYR A 71 -5.623 10.181 -8.227 1.00 61.42 C ATOM 999 CD2 TYR A 71 -4.325 8.497 -9.303 1.00 34.32 C ATOM 1000 CE1 TYR A 71 -4.703 10.239 -7.198 1.00 72.11 C ATOM 1001 CE2 TYR A 71 -3.400 8.548 -8.279 1.00 61.42 C ATOM 1002 CZ TYR A 71 -3.594 9.421 -7.228 1.00 12.33 C ATOM 1003 OH TYR A 71 -2.674 9.476 -6.207 1.00 63.54 O ATOM 0 H TYR A 71 -7.555 9.066 -8.188 1.00 43.20 H new ATOM 0 HA TYR A 71 -8.420 8.490 -10.872 1.00 62.31 H new ATOM 0 HB2 TYR A 71 -5.958 8.930 -11.333 1.00 42.44 H new ATOM 0 HB3 TYR A 71 -6.848 10.251 -10.603 1.00 42.44 H new ATOM 0 HD1 TYR A 71 -6.490 10.824 -8.201 1.00 61.42 H new ATOM 0 HD2 TYR A 71 -4.170 7.813 -10.124 1.00 34.32 H new ATOM 0 HE1 TYR A 71 -4.852 10.922 -6.374 1.00 72.11 H new ATOM 0 HE2 TYR A 71 -2.530 7.909 -8.301 1.00 61.42 H new ATOM 0 HH TYR A 71 -1.954 8.835 -6.381 1.00 63.54 H new ATOM 1012 N SER A 72 -6.811 6.469 -11.494 1.00 20.41 N ATOM 1013 CA SER A 72 -6.358 5.108 -11.760 1.00 43.53 C ATOM 1014 C SER A 72 -4.932 4.903 -11.257 1.00 21.10 C ATOM 1015 O SER A 72 -4.099 5.809 -11.289 1.00 73.42 O ATOM 1016 CB SER A 72 -6.431 4.806 -13.257 1.00 23.13 C ATOM 1017 OG SER A 72 -5.647 5.722 -14.001 1.00 54.24 O ATOM 0 H SER A 72 -6.821 7.078 -12.312 1.00 20.41 H new ATOM 0 HA SER A 72 -7.016 4.422 -11.227 1.00 43.53 H new ATOM 0 HB2 SER A 72 -6.083 3.790 -13.443 1.00 23.13 H new ATOM 0 HB3 SER A 72 -7.467 4.855 -13.591 1.00 23.13 H new ATOM 0 HG SER A 72 -5.709 5.506 -14.955 1.00 54.24 H new ATOM 1022 N PRO A 73 -4.644 3.683 -10.781 1.00 53.21 N ATOM 1023 CA PRO A 73 -3.318 3.329 -10.263 1.00 61.44 C ATOM 1024 C PRO A 73 -2.266 3.256 -11.363 1.00 30.41 C ATOM 1025 O PRO A 73 -2.573 3.042 -12.536 1.00 70.33 O ATOM 1026 CB PRO A 73 -3.539 1.947 -9.640 1.00 31.15 C ATOM 1027 CG PRO A 73 -4.707 1.384 -10.373 1.00 64.21 C ATOM 1028 CD PRO A 73 -5.588 2.554 -10.711 1.00 13.45 C ATOM 0 HA PRO A 73 -2.942 4.073 -9.561 1.00 61.44 H new ATOM 0 HB2 PRO A 73 -2.658 1.316 -9.754 1.00 31.15 H new ATOM 0 HB3 PRO A 73 -3.741 2.022 -8.571 1.00 31.15 H new ATOM 0 HG2 PRO A 73 -4.387 0.863 -11.275 1.00 64.21 H new ATOM 0 HG3 PRO A 73 -5.240 0.659 -9.759 1.00 64.21 H new ATOM 0 HD2 PRO A 73 -6.108 2.405 -11.658 1.00 13.45 H new ATOM 0 HD3 PRO A 73 -6.352 2.715 -9.950 1.00 13.45 H new ATOM 1033 N PRO A 74 -0.993 3.436 -10.980 1.00 44.22 N ATOM 1034 CA PRO A 74 0.131 3.393 -11.919 1.00 0.25 C ATOM 1035 C PRO A 74 0.388 1.989 -12.453 1.00 73.42 C ATOM 1036 O PRO A 74 0.089 0.987 -11.801 1.00 30.14 O ATOM 1037 CB PRO A 74 1.316 3.872 -11.077 1.00 71.13 C ATOM 1038 CG PRO A 74 0.940 3.542 -9.673 1.00 14.42 C ATOM 1039 CD PRO A 74 -0.554 3.695 -9.598 1.00 21.01 C ATOM 0 HA PRO A 74 -0.054 4.002 -12.804 1.00 0.25 H new ATOM 0 HB2 PRO A 74 2.238 3.369 -11.369 1.00 71.13 H new ATOM 0 HB3 PRO A 74 1.483 4.942 -11.201 1.00 71.13 H new ATOM 0 HG2 PRO A 74 1.242 2.526 -9.417 1.00 14.42 H new ATOM 0 HG3 PRO A 74 1.437 4.209 -8.969 1.00 14.42 H new ATOM 0 HD2 PRO A 74 -0.996 2.987 -8.897 1.00 21.01 H new ATOM 0 HD3 PRO A 74 -0.840 4.693 -9.266 1.00 21.01 H new ATOM 1044 N PRO A 75 0.956 1.910 -13.664 1.00 21.45 N ATOM 1045 CA PRO A 75 1.267 0.631 -14.312 1.00 52.21 C ATOM 1046 C PRO A 75 2.410 -0.106 -13.620 1.00 3.02 C ATOM 1047 O PRO A 75 3.494 0.439 -13.410 1.00 21.15 O ATOM 1048 CB PRO A 75 1.674 1.040 -15.729 1.00 15.14 C ATOM 1049 CG PRO A 75 2.161 2.442 -15.594 1.00 51.14 C ATOM 1050 CD PRO A 75 1.339 3.062 -14.498 1.00 61.21 C ATOM 0 HA PRO A 75 0.423 -0.058 -14.279 1.00 52.21 H new ATOM 0 HB2 PRO A 75 2.453 0.386 -16.121 1.00 15.14 H new ATOM 0 HB3 PRO A 75 0.830 0.978 -16.416 1.00 15.14 H new ATOM 0 HG2 PRO A 75 3.222 2.464 -15.346 1.00 51.14 H new ATOM 0 HG3 PRO A 75 2.040 2.989 -16.529 1.00 51.14 H new ATOM 0 HD2 PRO A 75 1.913 3.795 -13.931 1.00 61.21 H new ATOM 0 HD3 PRO A 75 0.465 3.579 -14.895 1.00 61.21 H new ATOM 1055 N PRO A 76 2.163 -1.373 -13.257 1.00 72.12 N ATOM 1056 CA PRO A 76 3.160 -2.211 -12.585 1.00 34.40 C ATOM 1057 C PRO A 76 4.312 -2.596 -13.508 1.00 23.33 C ATOM 1058 O PRO A 76 4.269 -2.376 -14.718 1.00 24.34 O ATOM 1059 CB PRO A 76 2.363 -3.453 -12.178 1.00 14.13 C ATOM 1060 CG PRO A 76 1.235 -3.514 -13.149 1.00 43.51 C ATOM 1061 CD PRO A 76 0.894 -2.085 -13.475 1.00 32.33 C ATOM 0 HA PRO A 76 3.628 -1.694 -11.747 1.00 34.40 H new ATOM 0 HB2 PRO A 76 2.978 -4.352 -12.228 1.00 14.13 H new ATOM 0 HB3 PRO A 76 2.000 -3.372 -11.154 1.00 14.13 H new ATOM 0 HG2 PRO A 76 1.522 -4.062 -14.047 1.00 43.51 H new ATOM 0 HG3 PRO A 76 0.377 -4.032 -12.720 1.00 43.51 H new ATOM 0 HD2 PRO A 76 0.545 -1.979 -14.502 1.00 32.33 H new ATOM 0 HD3 PRO A 76 0.103 -1.703 -12.829 1.00 32.33 H new ATOM 1066 N PRO A 77 5.368 -3.184 -12.925 1.00 3.11 N ATOM 1067 CA PRO A 77 6.550 -3.612 -13.678 1.00 51.31 C ATOM 1068 C PRO A 77 6.262 -4.805 -14.583 1.00 65.13 C ATOM 1069 O PRO A 77 5.923 -4.639 -15.754 1.00 61.41 O ATOM 1070 CB PRO A 77 7.546 -4.000 -12.582 1.00 34.10 C ATOM 1071 CG PRO A 77 6.699 -4.362 -11.412 1.00 54.23 C ATOM 1072 CD PRO A 77 5.487 -3.476 -11.487 1.00 0.44 C ATOM 0 HA PRO A 77 6.912 -2.831 -14.346 1.00 51.31 H new ATOM 0 HB2 PRO A 77 8.170 -4.838 -12.893 1.00 34.10 H new ATOM 0 HB3 PRO A 77 8.216 -3.173 -12.345 1.00 34.10 H new ATOM 0 HG2 PRO A 77 6.416 -5.414 -11.446 1.00 54.23 H new ATOM 0 HG3 PRO A 77 7.238 -4.207 -10.477 1.00 54.23 H new ATOM 0 HD2 PRO A 77 4.598 -3.977 -11.104 1.00 0.44 H new ATOM 0 HD3 PRO A 77 5.617 -2.566 -10.901 1.00 0.44 H new