USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 675 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 69 SER OG : rot 157:sc= -1.13 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0.00619 USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= -0.629 (180deg=-2.68!) USER MOD Single : A 10 HIS : no HD1:sc= -0.664 K(o=-0.66,f=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.0033) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0534 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 92:sc= 0.692 USER MOD Single : A 30 HIS : no HD1:sc= -0.0029 X(o=-0.0029,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 64:sc= 0.792 USER MOD Single : A 34 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 43 HIS : no HD1:sc= -2.55 K(o=-2.6,f=-0.98) USER MOD Single : A 44 TYR OH : rot -74:sc= 0.00372 USER MOD Single : A 45 MET CE :methyl -165:sc= -1.45 (180deg=-1.9) USER MOD Single : A 46 ASN : amide:sc= -0.0335 K(o=-0.034,f=-2.1!) USER MOD Single : A 47 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.7!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.103 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0799 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.314 USER MOD Single : A 81 SER OG : rot 25:sc= 0.22 USER MOD Single : A 82 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 1.540 -17.379 2.881 1.00 0.00 N ATOM 30 CA ASP A 3 0.737 -16.240 3.340 1.00 0.00 C ATOM 31 C ASP A 3 1.595 -14.987 3.497 1.00 0.00 C ATOM 32 O ASP A 3 2.481 -14.928 4.352 1.00 0.00 O ATOM 33 CB ASP A 3 0.025 -16.562 4.660 1.00 0.00 C ATOM 34 CG ASP A 3 -1.467 -16.757 4.478 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.862 -17.721 3.788 1.00 0.00 O ATOM 36 OD2 ASP A 3 -2.244 -15.941 5.020 1.00 0.00 O ATOM 0 HA ASP A 3 -0.018 -16.046 2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.457 -17.465 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.199 -15.754 5.370 1.00 0.00 H new ATOM 41 N VAL A 4 1.321 -13.985 2.661 1.00 0.00 N ATOM 42 CA VAL A 4 2.056 -12.724 2.694 1.00 0.00 C ATOM 43 C VAL A 4 1.448 -11.763 3.714 1.00 0.00 C ATOM 44 O VAL A 4 0.343 -11.252 3.519 1.00 0.00 O ATOM 45 CB VAL A 4 2.075 -12.039 1.306 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.004 -10.830 1.317 1.00 0.00 C ATOM 47 CG2 VAL A 4 2.489 -13.025 0.221 1.00 0.00 C ATOM 0 H VAL A 4 0.591 -14.025 1.950 1.00 0.00 H new ATOM 0 HA VAL A 4 3.079 -12.963 2.984 1.00 0.00 H new ATOM 0 HB VAL A 4 1.065 -11.694 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.004 -10.362 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.658 -10.112 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.016 -11.151 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.495 -12.521 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.487 -13.407 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.782 -13.854 0.193 1.00 0.00 H new ATOM 57 N ARG A 5 2.179 -11.522 4.801 1.00 0.00 N ATOM 58 CA ARG A 5 1.719 -10.620 5.854 1.00 0.00 C ATOM 59 C ARG A 5 2.119 -9.179 5.543 1.00 0.00 C ATOM 60 O ARG A 5 3.299 -8.826 5.616 1.00 0.00 O ATOM 61 CB ARG A 5 2.301 -11.045 7.208 1.00 0.00 C ATOM 62 CG ARG A 5 1.282 -11.671 8.147 1.00 0.00 C ATOM 63 CD ARG A 5 1.947 -12.633 9.119 1.00 0.00 C ATOM 64 NE ARG A 5 1.791 -14.026 8.705 1.00 0.00 N ATOM 65 CZ ARG A 5 0.673 -14.738 8.880 1.00 0.00 C ATOM 66 NH1 ARG A 5 -0.395 -14.188 9.454 1.00 0.00 N ATOM 67 NH2 ARG A 5 0.624 -16.002 8.477 1.00 0.00 N ATOM 0 H ARG A 5 3.093 -11.940 4.975 1.00 0.00 H new ATOM 0 HA ARG A 5 0.631 -10.676 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.109 -11.757 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.740 -10.174 7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.766 -10.888 8.702 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.526 -12.201 7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.008 -12.395 9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.517 -12.500 10.112 1.00 0.00 H new ATOM 0 HE ARG A 5 2.584 -14.483 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.364 -13.217 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.244 -14.738 9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.438 -16.428 8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.228 -16.547 8.610 1.00 0.00 H new ATOM 81 N ILE A 6 1.136 -8.350 5.194 1.00 0.00 N ATOM 82 CA ILE A 6 1.392 -6.948 4.870 1.00 0.00 C ATOM 83 C ILE A 6 0.847 -6.016 5.952 1.00 0.00 C ATOM 84 O ILE A 6 -0.320 -6.111 6.339 1.00 0.00 O ATOM 85 CB ILE A 6 0.773 -6.562 3.507 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.087 -7.629 2.451 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.289 -5.202 3.055 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.438 -7.369 1.109 1.00 0.00 C ATOM 0 H ILE A 6 0.156 -8.625 5.129 1.00 0.00 H new ATOM 0 HA ILE A 6 2.474 -6.832 4.814 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.309 -6.502 3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.167 -7.687 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.759 -8.600 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.844 -4.945 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.019 -4.447 3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.374 -5.240 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.706 -8.165 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.645 -7.341 1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.785 -6.413 0.716 1.00 0.00 H new ATOM 100 N LYS A 7 1.704 -5.114 6.435 1.00 0.00 N ATOM 101 CA LYS A 7 1.319 -4.158 7.471 1.00 0.00 C ATOM 102 C LYS A 7 1.035 -2.786 6.865 1.00 0.00 C ATOM 103 O LYS A 7 1.890 -2.207 6.189 1.00 0.00 O ATOM 104 CB LYS A 7 2.420 -4.048 8.531 1.00 0.00 C ATOM 105 CG LYS A 7 1.991 -4.526 9.910 1.00 0.00 C ATOM 106 CD LYS A 7 2.590 -5.884 10.245 1.00 0.00 C ATOM 107 CE LYS A 7 1.824 -7.014 9.572 1.00 0.00 C ATOM 108 NZ LYS A 7 2.515 -7.513 8.348 1.00 0.00 N ATOM 0 H LYS A 7 2.671 -5.027 6.123 1.00 0.00 H new ATOM 0 HA LYS A 7 0.407 -4.520 7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.283 -4.629 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.743 -3.009 8.600 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.299 -3.797 10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.904 -4.587 9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.633 -5.911 9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.581 -6.030 11.325 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.699 -7.836 10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.825 -6.666 9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.811 -7.882 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.040 -6.733 7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.177 -8.272 8.608 1.00 0.00 H new ATOM 122 N PHE A 8 -0.171 -2.272 7.106 1.00 0.00 N ATOM 123 CA PHE A 8 -0.576 -0.967 6.582 1.00 0.00 C ATOM 124 C PHE A 8 -0.811 0.029 7.714 1.00 0.00 C ATOM 125 O PHE A 8 -1.371 -0.322 8.754 1.00 0.00 O ATOM 126 CB PHE A 8 -1.845 -1.108 5.736 1.00 0.00 C ATOM 127 CG PHE A 8 -1.617 -1.811 4.428 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.732 -3.189 4.336 1.00 0.00 C ATOM 129 CD2 PHE A 8 -1.283 -1.093 3.291 1.00 0.00 C ATOM 130 CE1 PHE A 8 -1.522 -3.837 3.133 1.00 0.00 C ATOM 131 CE2 PHE A 8 -1.070 -1.734 2.086 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.188 -3.108 2.007 1.00 0.00 C ATOM 0 H PHE A 8 -0.886 -2.741 7.662 1.00 0.00 H new ATOM 0 HA PHE A 8 0.232 -0.588 5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.595 -1.655 6.308 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.254 -0.117 5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.989 -3.763 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.188 -0.019 3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.619 -4.911 3.073 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.812 -1.162 1.207 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.020 -3.612 1.067 1.00 0.00 H new ATOM 142 N GLU A 9 -0.381 1.273 7.507 1.00 0.00 N ATOM 143 CA GLU A 9 -0.542 2.319 8.514 1.00 0.00 C ATOM 144 C GLU A 9 -1.289 3.523 7.942 1.00 0.00 C ATOM 145 O GLU A 9 -0.894 4.087 6.921 1.00 0.00 O ATOM 146 CB GLU A 9 0.822 2.744 9.060 1.00 0.00 C ATOM 147 CG GLU A 9 1.285 1.904 10.243 1.00 0.00 C ATOM 148 CD GLU A 9 2.710 1.404 10.090 1.00 0.00 C ATOM 149 OE1 GLU A 9 2.954 0.565 9.196 1.00 0.00 O ATOM 150 OE2 GLU A 9 3.583 1.845 10.870 1.00 0.00 O ATOM 0 H GLU A 9 0.081 1.580 6.651 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.137 1.914 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.562 2.676 8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.775 3.790 9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.209 2.496 11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.617 1.051 10.360 1.00 0.00 H new ATOM 157 N HIS A 10 -2.374 3.906 8.616 1.00 0.00 N ATOM 158 CA HIS A 10 -3.195 5.038 8.195 1.00 0.00 C ATOM 159 C HIS A 10 -3.609 5.877 9.402 1.00 0.00 C ATOM 160 O HIS A 10 -4.206 5.362 10.347 1.00 0.00 O ATOM 161 CB HIS A 10 -4.439 4.539 7.455 1.00 0.00 C ATOM 162 CG HIS A 10 -5.309 5.633 6.918 1.00 0.00 C ATOM 163 ND1 HIS A 10 -6.572 5.895 7.402 1.00 0.00 N ATOM 164 CD2 HIS A 10 -5.095 6.529 5.925 1.00 0.00 C ATOM 165 CE1 HIS A 10 -7.100 6.902 6.729 1.00 0.00 C ATOM 166 NE2 HIS A 10 -6.225 7.305 5.826 1.00 0.00 N ATOM 0 H HIS A 10 -2.705 3.443 9.463 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.606 5.661 7.522 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.126 3.900 6.630 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.028 3.920 8.132 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.203 6.617 5.323 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.081 7.324 6.890 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -6.365 8.068 5.163 1.00 0.00 H new ATOM 175 N ASN A 11 -3.286 7.171 9.359 1.00 0.00 N ATOM 176 CA ASN A 11 -3.620 8.091 10.449 1.00 0.00 C ATOM 177 C ASN A 11 -3.018 7.620 11.780 1.00 0.00 C ATOM 178 O ASN A 11 -3.598 7.840 12.844 1.00 0.00 O ATOM 179 CB ASN A 11 -5.141 8.235 10.576 1.00 0.00 C ATOM 180 CG ASN A 11 -5.559 9.649 10.931 1.00 0.00 C ATOM 181 OD1 ASN A 11 -5.643 10.005 12.108 1.00 0.00 O ATOM 182 ND2 ASN A 11 -5.828 10.465 9.917 1.00 0.00 N ATOM 0 H ASN A 11 -2.793 7.607 8.580 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.190 9.064 10.211 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.611 7.945 9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.506 7.548 11.340 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.117 11.426 10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.746 10.130 8.957 1.00 0.00 H new ATOM 189 N GLY A 12 -1.854 6.966 11.711 1.00 0.00 N ATOM 190 CA GLY A 12 -1.202 6.470 12.914 1.00 0.00 C ATOM 191 C GLY A 12 -1.546 5.019 13.216 1.00 0.00 C ATOM 192 O GLY A 12 -0.676 4.239 13.605 1.00 0.00 O ATOM 0 H GLY A 12 -1.354 6.772 10.843 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.122 6.567 12.803 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.492 7.091 13.761 1.00 0.00 H new ATOM 196 N GLU A 13 -2.819 4.660 13.037 1.00 0.00 N ATOM 197 CA GLU A 13 -3.283 3.296 13.291 1.00 0.00 C ATOM 198 C GLU A 13 -2.714 2.314 12.264 1.00 0.00 C ATOM 199 O GLU A 13 -2.419 2.690 11.128 1.00 0.00 O ATOM 200 CB GLU A 13 -4.815 3.244 13.267 1.00 0.00 C ATOM 201 CG GLU A 13 -5.462 3.675 14.574 1.00 0.00 C ATOM 202 CD GLU A 13 -5.181 5.126 14.916 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.755 6.013 14.252 1.00 0.00 O ATOM 204 OE2 GLU A 13 -4.380 5.371 15.843 1.00 0.00 O ATOM 0 H GLU A 13 -3.548 5.297 12.716 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.927 3.001 14.278 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.179 3.884 12.463 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.132 2.228 13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.539 3.524 14.509 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.099 3.039 15.381 1.00 0.00 H new ATOM 211 N ARG A 14 -2.569 1.053 12.674 1.00 0.00 N ATOM 212 CA ARG A 14 -2.041 0.010 11.793 1.00 0.00 C ATOM 213 C ARG A 14 -3.088 -1.069 11.526 1.00 0.00 C ATOM 214 O ARG A 14 -3.962 -1.324 12.356 1.00 0.00 O ATOM 215 CB ARG A 14 -0.782 -0.629 12.394 1.00 0.00 C ATOM 216 CG ARG A 14 -0.958 -1.137 13.819 1.00 0.00 C ATOM 217 CD ARG A 14 -0.055 -0.393 14.794 1.00 0.00 C ATOM 218 NE ARG A 14 1.357 -0.725 14.594 1.00 0.00 N ATOM 219 CZ ARG A 14 2.227 0.039 13.921 1.00 0.00 C ATOM 220 NH1 ARG A 14 1.852 1.206 13.397 1.00 0.00 N ATOM 221 NH2 ARG A 14 3.485 -0.366 13.776 1.00 0.00 N ATOM 0 H ARG A 14 -2.810 0.729 13.611 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.780 0.484 10.847 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.472 -1.460 11.760 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.026 0.103 12.378 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.998 -1.018 14.122 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.735 -2.203 13.856 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.196 0.681 14.672 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.344 -0.638 15.816 1.00 0.00 H new ATOM 0 HE ARG A 14 1.701 -1.598 14.995 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.890 1.529 13.506 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.527 1.776 12.887 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.784 -1.255 14.177 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.151 0.212 13.264 1.00 0.00 H new ATOM 235 N ARG A 15 -2.987 -1.705 10.360 1.00 0.00 N ATOM 236 CA ARG A 15 -3.916 -2.761 9.974 1.00 0.00 C ATOM 237 C ARG A 15 -3.159 -4.013 9.533 1.00 0.00 C ATOM 238 O ARG A 15 -2.279 -3.944 8.672 1.00 0.00 O ATOM 239 CB ARG A 15 -4.828 -2.277 8.841 1.00 0.00 C ATOM 240 CG ARG A 15 -5.974 -1.391 9.309 1.00 0.00 C ATOM 241 CD ARG A 15 -7.076 -1.308 8.264 1.00 0.00 C ATOM 242 NE ARG A 15 -8.402 -1.191 8.870 1.00 0.00 N ATOM 243 CZ ARG A 15 -8.895 -0.058 9.381 1.00 0.00 C ATOM 244 NH1 ARG A 15 -8.174 1.062 9.363 1.00 0.00 N ATOM 245 NH2 ARG A 15 -10.114 -0.045 9.911 1.00 0.00 N ATOM 0 H ARG A 15 -2.268 -1.505 9.665 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.527 -3.012 10.841 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.229 -1.727 8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.239 -3.144 8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.383 -1.784 10.240 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.598 -0.391 9.523 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.897 -0.450 7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.044 -2.196 7.633 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.987 -2.026 8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.238 1.060 8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.558 1.922 9.755 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.672 -0.899 9.928 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.491 0.819 10.301 1.00 0.00 H new ATOM 259 N ILE A 16 -3.506 -5.153 10.128 1.00 0.00 N ATOM 260 CA ILE A 16 -2.861 -6.419 9.796 1.00 0.00 C ATOM 261 C ILE A 16 -3.709 -7.215 8.802 1.00 0.00 C ATOM 262 O ILE A 16 -4.836 -7.605 9.112 1.00 0.00 O ATOM 263 CB ILE A 16 -2.613 -7.280 11.059 1.00 0.00 C ATOM 264 CG1 ILE A 16 -1.926 -6.452 12.153 1.00 0.00 C ATOM 265 CG2 ILE A 16 -1.778 -8.508 10.719 1.00 0.00 C ATOM 266 CD1 ILE A 16 -2.630 -6.514 13.492 1.00 0.00 C ATOM 0 H ILE A 16 -4.231 -5.224 10.842 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.899 -6.179 9.343 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.579 -7.615 11.436 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.901 -6.804 12.274 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.870 -5.413 11.829 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.616 -9.099 11.621 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.304 -9.112 9.979 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.816 -8.193 10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.088 -5.906 14.216 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.646 -6.134 13.387 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.663 -7.547 13.838 1.00 0.00 H new ATOM 278 N ILE A 17 -3.160 -7.451 7.606 1.00 0.00 N ATOM 279 CA ILE A 17 -3.869 -8.199 6.570 1.00 0.00 C ATOM 280 C ILE A 17 -2.981 -9.293 5.977 1.00 0.00 C ATOM 281 O ILE A 17 -1.819 -9.051 5.641 1.00 0.00 O ATOM 282 CB ILE A 17 -4.355 -7.275 5.427 1.00 0.00 C ATOM 283 CG1 ILE A 17 -5.075 -6.042 5.989 1.00 0.00 C ATOM 284 CG2 ILE A 17 -5.270 -8.038 4.477 1.00 0.00 C ATOM 285 CD1 ILE A 17 -6.343 -6.366 6.756 1.00 0.00 C ATOM 0 H ILE A 17 -2.229 -7.135 7.335 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.736 -8.652 7.051 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.481 -6.935 4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.392 -5.503 6.646 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.321 -5.371 5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.602 -7.373 3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.727 -8.879 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.136 -8.408 5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.793 -5.443 7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.046 -6.877 6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.102 -7.011 7.601 1.00 0.00 H new ATOM 297 N ALA A 18 -3.539 -10.498 5.847 1.00 0.00 N ATOM 298 CA ALA A 18 -2.806 -11.633 5.290 1.00 0.00 C ATOM 299 C ALA A 18 -3.305 -11.973 3.886 1.00 0.00 C ATOM 300 O ALA A 18 -4.513 -11.987 3.636 1.00 0.00 O ATOM 301 CB ALA A 18 -2.930 -12.841 6.209 1.00 0.00 C ATOM 0 H ALA A 18 -4.498 -10.712 6.121 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.754 -11.357 5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.380 -13.680 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.519 -12.597 7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.981 -13.112 6.314 1.00 0.00 H new ATOM 307 N PHE A 19 -2.371 -12.244 2.973 1.00 0.00 N ATOM 308 CA PHE A 19 -2.715 -12.579 1.591 1.00 0.00 C ATOM 309 C PHE A 19 -2.181 -13.956 1.199 1.00 0.00 C ATOM 310 O PHE A 19 -0.989 -14.233 1.342 1.00 0.00 O ATOM 311 CB PHE A 19 -2.158 -11.521 0.633 1.00 0.00 C ATOM 312 CG PHE A 19 -3.116 -10.395 0.349 1.00 0.00 C ATOM 313 CD1 PHE A 19 -4.276 -10.619 -0.376 1.00 0.00 C ATOM 314 CD2 PHE A 19 -2.854 -9.113 0.807 1.00 0.00 C ATOM 315 CE1 PHE A 19 -5.158 -9.587 -0.635 1.00 0.00 C ATOM 316 CE2 PHE A 19 -3.732 -8.078 0.549 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.885 -8.316 -0.173 1.00 0.00 C ATOM 0 H PHE A 19 -1.370 -12.238 3.166 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.802 -12.600 1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.242 -11.108 1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.888 -12.002 -0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.493 -11.611 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.954 -8.921 1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.060 -9.775 -1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.517 -7.084 0.912 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.572 -7.508 -0.376 1.00 0.00 H new ATOM 327 N SER A 20 -3.069 -14.810 0.691 1.00 0.00 N ATOM 328 CA SER A 20 -2.688 -16.156 0.262 1.00 0.00 C ATOM 329 C SER A 20 -2.094 -16.134 -1.147 1.00 0.00 C ATOM 330 O SER A 20 -2.452 -15.288 -1.968 1.00 0.00 O ATOM 331 CB SER A 20 -3.905 -17.088 0.300 1.00 0.00 C ATOM 332 OG SER A 20 -5.106 -16.377 0.036 1.00 0.00 O ATOM 0 H SER A 20 -4.058 -14.594 0.566 1.00 0.00 H new ATOM 0 HA SER A 20 -1.929 -16.528 0.950 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.781 -17.883 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.970 -17.566 1.278 1.00 0.00 H new ATOM 0 HG SER A 20 -5.865 -16.996 0.065 1.00 0.00 H new ATOM 338 N ARG A 21 -1.187 -17.072 -1.420 1.00 0.00 N ATOM 339 CA ARG A 21 -0.545 -17.167 -2.731 1.00 0.00 C ATOM 340 C ARG A 21 -1.375 -18.030 -3.683 1.00 0.00 C ATOM 341 O ARG A 21 -1.972 -19.022 -3.265 1.00 0.00 O ATOM 342 CB ARG A 21 0.864 -17.753 -2.587 1.00 0.00 C ATOM 343 CG ARG A 21 1.937 -16.711 -2.313 1.00 0.00 C ATOM 344 CD ARG A 21 2.933 -17.194 -1.269 1.00 0.00 C ATOM 345 NE ARG A 21 3.767 -16.104 -0.761 1.00 0.00 N ATOM 346 CZ ARG A 21 4.828 -15.609 -1.407 1.00 0.00 C ATOM 347 NH1 ARG A 21 5.185 -16.096 -2.594 1.00 0.00 N ATOM 348 NH2 ARG A 21 5.530 -14.621 -0.863 1.00 0.00 N ATOM 0 H ARG A 21 -0.880 -17.777 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.474 -16.163 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.863 -18.482 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.118 -18.292 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.463 -16.478 -3.239 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.469 -15.788 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.395 -17.655 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.569 -17.965 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 21 3.524 -15.697 0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.648 -16.853 -3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.996 -15.712 -3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.259 -14.242 0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.340 -14.241 -1.353 1.00 0.00 H new ATOM 362 N PRO A 22 -1.429 -17.665 -4.984 1.00 0.00 N ATOM 363 CA PRO A 22 -0.733 -16.489 -5.531 1.00 0.00 C ATOM 364 C PRO A 22 -1.467 -15.177 -5.239 1.00 0.00 C ATOM 365 O PRO A 22 -2.629 -15.181 -4.833 1.00 0.00 O ATOM 366 CB PRO A 22 -0.723 -16.773 -7.032 1.00 0.00 C ATOM 367 CG PRO A 22 -1.971 -17.553 -7.266 1.00 0.00 C ATOM 368 CD PRO A 22 -2.180 -18.389 -6.030 1.00 0.00 C ATOM 0 HA PRO A 22 0.256 -16.355 -5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.716 -15.850 -7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.161 -17.340 -7.324 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.819 -16.890 -7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.877 -18.183 -8.151 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.237 -18.473 -5.778 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.803 -19.403 -6.164 1.00 0.00 H new ATOM 376 N VAL A 23 -0.773 -14.056 -5.452 1.00 0.00 N ATOM 377 CA VAL A 23 -1.351 -12.736 -5.215 1.00 0.00 C ATOM 378 C VAL A 23 -0.801 -11.706 -6.209 1.00 0.00 C ATOM 379 O VAL A 23 0.391 -11.707 -6.524 1.00 0.00 O ATOM 380 CB VAL A 23 -1.083 -12.264 -3.763 1.00 0.00 C ATOM 381 CG1 VAL A 23 0.411 -12.121 -3.504 1.00 0.00 C ATOM 382 CG2 VAL A 23 -1.810 -10.957 -3.465 1.00 0.00 C ATOM 0 H VAL A 23 0.190 -14.039 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.428 -12.820 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.474 -13.027 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.572 -11.789 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.900 -13.083 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.831 -11.388 -4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.603 -10.651 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.464 -10.184 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.883 -11.101 -3.591 1.00 0.00 H new ATOM 392 N LYS A 24 -1.682 -10.829 -6.697 1.00 0.00 N ATOM 393 CA LYS A 24 -1.294 -9.792 -7.654 1.00 0.00 C ATOM 394 C LYS A 24 -1.452 -8.403 -7.038 1.00 0.00 C ATOM 395 O LYS A 24 -2.184 -8.232 -6.062 1.00 0.00 O ATOM 396 CB LYS A 24 -2.145 -9.899 -8.923 1.00 0.00 C ATOM 397 CG LYS A 24 -1.533 -10.789 -9.991 1.00 0.00 C ATOM 398 CD LYS A 24 -2.587 -11.281 -10.971 1.00 0.00 C ATOM 399 CE LYS A 24 -1.974 -12.139 -12.069 1.00 0.00 C ATOM 400 NZ LYS A 24 -1.233 -11.323 -13.072 1.00 0.00 N ATOM 0 H LYS A 24 -2.670 -10.817 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.246 -9.940 -7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.129 -10.286 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.295 -8.901 -9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.762 -10.237 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.044 -11.642 -9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.341 -11.858 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.096 -10.427 -11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.296 -12.867 -11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.761 -12.702 -12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.833 -11.948 -13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.884 -10.645 -13.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.465 -10.806 -12.599 1.00 0.00 H new ATOM 414 N TYR A 25 -0.764 -7.410 -7.612 1.00 0.00 N ATOM 415 CA TYR A 25 -0.840 -6.036 -7.108 1.00 0.00 C ATOM 416 C TYR A 25 -2.288 -5.550 -7.062 1.00 0.00 C ATOM 417 O TYR A 25 -2.692 -4.883 -6.112 1.00 0.00 O ATOM 418 CB TYR A 25 0.002 -5.078 -7.962 1.00 0.00 C ATOM 419 CG TYR A 25 -0.103 -3.628 -7.516 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.203 -3.264 -6.210 1.00 0.00 C ATOM 421 CD2 TYR A 25 -0.522 -2.633 -8.392 1.00 0.00 C ATOM 422 CE1 TYR A 25 0.095 -1.952 -5.791 1.00 0.00 C ATOM 423 CE2 TYR A 25 -0.635 -1.320 -7.980 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.324 -0.984 -6.678 1.00 0.00 C ATOM 425 OH TYR A 25 -0.441 0.322 -6.261 1.00 0.00 O ATOM 0 H TYR A 25 -0.153 -7.531 -8.420 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.436 -6.041 -6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.046 -5.389 -7.923 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.315 -5.155 -9.002 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.531 -4.019 -5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.763 -2.892 -9.412 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.338 -1.686 -4.773 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.965 -0.560 -8.673 1.00 0.00 H new ATOM 0 HH TYR A 25 0.396 0.799 -6.441 1.00 0.00 H new ATOM 435 N GLU A 26 -3.064 -5.891 -8.095 1.00 0.00 N ATOM 436 CA GLU A 26 -4.470 -5.488 -8.165 1.00 0.00 C ATOM 437 C GLU A 26 -5.253 -6.021 -6.966 1.00 0.00 C ATOM 438 O GLU A 26 -6.061 -5.305 -6.378 1.00 0.00 O ATOM 439 CB GLU A 26 -5.120 -5.990 -9.460 1.00 0.00 C ATOM 440 CG GLU A 26 -5.916 -4.918 -10.188 1.00 0.00 C ATOM 441 CD GLU A 26 -7.404 -4.993 -9.902 1.00 0.00 C ATOM 442 OE1 GLU A 26 -7.800 -4.745 -8.744 1.00 0.00 O ATOM 443 OE2 GLU A 26 -8.175 -5.296 -10.837 1.00 0.00 O ATOM 0 H GLU A 26 -2.743 -6.443 -8.891 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.497 -4.398 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.344 -6.370 -10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.779 -6.827 -9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.544 -3.936 -9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.752 -5.016 -11.261 1.00 0.00 H new ATOM 450 N ASP A 27 -5.010 -7.283 -6.615 1.00 0.00 N ATOM 451 CA ASP A 27 -5.700 -7.916 -5.490 1.00 0.00 C ATOM 452 C ASP A 27 -5.368 -7.211 -4.179 1.00 0.00 C ATOM 453 O ASP A 27 -6.257 -6.938 -3.368 1.00 0.00 O ATOM 454 CB ASP A 27 -5.313 -9.399 -5.390 1.00 0.00 C ATOM 455 CG ASP A 27 -5.801 -10.228 -6.567 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.970 -9.667 -7.670 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.008 -11.445 -6.386 1.00 0.00 O ATOM 0 H ASP A 27 -4.341 -7.887 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.772 -7.835 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.228 -9.481 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.722 -9.813 -4.468 1.00 0.00 H new ATOM 462 N VAL A 28 -4.085 -6.911 -3.985 1.00 0.00 N ATOM 463 CA VAL A 28 -3.632 -6.230 -2.776 1.00 0.00 C ATOM 464 C VAL A 28 -4.149 -4.796 -2.733 1.00 0.00 C ATOM 465 O VAL A 28 -4.670 -4.347 -1.713 1.00 0.00 O ATOM 466 CB VAL A 28 -2.093 -6.217 -2.662 1.00 0.00 C ATOM 467 CG1 VAL A 28 -1.667 -5.600 -1.335 1.00 0.00 C ATOM 468 CG2 VAL A 28 -1.530 -7.624 -2.808 1.00 0.00 C ATOM 0 H VAL A 28 -3.342 -7.129 -4.649 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.036 -6.790 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.691 -5.608 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.579 -5.597 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.037 -4.577 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.080 -6.185 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.444 -7.592 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.936 -8.262 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.807 -8.028 -3.782 1.00 0.00 H new ATOM 478 N GLU A 29 -3.995 -4.082 -3.847 1.00 0.00 N ATOM 479 CA GLU A 29 -4.442 -2.696 -3.941 1.00 0.00 C ATOM 480 C GLU A 29 -5.960 -2.595 -3.800 1.00 0.00 C ATOM 481 O GLU A 29 -6.464 -1.735 -3.080 1.00 0.00 O ATOM 482 CB GLU A 29 -3.995 -2.085 -5.275 1.00 0.00 C ATOM 483 CG GLU A 29 -4.354 -0.614 -5.424 1.00 0.00 C ATOM 484 CD GLU A 29 -4.371 -0.159 -6.869 1.00 0.00 C ATOM 485 OE1 GLU A 29 -5.408 -0.348 -7.538 1.00 0.00 O ATOM 486 OE2 GLU A 29 -3.344 0.383 -7.331 1.00 0.00 O ATOM 0 H GLU A 29 -3.563 -4.443 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.987 -2.139 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.915 -2.198 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.450 -2.646 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.334 -0.437 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.637 -0.011 -4.866 1.00 0.00 H new ATOM 493 N HIS A 30 -6.683 -3.476 -4.489 1.00 0.00 N ATOM 494 CA HIS A 30 -8.145 -3.478 -4.438 1.00 0.00 C ATOM 495 C HIS A 30 -8.654 -3.614 -3.001 1.00 0.00 C ATOM 496 O HIS A 30 -9.587 -2.916 -2.600 1.00 0.00 O ATOM 497 CB HIS A 30 -8.703 -4.606 -5.310 1.00 0.00 C ATOM 498 CG HIS A 30 -10.190 -4.563 -5.476 1.00 0.00 C ATOM 499 ND1 HIS A 30 -10.972 -5.696 -5.516 1.00 0.00 N ATOM 500 CD2 HIS A 30 -11.037 -3.515 -5.621 1.00 0.00 C ATOM 501 CE1 HIS A 30 -12.236 -5.350 -5.680 1.00 0.00 C ATOM 502 NE2 HIS A 30 -12.301 -4.034 -5.745 1.00 0.00 N ATOM 0 H HIS A 30 -6.282 -4.197 -5.089 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.496 -2.522 -4.826 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.236 -4.557 -6.293 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.423 -5.564 -4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.768 -2.469 -5.636 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.073 -6.029 -5.749 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.155 -3.489 -5.868 1.00 0.00 H new ATOM 511 N LYS A 31 -8.039 -4.512 -2.230 1.00 0.00 N ATOM 512 CA LYS A 31 -8.437 -4.727 -0.841 1.00 0.00 C ATOM 513 C LYS A 31 -8.074 -3.523 0.028 1.00 0.00 C ATOM 514 O LYS A 31 -8.909 -3.025 0.782 1.00 0.00 O ATOM 515 CB LYS A 31 -7.782 -5.994 -0.282 1.00 0.00 C ATOM 516 CG LYS A 31 -8.727 -6.846 0.549 1.00 0.00 C ATOM 517 CD LYS A 31 -7.981 -7.661 1.592 1.00 0.00 C ATOM 518 CE LYS A 31 -8.940 -8.339 2.559 1.00 0.00 C ATOM 519 NZ LYS A 31 -9.157 -7.534 3.797 1.00 0.00 N ATOM 0 H LYS A 31 -7.266 -5.099 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.520 -4.851 -0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.399 -6.591 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.926 -5.711 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.456 -6.204 1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.284 -7.516 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.368 -8.414 1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.302 -7.012 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.896 -8.504 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.548 -9.319 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.817 -8.035 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.249 -7.397 4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.556 -6.608 3.543 1.00 0.00 H new ATOM 533 N VAL A 32 -6.829 -3.064 -0.080 1.00 0.00 N ATOM 534 CA VAL A 32 -6.365 -1.918 0.703 1.00 0.00 C ATOM 535 C VAL A 32 -7.136 -0.648 0.348 1.00 0.00 C ATOM 536 O VAL A 32 -7.550 0.102 1.234 1.00 0.00 O ATOM 537 CB VAL A 32 -4.856 -1.661 0.504 1.00 0.00 C ATOM 538 CG1 VAL A 32 -4.390 -0.511 1.387 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.052 -2.921 0.791 1.00 0.00 C ATOM 0 H VAL A 32 -6.125 -3.465 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.547 -2.168 1.748 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.690 -1.383 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.324 -0.344 1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.940 0.393 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.572 -0.758 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.991 -2.717 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.222 -3.235 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.366 -3.715 0.113 1.00 0.00 H new ATOM 549 N THR A 33 -7.326 -0.411 -0.951 1.00 0.00 N ATOM 550 CA THR A 33 -8.048 0.767 -1.420 1.00 0.00 C ATOM 551 C THR A 33 -9.468 0.803 -0.849 1.00 0.00 C ATOM 552 O THR A 33 -9.960 1.865 -0.482 1.00 0.00 O ATOM 553 CB THR A 33 -8.080 0.809 -2.955 1.00 0.00 C ATOM 554 OG1 THR A 33 -6.767 0.906 -3.481 1.00 0.00 O ATOM 555 CG2 THR A 33 -8.875 1.970 -3.515 1.00 0.00 C ATOM 0 H THR A 33 -6.989 -1.021 -1.695 1.00 0.00 H new ATOM 0 HA THR A 33 -7.518 1.651 -1.064 1.00 0.00 H new ATOM 0 HB THR A 33 -8.566 -0.120 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.263 0.097 -3.254 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.853 1.934 -4.604 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.907 1.904 -3.171 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.438 2.908 -3.174 1.00 0.00 H new ATOM 563 N THR A 34 -10.123 -0.359 -0.769 1.00 0.00 N ATOM 564 CA THR A 34 -11.483 -0.428 -0.226 1.00 0.00 C ATOM 565 C THR A 34 -11.487 -0.225 1.292 1.00 0.00 C ATOM 566 O THR A 34 -12.366 0.450 1.826 1.00 0.00 O ATOM 567 CB THR A 34 -12.155 -1.760 -0.578 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.086 -2.013 -1.972 1.00 0.00 O ATOM 569 CG2 THR A 34 -13.616 -1.812 -0.180 1.00 0.00 C ATOM 0 H THR A 34 -9.739 -1.255 -1.069 1.00 0.00 H new ATOM 0 HA THR A 34 -12.053 0.380 -0.684 1.00 0.00 H new ATOM 0 HB THR A 34 -11.606 -2.514 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.217 -2.411 -2.190 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.034 -2.780 -0.456 1.00 0.00 H new ATOM 0 HG22 THR A 34 -13.705 -1.672 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.162 -1.021 -0.695 1.00 0.00 H new ATOM 577 N VAL A 35 -10.510 -0.821 1.985 1.00 0.00 N ATOM 578 CA VAL A 35 -10.423 -0.706 3.444 1.00 0.00 C ATOM 579 C VAL A 35 -10.352 0.755 3.889 1.00 0.00 C ATOM 580 O VAL A 35 -11.114 1.183 4.757 1.00 0.00 O ATOM 581 CB VAL A 35 -9.198 -1.457 4.017 1.00 0.00 C ATOM 582 CG1 VAL A 35 -9.155 -1.331 5.535 1.00 0.00 C ATOM 583 CG2 VAL A 35 -9.211 -2.923 3.605 1.00 0.00 C ATOM 0 H VAL A 35 -9.773 -1.385 1.561 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.333 -1.163 3.834 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.300 -0.998 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.287 -1.866 5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.085 -0.279 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.063 -1.758 5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.338 -3.426 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.117 -3.398 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.186 -2.996 2.518 1.00 0.00 H new ATOM 593 N PHE A 36 -9.422 1.510 3.305 1.00 0.00 N ATOM 594 CA PHE A 36 -9.243 2.918 3.660 1.00 0.00 C ATOM 595 C PHE A 36 -10.097 3.846 2.791 1.00 0.00 C ATOM 596 O PHE A 36 -10.466 4.939 3.225 1.00 0.00 O ATOM 597 CB PHE A 36 -7.767 3.307 3.553 1.00 0.00 C ATOM 598 CG PHE A 36 -6.862 2.486 4.434 1.00 0.00 C ATOM 599 CD1 PHE A 36 -6.827 2.700 5.805 1.00 0.00 C ATOM 600 CD2 PHE A 36 -6.047 1.505 3.892 1.00 0.00 C ATOM 601 CE1 PHE A 36 -5.998 1.947 6.615 1.00 0.00 C ATOM 602 CE2 PHE A 36 -5.215 0.751 4.700 1.00 0.00 C ATOM 603 CZ PHE A 36 -5.190 0.973 6.061 1.00 0.00 C ATOM 0 H PHE A 36 -8.782 1.172 2.586 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.576 3.038 4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.446 3.200 2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.657 4.360 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.454 3.463 6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.062 1.327 2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.982 2.120 7.681 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.585 -0.011 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.540 0.386 6.693 1.00 0.00 H new ATOM 613 N GLY A 37 -10.404 3.414 1.565 1.00 0.00 N ATOM 614 CA GLY A 37 -11.205 4.224 0.667 1.00 0.00 C ATOM 615 C GLY A 37 -10.369 4.917 -0.396 1.00 0.00 C ATOM 616 O GLY A 37 -9.244 4.506 -0.682 1.00 0.00 O ATOM 0 H GLY A 37 -10.110 2.516 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.952 3.594 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.746 4.974 1.244 1.00 0.00 H new ATOM 620 N GLN A 38 -10.928 5.969 -0.985 1.00 0.00 N ATOM 621 CA GLN A 38 -10.236 6.730 -2.023 1.00 0.00 C ATOM 622 C GLN A 38 -10.580 8.217 -1.929 1.00 0.00 C ATOM 623 O GLN A 38 -11.606 8.586 -1.352 1.00 0.00 O ATOM 624 CB GLN A 38 -10.602 6.193 -3.411 1.00 0.00 C ATOM 625 CG GLN A 38 -9.718 5.043 -3.869 1.00 0.00 C ATOM 626 CD GLN A 38 -9.480 5.037 -5.367 1.00 0.00 C ATOM 627 OE1 GLN A 38 -10.371 5.362 -6.151 1.00 0.00 O ATOM 628 NE2 GLN A 38 -8.271 4.665 -5.776 1.00 0.00 N ATOM 0 H GLN A 38 -11.861 6.316 -0.761 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.163 6.614 -1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.640 5.861 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.533 7.004 -4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.759 5.103 -3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.179 4.099 -3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.560 4.403 -5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.055 4.642 -6.772 1.00 0.00 H new ATOM 637 N PRO A 39 -9.725 9.093 -2.489 1.00 0.00 N ATOM 638 CA PRO A 39 -8.497 8.698 -3.183 1.00 0.00 C ATOM 639 C PRO A 39 -7.295 8.558 -2.243 1.00 0.00 C ATOM 640 O PRO A 39 -7.026 9.442 -1.427 1.00 0.00 O ATOM 641 CB PRO A 39 -8.294 9.860 -4.153 1.00 0.00 C ATOM 642 CG PRO A 39 -8.829 11.055 -3.433 1.00 0.00 C ATOM 643 CD PRO A 39 -9.901 10.556 -2.492 1.00 0.00 C ATOM 0 HA PRO A 39 -8.579 7.719 -3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.241 9.987 -4.403 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.826 9.691 -5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.036 11.561 -2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.239 11.779 -4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.780 10.974 -1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.896 10.837 -2.837 1.00 0.00 H new ATOM 651 N LEU A 40 -6.575 7.441 -2.370 1.00 0.00 N ATOM 652 CA LEU A 40 -5.399 7.183 -1.538 1.00 0.00 C ATOM 653 C LEU A 40 -4.248 6.618 -2.372 1.00 0.00 C ATOM 654 O LEU A 40 -4.475 5.898 -3.347 1.00 0.00 O ATOM 655 CB LEU A 40 -5.745 6.202 -0.411 1.00 0.00 C ATOM 656 CG LEU A 40 -6.797 6.696 0.584 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.458 5.522 1.285 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.176 7.637 1.603 1.00 0.00 C ATOM 0 H LEU A 40 -6.786 6.702 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.083 8.133 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.098 5.272 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.832 5.967 0.137 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.558 7.245 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.203 5.891 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.942 4.883 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.704 4.948 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.943 7.976 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.392 7.114 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.747 8.497 1.090 1.00 0.00 H new ATOM 670 N ASP A 41 -3.017 6.945 -1.979 1.00 0.00 N ATOM 671 CA ASP A 41 -1.827 6.467 -2.686 1.00 0.00 C ATOM 672 C ASP A 41 -1.002 5.531 -1.800 1.00 0.00 C ATOM 673 O ASP A 41 -0.696 5.860 -0.651 1.00 0.00 O ATOM 674 CB ASP A 41 -0.962 7.653 -3.135 1.00 0.00 C ATOM 675 CG ASP A 41 -1.437 8.271 -4.439 1.00 0.00 C ATOM 676 OD1 ASP A 41 -2.657 8.503 -4.581 1.00 0.00 O ATOM 677 OD2 ASP A 41 -0.586 8.527 -5.316 1.00 0.00 O ATOM 0 H ASP A 41 -2.817 7.539 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.158 5.911 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.966 8.415 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.070 7.321 -3.251 1.00 0.00 H new ATOM 682 N LEU A 42 -0.645 4.364 -2.343 1.00 0.00 N ATOM 683 CA LEU A 42 0.149 3.379 -1.603 1.00 0.00 C ATOM 684 C LEU A 42 1.646 3.643 -1.778 1.00 0.00 C ATOM 685 O LEU A 42 2.195 3.451 -2.866 1.00 0.00 O ATOM 686 CB LEU A 42 -0.190 1.958 -2.068 1.00 0.00 C ATOM 687 CG LEU A 42 -1.645 1.531 -1.848 1.00 0.00 C ATOM 688 CD1 LEU A 42 -2.152 0.718 -3.031 1.00 0.00 C ATOM 689 CD2 LEU A 42 -1.778 0.737 -0.556 1.00 0.00 C ATOM 0 H LEU A 42 -0.892 4.078 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.098 3.473 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.040 1.876 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.461 1.257 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.257 2.429 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.187 0.425 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.095 1.320 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.537 -0.174 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.818 0.442 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.152 -0.154 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.459 1.354 0.284 1.00 0.00 H new ATOM 701 N HIS A 43 2.296 4.091 -0.703 1.00 0.00 N ATOM 702 CA HIS A 43 3.725 4.390 -0.734 1.00 0.00 C ATOM 703 C HIS A 43 4.513 3.458 0.189 1.00 0.00 C ATOM 704 O HIS A 43 4.288 3.433 1.400 1.00 0.00 O ATOM 705 CB HIS A 43 3.962 5.852 -0.340 1.00 0.00 C ATOM 706 CG HIS A 43 4.736 6.628 -1.359 1.00 0.00 C ATOM 707 ND1 HIS A 43 4.194 7.663 -2.095 1.00 0.00 N ATOM 708 CD2 HIS A 43 6.022 6.519 -1.761 1.00 0.00 C ATOM 709 CE1 HIS A 43 5.117 8.154 -2.904 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.235 7.478 -2.720 1.00 0.00 N ATOM 0 H HIS A 43 1.853 4.254 0.201 1.00 0.00 H new ATOM 0 HA HIS A 43 4.082 4.228 -1.751 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.999 6.337 -0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.496 5.882 0.610 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.748 5.808 -1.395 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.979 8.970 -3.598 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.114 7.641 -3.210 1.00 0.00 H new ATOM 719 N TYR A 44 5.440 2.696 -0.392 1.00 0.00 N ATOM 720 CA TYR A 44 6.266 1.764 0.367 1.00 0.00 C ATOM 721 C TYR A 44 7.634 2.373 0.672 1.00 0.00 C ATOM 722 O TYR A 44 8.307 2.884 -0.225 1.00 0.00 O ATOM 723 CB TYR A 44 6.436 0.456 -0.418 1.00 0.00 C ATOM 724 CG TYR A 44 7.496 -0.473 0.134 1.00 0.00 C ATOM 725 CD1 TYR A 44 8.839 -0.281 -0.168 1.00 0.00 C ATOM 726 CD2 TYR A 44 7.155 -1.543 0.953 1.00 0.00 C ATOM 727 CE1 TYR A 44 9.812 -1.127 0.330 1.00 0.00 C ATOM 728 CE2 TYR A 44 8.121 -2.394 1.455 1.00 0.00 C ATOM 729 CZ TYR A 44 9.448 -2.181 1.142 1.00 0.00 C ATOM 730 OH TYR A 44 10.412 -3.027 1.640 1.00 0.00 O ATOM 0 H TYR A 44 5.636 2.708 -1.393 1.00 0.00 H new ATOM 0 HA TYR A 44 5.767 1.553 1.313 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.482 -0.070 -0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.684 0.697 -1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.127 0.544 -0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.118 -1.712 1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.851 -0.964 0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.839 -3.222 2.089 1.00 0.00 H new ATOM 0 HH TYR A 44 10.738 -3.609 0.923 1.00 0.00 H new ATOM 740 N MET A 45 8.048 2.307 1.938 1.00 0.00 N ATOM 741 CA MET A 45 9.347 2.841 2.349 1.00 0.00 C ATOM 742 C MET A 45 10.364 1.712 2.521 1.00 0.00 C ATOM 743 O MET A 45 10.083 0.711 3.184 1.00 0.00 O ATOM 744 CB MET A 45 9.217 3.647 3.648 1.00 0.00 C ATOM 745 CG MET A 45 8.624 2.865 4.812 1.00 0.00 C ATOM 746 SD MET A 45 9.528 3.123 6.352 1.00 0.00 S ATOM 747 CE MET A 45 10.397 1.564 6.496 1.00 0.00 C ATOM 0 H MET A 45 7.505 1.891 2.694 1.00 0.00 H new ATOM 0 HA MET A 45 9.702 3.509 1.565 1.00 0.00 H new ATOM 0 HB2 MET A 45 10.203 4.013 3.935 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.595 4.522 3.459 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.584 3.160 4.951 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.624 1.803 4.569 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.784 1.455 7.509 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.712 0.744 6.279 1.00 0.00 H new ATOM 0 HE3 MET A 45 11.225 1.542 5.788 1.00 0.00 H new ATOM 757 N ASN A 46 11.547 1.878 1.926 1.00 0.00 N ATOM 758 CA ASN A 46 12.602 0.865 2.018 1.00 0.00 C ATOM 759 C ASN A 46 13.308 0.938 3.372 1.00 0.00 C ATOM 760 O ASN A 46 13.625 -0.089 3.974 1.00 0.00 O ATOM 761 CB ASN A 46 13.618 1.037 0.879 1.00 0.00 C ATOM 762 CG ASN A 46 14.273 2.410 0.866 1.00 0.00 C ATOM 763 OD1 ASN A 46 13.636 3.409 0.533 1.00 0.00 O ATOM 764 ND2 ASN A 46 15.550 2.464 1.230 1.00 0.00 N ATOM 0 H ASN A 46 11.799 2.700 1.377 1.00 0.00 H new ATOM 0 HA ASN A 46 12.137 -0.116 1.924 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.390 0.273 0.971 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.117 0.871 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.040 3.359 1.241 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.040 1.611 1.499 1.00 0.00 H new ATOM 771 N ASN A 47 13.540 2.163 3.842 1.00 0.00 N ATOM 772 CA ASN A 47 14.195 2.399 5.125 1.00 0.00 C ATOM 773 C ASN A 47 14.196 3.891 5.450 1.00 0.00 C ATOM 774 O ASN A 47 13.727 4.305 6.511 1.00 0.00 O ATOM 775 CB ASN A 47 15.634 1.869 5.112 1.00 0.00 C ATOM 776 CG ASN A 47 16.230 1.787 6.508 1.00 0.00 C ATOM 777 OD1 ASN A 47 16.277 2.779 7.233 1.00 0.00 O ATOM 778 ND2 ASN A 47 16.691 0.601 6.893 1.00 0.00 N ATOM 0 H ASN A 47 13.280 3.015 3.346 1.00 0.00 H new ATOM 0 HA ASN A 47 13.637 1.864 5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.651 0.880 4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.253 2.518 4.493 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.102 0.490 7.820 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.633 -0.198 6.262 1.00 0.00 H new ATOM 785 N GLU A 48 14.722 4.689 4.519 1.00 0.00 N ATOM 786 CA GLU A 48 14.789 6.138 4.691 1.00 0.00 C ATOM 787 C GLU A 48 13.873 6.861 3.697 1.00 0.00 C ATOM 788 O GLU A 48 13.206 7.834 4.054 1.00 0.00 O ATOM 789 CB GLU A 48 16.231 6.625 4.519 1.00 0.00 C ATOM 790 CG GLU A 48 17.057 6.552 5.797 1.00 0.00 C ATOM 791 CD GLU A 48 18.299 5.694 5.649 1.00 0.00 C ATOM 792 OE1 GLU A 48 19.099 5.953 4.725 1.00 0.00 O ATOM 793 OE2 GLU A 48 18.475 4.762 6.462 1.00 0.00 O ATOM 0 H GLU A 48 15.108 4.353 3.637 1.00 0.00 H new ATOM 0 HA GLU A 48 14.447 6.370 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.717 6.028 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.218 7.655 4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.351 7.559 6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.439 6.152 6.601 1.00 0.00 H new ATOM 800 N LEU A 49 13.848 6.386 2.448 1.00 0.00 N ATOM 801 CA LEU A 49 13.023 6.997 1.407 1.00 0.00 C ATOM 802 C LEU A 49 11.731 6.209 1.185 1.00 0.00 C ATOM 803 O LEU A 49 11.597 5.068 1.636 1.00 0.00 O ATOM 804 CB LEU A 49 13.807 7.089 0.092 1.00 0.00 C ATOM 805 CG LEU A 49 14.425 8.458 -0.222 1.00 0.00 C ATOM 806 CD1 LEU A 49 13.341 9.504 -0.445 1.00 0.00 C ATOM 807 CD2 LEU A 49 15.370 8.895 0.890 1.00 0.00 C ATOM 0 H LEU A 49 14.390 5.581 2.136 1.00 0.00 H new ATOM 0 HA LEU A 49 12.758 8.000 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.605 6.347 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.141 6.816 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 49 15.002 8.363 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.804 10.466 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.712 9.203 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.731 9.593 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.795 9.868 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.820 8.966 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.172 8.164 0.994 1.00 0.00 H new ATOM 819 N SER A 50 10.789 6.833 0.478 1.00 0.00 N ATOM 820 CA SER A 50 9.501 6.211 0.173 1.00 0.00 C ATOM 821 C SER A 50 9.283 6.129 -1.338 1.00 0.00 C ATOM 822 O SER A 50 9.302 7.147 -2.034 1.00 0.00 O ATOM 823 CB SER A 50 8.362 7.004 0.822 1.00 0.00 C ATOM 824 OG SER A 50 8.116 6.557 2.142 1.00 0.00 O ATOM 0 H SER A 50 10.895 7.776 0.103 1.00 0.00 H new ATOM 0 HA SER A 50 9.507 5.199 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.615 8.064 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.456 6.900 0.225 1.00 0.00 H new ATOM 0 HG SER A 50 7.386 7.080 2.534 1.00 0.00 H new ATOM 830 N ILE A 51 9.075 4.910 -1.837 1.00 0.00 N ATOM 831 CA ILE A 51 8.852 4.683 -3.263 1.00 0.00 C ATOM 832 C ILE A 51 7.436 4.171 -3.526 1.00 0.00 C ATOM 833 O ILE A 51 6.972 3.239 -2.867 1.00 0.00 O ATOM 834 CB ILE A 51 9.861 3.668 -3.850 1.00 0.00 C ATOM 835 CG1 ILE A 51 10.327 2.667 -2.784 1.00 0.00 C ATOM 836 CG2 ILE A 51 11.053 4.388 -4.466 1.00 0.00 C ATOM 837 CD1 ILE A 51 10.936 1.406 -3.360 1.00 0.00 C ATOM 0 H ILE A 51 9.057 4.062 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 51 8.992 5.647 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 51 9.352 3.109 -4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.059 3.152 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.478 2.396 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.750 3.655 -4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.708 5.044 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.555 4.981 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.242 0.746 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.200 0.898 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.805 1.665 -3.964 1.00 0.00 H new ATOM 849 N LEU A 52 6.755 4.781 -4.496 1.00 0.00 N ATOM 850 CA LEU A 52 5.395 4.377 -4.848 1.00 0.00 C ATOM 851 C LEU A 52 5.416 3.199 -5.821 1.00 0.00 C ATOM 852 O LEU A 52 6.178 3.197 -6.789 1.00 0.00 O ATOM 853 CB LEU A 52 4.629 5.551 -5.468 1.00 0.00 C ATOM 854 CG LEU A 52 3.123 5.329 -5.635 1.00 0.00 C ATOM 855 CD1 LEU A 52 2.335 6.377 -4.862 1.00 0.00 C ATOM 856 CD2 LEU A 52 2.740 5.347 -7.108 1.00 0.00 C ATOM 0 H LEU A 52 7.122 5.555 -5.050 1.00 0.00 H new ATOM 0 HA LEU A 52 4.888 4.067 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.784 6.434 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.059 5.769 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 52 2.875 4.349 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.268 6.201 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.585 6.312 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.588 7.370 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.666 5.188 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.005 6.312 -7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.274 4.555 -7.633 1.00 0.00 H new ATOM 868 N LEU A 53 4.570 2.203 -5.561 1.00 0.00 N ATOM 869 CA LEU A 53 4.489 1.020 -6.416 1.00 0.00 C ATOM 870 C LEU A 53 3.318 1.145 -7.392 1.00 0.00 C ATOM 871 O LEU A 53 2.215 0.676 -7.111 1.00 0.00 O ATOM 872 CB LEU A 53 4.330 -0.255 -5.571 1.00 0.00 C ATOM 873 CG LEU A 53 5.293 -0.405 -4.384 1.00 0.00 C ATOM 874 CD1 LEU A 53 6.714 -0.026 -4.779 1.00 0.00 C ATOM 875 CD2 LEU A 53 4.822 0.427 -3.199 1.00 0.00 C ATOM 0 H LEU A 53 3.932 2.192 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 53 5.418 0.949 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.309 -0.289 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.455 -1.118 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 53 5.297 -1.453 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.374 -0.142 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.053 -0.675 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.734 1.011 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.519 0.306 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.779 1.478 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.831 0.094 -2.892 1.00 0.00 H new ATOM 887 N LYS A 54 3.564 1.781 -8.539 1.00 0.00 N ATOM 888 CA LYS A 54 2.521 1.963 -9.553 1.00 0.00 C ATOM 889 C LYS A 54 2.640 0.928 -10.681 1.00 0.00 C ATOM 890 O LYS A 54 2.176 1.164 -11.799 1.00 0.00 O ATOM 891 CB LYS A 54 2.578 3.387 -10.128 1.00 0.00 C ATOM 892 CG LYS A 54 1.251 4.133 -10.044 1.00 0.00 C ATOM 893 CD LYS A 54 1.392 5.586 -10.480 1.00 0.00 C ATOM 894 CE LYS A 54 0.097 6.116 -11.081 1.00 0.00 C ATOM 895 NZ LYS A 54 0.344 7.100 -12.174 1.00 0.00 N ATOM 0 H LYS A 54 4.470 2.177 -8.789 1.00 0.00 H new ATOM 0 HA LYS A 54 1.557 1.813 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.339 3.955 -9.594 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.891 3.336 -11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.513 3.635 -10.673 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.876 4.095 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.674 6.198 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.196 5.671 -11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.489 5.283 -11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.499 6.586 -10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.565 7.433 -12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.880 7.908 -11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.890 6.645 -12.934 1.00 0.00 H new ATOM 909 N ASN A 55 3.254 -0.221 -10.379 1.00 0.00 N ATOM 910 CA ASN A 55 3.423 -1.291 -11.366 1.00 0.00 C ATOM 911 C ASN A 55 3.835 -2.594 -10.681 1.00 0.00 C ATOM 912 O ASN A 55 4.340 -2.575 -9.556 1.00 0.00 O ATOM 913 CB ASN A 55 4.474 -0.901 -12.412 1.00 0.00 C ATOM 914 CG ASN A 55 3.892 -0.805 -13.810 1.00 0.00 C ATOM 915 OD1 ASN A 55 3.363 0.234 -14.202 1.00 0.00 O ATOM 916 ND2 ASN A 55 3.986 -1.892 -14.570 1.00 0.00 N ATOM 0 H ASN A 55 3.642 -0.433 -9.460 1.00 0.00 H new ATOM 0 HA ASN A 55 2.466 -1.441 -11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.916 0.057 -12.139 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.279 -1.636 -12.406 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.611 -1.885 -15.519 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.433 -2.733 -14.204 1.00 0.00 H new ATOM 923 N GLN A 56 3.629 -3.722 -11.366 1.00 0.00 N ATOM 924 CA GLN A 56 3.998 -5.026 -10.810 1.00 0.00 C ATOM 925 C GLN A 56 5.496 -5.075 -10.517 1.00 0.00 C ATOM 926 O GLN A 56 5.919 -5.603 -9.488 1.00 0.00 O ATOM 927 CB GLN A 56 3.618 -6.165 -11.765 1.00 0.00 C ATOM 928 CG GLN A 56 2.264 -6.792 -11.461 1.00 0.00 C ATOM 929 CD GLN A 56 2.376 -8.229 -10.976 1.00 0.00 C ATOM 930 OE1 GLN A 56 2.438 -9.162 -11.775 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.399 -8.411 -9.659 1.00 0.00 N ATOM 0 H GLN A 56 3.213 -3.759 -12.297 1.00 0.00 H new ATOM 0 HA GLN A 56 3.445 -5.159 -9.880 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.611 -5.784 -12.786 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.385 -6.938 -11.718 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.755 -6.196 -10.704 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.646 -6.763 -12.358 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.345 -7.608 -9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.470 -9.353 -9.276 1.00 0.00 H new ATOM 940 N ASP A 57 6.292 -4.514 -11.430 1.00 0.00 N ATOM 941 CA ASP A 57 7.745 -4.482 -11.274 1.00 0.00 C ATOM 942 C ASP A 57 8.145 -3.689 -10.028 1.00 0.00 C ATOM 943 O ASP A 57 8.982 -4.139 -9.244 1.00 0.00 O ATOM 944 CB ASP A 57 8.401 -3.872 -12.519 1.00 0.00 C ATOM 945 CG ASP A 57 8.771 -4.913 -13.559 1.00 0.00 C ATOM 946 OD1 ASP A 57 7.995 -5.877 -13.745 1.00 0.00 O ATOM 947 OD2 ASP A 57 9.837 -4.764 -14.194 1.00 0.00 O ATOM 0 H ASP A 57 5.952 -4.075 -12.286 1.00 0.00 H new ATOM 0 HA ASP A 57 8.095 -5.507 -11.155 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.720 -3.146 -12.964 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.297 -3.327 -12.222 1.00 0.00 H new ATOM 952 N ASP A 58 7.539 -2.512 -9.849 1.00 0.00 N ATOM 953 CA ASP A 58 7.832 -1.663 -8.692 1.00 0.00 C ATOM 954 C ASP A 58 7.496 -2.384 -7.389 1.00 0.00 C ATOM 955 O ASP A 58 8.274 -2.353 -6.434 1.00 0.00 O ATOM 956 CB ASP A 58 7.045 -0.348 -8.774 1.00 0.00 C ATOM 957 CG ASP A 58 7.537 0.560 -9.886 1.00 0.00 C ATOM 958 OD1 ASP A 58 8.758 0.831 -9.937 1.00 0.00 O ATOM 959 OD2 ASP A 58 6.703 1.001 -10.703 1.00 0.00 O ATOM 0 H ASP A 58 6.844 -2.127 -10.489 1.00 0.00 H new ATOM 0 HA ASP A 58 8.899 -1.440 -8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.990 -0.570 -8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.121 0.176 -7.822 1.00 0.00 H new ATOM 964 N LEU A 59 6.335 -3.038 -7.363 1.00 0.00 N ATOM 965 CA LEU A 59 5.891 -3.777 -6.184 1.00 0.00 C ATOM 966 C LEU A 59 6.845 -4.931 -5.865 1.00 0.00 C ATOM 967 O LEU A 59 7.187 -5.158 -4.703 1.00 0.00 O ATOM 968 CB LEU A 59 4.473 -4.312 -6.400 1.00 0.00 C ATOM 969 CG LEU A 59 3.867 -5.060 -5.210 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.050 -4.114 -4.344 1.00 0.00 C ATOM 971 CD2 LEU A 59 3.016 -6.227 -5.692 1.00 0.00 C ATOM 0 H LEU A 59 5.684 -3.070 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 59 5.890 -3.092 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.821 -3.475 -6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.482 -4.980 -7.261 1.00 0.00 H new ATOM 0 HG LEU A 59 4.679 -5.459 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.627 -4.664 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.692 -3.317 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.244 -3.682 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.593 -6.748 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.210 -5.853 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.635 -6.917 -6.265 1.00 0.00 H new ATOM 983 N ASP A 60 7.271 -5.653 -6.903 1.00 0.00 N ATOM 984 CA ASP A 60 8.187 -6.782 -6.731 1.00 0.00 C ATOM 985 C ASP A 60 9.580 -6.308 -6.317 1.00 0.00 C ATOM 986 O ASP A 60 10.265 -6.977 -5.542 1.00 0.00 O ATOM 987 CB ASP A 60 8.281 -7.601 -8.024 1.00 0.00 C ATOM 988 CG ASP A 60 8.404 -9.091 -7.762 1.00 0.00 C ATOM 989 OD1 ASP A 60 9.268 -9.486 -6.950 1.00 0.00 O ATOM 990 OD2 ASP A 60 7.637 -9.866 -8.373 1.00 0.00 O ATOM 0 H ASP A 60 6.997 -5.477 -7.870 1.00 0.00 H new ATOM 0 HA ASP A 60 7.787 -7.412 -5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.397 -7.415 -8.633 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.142 -7.265 -8.601 1.00 0.00 H new ATOM 995 N LYS A 61 9.991 -5.148 -6.833 1.00 0.00 N ATOM 996 CA LYS A 61 11.301 -4.587 -6.513 1.00 0.00 C ATOM 997 C LYS A 61 11.412 -4.281 -5.020 1.00 0.00 C ATOM 998 O LYS A 61 12.468 -4.472 -4.417 1.00 0.00 O ATOM 999 CB LYS A 61 11.545 -3.312 -7.324 1.00 0.00 C ATOM 1000 CG LYS A 61 12.928 -3.247 -7.947 1.00 0.00 C ATOM 1001 CD LYS A 61 13.263 -1.839 -8.408 1.00 0.00 C ATOM 1002 CE LYS A 61 13.728 -0.970 -7.251 1.00 0.00 C ATOM 1003 NZ LYS A 61 14.036 0.420 -7.689 1.00 0.00 N ATOM 0 H LYS A 61 9.435 -4.581 -7.473 1.00 0.00 H new ATOM 0 HA LYS A 61 12.058 -5.327 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.796 -3.244 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.406 -2.446 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.671 -3.581 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.979 -3.931 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.042 -1.880 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.386 -1.389 -8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.956 -0.946 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.615 -1.413 -6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.350 0.980 -6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.791 0.399 -8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.183 0.852 -8.098 1.00 0.00 H new ATOM 1017 N ALA A 62 10.310 -3.820 -4.429 1.00 0.00 N ATOM 1018 CA ALA A 62 10.278 -3.503 -3.004 1.00 0.00 C ATOM 1019 C ALA A 62 10.483 -4.761 -2.158 1.00 0.00 C ATOM 1020 O ALA A 62 11.150 -4.722 -1.126 1.00 0.00 O ATOM 1021 CB ALA A 62 8.964 -2.828 -2.641 1.00 0.00 C ATOM 0 H ALA A 62 9.428 -3.658 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 62 11.096 -2.815 -2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.955 -2.598 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.859 -1.906 -3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.135 -3.496 -2.875 1.00 0.00 H new ATOM 1027 N ILE A 63 9.906 -5.878 -2.611 1.00 0.00 N ATOM 1028 CA ILE A 63 10.026 -7.153 -1.902 1.00 0.00 C ATOM 1029 C ILE A 63 11.477 -7.628 -1.862 1.00 0.00 C ATOM 1030 O ILE A 63 11.958 -8.090 -0.826 1.00 0.00 O ATOM 1031 CB ILE A 63 9.166 -8.263 -2.548 1.00 0.00 C ATOM 1032 CG1 ILE A 63 7.723 -7.790 -2.754 1.00 0.00 C ATOM 1033 CG2 ILE A 63 9.201 -9.524 -1.691 1.00 0.00 C ATOM 1034 CD1 ILE A 63 7.058 -7.284 -1.489 1.00 0.00 C ATOM 0 H ILE A 63 9.351 -5.924 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 63 9.666 -6.970 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 63 9.586 -8.495 -3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.714 -6.996 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.135 -8.614 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.591 -10.298 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.229 -9.876 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.808 -9.301 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.040 -6.967 -1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.034 -8.082 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.622 -6.439 -1.095 1.00 0.00 H new ATOM 1046 N ASP A 64 12.167 -7.518 -3.001 1.00 0.00 N ATOM 1047 CA ASP A 64 13.567 -7.943 -3.099 1.00 0.00 C ATOM 1048 C ASP A 64 14.417 -7.280 -2.022 1.00 0.00 C ATOM 1049 O ASP A 64 15.335 -7.894 -1.475 1.00 0.00 O ATOM 1050 CB ASP A 64 14.143 -7.620 -4.484 1.00 0.00 C ATOM 1051 CG ASP A 64 13.297 -8.166 -5.622 1.00 0.00 C ATOM 1052 OD1 ASP A 64 12.746 -9.278 -5.475 1.00 0.00 O ATOM 1053 OD2 ASP A 64 13.189 -7.480 -6.659 1.00 0.00 O ATOM 0 H ASP A 64 11.781 -7.140 -3.866 1.00 0.00 H new ATOM 0 HA ASP A 64 13.592 -9.022 -2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.232 -6.539 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.150 -8.031 -4.557 1.00 0.00 H new ATOM 1058 N ILE A 65 14.100 -6.024 -1.718 1.00 0.00 N ATOM 1059 CA ILE A 65 14.826 -5.276 -0.702 1.00 0.00 C ATOM 1060 C ILE A 65 14.595 -5.879 0.687 1.00 0.00 C ATOM 1061 O ILE A 65 15.524 -5.974 1.492 1.00 0.00 O ATOM 1062 CB ILE A 65 14.424 -3.784 -0.691 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.505 -3.193 -2.107 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.320 -3.007 0.262 1.00 0.00 C ATOM 1065 CD1 ILE A 65 14.022 -1.761 -2.197 1.00 0.00 C ATOM 0 H ILE A 65 13.343 -5.504 -2.163 1.00 0.00 H new ATOM 0 HA ILE A 65 15.884 -5.343 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 65 13.393 -3.704 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.538 -3.241 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.913 -3.810 -2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.028 -1.957 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.218 -3.412 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.357 -3.095 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 65 14.109 -1.412 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.980 -1.708 -1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.629 -1.131 -1.547 1.00 0.00 H new ATOM 1077 N LEU A 66 13.355 -6.294 0.959 1.00 0.00 N ATOM 1078 CA LEU A 66 13.005 -6.897 2.247 1.00 0.00 C ATOM 1079 C LEU A 66 13.782 -8.198 2.477 1.00 0.00 C ATOM 1080 O LEU A 66 14.235 -8.469 3.590 1.00 0.00 O ATOM 1081 CB LEU A 66 11.498 -7.173 2.315 1.00 0.00 C ATOM 1082 CG LEU A 66 10.985 -7.677 3.668 1.00 0.00 C ATOM 1083 CD1 LEU A 66 10.994 -6.559 4.701 1.00 0.00 C ATOM 1084 CD2 LEU A 66 9.587 -8.264 3.523 1.00 0.00 C ATOM 0 H LEU A 66 12.576 -6.223 0.304 1.00 0.00 H new ATOM 0 HA LEU A 66 13.276 -6.190 3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.966 -6.256 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.245 -7.909 1.552 1.00 0.00 H new ATOM 0 HG LEU A 66 11.655 -8.464 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.626 -6.941 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.011 -6.189 4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.351 -5.746 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.238 -8.617 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.908 -7.498 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.613 -9.098 2.822 1.00 0.00 H new ATOM 1096 N ASP A 67 13.931 -8.996 1.413 1.00 0.00 N ATOM 1097 CA ASP A 67 14.653 -10.272 1.490 1.00 0.00 C ATOM 1098 C ASP A 67 16.086 -10.071 1.992 1.00 0.00 C ATOM 1099 O ASP A 67 16.626 -10.918 2.703 1.00 0.00 O ATOM 1100 CB ASP A 67 14.679 -10.953 0.116 1.00 0.00 C ATOM 1101 CG ASP A 67 13.371 -11.647 -0.222 1.00 0.00 C ATOM 1102 OD1 ASP A 67 12.331 -10.960 -0.288 1.00 0.00 O ATOM 1103 OD2 ASP A 67 13.390 -12.879 -0.427 1.00 0.00 O ATOM 0 H ASP A 67 13.561 -8.780 0.487 1.00 0.00 H new ATOM 0 HA ASP A 67 14.126 -10.909 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.898 -10.208 -0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.489 -11.682 0.092 1.00 0.00 H new ATOM 1108 N ARG A 68 16.689 -8.942 1.621 1.00 0.00 N ATOM 1109 CA ARG A 68 18.053 -8.620 2.037 1.00 0.00 C ATOM 1110 C ARG A 68 18.116 -8.354 3.542 1.00 0.00 C ATOM 1111 O ARG A 68 19.108 -8.680 4.197 1.00 0.00 O ATOM 1112 CB ARG A 68 18.568 -7.400 1.266 1.00 0.00 C ATOM 1113 CG ARG A 68 19.931 -7.610 0.624 1.00 0.00 C ATOM 1114 CD ARG A 68 19.875 -8.657 -0.477 1.00 0.00 C ATOM 1115 NE ARG A 68 20.002 -8.065 -1.809 1.00 0.00 N ATOM 1116 CZ ARG A 68 21.163 -7.698 -2.359 1.00 0.00 C ATOM 1117 NH1 ARG A 68 22.305 -7.841 -1.688 1.00 0.00 N ATOM 1118 NH2 ARG A 68 21.183 -7.185 -3.585 1.00 0.00 N ATOM 0 H ARG A 68 16.253 -8.233 1.031 1.00 0.00 H new ATOM 0 HA ARG A 68 18.688 -9.477 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.847 -7.141 0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.624 -6.550 1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.289 -6.667 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.648 -7.919 1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 68 20.674 -9.383 -0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.933 -9.201 -0.411 1.00 0.00 H new ATOM 0 HE ARG A 68 19.150 -7.924 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.298 -8.233 -0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 68 23.187 -7.558 -2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.313 -7.072 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.069 -6.904 -4.006 1.00 0.00 H new ATOM 1132 N SER A 69 17.052 -7.761 4.086 1.00 0.00 N ATOM 1133 CA SER A 69 16.989 -7.455 5.513 1.00 0.00 C ATOM 1134 C SER A 69 16.576 -8.686 6.321 1.00 0.00 C ATOM 1135 O SER A 69 15.389 -8.998 6.433 1.00 0.00 O ATOM 1136 CB SER A 69 16.008 -6.307 5.770 1.00 0.00 C ATOM 1137 OG SER A 69 16.145 -5.802 7.088 1.00 0.00 O ATOM 0 H SER A 69 16.224 -7.484 3.559 1.00 0.00 H new ATOM 0 HA SER A 69 17.985 -7.151 5.835 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.184 -5.507 5.051 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.987 -6.656 5.616 1.00 0.00 H new ATOM 0 HG SER A 69 15.809 -4.882 7.122 1.00 0.00 H new ATOM 1143 N SER A 70 17.565 -9.379 6.888 1.00 0.00 N ATOM 1144 CA SER A 70 17.307 -10.575 7.694 1.00 0.00 C ATOM 1145 C SER A 70 16.496 -10.239 8.949 1.00 0.00 C ATOM 1146 O SER A 70 15.683 -11.046 9.402 1.00 0.00 O ATOM 1147 CB SER A 70 18.627 -11.241 8.098 1.00 0.00 C ATOM 1148 OG SER A 70 19.656 -10.281 8.270 1.00 0.00 O ATOM 0 H SER A 70 18.551 -9.133 6.804 1.00 0.00 H new ATOM 0 HA SER A 70 16.725 -11.264 7.083 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.487 -11.798 9.025 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.922 -11.961 7.335 1.00 0.00 H new ATOM 0 HG SER A 70 20.486 -10.734 8.529 1.00 0.00 H new ATOM 1154 N SER A 71 16.724 -9.047 9.507 1.00 0.00 N ATOM 1155 CA SER A 71 16.014 -8.613 10.711 1.00 0.00 C ATOM 1156 C SER A 71 14.547 -8.303 10.408 1.00 0.00 C ATOM 1157 O SER A 71 13.651 -8.771 11.109 1.00 0.00 O ATOM 1158 CB SER A 71 16.694 -7.382 11.321 1.00 0.00 C ATOM 1159 OG SER A 71 16.961 -6.400 10.334 1.00 0.00 O ATOM 0 H SER A 71 17.393 -8.368 9.145 1.00 0.00 H new ATOM 0 HA SER A 71 16.049 -9.432 11.430 1.00 0.00 H new ATOM 0 HB2 SER A 71 16.056 -6.958 12.096 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.625 -7.679 11.803 1.00 0.00 H new ATOM 0 HG SER A 71 17.393 -5.626 10.751 1.00 0.00 H new ATOM 1165 N MET A 72 14.312 -7.509 9.362 1.00 0.00 N ATOM 1166 CA MET A 72 12.951 -7.141 8.971 1.00 0.00 C ATOM 1167 C MET A 72 12.186 -8.351 8.441 1.00 0.00 C ATOM 1168 O MET A 72 12.768 -9.246 7.826 1.00 0.00 O ATOM 1169 CB MET A 72 12.977 -6.034 7.909 1.00 0.00 C ATOM 1170 CG MET A 72 12.263 -4.763 8.336 1.00 0.00 C ATOM 1171 SD MET A 72 12.741 -3.333 7.349 1.00 0.00 S ATOM 1172 CE MET A 72 13.749 -2.436 8.525 1.00 0.00 C ATOM 0 H MET A 72 15.043 -7.110 8.773 1.00 0.00 H new ATOM 0 HA MET A 72 12.438 -6.770 9.859 1.00 0.00 H new ATOM 0 HB2 MET A 72 14.013 -5.796 7.670 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.518 -6.409 6.994 1.00 0.00 H new ATOM 0 HG2 MET A 72 11.186 -4.911 8.256 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.480 -4.564 9.386 1.00 0.00 H new ATOM 0 HE1 MET A 72 14.121 -1.522 8.063 1.00 0.00 H new ATOM 0 HE2 MET A 72 13.149 -2.182 9.399 1.00 0.00 H new ATOM 0 HE3 MET A 72 14.591 -3.057 8.830 1.00 0.00 H new ATOM 1182 N LYS A 73 10.877 -8.369 8.683 1.00 0.00 N ATOM 1183 CA LYS A 73 10.024 -9.467 8.230 1.00 0.00 C ATOM 1184 C LYS A 73 8.705 -8.945 7.651 1.00 0.00 C ATOM 1185 O LYS A 73 8.298 -9.350 6.561 1.00 0.00 O ATOM 1186 CB LYS A 73 9.752 -10.456 9.372 1.00 0.00 C ATOM 1187 CG LYS A 73 9.420 -9.802 10.706 1.00 0.00 C ATOM 1188 CD LYS A 73 7.986 -10.085 11.124 1.00 0.00 C ATOM 1189 CE LYS A 73 7.911 -11.206 12.152 1.00 0.00 C ATOM 1190 NZ LYS A 73 8.335 -12.516 11.580 1.00 0.00 N ATOM 0 H LYS A 73 10.383 -7.635 9.191 1.00 0.00 H new ATOM 0 HA LYS A 73 10.557 -9.992 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.925 -11.106 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.627 -11.092 9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.103 -10.169 11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.573 -8.725 10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.542 -9.180 11.539 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.398 -10.355 10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.545 -10.960 13.004 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.891 -11.287 12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.269 -13.252 12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.715 -12.764 10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.317 -12.447 11.246 1.00 0.00 H new ATOM 1204 N SER A 74 8.045 -8.041 8.377 1.00 0.00 N ATOM 1205 CA SER A 74 6.779 -7.468 7.922 1.00 0.00 C ATOM 1206 C SER A 74 7.019 -6.386 6.868 1.00 0.00 C ATOM 1207 O SER A 74 8.159 -5.985 6.626 1.00 0.00 O ATOM 1208 CB SER A 74 5.997 -6.881 9.103 1.00 0.00 C ATOM 1209 OG SER A 74 6.330 -7.530 10.320 1.00 0.00 O ATOM 0 H SER A 74 8.366 -7.691 9.280 1.00 0.00 H new ATOM 0 HA SER A 74 6.191 -8.268 7.472 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.209 -5.815 9.188 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.927 -6.979 8.918 1.00 0.00 H new ATOM 0 HG SER A 74 5.817 -7.132 11.054 1.00 0.00 H new ATOM 1215 N LEU A 75 5.940 -5.917 6.243 1.00 0.00 N ATOM 1216 CA LEU A 75 6.036 -4.882 5.217 1.00 0.00 C ATOM 1217 C LEU A 75 5.628 -3.521 5.781 1.00 0.00 C ATOM 1218 O LEU A 75 4.490 -3.341 6.213 1.00 0.00 O ATOM 1219 CB LEU A 75 5.147 -5.232 4.018 1.00 0.00 C ATOM 1220 CG LEU A 75 5.711 -6.288 3.059 1.00 0.00 C ATOM 1221 CD1 LEU A 75 6.947 -5.760 2.344 1.00 0.00 C ATOM 1222 CD2 LEU A 75 6.029 -7.580 3.802 1.00 0.00 C ATOM 0 H LEU A 75 4.990 -6.238 6.430 1.00 0.00 H new ATOM 0 HA LEU A 75 7.074 -4.829 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.186 -5.584 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.955 -4.320 3.453 1.00 0.00 H new ATOM 0 HG LEU A 75 4.950 -6.506 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.331 -6.525 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.684 -4.870 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.712 -5.507 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.428 -8.314 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.768 -7.381 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.119 -7.971 4.258 1.00 0.00 H new ATOM 1234 N ARG A 76 6.563 -2.569 5.776 1.00 0.00 N ATOM 1235 CA ARG A 76 6.289 -1.227 6.288 1.00 0.00 C ATOM 1236 C ARG A 76 5.813 -0.301 5.167 1.00 0.00 C ATOM 1237 O ARG A 76 6.606 0.440 4.581 1.00 0.00 O ATOM 1238 CB ARG A 76 7.537 -0.643 6.961 1.00 0.00 C ATOM 1239 CG ARG A 76 7.753 -1.127 8.388 1.00 0.00 C ATOM 1240 CD ARG A 76 8.536 -0.111 9.208 1.00 0.00 C ATOM 1241 NE ARG A 76 7.667 0.902 9.811 1.00 0.00 N ATOM 1242 CZ ARG A 76 8.098 2.081 10.266 1.00 0.00 C ATOM 1243 NH1 ARG A 76 9.386 2.408 10.190 1.00 0.00 N ATOM 1244 NH2 ARG A 76 7.236 2.942 10.798 1.00 0.00 N ATOM 0 H ARG A 76 7.511 -2.702 5.425 1.00 0.00 H new ATOM 0 HA ARG A 76 5.494 -1.306 7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.413 -0.899 6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.461 0.444 6.964 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.788 -1.312 8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.289 -2.076 8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.087 -0.628 9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.273 0.378 8.570 1.00 0.00 H new ATOM 0 HE ARG A 76 6.671 0.694 9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.055 1.755 9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.704 3.311 10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.247 2.702 10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.564 3.843 11.146 1.00 0.00 H new ATOM 1258 N ILE A 77 4.514 -0.352 4.874 1.00 0.00 N ATOM 1259 CA ILE A 77 3.927 0.479 3.825 1.00 0.00 C ATOM 1260 C ILE A 77 3.042 1.572 4.423 1.00 0.00 C ATOM 1261 O ILE A 77 2.159 1.291 5.238 1.00 0.00 O ATOM 1262 CB ILE A 77 3.090 -0.364 2.839 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.893 -1.567 2.337 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.623 0.491 1.669 1.00 0.00 C ATOM 1265 CD1 ILE A 77 3.168 -2.883 2.504 1.00 0.00 C ATOM 0 H ILE A 77 3.848 -0.961 5.349 1.00 0.00 H new ATOM 0 HA ILE A 77 4.754 0.938 3.284 1.00 0.00 H new ATOM 0 HB ILE A 77 2.212 -0.736 3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.130 -1.422 1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.841 -1.612 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.035 -0.120 0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.010 1.313 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.489 0.893 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.793 -3.693 2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.954 -3.049 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.233 -2.857 1.944 1.00 0.00 H new ATOM 1277 N LEU A 78 3.286 2.815 4.008 1.00 0.00 N ATOM 1278 CA LEU A 78 2.517 3.957 4.501 1.00 0.00 C ATOM 1279 C LEU A 78 1.672 4.581 3.388 1.00 0.00 C ATOM 1280 O LEU A 78 2.197 4.980 2.348 1.00 0.00 O ATOM 1281 CB LEU A 78 3.454 5.013 5.101 1.00 0.00 C ATOM 1282 CG LEU A 78 4.533 5.551 4.153 1.00 0.00 C ATOM 1283 CD1 LEU A 78 4.640 7.066 4.263 1.00 0.00 C ATOM 1284 CD2 LEU A 78 5.876 4.897 4.445 1.00 0.00 C ATOM 0 H LEU A 78 4.010 3.057 3.332 1.00 0.00 H new ATOM 0 HA LEU A 78 1.843 3.594 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.852 5.851 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.944 4.585 5.976 1.00 0.00 H new ATOM 0 HG LEU A 78 4.245 5.303 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.411 7.427 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.684 7.518 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.902 7.339 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.629 5.291 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.170 5.112 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.793 3.819 4.309 1.00 0.00 H new ATOM 1296 N LEU A 79 0.363 4.667 3.619 1.00 0.00 N ATOM 1297 CA LEU A 79 -0.548 5.254 2.637 1.00 0.00 C ATOM 1298 C LEU A 79 -1.140 6.560 3.163 1.00 0.00 C ATOM 1299 O LEU A 79 -1.617 6.625 4.298 1.00 0.00 O ATOM 1300 CB LEU A 79 -1.668 4.272 2.264 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.442 3.662 3.439 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -3.689 4.478 3.747 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -2.811 2.217 3.135 1.00 0.00 C ATOM 0 H LEU A 79 -0.089 4.340 4.473 1.00 0.00 H new ATOM 0 HA LEU A 79 0.027 5.470 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.376 4.788 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.234 3.461 1.680 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.800 3.680 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.222 4.026 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.402 5.497 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.338 4.496 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.360 1.797 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.434 2.181 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.903 1.637 2.968 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.096 7.599 2.332 1.00 0.00 N ATOM 1316 CA LEU A 80 -1.618 8.912 2.708 1.00 0.00 C ATOM 1317 C LEU A 80 -2.717 9.366 1.749 1.00 0.00 C ATOM 1318 O LEU A 80 -2.720 8.997 0.572 1.00 0.00 O ATOM 1319 CB LEU A 80 -0.487 9.946 2.731 1.00 0.00 C ATOM 1320 CG LEU A 80 0.807 9.483 3.410 1.00 0.00 C ATOM 1321 CD1 LEU A 80 1.751 8.853 2.394 1.00 0.00 C ATOM 1322 CD2 LEU A 80 1.484 10.645 4.123 1.00 0.00 C ATOM 0 H LEU A 80 -0.703 7.557 1.392 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.049 8.827 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.257 10.233 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.845 10.841 3.239 1.00 0.00 H new ATOM 0 HG LEU A 80 0.552 8.728 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.663 8.531 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.267 7.992 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.999 9.585 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.401 10.296 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.724 11.425 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.812 11.048 4.881 1.00 0.00 H new ATOM 1334 N SER A 81 -3.642 10.177 2.263 1.00 0.00 N ATOM 1335 CA SER A 81 -4.745 10.695 1.459 1.00 0.00 C ATOM 1336 C SER A 81 -4.448 12.106 0.963 1.00 0.00 C ATOM 1337 O SER A 81 -3.787 12.890 1.648 1.00 0.00 O ATOM 1338 CB SER A 81 -6.045 10.701 2.266 1.00 0.00 C ATOM 1339 OG SER A 81 -7.171 10.651 1.407 1.00 0.00 O ATOM 0 H SER A 81 -3.648 10.489 3.234 1.00 0.00 H new ATOM 0 HA SER A 81 -4.860 10.038 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.061 9.848 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.092 11.599 2.882 1.00 0.00 H new ATOM 0 HG SER A 81 -6.916 10.233 0.558 1.00 0.00 H new ATOM 1345 N GLN A 82 -4.954 12.426 -0.226 1.00 0.00 N ATOM 1346 CA GLN A 82 -4.763 13.749 -0.814 1.00 0.00 C ATOM 1347 C GLN A 82 -5.880 14.712 -0.411 1.00 0.00 C ATOM 1348 O GLN A 82 -5.946 15.843 -0.900 1.00 0.00 O ATOM 1349 CB GLN A 82 -4.647 13.658 -2.342 1.00 0.00 C ATOM 1350 CG GLN A 82 -5.921 13.209 -3.042 1.00 0.00 C ATOM 1351 CD GLN A 82 -5.684 12.038 -3.982 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -5.987 12.111 -5.173 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -5.138 10.952 -3.449 1.00 0.00 N ATOM 0 H GLN A 82 -5.500 11.785 -0.802 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.827 14.148 -0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.357 14.634 -2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.845 12.964 -2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.663 12.927 -2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.337 14.045 -3.605 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.902 10.934 -2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.954 10.135 -4.032 1.00 0.00 H new