USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot 171:sc= 0.721 USER MOD Set 1.2: A 37 SER OG : rot -74:sc= 0.725 USER MOD Single : A 2 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0295) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.814 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 11 ASN : amide:sc= -0.0822 K(o=-0.082,f=-1.6!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 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 29 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -120:sc= -2.94! (180deg=-9.11!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 47 ASN : amide:sc= -1.18 K(o=-1.2,f=-4.5!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.715 F(o=-1.5,f=-0.71) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.55 USER MOD Single : A 54 GLN : amide:sc= -1.37 K(o=-1.4,f=-2) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-1.1) USER MOD Single : A 65 CYS SG : rot -80:sc= -1.28 USER MOD Single : A 69 TYR OH : rot -148:sc= -0.555 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.3) USER MOD Single : A 85 HIS : no HD1:sc= -0.684 X(o=-0.68,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 57 N LYS A 2 15.099 7.352 -4.689 1.00 0.00 N ATOM 58 CA LYS A 2 15.753 8.544 -4.162 1.00 0.00 C ATOM 59 C LYS A 2 17.204 8.250 -3.795 1.00 0.00 C ATOM 60 O LYS A 2 17.476 7.476 -2.878 1.00 0.00 O ATOM 61 CB LYS A 2 15.000 9.064 -2.936 1.00 0.00 C ATOM 62 CG LYS A 2 14.836 8.027 -1.838 1.00 0.00 C ATOM 63 CD LYS A 2 13.520 8.201 -1.098 1.00 0.00 C ATOM 64 CE LYS A 2 12.372 7.529 -1.836 1.00 0.00 C ATOM 65 NZ LYS A 2 12.390 6.050 -1.660 1.00 0.00 N ATOM 0 HA LYS A 2 15.741 9.309 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.531 9.927 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 2 14.015 9.412 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.882 7.028 -2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.664 8.108 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.606 7.780 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.306 9.263 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.424 7.927 -1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.432 7.769 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.522 5.642 -2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.217 5.652 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.443 5.822 -0.647 1.00 0.00 H new ATOM 79 N GLU A 3 18.130 8.875 -4.515 1.00 0.00 N ATOM 80 CA GLU A 3 19.553 8.681 -4.263 1.00 0.00 C ATOM 81 C GLU A 3 20.294 10.015 -4.268 1.00 0.00 C ATOM 82 O GLU A 3 19.959 10.920 -5.032 1.00 0.00 O ATOM 83 CB GLU A 3 20.157 7.746 -5.312 1.00 0.00 C ATOM 84 CG GLU A 3 21.508 8.206 -5.833 1.00 0.00 C ATOM 85 CD GLU A 3 22.227 7.130 -6.623 1.00 0.00 C ATOM 86 OE1 GLU A 3 22.694 6.152 -6.002 1.00 0.00 O ATOM 87 OE2 GLU A 3 22.322 7.265 -7.860 1.00 0.00 O ATOM 0 H GLU A 3 17.920 9.520 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 3 19.662 8.228 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.263 6.751 -4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.465 7.658 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 3 21.370 9.084 -6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 3 22.132 8.513 -4.993 1.00 0.00 H new ATOM 94 N ILE A 4 21.302 10.128 -3.409 1.00 0.00 N ATOM 95 CA ILE A 4 22.090 11.350 -3.315 1.00 0.00 C ATOM 96 C ILE A 4 23.369 11.245 -4.139 1.00 0.00 C ATOM 97 O ILE A 4 24.034 10.209 -4.140 1.00 0.00 O ATOM 98 CB ILE A 4 22.459 11.671 -1.854 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.002 13.097 -1.744 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.478 10.669 -1.333 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.502 13.188 -1.920 1.00 0.00 C ATOM 0 H ILE A 4 21.592 9.388 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 4 21.471 12.155 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 4 21.560 11.597 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.518 13.720 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.733 13.505 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.729 10.909 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.058 9.664 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.379 10.715 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 4 24.817 14.228 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 4 24.995 12.592 -1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.776 12.810 -2.905 1.00 0.00 H new ATOM 113 N ILE A 5 23.707 12.324 -4.837 1.00 0.00 N ATOM 114 CA ILE A 5 24.908 12.353 -5.663 1.00 0.00 C ATOM 115 C ILE A 5 25.701 13.636 -5.435 1.00 0.00 C ATOM 116 O ILE A 5 25.134 14.678 -5.103 1.00 0.00 O ATOM 117 CB ILE A 5 24.565 12.233 -7.159 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.415 11.245 -7.364 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.790 11.800 -7.950 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.097 10.981 -8.819 1.00 0.00 C ATOM 0 H ILE A 5 23.167 13.189 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 5 25.515 11.497 -5.368 1.00 0.00 H new ATOM 0 HB ILE A 5 24.248 13.210 -7.523 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.666 10.302 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.523 11.630 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.532 11.720 -9.006 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.583 12.538 -7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.135 10.832 -7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.272 10.272 -8.888 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.814 11.915 -9.305 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.975 10.566 -9.314 1.00 0.00 H new ATOM 132 N LEU A 6 27.014 13.553 -5.617 1.00 0.00 N ATOM 133 CA LEU A 6 27.886 14.709 -5.434 1.00 0.00 C ATOM 134 C LEU A 6 28.786 14.909 -6.648 1.00 0.00 C ATOM 135 O LEU A 6 29.644 14.077 -6.942 1.00 0.00 O ATOM 136 CB LEU A 6 28.738 14.535 -4.176 1.00 0.00 C ATOM 137 CG LEU A 6 29.012 13.093 -3.745 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.430 12.956 -3.212 1.00 0.00 C ATOM 139 CD2 LEU A 6 28.002 12.648 -2.698 1.00 0.00 C ATOM 0 H LEU A 6 27.499 12.698 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 6 27.258 15.593 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.694 15.033 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.244 15.052 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 6 28.909 12.448 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.607 11.924 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.140 13.233 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.561 13.613 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.212 11.620 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 6 28.073 13.297 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 6 26.996 12.708 -3.114 1.00 0.00 H new ATOM 151 N TYR A 7 28.587 16.020 -7.349 1.00 0.00 N ATOM 152 CA TYR A 7 29.381 16.330 -8.532 1.00 0.00 C ATOM 153 C TYR A 7 30.561 17.229 -8.176 1.00 0.00 C ATOM 154 O TYR A 7 30.385 18.400 -7.836 1.00 0.00 O ATOM 155 CB TYR A 7 28.511 17.008 -9.592 1.00 0.00 C ATOM 156 CG TYR A 7 27.434 16.109 -10.156 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.696 15.265 -11.228 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.153 16.103 -9.617 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.715 14.443 -11.747 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.166 15.283 -10.128 1.00 0.00 C ATOM 161 CZ TYR A 7 25.452 14.455 -11.194 1.00 0.00 C ATOM 162 OH TYR A 7 24.472 13.637 -11.707 1.00 0.00 O ATOM 0 H TYR A 7 27.883 16.721 -7.118 1.00 0.00 H new ATOM 0 HA TYR A 7 29.769 15.394 -8.934 1.00 0.00 H new ATOM 0 HB2 TYR A 7 28.044 17.891 -9.156 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.148 17.353 -10.406 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.684 15.251 -11.663 1.00 0.00 H new ATOM 0 HD2 TYR A 7 25.925 16.751 -8.784 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.936 13.794 -12.582 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.176 15.290 -9.696 1.00 0.00 H new ATOM 0 HH TYR A 7 23.641 13.766 -11.203 1.00 0.00 H new ATOM 172 N THR A 8 31.765 16.673 -8.256 1.00 0.00 N ATOM 173 CA THR A 8 32.976 17.422 -7.942 1.00 0.00 C ATOM 174 C THR A 8 34.220 16.566 -8.145 1.00 0.00 C ATOM 175 O THR A 8 34.129 15.406 -8.547 1.00 0.00 O ATOM 176 CB THR A 8 32.954 17.942 -6.492 1.00 0.00 C ATOM 177 OG1 THR A 8 31.929 17.274 -5.748 1.00 0.00 O ATOM 178 CG2 THR A 8 32.716 19.444 -6.459 1.00 0.00 C ATOM 0 H THR A 8 31.928 15.706 -8.536 1.00 0.00 H new ATOM 0 HA THR A 8 33.009 18.271 -8.624 1.00 0.00 H new ATOM 0 HB THR A 8 33.924 17.735 -6.040 1.00 0.00 H new ATOM 0 HG1 THR A 8 31.922 17.609 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.705 19.788 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.514 19.951 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.758 19.671 -6.927 1.00 0.00 H new ATOM 186 N ARG A 9 35.383 17.145 -7.863 1.00 0.00 N ATOM 187 CA ARG A 9 36.647 16.434 -8.016 1.00 0.00 C ATOM 188 C ARG A 9 36.986 15.651 -6.751 1.00 0.00 C ATOM 189 O ARG A 9 36.491 15.939 -5.661 1.00 0.00 O ATOM 190 CB ARG A 9 37.774 17.417 -8.338 1.00 0.00 C ATOM 191 CG ARG A 9 37.806 18.629 -7.420 1.00 0.00 C ATOM 192 CD ARG A 9 39.042 19.480 -7.664 1.00 0.00 C ATOM 193 NE ARG A 9 40.267 18.684 -7.645 1.00 0.00 N ATOM 194 CZ ARG A 9 41.425 19.105 -8.143 1.00 0.00 C ATOM 195 NH1 ARG A 9 41.515 20.307 -8.695 1.00 0.00 N ATOM 196 NH2 ARG A 9 42.495 18.323 -8.088 1.00 0.00 N ATOM 0 H ARG A 9 35.476 18.104 -7.528 1.00 0.00 H new ATOM 0 HA ARG A 9 36.542 15.730 -8.841 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.729 16.896 -8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.666 17.755 -9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.911 19.231 -7.579 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.789 18.300 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 9 38.951 19.983 -8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 9 39.103 20.257 -6.902 1.00 0.00 H new ATOM 0 HE ARG A 9 40.232 17.754 -7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 9 40.694 20.911 -8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 9 42.405 20.628 -9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 9 42.429 17.398 -7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 9 43.383 18.647 -8.470 1.00 0.00 H new ATOM 210 N PRO A 10 37.852 14.637 -6.897 1.00 0.00 N ATOM 211 CA PRO A 10 38.277 13.792 -5.777 1.00 0.00 C ATOM 212 C PRO A 10 39.169 14.540 -4.792 1.00 0.00 C ATOM 213 O PRO A 10 39.495 14.027 -3.723 1.00 0.00 O ATOM 214 CB PRO A 10 39.059 12.666 -6.459 1.00 0.00 C ATOM 215 CG PRO A 10 39.542 13.261 -7.736 1.00 0.00 C ATOM 216 CD PRO A 10 38.482 14.237 -8.166 1.00 0.00 C ATOM 0 HA PRO A 10 37.431 13.444 -5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 10 39.890 12.330 -5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.426 11.798 -6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.500 13.762 -7.595 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.693 12.491 -8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.911 15.092 -8.689 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.763 13.777 -8.844 1.00 0.00 H new ATOM 224 N ASN A 11 39.560 15.755 -5.160 1.00 0.00 N ATOM 225 CA ASN A 11 40.415 16.574 -4.309 1.00 0.00 C ATOM 226 C ASN A 11 39.619 17.707 -3.667 1.00 0.00 C ATOM 227 O ASN A 11 39.963 18.881 -3.809 1.00 0.00 O ATOM 228 CB ASN A 11 41.578 17.149 -5.120 1.00 0.00 C ATOM 229 CG ASN A 11 42.838 17.308 -4.291 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.816 17.146 -3.070 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.944 17.626 -4.952 1.00 0.00 N ATOM 0 H ASN A 11 39.298 16.195 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 11 40.812 15.939 -3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.784 16.496 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 11 41.289 18.118 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 11 44.823 17.746 -4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.915 17.750 -5.964 1.00 0.00 H new ATOM 238 N CYS A 12 38.552 17.347 -2.961 1.00 0.00 N ATOM 239 CA CYS A 12 37.706 18.332 -2.297 1.00 0.00 C ATOM 240 C CYS A 12 37.794 18.190 -0.780 1.00 0.00 C ATOM 241 O CYS A 12 37.140 17.343 -0.172 1.00 0.00 O ATOM 242 CB CYS A 12 36.254 18.176 -2.751 1.00 0.00 C ATOM 243 SG CYS A 12 35.650 16.457 -2.737 1.00 0.00 S ATOM 0 H CYS A 12 38.253 16.380 -2.834 1.00 0.00 H new ATOM 0 HA CYS A 12 38.061 19.325 -2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.616 18.779 -2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.155 18.576 -3.760 1.00 0.00 H new ATOM 248 N PRO A 13 38.623 19.039 -0.154 1.00 0.00 N ATOM 249 CA PRO A 13 38.816 19.029 1.299 1.00 0.00 C ATOM 250 C PRO A 13 37.584 19.522 2.051 1.00 0.00 C ATOM 251 O PRO A 13 37.528 19.459 3.279 1.00 0.00 O ATOM 252 CB PRO A 13 39.989 19.990 1.507 1.00 0.00 C ATOM 253 CG PRO A 13 39.946 20.902 0.330 1.00 0.00 C ATOM 254 CD PRO A 13 39.434 20.074 -0.816 1.00 0.00 C ATOM 0 HA PRO A 13 38.998 18.024 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.886 20.543 2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.936 19.453 1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.292 21.753 0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 13 40.936 21.303 0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 13 38.838 20.670 -1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.250 19.638 -1.392 1.00 0.00 H new ATOM 262 N TYR A 14 36.599 20.012 1.307 1.00 0.00 N ATOM 263 CA TYR A 14 35.369 20.517 1.904 1.00 0.00 C ATOM 264 C TYR A 14 34.236 19.506 1.755 1.00 0.00 C ATOM 265 O TYR A 14 33.454 19.291 2.682 1.00 0.00 O ATOM 266 CB TYR A 14 34.971 21.845 1.256 1.00 0.00 C ATOM 267 CG TYR A 14 35.679 23.043 1.846 1.00 0.00 C ATOM 268 CD1 TYR A 14 35.269 23.591 3.056 1.00 0.00 C ATOM 269 CD2 TYR A 14 36.759 23.627 1.195 1.00 0.00 C ATOM 270 CE1 TYR A 14 35.913 24.686 3.598 1.00 0.00 C ATOM 271 CE2 TYR A 14 37.410 24.721 1.731 1.00 0.00 C ATOM 272 CZ TYR A 14 36.983 25.248 2.932 1.00 0.00 C ATOM 273 OH TYR A 14 37.628 26.338 3.470 1.00 0.00 O ATOM 0 H TYR A 14 36.629 20.070 0.289 1.00 0.00 H new ATOM 0 HA TYR A 14 35.550 20.678 2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.185 21.797 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.895 21.982 1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 14 34.433 23.153 3.581 1.00 0.00 H new ATOM 0 HD2 TYR A 14 37.095 23.218 0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 14 35.581 25.100 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 14 38.249 25.161 1.212 1.00 0.00 H new ATOM 0 HH TYR A 14 38.359 26.611 2.878 1.00 0.00 H new ATOM 283 N CYS A 15 34.154 18.887 0.582 1.00 0.00 N ATOM 284 CA CYS A 15 33.119 17.898 0.310 1.00 0.00 C ATOM 285 C CYS A 15 33.129 16.795 1.364 1.00 0.00 C ATOM 286 O CYS A 15 32.122 16.120 1.583 1.00 0.00 O ATOM 287 CB CYS A 15 33.317 17.291 -1.081 1.00 0.00 C ATOM 288 SG CYS A 15 34.599 15.999 -1.152 1.00 0.00 S ATOM 0 H CYS A 15 34.793 19.053 -0.196 1.00 0.00 H new ATOM 0 HA CYS A 15 32.153 18.401 0.346 1.00 0.00 H new ATOM 0 HB2 CYS A 15 32.371 16.868 -1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.579 18.086 -1.779 1.00 0.00 H new ATOM 293 N LYS A 16 34.273 16.618 2.016 1.00 0.00 N ATOM 294 CA LYS A 16 34.415 15.599 3.050 1.00 0.00 C ATOM 295 C LYS A 16 33.260 15.667 4.043 1.00 0.00 C ATOM 296 O LYS A 16 32.757 14.638 4.496 1.00 0.00 O ATOM 297 CB LYS A 16 35.746 15.772 3.785 1.00 0.00 C ATOM 298 CG LYS A 16 36.892 14.996 3.160 1.00 0.00 C ATOM 299 CD LYS A 16 38.224 15.360 3.796 1.00 0.00 C ATOM 300 CE LYS A 16 39.383 15.111 2.843 1.00 0.00 C ATOM 301 NZ LYS A 16 40.669 15.626 3.388 1.00 0.00 N ATOM 0 H LYS A 16 35.116 17.167 1.847 1.00 0.00 H new ATOM 0 HA LYS A 16 34.398 14.622 2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 16 36.004 16.831 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.624 15.453 4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 16 36.713 13.927 3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.931 15.201 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.213 16.409 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.367 14.775 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 16 39.472 14.042 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 16 39.176 15.590 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 41.434 15.437 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 40.593 16.651 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.880 15.150 4.288 1.00 0.00 H new ATOM 315 N ARG A 17 32.843 16.883 4.377 1.00 0.00 N ATOM 316 CA ARG A 17 31.747 17.084 5.317 1.00 0.00 C ATOM 317 C ARG A 17 30.451 16.484 4.778 1.00 0.00 C ATOM 318 O ARG A 17 29.677 15.884 5.522 1.00 0.00 O ATOM 319 CB ARG A 17 31.553 18.576 5.596 1.00 0.00 C ATOM 320 CG ARG A 17 32.456 19.112 6.695 1.00 0.00 C ATOM 321 CD ARG A 17 31.874 20.365 7.332 1.00 0.00 C ATOM 322 NE ARG A 17 32.573 20.728 8.562 1.00 0.00 N ATOM 323 CZ ARG A 17 32.224 21.754 9.330 1.00 0.00 C ATOM 324 NH1 ARG A 17 31.191 22.516 8.995 1.00 0.00 N ATOM 325 NH2 ARG A 17 32.909 22.021 10.434 1.00 0.00 N ATOM 0 H ARG A 17 33.248 17.745 4.011 1.00 0.00 H new ATOM 0 HA ARG A 17 32.003 16.577 6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.739 19.136 4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.514 18.753 5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 17 32.597 18.346 7.458 1.00 0.00 H new ATOM 0 HG3 ARG A 17 33.440 19.335 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 17 31.932 21.192 6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 17 30.818 20.205 7.549 1.00 0.00 H new ATOM 0 HE ARG A 17 33.373 20.163 8.847 1.00 0.00 H new ATOM 0 HH11 ARG A 17 30.663 22.315 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 17 30.925 23.303 9.586 1.00 0.00 H new ATOM 0 HH21 ARG A 17 33.705 21.438 10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 17 32.640 22.809 11.023 1.00 0.00 H new ATOM 339 N ALA A 18 30.224 16.652 3.479 1.00 0.00 N ATOM 340 CA ALA A 18 29.024 16.126 2.840 1.00 0.00 C ATOM 341 C ALA A 18 29.001 14.602 2.886 1.00 0.00 C ATOM 342 O ALA A 18 28.038 14.000 3.363 1.00 0.00 O ATOM 343 CB ALA A 18 28.935 16.614 1.402 1.00 0.00 C ATOM 0 H ALA A 18 30.855 17.148 2.849 1.00 0.00 H new ATOM 0 HA ALA A 18 28.158 16.493 3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.034 16.214 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.897 17.703 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.811 16.275 0.848 1.00 0.00 H new ATOM 349 N ARG A 19 30.065 13.983 2.385 1.00 0.00 N ATOM 350 CA ARG A 19 30.166 12.529 2.368 1.00 0.00 C ATOM 351 C ARG A 19 30.081 11.961 3.781 1.00 0.00 C ATOM 352 O ARG A 19 29.573 10.859 3.989 1.00 0.00 O ATOM 353 CB ARG A 19 31.477 12.095 1.710 1.00 0.00 C ATOM 354 CG ARG A 19 32.714 12.662 2.387 1.00 0.00 C ATOM 355 CD ARG A 19 33.985 12.241 1.666 1.00 0.00 C ATOM 356 NE ARG A 19 34.173 10.793 1.687 1.00 0.00 N ATOM 357 CZ ARG A 19 35.040 10.153 0.910 1.00 0.00 C ATOM 358 NH1 ARG A 19 35.795 10.830 0.055 1.00 0.00 N ATOM 359 NH2 ARG A 19 35.154 8.833 0.987 1.00 0.00 N ATOM 0 H ARG A 19 30.869 14.466 1.985 1.00 0.00 H new ATOM 0 HA ARG A 19 29.330 12.139 1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.535 11.007 1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.470 12.406 0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.651 13.750 2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.752 12.322 3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.947 12.586 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.843 12.725 2.132 1.00 0.00 H new ATOM 0 HE ARG A 19 33.608 10.243 2.334 1.00 0.00 H new ATOM 0 HH11 ARG A 19 35.711 11.845 -0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 19 36.460 10.336 -0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.576 8.309 1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 19 35.820 8.343 0.390 1.00 0.00 H new ATOM 373 N ASP A 20 30.581 12.720 4.749 1.00 0.00 N ATOM 374 CA ASP A 20 30.562 12.293 6.144 1.00 0.00 C ATOM 375 C ASP A 20 29.144 12.334 6.705 1.00 0.00 C ATOM 376 O ASP A 20 28.716 11.417 7.407 1.00 0.00 O ATOM 377 CB ASP A 20 31.482 13.180 6.984 1.00 0.00 C ATOM 378 CG ASP A 20 31.791 12.574 8.339 1.00 0.00 C ATOM 379 OD1 ASP A 20 32.017 11.348 8.402 1.00 0.00 O ATOM 380 OD2 ASP A 20 31.806 13.326 9.336 1.00 0.00 O ATOM 0 H ASP A 20 31.005 13.635 4.594 1.00 0.00 H new ATOM 0 HA ASP A 20 30.922 11.265 6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.413 13.348 6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 20 31.014 14.155 7.123 1.00 0.00 H new ATOM 385 N LEU A 21 28.420 13.403 6.392 1.00 0.00 N ATOM 386 CA LEU A 21 27.050 13.564 6.865 1.00 0.00 C ATOM 387 C LEU A 21 26.158 12.441 6.345 1.00 0.00 C ATOM 388 O LEU A 21 25.416 11.820 7.107 1.00 0.00 O ATOM 389 CB LEU A 21 26.493 14.919 6.424 1.00 0.00 C ATOM 390 CG LEU A 21 24.974 15.078 6.502 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.609 16.440 7.071 1.00 0.00 C ATOM 392 CD2 LEU A 21 24.347 14.886 5.129 1.00 0.00 C ATOM 0 H LEU A 21 28.759 14.171 5.813 1.00 0.00 H new ATOM 0 HA LEU A 21 27.061 13.519 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 21 26.951 15.695 7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.805 15.100 5.395 1.00 0.00 H new ATOM 0 HG LEU A 21 24.581 14.311 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.524 16.535 7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 21 25.027 16.540 8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.014 17.223 6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 21 23.266 15.003 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.746 15.630 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 21 24.580 13.887 4.759 1.00 0.00 H new ATOM 404 N LEU A 22 26.237 12.185 5.044 1.00 0.00 N ATOM 405 CA LEU A 22 25.438 11.135 4.422 1.00 0.00 C ATOM 406 C LEU A 22 25.839 9.761 4.949 1.00 0.00 C ATOM 407 O LEU A 22 25.009 9.024 5.483 1.00 0.00 O ATOM 408 CB LEU A 22 25.601 11.177 2.901 1.00 0.00 C ATOM 409 CG LEU A 22 25.513 12.560 2.255 1.00 0.00 C ATOM 410 CD1 LEU A 22 26.495 12.672 1.099 1.00 0.00 C ATOM 411 CD2 LEU A 22 24.094 12.838 1.780 1.00 0.00 C ATOM 0 H LEU A 22 26.846 12.690 4.400 1.00 0.00 H new ATOM 0 HA LEU A 22 24.392 11.310 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 22 26.567 10.740 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 22 24.836 10.541 2.456 1.00 0.00 H new ATOM 0 HG LEU A 22 25.777 13.307 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.418 13.663 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 22 27.509 12.517 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 22 26.262 11.916 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 22 24.050 13.827 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 22 23.802 12.086 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.412 12.801 2.630 1.00 0.00 H new ATOM 423 N ASP A 23 27.115 9.425 4.799 1.00 0.00 N ATOM 424 CA ASP A 23 27.627 8.140 5.264 1.00 0.00 C ATOM 425 C ASP A 23 27.265 7.909 6.728 1.00 0.00 C ATOM 426 O ASP A 23 26.994 6.781 7.141 1.00 0.00 O ATOM 427 CB ASP A 23 29.144 8.077 5.084 1.00 0.00 C ATOM 428 CG ASP A 23 29.688 6.671 5.247 1.00 0.00 C ATOM 429 OD1 ASP A 23 28.943 5.711 4.961 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.858 6.532 5.661 1.00 0.00 O ATOM 0 H ASP A 23 27.814 10.024 4.359 1.00 0.00 H new ATOM 0 HA ASP A 23 27.165 7.354 4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.406 8.452 4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.621 8.735 5.811 1.00 0.00 H new ATOM 435 N LYS A 24 27.264 8.984 7.509 1.00 0.00 N ATOM 436 CA LYS A 24 26.937 8.899 8.927 1.00 0.00 C ATOM 437 C LYS A 24 25.429 8.785 9.131 1.00 0.00 C ATOM 438 O LYS A 24 24.967 8.205 10.114 1.00 0.00 O ATOM 439 CB LYS A 24 27.471 10.126 9.669 1.00 0.00 C ATOM 440 CG LYS A 24 27.178 10.112 11.159 1.00 0.00 C ATOM 441 CD LYS A 24 25.912 10.886 11.486 1.00 0.00 C ATOM 442 CE LYS A 24 25.962 11.469 12.890 1.00 0.00 C ATOM 443 NZ LYS A 24 24.613 11.519 13.518 1.00 0.00 N ATOM 0 H LYS A 24 27.486 9.925 7.183 1.00 0.00 H new ATOM 0 HA LYS A 24 27.410 8.004 9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.549 10.189 9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 24 27.035 11.024 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 24 27.074 9.082 11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.020 10.544 11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.778 11.690 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.048 10.228 11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.629 10.869 13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 24 26.382 12.474 12.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 24.690 11.922 14.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 23.983 12.113 12.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 24.222 10.557 13.579 1.00 0.00 H new ATOM 457 N LYS A 25 24.666 9.342 8.196 1.00 0.00 N ATOM 458 CA LYS A 25 23.211 9.300 8.271 1.00 0.00 C ATOM 459 C LYS A 25 22.693 7.890 8.011 1.00 0.00 C ATOM 460 O LYS A 25 21.668 7.484 8.558 1.00 0.00 O ATOM 461 CB LYS A 25 22.600 10.274 7.261 1.00 0.00 C ATOM 462 CG LYS A 25 21.847 11.426 7.905 1.00 0.00 C ATOM 463 CD LYS A 25 22.779 12.326 8.699 1.00 0.00 C ATOM 464 CE LYS A 25 22.100 12.869 9.946 1.00 0.00 C ATOM 465 NZ LYS A 25 22.585 14.234 10.293 1.00 0.00 N ATOM 0 H LYS A 25 25.032 9.828 7.377 1.00 0.00 H new ATOM 0 HA LYS A 25 22.915 9.596 9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.394 10.677 6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.921 9.727 6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.345 12.010 7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.072 11.033 8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.671 11.768 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.108 13.155 8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.022 12.896 9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 25 22.284 12.195 10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.098 14.568 11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.610 14.204 10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.386 14.884 9.505 1.00 0.00 H new ATOM 479 N GLY A 26 23.408 7.146 7.173 1.00 0.00 N ATOM 480 CA GLY A 26 23.005 5.788 6.856 1.00 0.00 C ATOM 481 C GLY A 26 22.455 5.660 5.450 1.00 0.00 C ATOM 482 O GLY A 26 21.343 5.169 5.253 1.00 0.00 O ATOM 0 H GLY A 26 24.260 7.459 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.861 5.122 6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.249 5.461 7.570 1.00 0.00 H new ATOM 486 N VAL A 27 23.234 6.104 4.468 1.00 0.00 N ATOM 487 CA VAL A 27 22.818 6.037 3.073 1.00 0.00 C ATOM 488 C VAL A 27 24.011 5.798 2.154 1.00 0.00 C ATOM 489 O VAL A 27 25.154 5.729 2.608 1.00 0.00 O ATOM 490 CB VAL A 27 22.099 7.328 2.638 1.00 0.00 C ATOM 491 CG1 VAL A 27 20.667 7.340 3.150 1.00 0.00 C ATOM 492 CG2 VAL A 27 22.860 8.551 3.129 1.00 0.00 C ATOM 0 H VAL A 27 24.157 6.514 4.614 1.00 0.00 H new ATOM 0 HA VAL A 27 22.126 5.199 2.990 1.00 0.00 H new ATOM 0 HB VAL A 27 22.070 7.359 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.175 8.259 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.129 6.483 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.669 7.287 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.339 9.455 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 27 22.921 8.529 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.866 8.547 2.709 1.00 0.00 H new ATOM 502 N LYS A 28 23.739 5.674 0.860 1.00 0.00 N ATOM 503 CA LYS A 28 24.790 5.445 -0.125 1.00 0.00 C ATOM 504 C LYS A 28 24.846 6.587 -1.135 1.00 0.00 C ATOM 505 O LYS A 28 23.985 6.700 -2.008 1.00 0.00 O ATOM 506 CB LYS A 28 24.557 4.118 -0.851 1.00 0.00 C ATOM 507 CG LYS A 28 25.140 2.918 -0.127 1.00 0.00 C ATOM 508 CD LYS A 28 24.161 2.346 0.885 1.00 0.00 C ATOM 509 CE LYS A 28 23.196 1.367 0.234 1.00 0.00 C ATOM 510 NZ LYS A 28 22.095 0.978 1.157 1.00 0.00 N ATOM 0 H LYS A 28 22.799 5.728 0.468 1.00 0.00 H new ATOM 0 HA LYS A 28 25.744 5.401 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.485 3.968 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.994 4.177 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.406 2.149 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.060 3.210 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 28 24.711 1.843 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.600 3.157 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.774 1.816 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 28 23.739 0.476 -0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.459 0.310 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.495 0.526 2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.560 1.825 1.436 1.00 0.00 H new ATOM 524 N TYR A 29 25.866 7.429 -1.012 1.00 0.00 N ATOM 525 CA TYR A 29 26.034 8.562 -1.914 1.00 0.00 C ATOM 526 C TYR A 29 26.921 8.189 -3.098 1.00 0.00 C ATOM 527 O TYR A 29 27.859 7.404 -2.964 1.00 0.00 O ATOM 528 CB TYR A 29 26.638 9.752 -1.166 1.00 0.00 C ATOM 529 CG TYR A 29 28.044 9.504 -0.668 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.137 9.655 -1.512 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.279 9.117 0.645 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.424 9.428 -1.063 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.562 8.890 1.104 1.00 0.00 C ATOM 534 CZ TYR A 29 30.631 9.047 0.246 1.00 0.00 C ATOM 535 OH TYR A 29 31.911 8.820 0.699 1.00 0.00 O ATOM 0 H TYR A 29 26.589 7.348 -0.297 1.00 0.00 H new ATOM 0 HA TYR A 29 25.051 8.840 -2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.643 10.620 -1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.000 9.999 -0.318 1.00 0.00 H new ATOM 0 HD1 TYR A 29 28.978 9.955 -2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.444 8.991 1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.262 9.548 -1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 29 29.727 8.591 2.129 1.00 0.00 H new ATOM 0 HH TYR A 29 31.882 8.560 1.644 1.00 0.00 H new ATOM 545 N THR A 30 26.616 8.759 -4.260 1.00 0.00 N ATOM 546 CA THR A 30 27.383 8.487 -5.469 1.00 0.00 C ATOM 547 C THR A 30 28.291 9.661 -5.819 1.00 0.00 C ATOM 548 O THR A 30 27.817 10.755 -6.124 1.00 0.00 O ATOM 549 CB THR A 30 26.460 8.193 -6.666 1.00 0.00 C ATOM 550 OG1 THR A 30 25.691 7.011 -6.413 1.00 0.00 O ATOM 551 CG2 THR A 30 27.268 8.014 -7.942 1.00 0.00 C ATOM 0 H THR A 30 25.843 9.412 -4.389 1.00 0.00 H new ATOM 0 HA THR A 30 27.993 7.607 -5.265 1.00 0.00 H new ATOM 0 HB THR A 30 25.789 9.042 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.105 6.832 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.594 7.807 -8.773 1.00 0.00 H new ATOM 0 HG22 THR A 30 27.830 8.925 -8.148 1.00 0.00 H new ATOM 0 HG23 THR A 30 27.960 7.181 -7.820 1.00 0.00 H new ATOM 559 N ASP A 31 29.598 9.425 -5.774 1.00 0.00 N ATOM 560 CA ASP A 31 30.573 10.463 -6.089 1.00 0.00 C ATOM 561 C ASP A 31 30.817 10.541 -7.593 1.00 0.00 C ATOM 562 O ASP A 31 31.151 9.541 -8.230 1.00 0.00 O ATOM 563 CB ASP A 31 31.890 10.193 -5.359 1.00 0.00 C ATOM 564 CG ASP A 31 32.996 11.133 -5.796 1.00 0.00 C ATOM 565 OD1 ASP A 31 33.009 12.292 -5.330 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.851 10.710 -6.602 1.00 0.00 O ATOM 0 H ASP A 31 30.006 8.525 -5.523 1.00 0.00 H new ATOM 0 HA ASP A 31 30.170 11.419 -5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 31 31.734 10.294 -4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.199 9.164 -5.541 1.00 0.00 H new ATOM 571 N ILE A 32 30.648 11.733 -8.154 1.00 0.00 N ATOM 572 CA ILE A 32 30.850 11.941 -9.582 1.00 0.00 C ATOM 573 C ILE A 32 32.107 12.764 -9.846 1.00 0.00 C ATOM 574 O ILE A 32 32.201 13.920 -9.435 1.00 0.00 O ATOM 575 CB ILE A 32 29.643 12.648 -10.225 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.368 11.831 -10.004 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.886 12.868 -11.711 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.440 10.432 -10.574 1.00 0.00 C ATOM 0 H ILE A 32 30.371 12.570 -7.641 1.00 0.00 H new ATOM 0 HA ILE A 32 30.964 10.954 -10.031 1.00 0.00 H new ATOM 0 HB ILE A 32 29.516 13.621 -9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.167 11.769 -8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.527 12.356 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 32 29.023 13.369 -12.151 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.773 13.487 -11.847 1.00 0.00 H new ATOM 0 HG23 ILE A 32 30.036 11.906 -12.201 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.502 9.911 -10.380 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.610 10.486 -11.649 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.260 9.889 -10.104 1.00 0.00 H new ATOM 590 N ASP A 33 33.069 12.160 -10.535 1.00 0.00 N ATOM 591 CA ASP A 33 34.319 12.838 -10.857 1.00 0.00 C ATOM 592 C ASP A 33 34.052 14.190 -11.511 1.00 0.00 C ATOM 593 O ASP A 33 33.115 14.337 -12.294 1.00 0.00 O ATOM 594 CB ASP A 33 35.171 11.969 -11.783 1.00 0.00 C ATOM 595 CG ASP A 33 36.046 10.994 -11.020 1.00 0.00 C ATOM 596 OD1 ASP A 33 36.663 11.410 -10.017 1.00 0.00 O ATOM 597 OD2 ASP A 33 36.114 9.814 -11.425 1.00 0.00 O ATOM 0 H ASP A 33 33.007 11.203 -10.881 1.00 0.00 H new ATOM 0 HA ASP A 33 34.862 13.006 -9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.519 11.415 -12.458 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.800 12.610 -12.401 1.00 0.00 H new ATOM 602 N ALA A 34 34.882 15.174 -11.182 1.00 0.00 N ATOM 603 CA ALA A 34 34.736 16.514 -11.738 1.00 0.00 C ATOM 604 C ALA A 34 34.865 16.495 -13.258 1.00 0.00 C ATOM 605 O ALA A 34 34.448 17.432 -13.937 1.00 0.00 O ATOM 606 CB ALA A 34 35.767 17.453 -11.131 1.00 0.00 C ATOM 0 H ALA A 34 35.662 15.069 -10.534 1.00 0.00 H new ATOM 0 HA ALA A 34 33.739 16.877 -11.488 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.646 18.450 -11.556 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.626 17.499 -10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.769 17.084 -11.351 1.00 0.00 H new ATOM 612 N SER A 35 35.447 15.422 -13.784 1.00 0.00 N ATOM 613 CA SER A 35 35.636 15.283 -15.223 1.00 0.00 C ATOM 614 C SER A 35 34.329 15.536 -15.969 1.00 0.00 C ATOM 615 O SER A 35 33.366 14.781 -15.833 1.00 0.00 O ATOM 616 CB SER A 35 36.165 13.888 -15.558 1.00 0.00 C ATOM 617 OG SER A 35 36.050 13.617 -16.944 1.00 0.00 O ATOM 0 H SER A 35 35.796 14.636 -13.235 1.00 0.00 H new ATOM 0 HA SER A 35 36.367 16.026 -15.542 1.00 0.00 H new ATOM 0 HB2 SER A 35 37.209 13.809 -15.255 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.611 13.140 -14.991 1.00 0.00 H new ATOM 0 HG SER A 35 36.523 12.785 -17.155 1.00 0.00 H new ATOM 623 N THR A 36 34.303 16.605 -16.760 1.00 0.00 N ATOM 624 CA THR A 36 33.116 16.960 -17.527 1.00 0.00 C ATOM 625 C THR A 36 32.823 15.917 -18.599 1.00 0.00 C ATOM 626 O THR A 36 31.682 15.766 -19.036 1.00 0.00 O ATOM 627 CB THR A 36 33.271 18.338 -18.196 1.00 0.00 C ATOM 628 OG1 THR A 36 34.398 18.330 -19.080 1.00 0.00 O ATOM 629 CG2 THR A 36 33.447 19.430 -17.152 1.00 0.00 C ATOM 0 H THR A 36 35.091 17.240 -16.886 1.00 0.00 H new ATOM 0 HA THR A 36 32.284 16.998 -16.824 1.00 0.00 H new ATOM 0 HB THR A 36 32.365 18.544 -18.765 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.488 19.210 -19.503 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.555 20.394 -17.649 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.574 19.453 -16.499 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.338 19.226 -16.559 1.00 0.00 H new ATOM 637 N SER A 37 33.859 15.198 -19.019 1.00 0.00 N ATOM 638 CA SER A 37 33.712 14.170 -20.043 1.00 0.00 C ATOM 639 C SER A 37 32.559 13.230 -19.708 1.00 0.00 C ATOM 640 O SER A 37 31.896 12.699 -20.600 1.00 0.00 O ATOM 641 CB SER A 37 35.010 13.373 -20.185 1.00 0.00 C ATOM 642 OG SER A 37 35.076 12.331 -19.227 1.00 0.00 O ATOM 0 H SER A 37 34.810 15.308 -18.666 1.00 0.00 H new ATOM 0 HA SER A 37 33.491 14.664 -20.989 1.00 0.00 H new ATOM 0 HB2 SER A 37 35.075 12.953 -21.189 1.00 0.00 H new ATOM 0 HB3 SER A 37 35.864 14.039 -20.062 1.00 0.00 H new ATOM 0 HG SER A 37 35.258 12.711 -18.342 1.00 0.00 H new ATOM 648 N LEU A 38 32.324 13.029 -18.416 1.00 0.00 N ATOM 649 CA LEU A 38 31.250 12.153 -17.960 1.00 0.00 C ATOM 650 C LEU A 38 30.289 12.901 -17.042 1.00 0.00 C ATOM 651 O LEU A 38 29.083 12.655 -17.056 1.00 0.00 O ATOM 652 CB LEU A 38 31.830 10.940 -17.231 1.00 0.00 C ATOM 653 CG LEU A 38 30.937 9.699 -17.179 1.00 0.00 C ATOM 654 CD1 LEU A 38 31.071 8.890 -18.459 1.00 0.00 C ATOM 655 CD2 LEU A 38 31.282 8.845 -15.967 1.00 0.00 C ATOM 0 H LEU A 38 32.863 13.461 -17.665 1.00 0.00 H new ATOM 0 HA LEU A 38 30.696 11.813 -18.835 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.770 10.667 -17.711 1.00 0.00 H new ATOM 0 HB3 LEU A 38 32.068 11.235 -16.209 1.00 0.00 H new ATOM 0 HG LEU A 38 29.901 10.024 -17.087 1.00 0.00 H new ATOM 0 HD11 LEU A 38 30.428 8.011 -18.403 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.774 9.503 -19.310 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.107 8.574 -18.583 1.00 0.00 H new ATOM 0 HD21 LEU A 38 30.637 7.966 -15.946 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.323 8.529 -16.029 1.00 0.00 H new ATOM 0 HD23 LEU A 38 31.133 9.427 -15.057 1.00 0.00 H new ATOM 667 N ARG A 39 30.832 13.817 -16.246 1.00 0.00 N ATOM 668 CA ARG A 39 30.023 14.602 -15.322 1.00 0.00 C ATOM 669 C ARG A 39 28.993 15.438 -16.076 1.00 0.00 C ATOM 670 O ARG A 39 27.849 15.570 -15.641 1.00 0.00 O ATOM 671 CB ARG A 39 30.915 15.514 -14.477 1.00 0.00 C ATOM 672 CG ARG A 39 30.144 16.385 -13.500 1.00 0.00 C ATOM 673 CD ARG A 39 30.532 17.850 -13.633 1.00 0.00 C ATOM 674 NE ARG A 39 30.140 18.404 -14.926 1.00 0.00 N ATOM 675 CZ ARG A 39 30.587 19.564 -15.394 1.00 0.00 C ATOM 676 NH1 ARG A 39 31.436 20.288 -14.679 1.00 0.00 N ATOM 677 NH2 ARG A 39 30.184 20.002 -16.580 1.00 0.00 N ATOM 0 H ARG A 39 31.829 14.033 -16.223 1.00 0.00 H new ATOM 0 HA ARG A 39 29.495 13.911 -14.665 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.625 14.901 -13.922 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.497 16.154 -15.140 1.00 0.00 H new ATOM 0 HG2 ARG A 39 29.074 16.273 -13.677 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.335 16.048 -12.481 1.00 0.00 H new ATOM 0 HD2 ARG A 39 30.061 18.424 -12.835 1.00 0.00 H new ATOM 0 HD3 ARG A 39 31.610 17.953 -13.506 1.00 0.00 H new ATOM 0 HE ARG A 39 29.487 17.871 -15.501 1.00 0.00 H new ATOM 0 HH11 ARG A 39 31.748 19.955 -13.767 1.00 0.00 H new ATOM 0 HH12 ARG A 39 31.778 21.178 -15.041 1.00 0.00 H new ATOM 0 HH21 ARG A 39 29.530 19.448 -17.133 1.00 0.00 H new ATOM 0 HH22 ARG A 39 30.528 20.893 -16.938 1.00 0.00 H new ATOM 691 N GLN A 40 29.407 15.999 -17.207 1.00 0.00 N ATOM 692 CA GLN A 40 28.521 16.823 -18.020 1.00 0.00 C ATOM 693 C GLN A 40 27.292 16.032 -18.458 1.00 0.00 C ATOM 694 O GLN A 40 26.179 16.556 -18.473 1.00 0.00 O ATOM 695 CB GLN A 40 29.265 17.353 -19.247 1.00 0.00 C ATOM 696 CG GLN A 40 28.642 18.606 -19.842 1.00 0.00 C ATOM 697 CD GLN A 40 29.666 19.510 -20.501 1.00 0.00 C ATOM 698 OE1 GLN A 40 30.012 20.566 -19.970 1.00 0.00 O ATOM 699 NE2 GLN A 40 30.157 19.099 -21.664 1.00 0.00 N ATOM 0 H GLN A 40 30.350 15.898 -17.581 1.00 0.00 H new ATOM 0 HA GLN A 40 28.191 17.666 -17.412 1.00 0.00 H new ATOM 0 HB2 GLN A 40 30.298 17.567 -18.971 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.293 16.574 -20.009 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.890 18.319 -20.577 1.00 0.00 H new ATOM 0 HG3 GLN A 40 28.126 19.159 -19.057 1.00 0.00 H new ATOM 0 HE21 GLN A 40 29.842 18.217 -22.068 1.00 0.00 H new ATOM 0 HE22 GLN A 40 30.849 19.665 -22.154 1.00 0.00 H new ATOM 708 N GLU A 41 27.504 14.769 -18.814 1.00 0.00 N ATOM 709 CA GLU A 41 26.413 13.907 -19.253 1.00 0.00 C ATOM 710 C GLU A 41 25.500 13.546 -18.085 1.00 0.00 C ATOM 711 O GLU A 41 24.280 13.673 -18.175 1.00 0.00 O ATOM 712 CB GLU A 41 26.967 12.633 -19.895 1.00 0.00 C ATOM 713 CG GLU A 41 28.171 12.876 -20.790 1.00 0.00 C ATOM 714 CD GLU A 41 28.412 11.739 -21.763 1.00 0.00 C ATOM 715 OE1 GLU A 41 28.342 10.567 -21.338 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.672 12.021 -22.952 1.00 0.00 O ATOM 0 H GLU A 41 28.420 14.320 -18.807 1.00 0.00 H new ATOM 0 HA GLU A 41 25.828 14.453 -19.993 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.245 11.931 -19.109 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.179 12.159 -20.481 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.024 13.801 -21.347 1.00 0.00 H new ATOM 0 HG3 GLU A 41 29.058 13.014 -20.171 1.00 0.00 H new ATOM 723 N MET A 42 26.102 13.094 -16.989 1.00 0.00 N ATOM 724 CA MET A 42 25.344 12.714 -15.803 1.00 0.00 C ATOM 725 C MET A 42 24.539 13.896 -15.271 1.00 0.00 C ATOM 726 O MET A 42 23.335 13.787 -15.043 1.00 0.00 O ATOM 727 CB MET A 42 26.285 12.192 -14.715 1.00 0.00 C ATOM 728 CG MET A 42 25.561 11.649 -13.495 1.00 0.00 C ATOM 729 SD MET A 42 25.511 9.846 -13.462 1.00 0.00 S ATOM 730 CE MET A 42 27.259 9.460 -13.407 1.00 0.00 C ATOM 0 H MET A 42 27.112 12.982 -16.898 1.00 0.00 H new ATOM 0 HA MET A 42 24.651 11.921 -16.084 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.912 11.406 -15.135 1.00 0.00 H new ATOM 0 HB3 MET A 42 26.950 12.998 -14.404 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.055 12.011 -12.593 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.543 12.037 -13.479 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.527 8.863 -14.279 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.836 10.385 -13.409 1.00 0.00 H new ATOM 0 HE3 MET A 42 27.479 8.897 -12.500 1.00 0.00 H new ATOM 740 N VAL A 43 25.213 15.025 -15.075 1.00 0.00 N ATOM 741 CA VAL A 43 24.561 16.227 -14.571 1.00 0.00 C ATOM 742 C VAL A 43 23.500 16.727 -15.545 1.00 0.00 C ATOM 743 O VAL A 43 22.462 17.245 -15.135 1.00 0.00 O ATOM 744 CB VAL A 43 25.579 17.354 -14.316 1.00 0.00 C ATOM 745 CG1 VAL A 43 26.117 17.895 -15.632 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.949 18.466 -13.491 1.00 0.00 C ATOM 0 H VAL A 43 26.211 15.132 -15.258 1.00 0.00 H new ATOM 0 HA VAL A 43 24.086 15.956 -13.628 1.00 0.00 H new ATOM 0 HB VAL A 43 26.415 16.943 -13.750 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.835 18.691 -15.432 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.609 17.092 -16.182 1.00 0.00 H new ATOM 0 HG13 VAL A 43 25.294 18.290 -16.227 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.683 19.253 -13.321 1.00 0.00 H new ATOM 0 HG22 VAL A 43 24.094 18.877 -14.027 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.618 18.065 -12.533 1.00 0.00 H new ATOM 756 N GLN A 44 23.768 16.566 -16.837 1.00 0.00 N ATOM 757 CA GLN A 44 22.836 17.001 -17.870 1.00 0.00 C ATOM 758 C GLN A 44 21.507 16.262 -17.751 1.00 0.00 C ATOM 759 O GLN A 44 20.442 16.878 -17.740 1.00 0.00 O ATOM 760 CB GLN A 44 23.437 16.773 -19.258 1.00 0.00 C ATOM 761 CG GLN A 44 22.398 16.501 -20.334 1.00 0.00 C ATOM 762 CD GLN A 44 22.871 16.905 -21.717 1.00 0.00 C ATOM 763 OE1 GLN A 44 22.691 18.048 -22.138 1.00 0.00 O ATOM 764 NE2 GLN A 44 23.480 15.966 -22.432 1.00 0.00 N ATOM 0 H GLN A 44 24.623 16.138 -17.193 1.00 0.00 H new ATOM 0 HA GLN A 44 22.652 18.066 -17.732 1.00 0.00 H new ATOM 0 HB2 GLN A 44 24.020 17.650 -19.541 1.00 0.00 H new ATOM 0 HB3 GLN A 44 24.129 15.932 -19.212 1.00 0.00 H new ATOM 0 HG2 GLN A 44 22.150 15.440 -20.335 1.00 0.00 H new ATOM 0 HG3 GLN A 44 21.482 17.042 -20.095 1.00 0.00 H new ATOM 0 HE21 GLN A 44 23.608 15.032 -22.043 1.00 0.00 H new ATOM 0 HE22 GLN A 44 23.820 16.179 -23.370 1.00 0.00 H new ATOM 773 N ARG A 45 21.579 14.938 -17.662 1.00 0.00 N ATOM 774 CA ARG A 45 20.381 14.114 -17.545 1.00 0.00 C ATOM 775 C ARG A 45 19.882 14.082 -16.103 1.00 0.00 C ATOM 776 O ARG A 45 18.777 13.616 -15.829 1.00 0.00 O ATOM 777 CB ARG A 45 20.665 12.692 -18.030 1.00 0.00 C ATOM 778 CG ARG A 45 19.429 11.808 -18.084 1.00 0.00 C ATOM 779 CD ARG A 45 19.720 10.485 -18.776 1.00 0.00 C ATOM 780 NE ARG A 45 18.613 9.542 -18.640 1.00 0.00 N ATOM 781 CZ ARG A 45 18.664 8.284 -19.061 1.00 0.00 C ATOM 782 NH1 ARG A 45 19.762 7.819 -19.641 1.00 0.00 N ATOM 783 NH2 ARG A 45 17.615 7.486 -18.902 1.00 0.00 N ATOM 0 H ARG A 45 22.453 14.413 -17.669 1.00 0.00 H new ATOM 0 HA ARG A 45 19.604 14.555 -18.170 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.112 12.738 -19.023 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.401 12.233 -17.371 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.071 11.619 -17.072 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.631 12.329 -18.613 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.916 10.664 -19.833 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.624 10.046 -18.354 1.00 0.00 H new ATOM 0 HE ARG A 45 17.754 9.868 -18.197 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.571 8.428 -19.765 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.798 6.852 -19.963 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.768 7.839 -18.456 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.656 6.520 -19.226 1.00 0.00 H new ATOM 797 N ALA A 46 20.706 14.579 -15.186 1.00 0.00 N ATOM 798 CA ALA A 46 20.348 14.608 -13.774 1.00 0.00 C ATOM 799 C ALA A 46 19.389 15.755 -13.474 1.00 0.00 C ATOM 800 O ALA A 46 18.424 15.591 -12.729 1.00 0.00 O ATOM 801 CB ALA A 46 21.599 14.725 -12.915 1.00 0.00 C ATOM 0 H ALA A 46 21.626 14.967 -15.396 1.00 0.00 H new ATOM 0 HA ALA A 46 19.841 13.673 -13.534 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.317 14.746 -11.862 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.249 13.870 -13.100 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.129 15.644 -13.167 1.00 0.00 H new ATOM 807 N ASN A 47 19.663 16.917 -14.058 1.00 0.00 N ATOM 808 CA ASN A 47 18.825 18.093 -13.851 1.00 0.00 C ATOM 809 C ASN A 47 18.118 18.490 -15.144 1.00 0.00 C ATOM 810 O ASN A 47 16.956 18.894 -15.129 1.00 0.00 O ATOM 811 CB ASN A 47 19.667 19.262 -13.338 1.00 0.00 C ATOM 812 CG ASN A 47 20.379 19.997 -14.457 1.00 0.00 C ATOM 813 OD1 ASN A 47 19.759 20.734 -15.223 1.00 0.00 O ATOM 814 ND2 ASN A 47 21.689 19.799 -14.555 1.00 0.00 N ATOM 0 H ASN A 47 20.458 17.070 -14.678 1.00 0.00 H new ATOM 0 HA ASN A 47 18.070 17.844 -13.105 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.025 19.960 -12.800 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.403 18.891 -12.625 1.00 0.00 H new ATOM 0 HD21 ASN A 47 22.222 20.267 -15.288 1.00 0.00 H new ATOM 0 HD22 ASN A 47 22.162 19.179 -13.897 1.00 0.00 H new ATOM 821 N GLY A 48 18.828 18.371 -16.261 1.00 0.00 N ATOM 822 CA GLY A 48 18.252 18.721 -17.547 1.00 0.00 C ATOM 823 C GLY A 48 19.009 19.838 -18.236 1.00 0.00 C ATOM 824 O GLY A 48 18.454 20.546 -19.078 1.00 0.00 O ATOM 0 H GLY A 48 19.792 18.039 -16.299 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.244 17.841 -18.190 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.214 19.022 -17.407 1.00 0.00 H new ATOM 828 N ARG A 49 20.279 19.999 -17.879 1.00 0.00 N ATOM 829 CA ARG A 49 21.112 21.041 -18.467 1.00 0.00 C ATOM 830 C ARG A 49 22.552 20.928 -17.976 1.00 0.00 C ATOM 831 O ARG A 49 22.833 20.226 -17.006 1.00 0.00 O ATOM 832 CB ARG A 49 20.553 22.424 -18.127 1.00 0.00 C ATOM 833 CG ARG A 49 20.981 23.510 -19.100 1.00 0.00 C ATOM 834 CD ARG A 49 20.048 24.710 -19.040 1.00 0.00 C ATOM 835 NE ARG A 49 20.531 25.733 -18.116 1.00 0.00 N ATOM 836 CZ ARG A 49 19.812 26.787 -17.746 1.00 0.00 C ATOM 837 NH1 ARG A 49 18.586 26.957 -18.219 1.00 0.00 N ATOM 838 NH2 ARG A 49 20.321 27.675 -16.900 1.00 0.00 N ATOM 0 H ARG A 49 20.754 19.421 -17.185 1.00 0.00 H new ATOM 0 HA ARG A 49 21.104 20.910 -19.549 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.464 22.372 -18.109 1.00 0.00 H new ATOM 0 HB3 ARG A 49 20.875 22.700 -17.123 1.00 0.00 H new ATOM 0 HG2 ARG A 49 21.998 23.827 -18.869 1.00 0.00 H new ATOM 0 HG3 ARG A 49 20.994 23.108 -20.113 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.946 25.140 -20.036 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.055 24.382 -18.731 1.00 0.00 H new ATOM 0 HE ARG A 49 21.471 25.633 -17.734 1.00 0.00 H new ATOM 0 HH11 ARG A 49 18.191 26.277 -18.869 1.00 0.00 H new ATOM 0 HH12 ARG A 49 18.037 27.767 -17.933 1.00 0.00 H new ATOM 0 HH21 ARG A 49 21.265 27.548 -16.534 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.768 28.484 -16.616 1.00 0.00 H new ATOM 852 N ASN A 50 23.459 21.624 -18.653 1.00 0.00 N ATOM 853 CA ASN A 50 24.870 21.601 -18.285 1.00 0.00 C ATOM 854 C ASN A 50 25.271 22.894 -17.582 1.00 0.00 C ATOM 855 O ASN A 50 24.950 23.991 -18.042 1.00 0.00 O ATOM 856 CB ASN A 50 25.739 21.393 -19.528 1.00 0.00 C ATOM 857 CG ASN A 50 25.046 20.553 -20.583 1.00 0.00 C ATOM 858 OD1 ASN A 50 25.429 19.284 -20.673 1.00 0.00 O flip ATOM 859 ND2 ASN A 50 24.178 21.038 -21.308 1.00 0.00 N flip ATOM 0 H ASN A 50 23.243 22.211 -19.459 1.00 0.00 H new ATOM 0 HA ASN A 50 25.026 20.771 -17.596 1.00 0.00 H new ATOM 0 HB2 ASN A 50 25.999 22.363 -19.953 1.00 0.00 H new ATOM 0 HB3 ASN A 50 26.673 20.911 -19.239 1.00 0.00 H new ATOM 0 HD21 ASN A 50 23.915 22.018 -21.204 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.721 20.460 -22.013 1.00 0.00 H new ATOM 866 N THR A 51 25.975 22.759 -16.462 1.00 0.00 N ATOM 867 CA THR A 51 26.419 23.916 -15.694 1.00 0.00 C ATOM 868 C THR A 51 27.518 23.533 -14.710 1.00 0.00 C ATOM 869 O THR A 51 28.042 22.419 -14.751 1.00 0.00 O ATOM 870 CB THR A 51 25.252 24.557 -14.919 1.00 0.00 C ATOM 871 OG1 THR A 51 24.011 23.974 -15.331 1.00 0.00 O ATOM 872 CG2 THR A 51 25.213 26.060 -15.148 1.00 0.00 C ATOM 0 H THR A 51 26.250 21.860 -16.067 1.00 0.00 H new ATOM 0 HA THR A 51 26.811 24.639 -16.409 1.00 0.00 H new ATOM 0 HB THR A 51 25.404 24.371 -13.856 1.00 0.00 H new ATOM 0 HG1 THR A 51 23.275 24.386 -14.833 1.00 0.00 H new ATOM 0 HG21 THR A 51 24.381 26.491 -14.591 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.148 26.504 -14.806 1.00 0.00 H new ATOM 0 HG23 THR A 51 25.082 26.263 -16.211 1.00 0.00 H new ATOM 880 N PHE A 52 27.863 24.462 -13.825 1.00 0.00 N ATOM 881 CA PHE A 52 28.901 24.221 -12.829 1.00 0.00 C ATOM 882 C PHE A 52 28.536 23.038 -11.938 1.00 0.00 C ATOM 883 O PHE A 52 27.370 22.666 -11.803 1.00 0.00 O ATOM 884 CB PHE A 52 29.117 25.471 -11.974 1.00 0.00 C ATOM 885 CG PHE A 52 27.838 26.099 -11.496 1.00 0.00 C ATOM 886 CD1 PHE A 52 27.120 25.533 -10.455 1.00 0.00 C ATOM 887 CD2 PHE A 52 27.354 27.254 -12.088 1.00 0.00 C ATOM 888 CE1 PHE A 52 25.943 26.107 -10.014 1.00 0.00 C ATOM 889 CE2 PHE A 52 26.178 27.833 -11.652 1.00 0.00 C ATOM 890 CZ PHE A 52 25.472 27.260 -10.612 1.00 0.00 C ATOM 0 H PHE A 52 27.439 25.389 -13.777 1.00 0.00 H new ATOM 0 HA PHE A 52 29.826 23.985 -13.355 1.00 0.00 H new ATOM 0 HB2 PHE A 52 29.729 25.210 -11.111 1.00 0.00 H new ATOM 0 HB3 PHE A 52 29.679 26.205 -12.552 1.00 0.00 H new ATOM 0 HD1 PHE A 52 27.484 24.633 -9.983 1.00 0.00 H new ATOM 0 HD2 PHE A 52 27.903 27.707 -12.900 1.00 0.00 H new ATOM 0 HE1 PHE A 52 25.392 25.655 -9.203 1.00 0.00 H new ATOM 0 HE2 PHE A 52 25.811 28.733 -12.124 1.00 0.00 H new ATOM 0 HZ PHE A 52 24.554 27.712 -10.267 1.00 0.00 H new ATOM 900 N PRO A 53 29.557 22.430 -11.314 1.00 0.00 N ATOM 901 CA PRO A 53 29.369 21.280 -10.425 1.00 0.00 C ATOM 902 C PRO A 53 28.672 21.662 -9.123 1.00 0.00 C ATOM 903 O PRO A 53 28.673 22.827 -8.728 1.00 0.00 O ATOM 904 CB PRO A 53 30.799 20.809 -10.148 1.00 0.00 C ATOM 905 CG PRO A 53 31.642 22.021 -10.346 1.00 0.00 C ATOM 906 CD PRO A 53 30.972 22.820 -11.429 1.00 0.00 C ATOM 0 HA PRO A 53 28.734 20.517 -10.874 1.00 0.00 H new ATOM 0 HB2 PRO A 53 30.898 20.419 -9.135 1.00 0.00 H new ATOM 0 HB3 PRO A 53 31.091 20.008 -10.828 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.717 22.599 -9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 53 32.657 21.747 -10.634 1.00 0.00 H new ATOM 0 HD2 PRO A 53 31.107 23.891 -11.280 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.376 22.582 -12.413 1.00 0.00 H new ATOM 914 N GLN A 54 28.080 20.672 -8.463 1.00 0.00 N ATOM 915 CA GLN A 54 27.380 20.905 -7.205 1.00 0.00 C ATOM 916 C GLN A 54 26.900 19.591 -6.598 1.00 0.00 C ATOM 917 O GLN A 54 27.136 18.517 -7.151 1.00 0.00 O ATOM 918 CB GLN A 54 26.191 21.843 -7.426 1.00 0.00 C ATOM 919 CG GLN A 54 24.941 21.134 -7.921 1.00 0.00 C ATOM 920 CD GLN A 54 25.222 20.195 -9.077 1.00 0.00 C ATOM 921 OE1 GLN A 54 25.858 20.575 -10.061 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.750 18.959 -8.964 1.00 0.00 N ATOM 0 H GLN A 54 28.071 19.702 -8.778 1.00 0.00 H new ATOM 0 HA GLN A 54 28.078 21.371 -6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.963 22.353 -6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.473 22.610 -8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.498 20.571 -7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 54 24.206 21.876 -8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.228 18.687 -8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 54 24.909 18.282 -9.710 1.00 0.00 H new ATOM 931 N ILE A 55 26.226 19.685 -5.456 1.00 0.00 N ATOM 932 CA ILE A 55 25.713 18.503 -4.774 1.00 0.00 C ATOM 933 C ILE A 55 24.266 18.226 -5.168 1.00 0.00 C ATOM 934 O ILE A 55 23.381 19.051 -4.941 1.00 0.00 O ATOM 935 CB ILE A 55 25.797 18.656 -3.244 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.244 18.903 -2.812 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.237 17.419 -2.557 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.640 20.362 -2.834 1.00 0.00 C ATOM 0 H ILE A 55 26.023 20.566 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 55 26.337 17.664 -5.082 1.00 0.00 H new ATOM 0 HB ILE A 55 25.198 19.516 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.386 18.512 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.911 18.344 -3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.303 17.542 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.194 17.284 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.812 16.544 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.678 20.462 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.531 20.753 -3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.997 20.924 -2.156 1.00 0.00 H new ATOM 950 N PHE A 56 24.032 17.058 -5.758 1.00 0.00 N ATOM 951 CA PHE A 56 22.692 16.671 -6.183 1.00 0.00 C ATOM 952 C PHE A 56 22.009 15.818 -5.118 1.00 0.00 C ATOM 953 O PHE A 56 22.667 15.079 -4.384 1.00 0.00 O ATOM 954 CB PHE A 56 22.755 15.903 -7.504 1.00 0.00 C ATOM 955 CG PHE A 56 21.809 16.426 -8.547 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.439 16.297 -8.385 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.289 17.047 -9.689 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.566 16.776 -9.343 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.421 17.528 -10.651 1.00 0.00 C ATOM 960 CZ PHE A 56 20.057 17.394 -10.477 1.00 0.00 C ATOM 0 H PHE A 56 24.753 16.363 -5.952 1.00 0.00 H new ATOM 0 HA PHE A 56 22.107 17.579 -6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.772 15.947 -7.893 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.531 14.853 -7.316 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.049 15.817 -7.500 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.354 17.156 -9.829 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.500 16.667 -9.205 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.808 18.008 -11.538 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.376 17.771 -11.226 1.00 0.00 H new ATOM 970 N ILE A 57 20.687 15.927 -5.039 1.00 0.00 N ATOM 971 CA ILE A 57 19.915 15.165 -4.065 1.00 0.00 C ATOM 972 C ILE A 57 18.647 14.597 -4.692 1.00 0.00 C ATOM 973 O ILE A 57 17.602 15.247 -4.704 1.00 0.00 O ATOM 974 CB ILE A 57 19.531 16.031 -2.851 1.00 0.00 C ATOM 975 CG1 ILE A 57 20.783 16.630 -2.207 1.00 0.00 C ATOM 976 CG2 ILE A 57 18.751 15.206 -1.838 1.00 0.00 C ATOM 977 CD1 ILE A 57 20.488 17.774 -1.263 1.00 0.00 C ATOM 0 H ILE A 57 20.128 16.535 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 57 20.550 14.345 -3.730 1.00 0.00 H new ATOM 0 HB ILE A 57 18.895 16.848 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 57 21.312 15.847 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 57 21.453 16.981 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.487 15.832 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.842 14.823 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 57 19.364 14.371 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.421 18.149 -0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.987 18.575 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.843 17.424 -0.457 1.00 0.00 H new ATOM 989 N GLY A 58 18.746 13.377 -5.213 1.00 0.00 N ATOM 990 CA GLY A 58 17.599 12.740 -5.833 1.00 0.00 C ATOM 991 C GLY A 58 17.163 13.442 -7.104 1.00 0.00 C ATOM 992 O GLY A 58 17.587 13.076 -8.200 1.00 0.00 O ATOM 0 H GLY A 58 19.600 12.819 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.842 11.702 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.769 12.726 -5.126 1.00 0.00 H new ATOM 996 N ASP A 59 16.313 14.453 -6.958 1.00 0.00 N ATOM 997 CA ASP A 59 15.818 15.208 -8.103 1.00 0.00 C ATOM 998 C ASP A 59 15.966 16.708 -7.870 1.00 0.00 C ATOM 999 O ASP A 59 15.363 17.518 -8.574 1.00 0.00 O ATOM 1000 CB ASP A 59 14.353 14.863 -8.375 1.00 0.00 C ATOM 1001 CG ASP A 59 13.957 15.110 -9.817 1.00 0.00 C ATOM 1002 OD1 ASP A 59 14.863 15.256 -10.664 1.00 0.00 O ATOM 1003 OD2 ASP A 59 12.742 15.157 -10.099 1.00 0.00 O ATOM 0 H ASP A 59 15.952 14.768 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 59 16.415 14.933 -8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.178 13.816 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.716 15.457 -7.720 1.00 0.00 H new ATOM 1008 N TYR A 60 16.771 17.070 -6.878 1.00 0.00 N ATOM 1009 CA TYR A 60 16.996 18.473 -6.550 1.00 0.00 C ATOM 1010 C TYR A 60 18.488 18.782 -6.469 1.00 0.00 C ATOM 1011 O TYR A 60 19.243 18.081 -5.795 1.00 0.00 O ATOM 1012 CB TYR A 60 16.319 18.823 -5.223 1.00 0.00 C ATOM 1013 CG TYR A 60 16.871 20.070 -4.571 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.355 21.324 -4.875 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.910 19.994 -3.651 1.00 0.00 C ATOM 1016 CE1 TYR A 60 16.858 22.466 -4.282 1.00 0.00 C ATOM 1017 CE2 TYR A 60 18.418 21.131 -3.052 1.00 0.00 C ATOM 1018 CZ TYR A 60 17.889 22.364 -3.372 1.00 0.00 C ATOM 1019 OH TYR A 60 18.391 23.500 -2.778 1.00 0.00 O ATOM 0 H TYR A 60 17.279 16.412 -6.287 1.00 0.00 H new ATOM 0 HA TYR A 60 16.561 19.079 -7.344 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.251 18.955 -5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.430 17.984 -4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.547 21.407 -5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.327 19.030 -3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.446 23.433 -4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 60 19.224 21.055 -2.338 1.00 0.00 H new ATOM 0 HH TYR A 60 19.113 23.255 -2.162 1.00 0.00 H new ATOM 1029 N HIS A 61 18.905 19.837 -7.160 1.00 0.00 N ATOM 1030 CA HIS A 61 20.307 20.241 -7.167 1.00 0.00 C ATOM 1031 C HIS A 61 20.544 21.394 -6.195 1.00 0.00 C ATOM 1032 O HIS A 61 20.000 22.485 -6.365 1.00 0.00 O ATOM 1033 CB HIS A 61 20.735 20.650 -8.576 1.00 0.00 C ATOM 1034 CG HIS A 61 19.784 21.599 -9.240 1.00 0.00 C ATOM 1035 ND1 HIS A 61 18.659 21.183 -9.920 1.00 0.00 N ATOM 1036 CD2 HIS A 61 19.795 22.950 -9.323 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.020 22.237 -10.394 1.00 0.00 C ATOM 1038 NE2 HIS A 61 18.688 23.322 -10.046 1.00 0.00 N ATOM 0 H HIS A 61 18.293 20.428 -7.722 1.00 0.00 H new ATOM 0 HA HIS A 61 20.907 19.389 -6.847 1.00 0.00 H new ATOM 0 HB2 HIS A 61 21.721 21.112 -8.528 1.00 0.00 H new ATOM 0 HB3 HIS A 61 20.832 19.756 -9.191 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.536 23.612 -8.900 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.106 22.215 -10.969 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.425 24.280 -10.277 1.00 0.00 H new ATOM 1046 N VAL A 62 21.360 21.144 -5.176 1.00 0.00 N ATOM 1047 CA VAL A 62 21.670 22.160 -4.178 1.00 0.00 C ATOM 1048 C VAL A 62 22.365 23.360 -4.812 1.00 0.00 C ATOM 1049 O VAL A 62 21.763 24.418 -4.986 1.00 0.00 O ATOM 1050 CB VAL A 62 22.566 21.594 -3.060 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.932 22.685 -2.065 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.875 20.434 -2.360 1.00 0.00 C ATOM 0 H VAL A 62 21.818 20.246 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 62 20.721 22.479 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 62 23.486 21.222 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.565 22.266 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.470 23.481 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.024 23.090 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.522 20.046 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.938 20.779 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.669 19.644 -3.082 1.00 0.00 H new ATOM 1062 N GLY A 63 23.637 23.186 -5.156 1.00 0.00 N ATOM 1063 CA GLY A 63 24.394 24.263 -5.768 1.00 0.00 C ATOM 1064 C GLY A 63 25.683 24.560 -5.028 1.00 0.00 C ATOM 1065 O GLY A 63 26.514 25.334 -5.500 1.00 0.00 O ATOM 0 H GLY A 63 24.157 22.319 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.624 24.000 -6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 63 23.780 25.163 -5.797 1.00 0.00 H new ATOM 1069 N GLY A 64 25.849 23.944 -3.861 1.00 0.00 N ATOM 1070 CA GLY A 64 27.047 24.161 -3.072 1.00 0.00 C ATOM 1071 C GLY A 64 27.099 23.277 -1.842 1.00 0.00 C ATOM 1072 O GLY A 64 26.110 22.632 -1.490 1.00 0.00 O ATOM 0 H GLY A 64 25.175 23.299 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 64 27.925 23.971 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.093 25.206 -2.767 1.00 0.00 H new ATOM 1076 N CYS A 65 28.254 23.244 -1.187 1.00 0.00 N ATOM 1077 CA CYS A 65 28.431 22.430 0.011 1.00 0.00 C ATOM 1078 C CYS A 65 27.895 23.152 1.243 1.00 0.00 C ATOM 1079 O CYS A 65 27.102 22.597 2.004 1.00 0.00 O ATOM 1080 CB CYS A 65 29.909 22.090 0.207 1.00 0.00 C ATOM 1081 SG CYS A 65 30.732 21.487 -1.286 1.00 0.00 S ATOM 0 H CYS A 65 29.082 23.771 -1.465 1.00 0.00 H new ATOM 0 HA CYS A 65 27.867 21.506 -0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.431 22.978 0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 65 29.997 21.334 0.988 1.00 0.00 H new ATOM 0 HG CYS A 65 30.450 20.230 -1.459 1.00 0.00 H new ATOM 1087 N ASP A 66 28.334 24.391 1.434 1.00 0.00 N ATOM 1088 CA ASP A 66 27.899 25.189 2.575 1.00 0.00 C ATOM 1089 C ASP A 66 26.377 25.266 2.635 1.00 0.00 C ATOM 1090 O ASP A 66 25.798 25.466 3.703 1.00 0.00 O ATOM 1091 CB ASP A 66 28.491 26.597 2.494 1.00 0.00 C ATOM 1092 CG ASP A 66 27.869 27.424 1.386 1.00 0.00 C ATOM 1093 OD1 ASP A 66 28.216 27.194 0.209 1.00 0.00 O ATOM 1094 OD2 ASP A 66 27.035 28.301 1.696 1.00 0.00 O ATOM 0 H ASP A 66 28.991 24.865 0.814 1.00 0.00 H new ATOM 0 HA ASP A 66 28.256 24.705 3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.345 27.105 3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 66 29.566 26.527 2.331 1.00 0.00 H new ATOM 1099 N ASP A 67 25.736 25.106 1.483 1.00 0.00 N ATOM 1100 CA ASP A 67 24.280 25.157 1.405 1.00 0.00 C ATOM 1101 C ASP A 67 23.659 23.906 2.017 1.00 0.00 C ATOM 1102 O ASP A 67 22.647 23.980 2.715 1.00 0.00 O ATOM 1103 CB ASP A 67 23.832 25.305 -0.050 1.00 0.00 C ATOM 1104 CG ASP A 67 23.577 26.750 -0.433 1.00 0.00 C ATOM 1105 OD1 ASP A 67 22.683 27.376 0.174 1.00 0.00 O ATOM 1106 OD2 ASP A 67 24.271 27.254 -1.340 1.00 0.00 O ATOM 0 H ASP A 67 26.201 24.940 0.590 1.00 0.00 H new ATOM 0 HA ASP A 67 23.940 26.024 1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.595 24.887 -0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.923 24.724 -0.208 1.00 0.00 H new ATOM 1111 N LEU A 68 24.270 22.757 1.750 1.00 0.00 N ATOM 1112 CA LEU A 68 23.777 21.488 2.274 1.00 0.00 C ATOM 1113 C LEU A 68 23.983 21.405 3.783 1.00 0.00 C ATOM 1114 O LEU A 68 23.142 20.870 4.506 1.00 0.00 O ATOM 1115 CB LEU A 68 24.485 20.320 1.586 1.00 0.00 C ATOM 1116 CG LEU A 68 25.748 19.801 2.275 1.00 0.00 C ATOM 1117 CD1 LEU A 68 25.390 18.797 3.360 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.692 19.176 1.258 1.00 0.00 C ATOM 0 H LEU A 68 25.108 22.678 1.174 1.00 0.00 H new ATOM 0 HA LEU A 68 22.708 21.429 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.779 19.495 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.747 20.626 0.573 1.00 0.00 H new ATOM 0 HG LEU A 68 26.256 20.644 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.301 18.439 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.753 19.276 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.859 17.955 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.585 18.812 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 68 26.193 18.344 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.975 19.924 0.517 1.00 0.00 H new ATOM 1130 N TYR A 69 25.105 21.939 4.252 1.00 0.00 N ATOM 1131 CA TYR A 69 25.421 21.925 5.675 1.00 0.00 C ATOM 1132 C TYR A 69 24.527 22.896 6.442 1.00 0.00 C ATOM 1133 O TYR A 69 23.883 22.522 7.421 1.00 0.00 O ATOM 1134 CB TYR A 69 26.891 22.286 5.896 1.00 0.00 C ATOM 1135 CG TYR A 69 27.847 21.474 5.052 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.750 20.089 4.996 1.00 0.00 C ATOM 1137 CD2 TYR A 69 28.849 22.090 4.312 1.00 0.00 C ATOM 1138 CE1 TYR A 69 28.622 19.342 4.227 1.00 0.00 C ATOM 1139 CE2 TYR A 69 29.724 21.352 3.540 1.00 0.00 C ATOM 1140 CZ TYR A 69 29.606 19.978 3.500 1.00 0.00 C ATOM 1141 OH TYR A 69 30.477 19.239 2.733 1.00 0.00 O ATOM 0 H TYR A 69 25.811 22.387 3.668 1.00 0.00 H new ATOM 0 HA TYR A 69 25.240 20.918 6.051 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.034 23.344 5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.137 22.143 6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.980 19.588 5.563 1.00 0.00 H new ATOM 0 HD2 TYR A 69 28.945 23.165 4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 69 28.533 18.266 4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 69 30.496 21.848 2.971 1.00 0.00 H new ATOM 0 HH TYR A 69 31.350 19.685 2.708 1.00 0.00 H new ATOM 1151 N ALA A 70 24.494 24.144 5.987 1.00 0.00 N ATOM 1152 CA ALA A 70 23.678 25.168 6.627 1.00 0.00 C ATOM 1153 C ALA A 70 22.205 24.774 6.630 1.00 0.00 C ATOM 1154 O ALA A 70 21.551 24.785 7.674 1.00 0.00 O ATOM 1155 CB ALA A 70 23.867 26.507 5.928 1.00 0.00 C ATOM 0 H ALA A 70 25.023 24.470 5.178 1.00 0.00 H new ATOM 0 HA ALA A 70 24.004 25.262 7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 70 23.252 27.263 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.915 26.801 5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.570 26.417 4.883 1.00 0.00 H new ATOM 1161 N LEU A 71 21.688 24.428 5.457 1.00 0.00 N ATOM 1162 CA LEU A 71 20.290 24.031 5.324 1.00 0.00 C ATOM 1163 C LEU A 71 19.975 22.839 6.222 1.00 0.00 C ATOM 1164 O LEU A 71 18.976 22.838 6.940 1.00 0.00 O ATOM 1165 CB LEU A 71 19.974 23.685 3.868 1.00 0.00 C ATOM 1166 CG LEU A 71 19.900 24.865 2.899 1.00 0.00 C ATOM 1167 CD1 LEU A 71 19.780 24.372 1.465 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.730 25.772 3.252 1.00 0.00 C ATOM 0 H LEU A 71 22.215 24.414 4.584 1.00 0.00 H new ATOM 0 HA LEU A 71 19.668 24.871 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.734 22.991 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.021 23.157 3.840 1.00 0.00 H new ATOM 0 HG LEU A 71 20.821 25.441 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.729 25.226 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.649 23.764 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.876 23.772 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.693 26.607 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.800 25.206 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.858 26.154 4.265 1.00 0.00 H new ATOM 1180 N GLU A 72 20.836 21.826 6.176 1.00 0.00 N ATOM 1181 CA GLU A 72 20.649 20.629 6.987 1.00 0.00 C ATOM 1182 C GLU A 72 20.548 20.985 8.468 1.00 0.00 C ATOM 1183 O GLU A 72 19.751 20.404 9.203 1.00 0.00 O ATOM 1184 CB GLU A 72 21.803 19.650 6.765 1.00 0.00 C ATOM 1185 CG GLU A 72 21.846 18.519 7.778 1.00 0.00 C ATOM 1186 CD GLU A 72 22.606 18.891 9.036 1.00 0.00 C ATOM 1187 OE1 GLU A 72 23.383 19.868 8.994 1.00 0.00 O ATOM 1188 OE2 GLU A 72 22.423 18.205 10.064 1.00 0.00 O ATOM 0 H GLU A 72 21.668 21.811 5.586 1.00 0.00 H new ATOM 0 HA GLU A 72 19.716 20.156 6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.721 19.227 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.745 20.197 6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.828 18.235 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 72 22.311 17.645 7.322 1.00 0.00 H new ATOM 1195 N ASN A 73 21.362 21.944 8.897 1.00 0.00 N ATOM 1196 CA ASN A 73 21.366 22.377 10.289 1.00 0.00 C ATOM 1197 C ASN A 73 20.294 23.435 10.532 1.00 0.00 C ATOM 1198 O ASN A 73 19.980 23.766 11.676 1.00 0.00 O ATOM 1199 CB ASN A 73 22.740 22.931 10.669 1.00 0.00 C ATOM 1200 CG ASN A 73 22.987 22.891 12.165 1.00 0.00 C ATOM 1201 OD1 ASN A 73 22.902 21.835 12.791 1.00 0.00 O ATOM 1202 ND2 ASN A 73 23.294 24.045 12.745 1.00 0.00 N ATOM 0 H ASN A 73 22.027 22.436 8.300 1.00 0.00 H new ATOM 0 HA ASN A 73 21.146 21.511 10.913 1.00 0.00 H new ATOM 0 HB2 ASN A 73 23.514 22.356 10.160 1.00 0.00 H new ATOM 0 HB3 ASN A 73 22.824 23.959 10.317 1.00 0.00 H new ATOM 0 HD21 ASN A 73 23.470 24.080 13.749 1.00 0.00 H new ATOM 0 HD22 ASN A 73 23.353 24.897 12.187 1.00 0.00 H new ATOM 1209 N LYS A 74 19.734 23.962 9.449 1.00 0.00 N ATOM 1210 CA LYS A 74 18.695 24.981 9.542 1.00 0.00 C ATOM 1211 C LYS A 74 17.318 24.342 9.689 1.00 0.00 C ATOM 1212 O LYS A 74 16.383 24.967 10.188 1.00 0.00 O ATOM 1213 CB LYS A 74 18.723 25.882 8.306 1.00 0.00 C ATOM 1214 CG LYS A 74 19.231 27.285 8.586 1.00 0.00 C ATOM 1215 CD LYS A 74 20.211 27.748 7.521 1.00 0.00 C ATOM 1216 CE LYS A 74 19.508 28.025 6.200 1.00 0.00 C ATOM 1217 NZ LYS A 74 19.942 29.318 5.602 1.00 0.00 N ATOM 0 H LYS A 74 19.983 23.700 8.495 1.00 0.00 H new ATOM 0 HA LYS A 74 18.892 25.585 10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 74 19.354 25.422 7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.717 25.945 7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.389 27.975 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.715 27.309 9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.719 28.651 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.977 26.987 7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.715 27.214 5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 74 18.430 28.042 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.441 29.471 4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.722 30.095 6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.967 29.293 5.427 1.00 0.00 H new ATOM 1231 N GLY A 75 17.200 23.093 9.250 1.00 0.00 N ATOM 1232 CA GLY A 75 15.934 22.390 9.343 1.00 0.00 C ATOM 1233 C GLY A 75 15.625 21.585 8.096 1.00 0.00 C ATOM 1234 O GLY A 75 14.650 20.834 8.058 1.00 0.00 O ATOM 0 H GLY A 75 17.959 22.555 8.831 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.954 21.724 10.206 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.134 23.110 9.515 1.00 0.00 H new ATOM 1238 N LYS A 76 16.456 21.742 7.071 1.00 0.00 N ATOM 1239 CA LYS A 76 16.268 21.025 5.816 1.00 0.00 C ATOM 1240 C LYS A 76 16.724 19.575 5.944 1.00 0.00 C ATOM 1241 O LYS A 76 16.608 18.791 5.001 1.00 0.00 O ATOM 1242 CB LYS A 76 17.040 21.715 4.689 1.00 0.00 C ATOM 1243 CG LYS A 76 16.473 23.071 4.306 1.00 0.00 C ATOM 1244 CD LYS A 76 15.032 22.960 3.837 1.00 0.00 C ATOM 1245 CE LYS A 76 14.670 24.085 2.879 1.00 0.00 C ATOM 1246 NZ LYS A 76 13.458 23.760 2.076 1.00 0.00 N ATOM 0 H LYS A 76 17.267 22.360 7.085 1.00 0.00 H new ATOM 0 HA LYS A 76 15.204 21.034 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.079 21.838 4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.040 21.069 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.527 23.744 5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.081 23.511 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.881 21.999 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.365 22.985 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.497 25.001 3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.509 24.276 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.244 24.551 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.632 22.900 1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.651 23.602 2.713 1.00 0.00 H new ATOM 1260 N LEU A 77 17.241 19.224 7.116 1.00 0.00 N ATOM 1261 CA LEU A 77 17.713 17.867 7.369 1.00 0.00 C ATOM 1262 C LEU A 77 16.637 16.843 7.024 1.00 0.00 C ATOM 1263 O LEU A 77 16.918 15.815 6.407 1.00 0.00 O ATOM 1264 CB LEU A 77 18.128 17.714 8.833 1.00 0.00 C ATOM 1265 CG LEU A 77 17.144 18.258 9.870 1.00 0.00 C ATOM 1266 CD1 LEU A 77 16.339 17.126 10.488 1.00 0.00 C ATOM 1267 CD2 LEU A 77 17.883 19.040 10.947 1.00 0.00 C ATOM 0 H LEU A 77 17.344 19.860 7.906 1.00 0.00 H new ATOM 0 HA LEU A 77 18.579 17.686 6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.290 16.655 9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 77 19.086 18.215 8.973 1.00 0.00 H new ATOM 0 HG LEU A 77 16.453 18.934 9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.645 17.533 11.223 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.780 16.609 9.708 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.014 16.424 10.977 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.168 19.420 11.676 1.00 0.00 H new ATOM 0 HD22 LEU A 77 18.597 18.386 11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 77 18.414 19.875 10.490 1.00 0.00 H new ATOM 1279 N ASP A 78 15.403 17.131 7.424 1.00 0.00 N ATOM 1280 CA ASP A 78 14.283 16.238 7.154 1.00 0.00 C ATOM 1281 C ASP A 78 14.220 15.877 5.673 1.00 0.00 C ATOM 1282 O ASP A 78 14.025 14.716 5.315 1.00 0.00 O ATOM 1283 CB ASP A 78 12.969 16.886 7.590 1.00 0.00 C ATOM 1284 CG ASP A 78 12.644 18.132 6.789 1.00 0.00 C ATOM 1285 OD1 ASP A 78 13.546 18.978 6.618 1.00 0.00 O ATOM 1286 OD2 ASP A 78 11.488 18.261 6.334 1.00 0.00 O ATOM 0 H ASP A 78 15.153 17.977 7.937 1.00 0.00 H new ATOM 0 HA ASP A 78 14.435 15.323 7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.158 16.166 7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.027 17.142 8.648 1.00 0.00 H new ATOM 1291 N SER A 79 14.385 16.881 4.817 1.00 0.00 N ATOM 1292 CA SER A 79 14.342 16.670 3.375 1.00 0.00 C ATOM 1293 C SER A 79 15.551 15.867 2.907 1.00 0.00 C ATOM 1294 O SER A 79 15.413 14.877 2.187 1.00 0.00 O ATOM 1295 CB SER A 79 14.293 18.013 2.644 1.00 0.00 C ATOM 1296 OG SER A 79 14.335 17.831 1.239 1.00 0.00 O ATOM 0 H SER A 79 14.550 17.848 5.097 1.00 0.00 H new ATOM 0 HA SER A 79 13.440 16.104 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.383 18.546 2.918 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.133 18.633 2.959 1.00 0.00 H new ATOM 0 HG SER A 79 14.301 18.704 0.795 1.00 0.00 H new ATOM 1302 N LEU A 80 16.737 16.299 3.320 1.00 0.00 N ATOM 1303 CA LEU A 80 17.973 15.621 2.944 1.00 0.00 C ATOM 1304 C LEU A 80 17.918 14.143 3.316 1.00 0.00 C ATOM 1305 O LEU A 80 18.247 13.275 2.506 1.00 0.00 O ATOM 1306 CB LEU A 80 19.170 16.286 3.625 1.00 0.00 C ATOM 1307 CG LEU A 80 19.936 17.310 2.786 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.755 16.613 1.711 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.977 18.313 2.162 1.00 0.00 C ATOM 0 H LEU A 80 16.869 17.116 3.916 1.00 0.00 H new ATOM 0 HA LEU A 80 18.088 15.700 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.819 16.779 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.866 15.506 3.935 1.00 0.00 H new ATOM 0 HG LEU A 80 20.619 17.850 3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.293 17.357 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.468 15.935 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.091 16.046 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.540 19.034 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.269 17.789 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.434 18.836 2.949 1.00 0.00 H new ATOM 1321 N LEU A 81 17.498 13.863 4.545 1.00 0.00 N ATOM 1322 CA LEU A 81 17.397 12.489 5.025 1.00 0.00 C ATOM 1323 C LEU A 81 16.356 11.709 4.228 1.00 0.00 C ATOM 1324 O LEU A 81 16.610 10.589 3.787 1.00 0.00 O ATOM 1325 CB LEU A 81 17.036 12.472 6.511 1.00 0.00 C ATOM 1326 CG LEU A 81 18.213 12.429 7.487 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.656 13.837 7.851 1.00 0.00 C ATOM 1328 CD2 LEU A 81 17.841 11.645 8.737 1.00 0.00 C ATOM 0 H LEU A 81 17.222 14.569 5.227 1.00 0.00 H new ATOM 0 HA LEU A 81 18.367 12.010 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.440 13.358 6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.401 11.607 6.700 1.00 0.00 H new ATOM 0 HG LEU A 81 19.046 11.923 6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.494 13.786 8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 81 18.964 14.366 6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.828 14.369 8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.690 11.625 9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.993 12.123 9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.573 10.625 8.461 1.00 0.00 H new ATOM 1340 N GLN A 82 15.185 12.311 4.047 1.00 0.00 N ATOM 1341 CA GLN A 82 14.106 11.673 3.302 1.00 0.00 C ATOM 1342 C GLN A 82 14.523 11.407 1.859 1.00 0.00 C ATOM 1343 O GLN A 82 13.991 10.512 1.203 1.00 0.00 O ATOM 1344 CB GLN A 82 12.851 12.548 3.329 1.00 0.00 C ATOM 1345 CG GLN A 82 12.100 12.492 4.650 1.00 0.00 C ATOM 1346 CD GLN A 82 11.574 11.105 4.964 1.00 0.00 C ATOM 1347 OE1 GLN A 82 10.476 10.736 4.546 1.00 0.00 O ATOM 1348 NE2 GLN A 82 12.356 10.328 5.703 1.00 0.00 N ATOM 0 H GLN A 82 14.959 13.239 4.406 1.00 0.00 H new ATOM 0 HA GLN A 82 13.885 10.718 3.779 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.133 13.581 3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.183 12.235 2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.761 12.816 5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.267 13.194 4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.259 10.675 6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.054 9.384 5.946 1.00 0.00 H new ATOM 1357 N ASP A 83 15.478 12.192 1.371 1.00 0.00 N ATOM 1358 CA ASP A 83 15.967 12.041 0.006 1.00 0.00 C ATOM 1359 C ASP A 83 17.079 10.998 -0.061 1.00 0.00 C ATOM 1360 O ASP A 83 16.944 9.973 -0.729 1.00 0.00 O ATOM 1361 CB ASP A 83 16.476 13.381 -0.527 1.00 0.00 C ATOM 1362 CG ASP A 83 15.347 14.318 -0.910 1.00 0.00 C ATOM 1363 OD1 ASP A 83 14.177 13.880 -0.884 1.00 0.00 O ATOM 1364 OD2 ASP A 83 15.633 15.489 -1.236 1.00 0.00 O ATOM 0 H ASP A 83 15.928 12.939 1.900 1.00 0.00 H new ATOM 0 HA ASP A 83 15.138 11.703 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.098 13.857 0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.110 13.206 -1.396 1.00 0.00 H new ATOM 1369 N VAL A 84 18.179 11.268 0.635 1.00 0.00 N ATOM 1370 CA VAL A 84 19.314 10.353 0.655 1.00 0.00 C ATOM 1371 C VAL A 84 18.876 8.940 1.023 1.00 0.00 C ATOM 1372 O VAL A 84 19.473 7.958 0.582 1.00 0.00 O ATOM 1373 CB VAL A 84 20.393 10.820 1.650 1.00 0.00 C ATOM 1374 CG1 VAL A 84 20.987 12.149 1.210 1.00 0.00 C ATOM 1375 CG2 VAL A 84 19.814 10.924 3.053 1.00 0.00 C ATOM 0 H VAL A 84 18.308 12.113 1.192 1.00 0.00 H new ATOM 0 HA VAL A 84 19.734 10.349 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 84 21.193 10.080 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.747 12.462 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.440 12.037 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.200 12.902 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.590 11.255 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 84 18.995 11.643 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.442 9.949 3.366 1.00 0.00 H new ATOM 1385 N HIS A 85 17.827 8.845 1.835 1.00 0.00 N ATOM 1386 CA HIS A 85 17.306 7.551 2.262 1.00 0.00 C ATOM 1387 C HIS A 85 16.862 6.721 1.062 1.00 0.00 C ATOM 1388 O HIS A 85 16.159 5.721 1.212 1.00 0.00 O ATOM 1389 CB HIS A 85 16.136 7.742 3.227 1.00 0.00 C ATOM 1390 CG HIS A 85 16.550 7.824 4.663 1.00 0.00 C ATOM 1391 ND1 HIS A 85 15.836 8.523 5.614 1.00 0.00 N ATOM 1392 CD2 HIS A 85 17.612 7.289 5.310 1.00 0.00 C ATOM 1393 CE1 HIS A 85 16.442 8.415 6.783 1.00 0.00 C ATOM 1394 NE2 HIS A 85 17.522 7.671 6.626 1.00 0.00 N ATOM 0 H HIS A 85 17.322 9.648 2.210 1.00 0.00 H new ATOM 0 HA HIS A 85 18.106 7.016 2.774 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.600 8.653 2.960 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.437 6.914 3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.386 6.676 4.873 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.111 8.860 7.710 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.182 7.421 7.362 1.00 0.00 H new