USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 725 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 25 GLN : amide:sc= 0.0182 X(o=0.043,f=-0.008) USER MOD Set 1.2: A 85 TYR OH : rot 167:sc= 0.0247 USER MOD Single : A 5 LYS NZ :NH3+ -153:sc=-0.00381 (180deg=-0.663) USER MOD Single : A 7 ASN : amide:sc= -3.79! C(o=-3.8!,f=-4.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 62:sc= -0.737 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.6!) USER MOD Single : A 28 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -146:sc= -4.07! (180deg=-6.21!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 168:sc= -2.19 (180deg=-2.4) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 120:sc= -1.6 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.61) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.03 K(o=-1,f=-5.6!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 75 ASN : amide:sc=-4.23e-05 X(o=-4.2e-05,f=-0.19) USER MOD Single : A 76 THR OG1 : rot -81:sc= 0.958 USER MOD Single : A 79 ASN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.629 -12.373 -9.554 1.00 0.00 N ATOM 31 CA LEU A 3 -10.386 -12.120 -8.139 1.00 0.00 C ATOM 32 C LEU A 3 -11.226 -13.048 -7.268 1.00 0.00 C ATOM 33 O LEU A 3 -12.428 -12.843 -7.103 1.00 0.00 O ATOM 34 CB LEU A 3 -10.698 -10.662 -7.799 1.00 0.00 C ATOM 35 CG LEU A 3 -9.708 -9.639 -8.359 1.00 0.00 C ATOM 36 CD1 LEU A 3 -10.254 -8.228 -8.205 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.360 -9.771 -7.668 1.00 0.00 C ATOM 0 HA LEU A 3 -9.333 -12.316 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.694 -10.423 -8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.731 -10.557 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.570 -9.838 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.536 -7.514 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.196 -8.141 -8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.422 -8.016 -7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.667 -9.036 -8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.481 -9.598 -6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.964 -10.773 -7.831 1.00 0.00 H new ATOM 49 N LEU A 4 -10.584 -14.072 -6.712 1.00 0.00 N ATOM 50 CA LEU A 4 -11.273 -15.032 -5.858 1.00 0.00 C ATOM 51 C LEU A 4 -11.745 -14.371 -4.567 1.00 0.00 C ATOM 52 O LEU A 4 -11.267 -13.300 -4.195 1.00 0.00 O ATOM 53 CB LEU A 4 -10.351 -16.210 -5.533 1.00 0.00 C ATOM 54 CG LEU A 4 -11.050 -17.565 -5.415 1.00 0.00 C ATOM 55 CD1 LEU A 4 -11.144 -18.238 -6.775 1.00 0.00 C ATOM 56 CD2 LEU A 4 -10.315 -18.458 -4.426 1.00 0.00 C ATOM 0 H LEU A 4 -9.589 -14.257 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.146 -15.400 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.587 -16.278 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.836 -16.001 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.062 -17.400 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.644 -19.201 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.713 -17.605 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.142 -18.391 -7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.826 -19.418 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.292 -18.616 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.300 -17.981 -3.446 1.00 0.00 H new ATOM 68 N LYS A 5 -12.688 -15.018 -3.888 1.00 0.00 N ATOM 69 CA LYS A 5 -13.226 -14.493 -2.639 1.00 0.00 C ATOM 70 C LYS A 5 -12.126 -14.347 -1.591 1.00 0.00 C ATOM 71 O LYS A 5 -11.975 -13.289 -0.978 1.00 0.00 O ATOM 72 CB LYS A 5 -14.331 -15.409 -2.111 1.00 0.00 C ATOM 73 CG LYS A 5 -15.354 -14.692 -1.245 1.00 0.00 C ATOM 74 CD LYS A 5 -16.585 -14.301 -2.045 1.00 0.00 C ATOM 75 CE LYS A 5 -16.470 -12.885 -2.588 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.997 -12.867 -3.999 1.00 0.00 N ATOM 0 H LYS A 5 -13.095 -15.906 -4.182 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.645 -13.507 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.842 -15.871 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.878 -16.214 -1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.647 -15.337 -0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.903 -13.800 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.720 -14.999 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.470 -14.379 -1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.440 -12.392 -2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.781 -12.313 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.506 -11.970 -4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.343 -13.660 -4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.811 -12.958 -4.639 1.00 0.00 H new ATOM 90 N ALA A 6 -11.362 -15.415 -1.390 1.00 0.00 N ATOM 91 CA ALA A 6 -10.277 -15.406 -0.417 1.00 0.00 C ATOM 92 C ALA A 6 -9.109 -14.557 -0.905 1.00 0.00 C ATOM 93 O ALA A 6 -8.427 -13.908 -0.111 1.00 0.00 O ATOM 94 CB ALA A 6 -9.816 -16.828 -0.130 1.00 0.00 C ATOM 0 H ALA A 6 -11.474 -16.298 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.652 -14.963 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.005 -16.808 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.649 -17.407 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.464 -17.289 -1.052 1.00 0.00 H new ATOM 100 N ASN A 7 -8.884 -14.566 -2.214 1.00 0.00 N ATOM 101 CA ASN A 7 -7.796 -13.796 -2.808 1.00 0.00 C ATOM 102 C ASN A 7 -8.068 -12.299 -2.700 1.00 0.00 C ATOM 103 O ASN A 7 -7.204 -11.530 -2.278 1.00 0.00 O ATOM 104 CB ASN A 7 -7.608 -14.187 -4.275 1.00 0.00 C ATOM 105 CG ASN A 7 -6.632 -15.335 -4.448 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.817 -15.338 -5.370 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.710 -16.319 -3.558 1.00 0.00 N ATOM 0 H ASN A 7 -9.440 -15.097 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.882 -14.022 -2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.572 -14.466 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.251 -13.323 -4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.079 -17.117 -3.624 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.401 -16.276 -2.809 1.00 0.00 H new ATOM 114 N LYS A 8 -9.275 -11.893 -3.081 1.00 0.00 N ATOM 115 CA LYS A 8 -9.660 -10.487 -3.026 1.00 0.00 C ATOM 116 C LYS A 8 -9.885 -10.043 -1.584 1.00 0.00 C ATOM 117 O LYS A 8 -9.658 -8.883 -1.239 1.00 0.00 O ATOM 118 CB LYS A 8 -10.928 -10.252 -3.848 1.00 0.00 C ATOM 119 CG LYS A 8 -11.146 -8.797 -4.228 1.00 0.00 C ATOM 120 CD LYS A 8 -12.447 -8.609 -4.993 1.00 0.00 C ATOM 121 CE LYS A 8 -12.858 -7.146 -5.039 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.333 -6.988 -5.157 1.00 0.00 N ATOM 0 H LYS A 8 -10.002 -12.517 -3.431 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.848 -9.895 -3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.879 -10.852 -4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.789 -10.603 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.160 -8.183 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.311 -8.450 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.332 -8.988 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.236 -9.195 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.510 -6.642 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.372 -6.659 -5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.573 -5.976 -5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.662 -7.446 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.796 -7.431 -4.338 1.00 0.00 H new ATOM 136 N ASP A 9 -10.333 -10.973 -0.747 1.00 0.00 N ATOM 137 CA ASP A 9 -10.589 -10.677 0.658 1.00 0.00 C ATOM 138 C ASP A 9 -9.310 -10.245 1.366 1.00 0.00 C ATOM 139 O ASP A 9 -9.344 -9.436 2.293 1.00 0.00 O ATOM 140 CB ASP A 9 -11.184 -11.901 1.357 1.00 0.00 C ATOM 141 CG ASP A 9 -12.699 -11.919 1.302 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.261 -11.493 0.270 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.324 -12.358 2.291 1.00 0.00 O ATOM 0 H ASP A 9 -10.526 -11.937 -1.017 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.304 -9.855 0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.796 -12.807 0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.861 -11.914 2.398 1.00 0.00 H new ATOM 148 N LEU A 10 -8.182 -10.792 0.925 1.00 0.00 N ATOM 149 CA LEU A 10 -6.890 -10.467 1.515 1.00 0.00 C ATOM 150 C LEU A 10 -6.452 -9.056 1.135 1.00 0.00 C ATOM 151 O LEU A 10 -5.981 -8.293 1.978 1.00 0.00 O ATOM 152 CB LEU A 10 -5.840 -11.484 1.066 1.00 0.00 C ATOM 153 CG LEU A 10 -5.359 -12.442 2.157 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.277 -13.365 1.619 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.848 -11.663 3.360 1.00 0.00 C ATOM 0 H LEU A 10 -8.137 -11.464 0.159 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.990 -10.509 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.252 -12.070 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.979 -10.944 0.672 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.203 -13.054 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.948 -14.039 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.676 -13.947 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.431 -12.771 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.510 -12.359 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.017 -11.027 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.651 -11.044 3.760 1.00 0.00 H new ATOM 167 N ILE A 11 -6.608 -8.716 -0.141 1.00 0.00 N ATOM 168 CA ILE A 11 -6.226 -7.397 -0.632 1.00 0.00 C ATOM 169 C ILE A 11 -7.129 -6.311 -0.056 1.00 0.00 C ATOM 170 O ILE A 11 -6.681 -5.195 0.210 1.00 0.00 O ATOM 171 CB ILE A 11 -6.279 -7.330 -2.171 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.505 -8.501 -2.780 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.719 -6.004 -2.664 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.501 -8.501 -4.294 1.00 0.00 C ATOM 0 H ILE A 11 -6.996 -9.335 -0.853 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.201 -7.225 -0.304 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.320 -7.402 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.476 -8.471 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.939 -9.436 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.763 -5.972 -3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.309 -5.185 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.683 -5.904 -2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.934 -9.359 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.526 -8.562 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.040 -7.582 -4.657 1.00 0.00 H new ATOM 186 N SER A 12 -8.402 -6.643 0.135 1.00 0.00 N ATOM 187 CA SER A 12 -9.365 -5.692 0.680 1.00 0.00 C ATOM 188 C SER A 12 -8.918 -5.190 2.049 1.00 0.00 C ATOM 189 O SER A 12 -9.026 -4.001 2.350 1.00 0.00 O ATOM 190 CB SER A 12 -10.748 -6.338 0.785 1.00 0.00 C ATOM 191 OG SER A 12 -10.646 -7.746 0.895 1.00 0.00 O ATOM 0 H SER A 12 -8.790 -7.562 -0.079 1.00 0.00 H new ATOM 0 HA SER A 12 -9.421 -4.840 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.274 -5.940 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.341 -6.081 -0.093 1.00 0.00 H new ATOM 0 HG SER A 12 -10.163 -7.976 1.716 1.00 0.00 H new ATOM 197 N ALA A 13 -8.413 -6.103 2.873 1.00 0.00 N ATOM 198 CA ALA A 13 -7.946 -5.750 4.207 1.00 0.00 C ATOM 199 C ALA A 13 -6.820 -4.725 4.136 1.00 0.00 C ATOM 200 O ALA A 13 -6.836 -3.719 4.845 1.00 0.00 O ATOM 201 CB ALA A 13 -7.486 -6.994 4.952 1.00 0.00 C ATOM 0 H ALA A 13 -8.317 -7.091 2.640 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.777 -5.303 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.140 -6.715 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.317 -7.694 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.671 -7.466 4.403 1.00 0.00 H new ATOM 207 N GLY A 14 -5.845 -4.987 3.272 1.00 0.00 N ATOM 208 CA GLY A 14 -4.724 -4.078 3.120 1.00 0.00 C ATOM 209 C GLY A 14 -5.130 -2.760 2.491 1.00 0.00 C ATOM 210 O GLY A 14 -4.579 -1.711 2.822 1.00 0.00 O ATOM 0 H GLY A 14 -5.811 -5.813 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.278 -3.889 4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.958 -4.550 2.505 1.00 0.00 H new ATOM 214 N LEU A 15 -6.096 -2.815 1.579 1.00 0.00 N ATOM 215 CA LEU A 15 -6.577 -1.617 0.900 1.00 0.00 C ATOM 216 C LEU A 15 -7.112 -0.598 1.903 1.00 0.00 C ATOM 217 O LEU A 15 -6.766 0.582 1.849 1.00 0.00 O ATOM 218 CB LEU A 15 -7.667 -1.981 -0.111 1.00 0.00 C ATOM 219 CG LEU A 15 -7.398 -1.524 -1.546 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.535 -1.948 -2.463 1.00 0.00 C ATOM 221 CD2 LEU A 15 -7.205 -0.016 -1.595 1.00 0.00 C ATOM 0 H LEU A 15 -6.561 -3.677 1.293 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.737 -1.168 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.796 -3.063 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.610 -1.547 0.222 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.482 -2.000 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.326 -1.614 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.628 -3.034 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.467 -1.500 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.015 0.293 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.105 0.478 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.357 0.263 -0.969 1.00 0.00 H new ATOM 233 N LYS A 16 -7.957 -1.063 2.817 1.00 0.00 N ATOM 234 CA LYS A 16 -8.541 -0.193 3.832 1.00 0.00 C ATOM 235 C LYS A 16 -7.482 0.271 4.827 1.00 0.00 C ATOM 236 O LYS A 16 -7.545 1.388 5.340 1.00 0.00 O ATOM 237 CB LYS A 16 -9.667 -0.920 4.570 1.00 0.00 C ATOM 238 CG LYS A 16 -9.231 -2.230 5.205 1.00 0.00 C ATOM 239 CD LYS A 16 -10.245 -2.718 6.226 1.00 0.00 C ATOM 240 CE LYS A 16 -9.827 -2.356 7.642 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.180 -3.426 8.616 1.00 0.00 N ATOM 0 H LYS A 16 -8.253 -2.037 2.876 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.951 0.684 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.065 -0.265 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.480 -1.117 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.101 -2.986 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.262 -2.097 5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.220 -2.281 6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.355 -3.799 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.752 -2.181 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.310 -1.424 7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.878 -3.141 9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.209 -3.576 8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.699 -4.309 8.351 1.00 0.00 H new ATOM 255 N GLU A 17 -6.510 -0.595 5.095 1.00 0.00 N ATOM 256 CA GLU A 17 -5.437 -0.274 6.030 1.00 0.00 C ATOM 257 C GLU A 17 -4.652 0.947 5.561 1.00 0.00 C ATOM 258 O GLU A 17 -4.226 1.772 6.368 1.00 0.00 O ATOM 259 CB GLU A 17 -4.496 -1.469 6.189 1.00 0.00 C ATOM 260 CG GLU A 17 -5.006 -2.520 7.163 1.00 0.00 C ATOM 261 CD GLU A 17 -3.905 -3.082 8.041 1.00 0.00 C ATOM 262 OE1 GLU A 17 -3.428 -2.353 8.935 1.00 0.00 O ATOM 263 OE2 GLU A 17 -3.520 -4.252 7.833 1.00 0.00 O ATOM 0 H GLU A 17 -6.443 -1.524 4.679 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.888 -0.044 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.343 -1.933 5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.524 -1.112 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.780 -2.082 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.471 -3.332 6.605 1.00 0.00 H new ATOM 270 N PHE A 18 -4.464 1.055 4.249 1.00 0.00 N ATOM 271 CA PHE A 18 -3.730 2.175 3.673 1.00 0.00 C ATOM 272 C PHE A 18 -4.554 3.456 3.734 1.00 0.00 C ATOM 273 O PHE A 18 -4.023 4.537 3.991 1.00 0.00 O ATOM 274 CB PHE A 18 -3.347 1.869 2.223 1.00 0.00 C ATOM 275 CG PHE A 18 -1.994 2.392 1.836 1.00 0.00 C ATOM 276 CD1 PHE A 18 -1.853 3.669 1.317 1.00 0.00 C ATOM 277 CD2 PHE A 18 -0.862 1.606 1.990 1.00 0.00 C ATOM 278 CE1 PHE A 18 -0.608 4.154 0.961 1.00 0.00 C ATOM 279 CE2 PHE A 18 0.384 2.086 1.634 1.00 0.00 C ATOM 280 CZ PHE A 18 0.512 3.360 1.120 1.00 0.00 C ATOM 0 H PHE A 18 -4.810 0.381 3.566 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.822 2.321 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.367 0.790 2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.097 2.299 1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.725 4.293 1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.955 0.608 2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.511 5.152 0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.258 1.464 1.758 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.486 3.736 0.842 1.00 0.00 H new ATOM 290 N SER A 19 -5.856 3.329 3.496 1.00 0.00 N ATOM 291 CA SER A 19 -6.754 4.477 3.523 1.00 0.00 C ATOM 292 C SER A 19 -6.853 5.058 4.930 1.00 0.00 C ATOM 293 O SER A 19 -6.686 6.261 5.130 1.00 0.00 O ATOM 294 CB SER A 19 -8.144 4.075 3.027 1.00 0.00 C ATOM 295 OG SER A 19 -8.230 4.173 1.615 1.00 0.00 O ATOM 0 H SER A 19 -6.312 2.442 3.282 1.00 0.00 H new ATOM 0 HA SER A 19 -6.346 5.241 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.363 3.053 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.897 4.716 3.486 1.00 0.00 H new ATOM 0 HG SER A 19 -9.127 3.909 1.323 1.00 0.00 H new ATOM 301 N VAL A 20 -7.125 4.195 5.903 1.00 0.00 N ATOM 302 CA VAL A 20 -7.246 4.622 7.292 1.00 0.00 C ATOM 303 C VAL A 20 -5.934 5.204 7.803 1.00 0.00 C ATOM 304 O VAL A 20 -5.912 6.261 8.434 1.00 0.00 O ATOM 305 CB VAL A 20 -7.678 3.453 8.203 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.562 2.429 8.352 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.123 3.971 9.562 1.00 0.00 C ATOM 0 H VAL A 20 -7.266 3.196 5.755 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.014 5.395 7.323 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.524 2.954 7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.896 1.618 8.999 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.303 2.028 7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.686 2.907 8.792 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.424 3.133 10.190 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.298 4.503 10.037 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.966 4.650 9.434 1.00 0.00 H new ATOM 317 N LEU A 21 -4.842 4.503 7.525 1.00 0.00 N ATOM 318 CA LEU A 21 -3.519 4.942 7.953 1.00 0.00 C ATOM 319 C LEU A 21 -3.191 6.319 7.386 1.00 0.00 C ATOM 320 O LEU A 21 -2.553 7.139 8.047 1.00 0.00 O ATOM 321 CB LEU A 21 -2.456 3.931 7.516 1.00 0.00 C ATOM 322 CG LEU A 21 -1.091 4.096 8.185 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.060 3.367 9.519 1.00 0.00 C ATOM 324 CD2 LEU A 21 0.014 3.588 7.272 1.00 0.00 C ATOM 0 H LEU A 21 -4.846 3.626 7.004 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.522 5.009 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.825 2.926 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.326 4.007 6.436 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.923 5.157 8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.081 3.495 9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.828 3.777 10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.249 2.306 9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.979 3.713 7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.149 2.532 7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.006 4.154 6.341 1.00 0.00 H new ATOM 336 N LEU A 22 -3.632 6.567 6.157 1.00 0.00 N ATOM 337 CA LEU A 22 -3.385 7.846 5.500 1.00 0.00 C ATOM 338 C LEU A 22 -4.199 8.959 6.153 1.00 0.00 C ATOM 339 O LEU A 22 -3.770 10.112 6.197 1.00 0.00 O ATOM 340 CB LEU A 22 -3.727 7.753 4.012 1.00 0.00 C ATOM 341 CG LEU A 22 -2.678 7.050 3.149 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.228 6.777 1.757 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.410 7.885 3.069 1.00 0.00 C ATOM 0 H LEU A 22 -4.162 5.900 5.596 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.327 8.084 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.675 7.226 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.877 8.761 3.626 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.432 6.095 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.468 6.276 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.109 6.139 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.502 7.719 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.674 7.370 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.640 8.855 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.006 8.029 4.071 1.00 0.00 H new ATOM 355 N ASN A 23 -5.376 8.606 6.659 1.00 0.00 N ATOM 356 CA ASN A 23 -6.251 9.574 7.310 1.00 0.00 C ATOM 357 C ASN A 23 -5.562 10.206 8.514 1.00 0.00 C ATOM 358 O ASN A 23 -5.830 11.357 8.862 1.00 0.00 O ATOM 359 CB ASN A 23 -7.554 8.903 7.747 1.00 0.00 C ATOM 360 CG ASN A 23 -8.756 9.812 7.585 1.00 0.00 C ATOM 361 OD1 ASN A 23 -9.335 9.907 6.503 1.00 0.00 O ATOM 362 ND2 ASN A 23 -9.136 10.488 8.663 1.00 0.00 N ATOM 0 H ASN A 23 -5.746 7.656 6.631 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.480 10.360 6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.706 7.996 7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.470 8.599 8.790 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.938 11.117 8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.626 10.378 9.540 1.00 0.00 H new ATOM 369 N GLN A 24 -4.673 9.448 9.149 1.00 0.00 N ATOM 370 CA GLN A 24 -3.945 9.936 10.315 1.00 0.00 C ATOM 371 C GLN A 24 -3.085 11.143 9.954 1.00 0.00 C ATOM 372 O GLN A 24 -2.858 12.025 10.782 1.00 0.00 O ATOM 373 CB GLN A 24 -3.068 8.826 10.895 1.00 0.00 C ATOM 374 CG GLN A 24 -3.777 7.971 11.933 1.00 0.00 C ATOM 375 CD GLN A 24 -4.532 6.811 11.316 1.00 0.00 C ATOM 376 OE1 GLN A 24 -5.665 6.965 10.857 1.00 0.00 O ATOM 377 NE2 GLN A 24 -3.908 5.639 11.302 1.00 0.00 N ATOM 0 H GLN A 24 -4.440 8.493 8.876 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.674 10.243 11.065 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.723 8.186 10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.183 9.273 11.347 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.045 7.586 12.643 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.472 8.593 12.497 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.970 5.556 11.693 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.367 4.822 10.900 1.00 0.00 H new ATOM 386 N GLN A 25 -2.608 11.175 8.714 1.00 0.00 N ATOM 387 CA GLN A 25 -1.771 12.273 8.245 1.00 0.00 C ATOM 388 C GLN A 25 -2.513 13.602 8.342 1.00 0.00 C ATOM 389 O GLN A 25 -3.685 13.699 7.979 1.00 0.00 O ATOM 390 CB GLN A 25 -1.332 12.026 6.800 1.00 0.00 C ATOM 391 CG GLN A 25 -0.297 10.922 6.660 1.00 0.00 C ATOM 392 CD GLN A 25 1.087 11.364 7.095 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.770 12.098 6.381 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.510 10.915 8.271 1.00 0.00 N ATOM 0 H GLN A 25 -2.787 10.453 8.016 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.888 12.322 8.883 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.207 11.771 6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.924 12.950 6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.604 10.063 7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.260 10.593 5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.911 10.308 8.831 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.434 11.177 8.615 1.00 0.00 H new ATOM 403 N VAL A 26 -1.822 14.624 8.835 1.00 0.00 N ATOM 404 CA VAL A 26 -2.414 15.949 8.980 1.00 0.00 C ATOM 405 C VAL A 26 -1.798 16.937 7.995 1.00 0.00 C ATOM 406 O VAL A 26 -2.467 17.858 7.525 1.00 0.00 O ATOM 407 CB VAL A 26 -2.236 16.490 10.413 1.00 0.00 C ATOM 408 CG1 VAL A 26 -2.989 17.800 10.588 1.00 0.00 C ATOM 409 CG2 VAL A 26 -2.698 15.462 11.435 1.00 0.00 C ATOM 0 H VAL A 26 -0.851 14.560 9.141 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.478 15.845 8.768 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.176 16.682 10.578 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.851 18.166 11.606 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.606 18.537 9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.051 17.637 10.402 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.564 15.862 12.440 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.752 15.235 11.272 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.110 14.551 11.326 1.00 0.00 H new ATOM 419 N PHE A 27 -0.521 16.740 7.687 1.00 0.00 N ATOM 420 CA PHE A 27 0.185 17.615 6.758 1.00 0.00 C ATOM 421 C PHE A 27 0.211 19.049 7.275 1.00 0.00 C ATOM 422 O PHE A 27 -0.656 19.856 6.941 1.00 0.00 O ATOM 423 CB PHE A 27 -0.477 17.571 5.379 1.00 0.00 C ATOM 424 CG PHE A 27 -0.796 16.179 4.910 1.00 0.00 C ATOM 425 CD1 PHE A 27 -2.009 15.589 5.225 1.00 0.00 C ATOM 426 CD2 PHE A 27 0.118 15.463 4.154 1.00 0.00 C ATOM 427 CE1 PHE A 27 -2.306 14.310 4.795 1.00 0.00 C ATOM 428 CE2 PHE A 27 -0.173 14.183 3.720 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.386 13.606 4.042 1.00 0.00 C ATOM 0 H PHE A 27 0.047 15.982 8.067 1.00 0.00 H new ATOM 0 HA PHE A 27 1.212 17.259 6.672 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.396 18.156 5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.182 18.048 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.731 16.135 5.814 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.068 15.910 3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.256 13.861 5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.547 13.635 3.130 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.615 12.606 3.706 1.00 0.00 H new ATOM 439 N ASN A 28 1.211 19.360 8.094 1.00 0.00 N ATOM 440 CA ASN A 28 1.349 20.698 8.658 1.00 0.00 C ATOM 441 C ASN A 28 2.754 20.917 9.212 1.00 0.00 C ATOM 442 O ASN A 28 3.349 21.977 9.019 1.00 0.00 O ATOM 443 CB ASN A 28 0.313 20.917 9.762 1.00 0.00 C ATOM 444 CG ASN A 28 0.324 19.805 10.792 1.00 0.00 C ATOM 445 OD1 ASN A 28 0.276 18.624 10.449 1.00 0.00 O ATOM 446 ND2 ASN A 28 0.386 20.180 12.066 1.00 0.00 N ATOM 0 H ASN A 28 1.937 18.704 8.382 1.00 0.00 H new ATOM 0 HA ASN A 28 1.179 21.420 7.859 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.508 21.869 10.256 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.679 20.987 9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.395 19.477 12.805 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.424 21.171 12.305 1.00 0.00 H new ATOM 453 N ASP A 29 3.278 19.910 9.906 1.00 0.00 N ATOM 454 CA ASP A 29 4.611 19.997 10.491 1.00 0.00 C ATOM 455 C ASP A 29 5.485 18.846 10.066 1.00 0.00 C ATOM 456 O ASP A 29 6.172 18.242 10.891 1.00 0.00 O ATOM 457 CB ASP A 29 4.524 20.063 12.016 1.00 0.00 C ATOM 458 CG ASP A 29 4.274 21.471 12.520 1.00 0.00 C ATOM 459 OD1 ASP A 29 3.253 22.072 12.122 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.099 21.974 13.312 1.00 0.00 O ATOM 0 H ASP A 29 2.800 19.025 10.076 1.00 0.00 H new ATOM 0 HA ASP A 29 5.070 20.914 10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.723 19.409 12.360 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.451 19.685 12.447 1.00 0.00 H new ATOM 465 N PRO A 30 5.524 18.542 8.761 1.00 0.00 N ATOM 466 CA PRO A 30 6.380 17.487 8.288 1.00 0.00 C ATOM 467 C PRO A 30 7.801 18.001 8.152 1.00 0.00 C ATOM 468 O PRO A 30 8.075 18.944 7.410 1.00 0.00 O ATOM 469 CB PRO A 30 5.789 17.158 6.920 1.00 0.00 C ATOM 470 CG PRO A 30 5.227 18.453 6.437 1.00 0.00 C ATOM 471 CD PRO A 30 4.795 19.212 7.667 1.00 0.00 C ATOM 0 HA PRO A 30 6.426 16.623 8.951 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.550 16.777 6.240 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.016 16.393 6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.973 19.015 5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.383 18.285 5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.056 20.268 7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.716 19.159 7.813 1.00 0.00 H new ATOM 479 N LEU A 31 8.691 17.367 8.878 1.00 0.00 N ATOM 480 CA LEU A 31 10.103 17.732 8.868 1.00 0.00 C ATOM 481 C LEU A 31 10.863 16.939 7.809 1.00 0.00 C ATOM 482 O LEU A 31 11.852 17.417 7.253 1.00 0.00 O ATOM 483 CB LEU A 31 10.722 17.489 10.247 1.00 0.00 C ATOM 484 CG LEU A 31 10.642 18.675 11.210 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.528 19.814 10.730 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.202 19.142 11.357 1.00 0.00 C ATOM 0 H LEU A 31 8.466 16.585 9.493 1.00 0.00 H new ATOM 0 HA LEU A 31 10.178 18.792 8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.226 16.634 10.706 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.769 17.217 10.116 1.00 0.00 H new ATOM 0 HG LEU A 31 11.001 18.352 12.187 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.458 20.648 11.428 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.562 19.473 10.675 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.200 20.138 9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.162 19.986 12.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.818 19.448 10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.593 18.326 11.747 1.00 0.00 H new ATOM 498 N VAL A 32 10.396 15.725 7.535 1.00 0.00 N ATOM 499 CA VAL A 32 11.034 14.868 6.543 1.00 0.00 C ATOM 500 C VAL A 32 10.861 15.432 5.137 1.00 0.00 C ATOM 501 O VAL A 32 9.764 15.832 4.748 1.00 0.00 O ATOM 502 CB VAL A 32 10.460 13.439 6.584 1.00 0.00 C ATOM 503 CG1 VAL A 32 11.270 12.512 5.689 1.00 0.00 C ATOM 504 CG2 VAL A 32 10.427 12.918 8.012 1.00 0.00 C ATOM 0 H VAL A 32 9.579 15.313 7.986 1.00 0.00 H new ATOM 0 HA VAL A 32 12.095 14.833 6.790 1.00 0.00 H new ATOM 0 HB VAL A 32 9.437 13.467 6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.850 11.507 5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.237 12.877 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.304 12.487 6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.019 11.907 8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.439 12.904 8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.800 13.568 8.622 1.00 0.00 H new ATOM 514 N SER A 33 11.952 15.460 4.378 1.00 0.00 N ATOM 515 CA SER A 33 11.922 15.975 3.014 1.00 0.00 C ATOM 516 C SER A 33 11.078 15.080 2.114 1.00 0.00 C ATOM 517 O SER A 33 10.711 13.968 2.493 1.00 0.00 O ATOM 518 CB SER A 33 13.342 16.087 2.458 1.00 0.00 C ATOM 519 OG SER A 33 13.409 17.052 1.421 1.00 0.00 O ATOM 0 H SER A 33 12.868 15.132 4.685 1.00 0.00 H new ATOM 0 HA SER A 33 11.470 16.967 3.035 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.029 16.361 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.665 15.118 2.078 1.00 0.00 H new ATOM 0 HG SER A 33 14.327 17.106 1.083 1.00 0.00 H new ATOM 525 N GLU A 34 10.773 15.572 0.917 1.00 0.00 N ATOM 526 CA GLU A 34 9.973 14.816 -0.040 1.00 0.00 C ATOM 527 C GLU A 34 10.747 13.612 -0.565 1.00 0.00 C ATOM 528 O GLU A 34 10.163 12.576 -0.882 1.00 0.00 O ATOM 529 CB GLU A 34 9.549 15.713 -1.204 1.00 0.00 C ATOM 530 CG GLU A 34 10.716 16.368 -1.924 1.00 0.00 C ATOM 531 CD GLU A 34 10.975 17.784 -1.447 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.114 18.657 -1.683 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.040 18.020 -0.838 1.00 0.00 O ATOM 0 H GLU A 34 11.068 16.491 0.587 1.00 0.00 H new ATOM 0 HA GLU A 34 9.082 14.456 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.978 15.121 -1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.882 16.490 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.614 15.768 -1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.516 16.380 -2.995 1.00 0.00 H new ATOM 540 N GLU A 35 12.066 13.756 -0.655 1.00 0.00 N ATOM 541 CA GLU A 35 12.920 12.679 -1.143 1.00 0.00 C ATOM 542 C GLU A 35 12.955 11.521 -0.151 1.00 0.00 C ATOM 543 O GLU A 35 12.756 10.365 -0.524 1.00 0.00 O ATOM 544 CB GLU A 35 14.338 13.198 -1.390 1.00 0.00 C ATOM 545 CG GLU A 35 15.250 12.180 -2.056 1.00 0.00 C ATOM 546 CD GLU A 35 16.439 12.825 -2.742 1.00 0.00 C ATOM 547 OE1 GLU A 35 17.320 13.354 -2.031 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.490 12.802 -3.989 1.00 0.00 O ATOM 0 H GLU A 35 12.566 14.607 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 35 12.504 12.316 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.286 14.090 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.777 13.499 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.607 11.472 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.678 11.609 -2.788 1.00 0.00 H new ATOM 555 N ASP A 36 13.211 11.840 1.114 1.00 0.00 N ATOM 556 CA ASP A 36 13.272 10.826 2.161 1.00 0.00 C ATOM 557 C ASP A 36 11.919 10.159 2.357 1.00 0.00 C ATOM 558 O ASP A 36 11.834 9.010 2.794 1.00 0.00 O ATOM 559 CB ASP A 36 13.749 11.443 3.476 1.00 0.00 C ATOM 560 CG ASP A 36 14.150 10.395 4.496 1.00 0.00 C ATOM 561 OD1 ASP A 36 13.345 9.474 4.747 1.00 0.00 O ATOM 562 OD2 ASP A 36 15.270 10.496 5.041 1.00 0.00 O ATOM 0 H ASP A 36 13.379 12.792 1.439 1.00 0.00 H new ATOM 0 HA ASP A 36 13.986 10.064 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.598 12.098 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.956 12.065 3.891 1.00 0.00 H new ATOM 567 N MET A 37 10.867 10.888 2.028 1.00 0.00 N ATOM 568 CA MET A 37 9.507 10.382 2.162 1.00 0.00 C ATOM 569 C MET A 37 9.219 9.316 1.110 1.00 0.00 C ATOM 570 O MET A 37 8.444 8.389 1.347 1.00 0.00 O ATOM 571 CB MET A 37 8.500 11.525 2.034 1.00 0.00 C ATOM 572 CG MET A 37 7.093 11.149 2.469 1.00 0.00 C ATOM 573 SD MET A 37 6.222 12.516 3.261 1.00 0.00 S ATOM 574 CE MET A 37 6.464 13.816 2.053 1.00 0.00 C ATOM 0 H MET A 37 10.927 11.839 1.664 1.00 0.00 H new ATOM 0 HA MET A 37 9.409 9.930 3.149 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.843 12.369 2.633 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.473 11.860 0.997 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.525 10.816 1.600 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.143 10.307 3.159 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.558 14.774 2.564 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.372 13.618 1.483 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.610 13.848 1.376 1.00 0.00 H new ATOM 584 N VAL A 38 9.846 9.453 -0.053 1.00 0.00 N ATOM 585 CA VAL A 38 9.658 8.502 -1.141 1.00 0.00 C ATOM 586 C VAL A 38 10.081 7.098 -0.724 1.00 0.00 C ATOM 587 O VAL A 38 9.336 6.135 -0.904 1.00 0.00 O ATOM 588 CB VAL A 38 10.454 8.915 -2.393 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.092 8.028 -3.574 1.00 0.00 C ATOM 590 CG2 VAL A 38 10.210 10.380 -2.722 1.00 0.00 C ATOM 0 H VAL A 38 10.490 10.215 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 38 8.594 8.502 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 38 11.516 8.786 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.665 8.335 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.324 6.990 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.027 8.122 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.781 10.654 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.148 10.539 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.526 10.999 -1.882 1.00 0.00 H new ATOM 600 N THR A 39 11.283 6.990 -0.165 1.00 0.00 N ATOM 601 CA THR A 39 11.805 5.702 0.278 1.00 0.00 C ATOM 602 C THR A 39 10.902 5.085 1.342 1.00 0.00 C ATOM 603 O THR A 39 10.773 3.865 1.429 1.00 0.00 O ATOM 604 CB THR A 39 13.223 5.866 0.828 1.00 0.00 C ATOM 605 OG1 THR A 39 13.732 4.623 1.278 1.00 0.00 O ATOM 606 CG2 THR A 39 13.308 6.842 1.981 1.00 0.00 C ATOM 0 H THR A 39 11.912 7.777 -0.008 1.00 0.00 H new ATOM 0 HA THR A 39 11.831 5.033 -0.582 1.00 0.00 H new ATOM 0 HB THR A 39 13.812 6.257 -0.002 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.640 4.748 1.625 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.340 6.911 2.324 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.968 7.824 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.677 6.495 2.799 1.00 0.00 H new ATOM 614 N VAL A 40 10.277 5.938 2.148 1.00 0.00 N ATOM 615 CA VAL A 40 9.386 5.478 3.204 1.00 0.00 C ATOM 616 C VAL A 40 8.174 4.757 2.623 1.00 0.00 C ATOM 617 O VAL A 40 7.780 3.696 3.106 1.00 0.00 O ATOM 618 CB VAL A 40 8.902 6.648 4.083 1.00 0.00 C ATOM 619 CG1 VAL A 40 8.096 6.133 5.265 1.00 0.00 C ATOM 620 CG2 VAL A 40 10.081 7.485 4.556 1.00 0.00 C ATOM 0 H VAL A 40 10.372 6.952 2.089 1.00 0.00 H new ATOM 0 HA VAL A 40 9.958 4.785 3.821 1.00 0.00 H new ATOM 0 HB VAL A 40 8.253 7.284 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.764 6.974 5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.228 5.583 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.718 5.472 5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.719 8.306 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.759 6.862 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.611 7.888 3.693 1.00 0.00 H new ATOM 630 N VAL A 41 7.589 5.341 1.582 1.00 0.00 N ATOM 631 CA VAL A 41 6.422 4.753 0.935 1.00 0.00 C ATOM 632 C VAL A 41 6.743 3.373 0.373 1.00 0.00 C ATOM 633 O VAL A 41 5.916 2.462 0.426 1.00 0.00 O ATOM 634 CB VAL A 41 5.901 5.650 -0.205 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.579 5.121 -0.738 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.757 7.087 0.271 1.00 0.00 C ATOM 0 H VAL A 41 7.903 6.219 1.169 1.00 0.00 H new ATOM 0 HA VAL A 41 5.649 4.661 1.698 1.00 0.00 H new ATOM 0 HB VAL A 41 6.626 5.633 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.226 5.767 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.719 4.110 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.842 5.107 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.388 7.706 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.053 7.126 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.727 7.460 0.600 1.00 0.00 H new ATOM 646 N GLU A 42 7.949 3.224 -0.165 1.00 0.00 N ATOM 647 CA GLU A 42 8.380 1.953 -0.736 1.00 0.00 C ATOM 648 C GLU A 42 8.573 0.904 0.355 1.00 0.00 C ATOM 649 O GLU A 42 8.084 -0.219 0.242 1.00 0.00 O ATOM 650 CB GLU A 42 9.681 2.137 -1.519 1.00 0.00 C ATOM 651 CG GLU A 42 9.566 3.127 -2.666 1.00 0.00 C ATOM 652 CD GLU A 42 9.333 2.447 -4.001 1.00 0.00 C ATOM 653 OE1 GLU A 42 10.161 1.593 -4.384 1.00 0.00 O ATOM 654 OE2 GLU A 42 8.325 2.770 -4.664 1.00 0.00 O ATOM 0 H GLU A 42 8.645 3.968 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 42 7.602 1.606 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.461 2.474 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.997 1.171 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.746 3.816 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.477 3.723 -2.720 1.00 0.00 H new ATOM 661 N ASP A 43 9.289 1.280 1.410 1.00 0.00 N ATOM 662 CA ASP A 43 9.546 0.372 2.521 1.00 0.00 C ATOM 663 C ASP A 43 8.255 0.042 3.263 1.00 0.00 C ATOM 664 O ASP A 43 8.099 -1.054 3.801 1.00 0.00 O ATOM 665 CB ASP A 43 10.559 0.988 3.487 1.00 0.00 C ATOM 666 CG ASP A 43 11.489 -0.048 4.089 1.00 0.00 C ATOM 667 OD1 ASP A 43 12.047 -0.861 3.323 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.658 -0.046 5.326 1.00 0.00 O ATOM 0 H ASP A 43 9.701 2.207 1.518 1.00 0.00 H new ATOM 0 HA ASP A 43 9.957 -0.552 2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.148 1.739 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.027 1.503 4.287 1.00 0.00 H new ATOM 673 N TRP A 44 7.331 0.998 3.289 1.00 0.00 N ATOM 674 CA TRP A 44 6.053 0.809 3.964 1.00 0.00 C ATOM 675 C TRP A 44 5.286 -0.361 3.357 1.00 0.00 C ATOM 676 O TRP A 44 4.783 -1.226 4.075 1.00 0.00 O ATOM 677 CB TRP A 44 5.213 2.086 3.878 1.00 0.00 C ATOM 678 CG TRP A 44 5.341 2.967 5.083 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.368 2.981 5.984 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.409 3.962 5.520 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.130 3.924 6.954 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.935 4.540 6.691 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.181 4.421 5.035 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.275 5.554 7.383 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.528 5.428 5.722 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.076 5.983 6.884 1.00 0.00 C ATOM 0 H TRP A 44 7.444 1.912 2.850 1.00 0.00 H new ATOM 0 HA TRP A 44 6.253 0.584 5.012 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.511 2.648 2.993 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.166 1.814 3.746 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.239 2.344 5.940 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.743 4.132 7.742 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.750 3.997 4.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.695 5.985 8.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.579 5.792 5.356 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.540 6.767 7.398 1.00 0.00 H new ATOM 697 N MET A 45 5.201 -0.382 2.032 1.00 0.00 N ATOM 698 CA MET A 45 4.497 -1.447 1.327 1.00 0.00 C ATOM 699 C MET A 45 5.251 -2.768 1.441 1.00 0.00 C ATOM 700 O MET A 45 4.645 -3.832 1.562 1.00 0.00 O ATOM 701 CB MET A 45 4.311 -1.077 -0.146 1.00 0.00 C ATOM 702 CG MET A 45 5.604 -0.681 -0.841 1.00 0.00 C ATOM 703 SD MET A 45 5.431 -0.598 -2.634 1.00 0.00 S ATOM 704 CE MET A 45 3.880 0.284 -2.784 1.00 0.00 C ATOM 0 H MET A 45 5.611 0.327 1.424 1.00 0.00 H new ATOM 0 HA MET A 45 3.518 -1.568 1.790 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.870 -1.924 -0.672 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.602 -0.252 -0.218 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.931 0.289 -0.466 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.383 -1.400 -0.588 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.740 0.601 -3.818 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.059 -0.371 -2.491 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.895 1.160 -2.135 1.00 0.00 H new ATOM 714 N ASN A 46 6.577 -2.691 1.401 1.00 0.00 N ATOM 715 CA ASN A 46 7.416 -3.880 1.500 1.00 0.00 C ATOM 716 C ASN A 46 7.158 -4.621 2.808 1.00 0.00 C ATOM 717 O ASN A 46 7.229 -5.848 2.863 1.00 0.00 O ATOM 718 CB ASN A 46 8.893 -3.497 1.400 1.00 0.00 C ATOM 719 CG ASN A 46 9.703 -4.516 0.621 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.432 -5.715 0.676 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.705 -4.041 -0.111 1.00 0.00 N ATOM 0 H ASN A 46 7.094 -1.817 1.301 1.00 0.00 H new ATOM 0 HA ASN A 46 7.163 -4.543 0.672 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.981 -2.523 0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.308 -3.397 2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.285 -4.679 -0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.894 -3.039 -0.127 1.00 0.00 H new ATOM 728 N PHE A 47 6.859 -3.866 3.861 1.00 0.00 N ATOM 729 CA PHE A 47 6.590 -4.451 5.169 1.00 0.00 C ATOM 730 C PHE A 47 5.227 -5.135 5.190 1.00 0.00 C ATOM 731 O PHE A 47 5.075 -6.219 5.751 1.00 0.00 O ATOM 732 CB PHE A 47 6.650 -3.375 6.255 1.00 0.00 C ATOM 733 CG PHE A 47 7.268 -3.850 7.538 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.623 -4.129 7.608 1.00 0.00 C ATOM 735 CD2 PHE A 47 6.493 -4.019 8.674 1.00 0.00 C ATOM 736 CE1 PHE A 47 9.195 -4.567 8.787 1.00 0.00 C ATOM 737 CE2 PHE A 47 7.059 -4.457 9.857 1.00 0.00 C ATOM 738 CZ PHE A 47 8.412 -4.731 9.913 1.00 0.00 C ATOM 0 H PHE A 47 6.797 -2.848 3.833 1.00 0.00 H new ATOM 0 HA PHE A 47 7.356 -5.201 5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.219 -2.524 5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.640 -3.019 6.458 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.240 -4.003 6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.435 -3.806 8.635 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.253 -4.781 8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.444 -4.585 10.736 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.857 -5.073 10.836 1.00 0.00 H new ATOM 748 N TYR A 48 4.239 -4.494 4.574 1.00 0.00 N ATOM 749 CA TYR A 48 2.888 -5.041 4.522 1.00 0.00 C ATOM 750 C TYR A 48 2.843 -6.298 3.658 1.00 0.00 C ATOM 751 O TYR A 48 2.216 -7.292 4.024 1.00 0.00 O ATOM 752 CB TYR A 48 1.914 -3.997 3.973 1.00 0.00 C ATOM 753 CG TYR A 48 2.004 -2.658 4.671 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.135 -2.580 6.052 1.00 0.00 C ATOM 755 CD2 TYR A 48 1.956 -1.473 3.949 1.00 0.00 C ATOM 756 CE1 TYR A 48 2.218 -1.358 6.693 1.00 0.00 C ATOM 757 CE2 TYR A 48 2.039 -0.247 4.582 1.00 0.00 C ATOM 758 CZ TYR A 48 2.170 -0.196 5.954 1.00 0.00 C ATOM 759 OH TYR A 48 2.252 1.022 6.589 1.00 0.00 O ATOM 0 H TYR A 48 4.349 -3.595 4.104 1.00 0.00 H new ATOM 0 HA TYR A 48 2.591 -5.308 5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.107 -3.856 2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.897 -4.378 4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.173 -3.489 6.634 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.852 -1.510 2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.320 -1.314 7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.001 0.666 4.006 1.00 0.00 H new ATOM 0 HH TYR A 48 2.204 1.741 5.925 1.00 0.00 H new ATOM 769 N ILE A 49 3.513 -6.247 2.512 1.00 0.00 N ATOM 770 CA ILE A 49 3.550 -7.381 1.596 1.00 0.00 C ATOM 771 C ILE A 49 4.205 -8.592 2.252 1.00 0.00 C ATOM 772 O ILE A 49 3.819 -9.733 1.997 1.00 0.00 O ATOM 773 CB ILE A 49 4.310 -7.035 0.301 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.743 -5.759 -0.325 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.236 -8.192 -0.686 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.794 -4.882 -0.968 1.00 0.00 C ATOM 0 H ILE A 49 4.038 -5.432 2.195 1.00 0.00 H new ATOM 0 HA ILE A 49 2.517 -7.621 1.345 1.00 0.00 H new ATOM 0 HB ILE A 49 5.357 -6.862 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.000 -6.031 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.225 -5.186 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.778 -7.930 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.683 -9.080 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.194 -8.395 -0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.320 -3.996 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.524 -4.579 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.296 -5.437 -1.760 1.00 0.00 H new ATOM 788 N ASN A 50 5.197 -8.336 3.098 1.00 0.00 N ATOM 789 CA ASN A 50 5.906 -9.406 3.790 1.00 0.00 C ATOM 790 C ASN A 50 5.004 -10.078 4.819 1.00 0.00 C ATOM 791 O ASN A 50 5.124 -11.277 5.076 1.00 0.00 O ATOM 792 CB ASN A 50 7.159 -8.857 4.474 1.00 0.00 C ATOM 793 CG ASN A 50 8.319 -9.833 4.427 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.763 -10.337 5.458 1.00 0.00 O ATOM 795 ND2 ASN A 50 8.817 -10.103 3.226 1.00 0.00 N ATOM 0 H ASN A 50 5.528 -7.397 3.321 1.00 0.00 H new ATOM 0 HA ASN A 50 6.201 -10.150 3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.453 -7.924 3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.928 -8.621 5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.599 -10.751 3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.418 -9.662 2.397 1.00 0.00 H new ATOM 802 N TYR A 51 4.101 -9.299 5.405 1.00 0.00 N ATOM 803 CA TYR A 51 3.177 -9.819 6.407 1.00 0.00 C ATOM 804 C TYR A 51 2.080 -10.655 5.756 1.00 0.00 C ATOM 805 O TYR A 51 1.817 -11.784 6.170 1.00 0.00 O ATOM 806 CB TYR A 51 2.556 -8.670 7.204 1.00 0.00 C ATOM 807 CG TYR A 51 2.460 -8.944 8.688 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.603 -9.091 9.463 1.00 0.00 C ATOM 809 CD2 TYR A 51 1.225 -9.058 9.314 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.519 -9.341 10.819 1.00 0.00 C ATOM 811 CE2 TYR A 51 1.132 -9.307 10.669 1.00 0.00 C ATOM 812 CZ TYR A 51 2.281 -9.449 11.418 1.00 0.00 C ATOM 813 OH TYR A 51 2.193 -9.699 12.768 1.00 0.00 O ATOM 0 H TYR A 51 3.989 -8.305 5.204 1.00 0.00 H new ATOM 0 HA TYR A 51 3.740 -10.459 7.086 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.148 -7.769 7.047 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.558 -8.467 6.815 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.574 -9.008 8.998 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.322 -8.950 8.731 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.418 -9.451 11.407 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.164 -9.390 11.140 1.00 0.00 H new ATOM 0 HH TYR A 51 1.250 -9.744 13.032 1.00 0.00 H new ATOM 823 N TYR A 52 1.441 -10.093 4.735 1.00 0.00 N ATOM 824 CA TYR A 52 0.371 -10.787 4.027 1.00 0.00 C ATOM 825 C TYR A 52 0.878 -12.087 3.413 1.00 0.00 C ATOM 826 O TYR A 52 0.243 -13.133 3.542 1.00 0.00 O ATOM 827 CB TYR A 52 -0.215 -9.888 2.937 1.00 0.00 C ATOM 828 CG TYR A 52 -1.238 -8.899 3.451 1.00 0.00 C ATOM 829 CD1 TYR A 52 -2.370 -9.331 4.130 1.00 0.00 C ATOM 830 CD2 TYR A 52 -1.070 -7.533 3.257 1.00 0.00 C ATOM 831 CE1 TYR A 52 -3.306 -8.431 4.602 1.00 0.00 C ATOM 832 CE2 TYR A 52 -2.002 -6.627 3.726 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.118 -7.080 4.396 1.00 0.00 C ATOM 834 OH TYR A 52 -4.048 -6.181 4.864 1.00 0.00 O ATOM 0 H TYR A 52 1.645 -9.159 4.379 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.410 -11.028 4.748 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.595 -9.342 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.678 -10.513 2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.521 -10.388 4.292 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.197 -7.174 2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.180 -8.783 5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.857 -5.569 3.568 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.621 -5.569 5.499 1.00 0.00 H new ATOM 844 N ARG A 53 2.027 -12.014 2.748 1.00 0.00 N ATOM 845 CA ARG A 53 2.620 -13.186 2.115 1.00 0.00 C ATOM 846 C ARG A 53 2.829 -14.310 3.127 1.00 0.00 C ATOM 847 O ARG A 53 2.905 -15.482 2.759 1.00 0.00 O ATOM 848 CB ARG A 53 3.955 -12.819 1.463 1.00 0.00 C ATOM 849 CG ARG A 53 4.317 -13.700 0.279 1.00 0.00 C ATOM 850 CD ARG A 53 5.474 -13.117 -0.516 1.00 0.00 C ATOM 851 NE ARG A 53 5.976 -14.054 -1.519 1.00 0.00 N ATOM 852 CZ ARG A 53 7.109 -13.878 -2.196 1.00 0.00 C ATOM 853 NH1 ARG A 53 7.859 -12.805 -1.981 1.00 0.00 N ATOM 854 NH2 ARG A 53 7.493 -14.779 -3.090 1.00 0.00 N ATOM 0 H ARG A 53 2.566 -11.155 2.634 1.00 0.00 H new ATOM 0 HA ARG A 53 1.931 -13.538 1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.916 -11.781 1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.745 -12.887 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.583 -14.696 0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.449 -13.814 -0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.150 -12.199 -1.007 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.282 -12.847 0.164 1.00 0.00 H new ATOM 0 HE ARG A 53 5.426 -14.891 -1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.569 -12.109 -1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.726 -12.676 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.921 -15.606 -3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.361 -14.645 -3.609 1.00 0.00 H new ATOM 868 N GLN A 54 2.918 -13.947 4.403 1.00 0.00 N ATOM 869 CA GLN A 54 3.115 -14.928 5.464 1.00 0.00 C ATOM 870 C GLN A 54 1.779 -15.463 5.980 1.00 0.00 C ATOM 871 O GLN A 54 1.738 -16.203 6.963 1.00 0.00 O ATOM 872 CB GLN A 54 3.908 -14.309 6.617 1.00 0.00 C ATOM 873 CG GLN A 54 5.413 -14.361 6.417 1.00 0.00 C ATOM 874 CD GLN A 54 6.168 -14.537 7.719 1.00 0.00 C ATOM 875 OE1 GLN A 54 6.666 -15.622 8.019 1.00 0.00 O ATOM 876 NE2 GLN A 54 6.257 -13.468 8.502 1.00 0.00 N ATOM 0 H GLN A 54 2.857 -12.982 4.727 1.00 0.00 H new ATOM 0 HA GLN A 54 3.678 -15.763 5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.602 -13.270 6.741 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.655 -14.828 7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.658 -15.183 5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.743 -13.443 5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.829 -12.588 8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.753 -13.527 9.391 1.00 0.00 H new ATOM 885 N GLN A 55 0.688 -15.088 5.314 1.00 0.00 N ATOM 886 CA GLN A 55 -0.641 -15.535 5.714 1.00 0.00 C ATOM 887 C GLN A 55 -1.542 -15.713 4.495 1.00 0.00 C ATOM 888 O GLN A 55 -2.707 -15.314 4.507 1.00 0.00 O ATOM 889 CB GLN A 55 -1.267 -14.534 6.687 1.00 0.00 C ATOM 890 CG GLN A 55 -2.357 -15.134 7.560 1.00 0.00 C ATOM 891 CD GLN A 55 -1.895 -15.378 8.984 1.00 0.00 C ATOM 892 OE1 GLN A 55 -1.904 -16.510 9.466 1.00 0.00 O ATOM 893 NE2 GLN A 55 -1.489 -14.312 9.664 1.00 0.00 N ATOM 0 H GLN A 55 0.700 -14.477 4.497 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.540 -16.499 6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.485 -14.124 7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.684 -13.701 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.218 -14.466 7.571 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.690 -16.076 7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.499 -13.392 9.224 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.167 -14.413 10.627 1.00 0.00 H new ATOM 902 N VAL A 56 -0.994 -16.315 3.444 1.00 0.00 N ATOM 903 CA VAL A 56 -1.748 -16.546 2.215 1.00 0.00 C ATOM 904 C VAL A 56 -2.303 -17.965 2.174 1.00 0.00 C ATOM 905 O VAL A 56 -2.015 -18.778 3.052 1.00 0.00 O ATOM 906 CB VAL A 56 -0.884 -16.310 0.954 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.691 -15.594 -0.119 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.377 -15.523 1.288 1.00 0.00 C ATOM 0 H VAL A 56 -0.032 -16.652 3.418 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.569 -15.829 2.216 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.579 -17.283 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.067 -15.436 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.555 -16.201 -0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.030 -14.631 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.963 -15.373 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.102 -14.555 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.970 -16.077 2.016 1.00 0.00 H new ATOM 918 N THR A 57 -3.093 -18.257 1.146 1.00 0.00 N ATOM 919 CA THR A 57 -3.684 -19.573 0.979 1.00 0.00 C ATOM 920 C THR A 57 -4.254 -19.721 -0.423 1.00 0.00 C ATOM 921 O THR A 57 -4.772 -18.768 -1.005 1.00 0.00 O ATOM 922 CB THR A 57 -4.786 -19.816 2.008 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.569 -18.651 2.193 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.263 -20.240 3.363 1.00 0.00 C ATOM 0 H THR A 57 -3.338 -17.592 0.413 1.00 0.00 H new ATOM 0 HA THR A 57 -2.898 -20.313 1.131 1.00 0.00 H new ATOM 0 HB THR A 57 -5.383 -20.631 1.599 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.270 -18.829 2.855 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.100 -20.395 4.044 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.701 -21.168 3.262 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.611 -19.462 3.761 1.00 0.00 H new ATOM 932 N GLY A 58 -4.147 -20.922 -0.954 1.00 0.00 N ATOM 933 CA GLY A 58 -4.645 -21.202 -2.285 1.00 0.00 C ATOM 934 C GLY A 58 -3.685 -22.052 -3.086 1.00 0.00 C ATOM 935 O GLY A 58 -3.219 -23.091 -2.620 1.00 0.00 O ATOM 0 H GLY A 58 -3.719 -21.720 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.605 -21.712 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.822 -20.263 -2.810 1.00 0.00 H new ATOM 939 N GLU A 59 -3.389 -21.602 -4.294 1.00 0.00 N ATOM 940 CA GLU A 59 -2.474 -22.312 -5.178 1.00 0.00 C ATOM 941 C GLU A 59 -1.219 -21.482 -5.430 1.00 0.00 C ATOM 942 O GLU A 59 -1.210 -20.272 -5.205 1.00 0.00 O ATOM 943 CB GLU A 59 -3.161 -22.640 -6.507 1.00 0.00 C ATOM 944 CG GLU A 59 -4.592 -23.126 -6.350 1.00 0.00 C ATOM 945 CD GLU A 59 -4.947 -24.223 -7.335 1.00 0.00 C ATOM 946 OE1 GLU A 59 -5.311 -23.894 -8.484 1.00 0.00 O ATOM 947 OE2 GLU A 59 -4.861 -25.410 -6.958 1.00 0.00 O ATOM 0 H GLU A 59 -3.771 -20.743 -4.689 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.184 -23.244 -4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.155 -21.751 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.582 -23.403 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.737 -23.494 -5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.274 -22.286 -6.486 1.00 0.00 H new ATOM 954 N PRO A 60 -0.135 -22.123 -5.902 1.00 0.00 N ATOM 955 CA PRO A 60 1.129 -21.434 -6.181 1.00 0.00 C ATOM 956 C PRO A 60 0.933 -20.179 -7.027 1.00 0.00 C ATOM 957 O PRO A 60 1.401 -19.098 -6.668 1.00 0.00 O ATOM 958 CB PRO A 60 1.937 -22.479 -6.951 1.00 0.00 C ATOM 959 CG PRO A 60 1.406 -23.787 -6.479 1.00 0.00 C ATOM 960 CD PRO A 60 -0.056 -23.566 -6.198 1.00 0.00 C ATOM 0 HA PRO A 60 1.614 -21.086 -5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.809 -22.365 -8.027 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.003 -22.386 -6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.545 -24.560 -7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.929 -24.120 -5.583 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.674 -23.835 -7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.398 -24.168 -5.356 1.00 0.00 H new ATOM 968 N GLN A 61 0.241 -20.331 -8.151 1.00 0.00 N ATOM 969 CA GLN A 61 -0.013 -19.212 -9.049 1.00 0.00 C ATOM 970 C GLN A 61 -1.091 -18.288 -8.486 1.00 0.00 C ATOM 971 O GLN A 61 -1.063 -17.079 -8.714 1.00 0.00 O ATOM 972 CB GLN A 61 -0.434 -19.722 -10.428 1.00 0.00 C ATOM 973 CG GLN A 61 -1.671 -20.604 -10.398 1.00 0.00 C ATOM 974 CD GLN A 61 -1.546 -21.814 -11.304 1.00 0.00 C ATOM 975 OE1 GLN A 61 -0.489 -22.440 -11.382 1.00 0.00 O ATOM 976 NE2 GLN A 61 -2.629 -22.149 -11.997 1.00 0.00 N ATOM 0 H GLN A 61 -0.154 -21.219 -8.461 1.00 0.00 H new ATOM 0 HA GLN A 61 0.912 -18.643 -9.144 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.622 -18.869 -11.080 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.391 -20.283 -10.867 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.851 -20.937 -9.376 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.539 -20.017 -10.699 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.485 -21.602 -11.902 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.605 -22.953 -12.624 1.00 0.00 H new ATOM 985 N GLU A 62 -2.037 -18.863 -7.752 1.00 0.00 N ATOM 986 CA GLU A 62 -3.120 -18.084 -7.161 1.00 0.00 C ATOM 987 C GLU A 62 -2.576 -17.094 -6.139 1.00 0.00 C ATOM 988 O GLU A 62 -2.873 -15.901 -6.195 1.00 0.00 O ATOM 989 CB GLU A 62 -4.146 -19.010 -6.506 1.00 0.00 C ATOM 990 CG GLU A 62 -5.445 -19.128 -7.287 1.00 0.00 C ATOM 991 CD GLU A 62 -6.666 -19.149 -6.389 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.953 -20.212 -5.800 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.336 -18.100 -6.275 1.00 0.00 O ATOM 0 H GLU A 62 -2.077 -19.862 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.611 -17.523 -7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.708 -20.002 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.366 -18.643 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.524 -18.292 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.423 -20.039 -7.886 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.773 -17.595 -5.206 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.183 -16.754 -4.177 1.00 0.00 C ATOM 1002 C ARG A 63 -0.309 -15.674 -4.805 1.00 0.00 C ATOM 1003 O ARG A 63 -0.254 -14.545 -4.320 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.359 -17.608 -3.213 1.00 0.00 C ATOM 1005 CG ARG A 63 0.855 -18.256 -3.858 1.00 0.00 C ATOM 1006 CD ARG A 63 1.748 -18.919 -2.821 1.00 0.00 C ATOM 1007 NE ARG A 63 1.003 -19.840 -1.965 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.549 -20.527 -0.965 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.841 -20.400 -0.690 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.799 -21.344 -0.236 1.00 0.00 N ATOM 0 H ARG A 63 -1.517 -18.580 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.985 -16.267 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.029 -16.986 -2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.997 -18.387 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.529 -18.998 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.425 -17.503 -4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.549 -19.460 -3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.219 -18.153 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 63 0.007 -19.963 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.422 -19.773 -1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.253 -20.930 0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.195 -21.445 -0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.216 -21.871 0.531 1.00 0.00 H new ATOM 1024 N ASP A 64 0.371 -16.032 -5.891 1.00 0.00 N ATOM 1025 CA ASP A 64 1.240 -15.095 -6.591 1.00 0.00 C ATOM 1026 C ASP A 64 0.418 -14.042 -7.327 1.00 0.00 C ATOM 1027 O ASP A 64 0.817 -12.880 -7.419 1.00 0.00 O ATOM 1028 CB ASP A 64 2.136 -15.842 -7.579 1.00 0.00 C ATOM 1029 CG ASP A 64 3.518 -15.228 -7.686 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.628 -13.989 -7.564 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.490 -15.985 -7.891 1.00 0.00 O ATOM 0 H ASP A 64 0.336 -16.964 -6.304 1.00 0.00 H new ATOM 0 HA ASP A 64 1.865 -14.593 -5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.227 -16.883 -7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.665 -15.844 -8.562 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.729 -14.456 -7.854 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.607 -13.551 -8.587 1.00 0.00 C ATOM 1038 C LYS A 65 -2.317 -12.588 -7.639 1.00 0.00 C ATOM 1039 O LYS A 65 -2.548 -11.428 -7.977 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.638 -14.347 -9.390 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.895 -13.782 -10.777 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.184 -12.978 -10.823 1.00 0.00 C ATOM 1043 CE LYS A 65 -3.917 -11.489 -10.678 1.00 0.00 C ATOM 1044 NZ LYS A 65 -3.903 -10.797 -11.997 1.00 0.00 N ATOM 0 H LYS A 65 -1.073 -15.414 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.992 -12.967 -9.272 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.296 -15.378 -9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.577 -14.372 -8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.059 -13.148 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.948 -14.597 -11.499 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.698 -13.166 -11.765 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.849 -13.309 -10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.682 -11.043 -10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.960 -11.339 -10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.718 -9.783 -11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.156 -11.205 -12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.825 -10.919 -12.463 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.661 -13.077 -6.451 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.344 -12.260 -5.458 1.00 0.00 C ATOM 1060 C ALA A 66 -2.391 -11.250 -4.828 1.00 0.00 C ATOM 1061 O ALA A 66 -2.765 -10.109 -4.564 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.967 -13.142 -4.387 1.00 0.00 C ATOM 0 H ALA A 66 -2.477 -14.035 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.136 -11.706 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.474 -12.518 -3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.687 -13.819 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.187 -13.722 -3.894 1.00 0.00 H new ATOM 1068 N LEU A 67 -1.158 -11.683 -4.587 1.00 0.00 N ATOM 1069 CA LEU A 67 -0.150 -10.819 -3.985 1.00 0.00 C ATOM 1070 C LEU A 67 0.388 -9.813 -4.998 1.00 0.00 C ATOM 1071 O LEU A 67 0.770 -8.699 -4.638 1.00 0.00 O ATOM 1072 CB LEU A 67 0.992 -11.660 -3.419 1.00 0.00 C ATOM 1073 CG LEU A 67 1.286 -11.435 -1.935 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.551 -9.964 -1.659 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.130 -11.942 -1.085 1.00 0.00 C ATOM 0 H LEU A 67 -0.833 -12.626 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.620 -10.263 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.758 -12.714 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.896 -11.448 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 67 2.182 -11.997 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.758 -9.824 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.410 -9.633 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.675 -9.378 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.353 -11.775 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.781 -11.406 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.011 -13.008 -1.262 1.00 0.00 H new ATOM 1087 N GLN A 68 0.415 -10.214 -6.264 1.00 0.00 N ATOM 1088 CA GLN A 68 0.907 -9.349 -7.330 1.00 0.00 C ATOM 1089 C GLN A 68 0.022 -8.115 -7.485 1.00 0.00 C ATOM 1090 O GLN A 68 0.504 -7.034 -7.826 1.00 0.00 O ATOM 1091 CB GLN A 68 0.968 -10.117 -8.651 1.00 0.00 C ATOM 1092 CG GLN A 68 2.266 -10.882 -8.850 1.00 0.00 C ATOM 1093 CD GLN A 68 2.151 -11.958 -9.912 1.00 0.00 C ATOM 1094 OE1 GLN A 68 1.091 -12.557 -10.093 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.246 -12.210 -10.621 1.00 0.00 N ATOM 0 H GLN A 68 0.102 -11.133 -6.577 1.00 0.00 H new ATOM 0 HA GLN A 68 1.911 -9.021 -7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.133 -10.817 -8.694 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.839 -9.416 -9.476 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.056 -10.184 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.563 -11.339 -7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.104 -11.689 -10.437 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.229 -12.924 -11.349 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.272 -8.284 -7.237 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.221 -7.183 -7.352 1.00 0.00 C ATOM 1106 C GLU A 69 -2.079 -6.217 -6.186 1.00 0.00 C ATOM 1107 O GLU A 69 -2.324 -5.019 -6.327 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.655 -7.712 -7.430 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.698 -6.620 -7.598 1.00 0.00 C ATOM 1110 CD GLU A 69 -5.043 -6.363 -9.051 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -5.098 -7.338 -9.830 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -5.259 -5.186 -9.411 1.00 0.00 O ATOM 0 H GLU A 69 -1.688 -9.172 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.998 -6.644 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.732 -8.408 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.875 -8.277 -6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.602 -6.900 -7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.330 -5.698 -7.147 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.668 -6.740 -5.040 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.477 -5.916 -3.855 1.00 0.00 C ATOM 1121 C LEU A 70 -0.591 -4.719 -4.183 1.00 0.00 C ATOM 1122 O LEU A 70 -0.707 -3.657 -3.572 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.851 -6.741 -2.728 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.425 -6.473 -1.335 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.255 -7.694 -0.444 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.759 -5.258 -0.709 1.00 0.00 C ATOM 0 H LEU A 70 -1.461 -7.730 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.450 -5.553 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.977 -7.799 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.221 -6.545 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.491 -6.267 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.669 -7.485 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.779 -8.542 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.195 -7.931 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.180 -5.082 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.313 -5.435 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.932 -4.384 -1.337 1.00 0.00 H new ATOM 1138 N ARG A 71 0.297 -4.904 -5.157 1.00 0.00 N ATOM 1139 CA ARG A 71 1.209 -3.844 -5.573 1.00 0.00 C ATOM 1140 C ARG A 71 0.454 -2.716 -6.271 1.00 0.00 C ATOM 1141 O ARG A 71 0.730 -1.538 -6.045 1.00 0.00 O ATOM 1142 CB ARG A 71 2.285 -4.405 -6.503 1.00 0.00 C ATOM 1143 CG ARG A 71 3.650 -3.765 -6.309 1.00 0.00 C ATOM 1144 CD ARG A 71 4.773 -4.750 -6.593 1.00 0.00 C ATOM 1145 NE ARG A 71 6.026 -4.350 -5.956 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.765 -3.319 -6.357 1.00 0.00 C ATOM 1147 NH1 ARG A 71 6.381 -2.580 -7.391 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.890 -3.024 -5.721 1.00 0.00 N ATOM 0 H ARG A 71 0.404 -5.778 -5.672 1.00 0.00 H new ATOM 0 HA ARG A 71 1.685 -3.438 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.370 -5.479 -6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.970 -4.263 -7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.746 -2.903 -6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.738 -3.396 -5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.486 -5.740 -6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.923 -4.829 -7.670 1.00 0.00 H new ATOM 0 HE ARG A 71 6.353 -4.893 -5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.515 -2.801 -7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.952 -1.791 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.189 -3.587 -4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.457 -2.234 -6.028 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.498 -3.086 -7.121 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.291 -2.105 -7.854 1.00 0.00 C ATOM 1164 C GLN A 72 -2.061 -1.200 -6.897 1.00 0.00 C ATOM 1165 O GLN A 72 -2.116 0.015 -7.087 1.00 0.00 O ATOM 1166 CB GLN A 72 -2.264 -2.811 -8.801 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.596 -3.394 -10.035 1.00 0.00 C ATOM 1168 CD GLN A 72 -2.415 -3.187 -11.294 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -3.496 -3.755 -11.447 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -1.902 -2.367 -12.205 1.00 0.00 N ATOM 0 H GLN A 72 -0.739 -4.057 -7.319 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.609 -1.487 -8.438 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.769 -3.611 -8.259 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.032 -2.103 -9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.616 -2.935 -10.164 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.431 -4.461 -9.885 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.002 -1.917 -12.037 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.408 -2.188 -13.072 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.652 -1.800 -5.870 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.419 -1.047 -4.884 1.00 0.00 C ATOM 1181 C GLU A 73 -2.536 -0.027 -4.171 1.00 0.00 C ATOM 1182 O GLU A 73 -2.869 1.156 -4.103 1.00 0.00 O ATOM 1183 CB GLU A 73 -4.048 -1.996 -3.863 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.923 -3.069 -4.488 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.275 -2.538 -4.926 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.672 -1.458 -4.443 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -6.935 -3.204 -5.750 1.00 0.00 O ATOM 0 H GLU A 73 -2.615 -2.805 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.211 -0.512 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.255 -2.475 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.646 -1.416 -3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.408 -3.496 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.069 -3.877 -3.771 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.410 -0.495 -3.642 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.479 0.377 -2.935 1.00 0.00 C ATOM 1196 C LEU A 74 0.200 1.347 -3.897 1.00 0.00 C ATOM 1197 O LEU A 74 0.515 2.479 -3.532 1.00 0.00 O ATOM 1198 CB LEU A 74 0.575 -0.457 -2.202 1.00 0.00 C ATOM 1199 CG LEU A 74 0.016 -1.542 -1.282 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.136 -2.436 -0.771 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.743 -0.918 -0.122 1.00 0.00 C ATOM 0 H LEU A 74 -1.120 -1.472 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.046 0.957 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.223 -0.927 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.200 0.213 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.679 -2.156 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.720 -3.203 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.636 -2.911 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.855 -1.836 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.134 -1.705 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.071 -0.280 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.569 -0.321 -0.507 1.00 0.00 H new ATOM 1213 N ASN A 75 0.425 0.894 -5.126 1.00 0.00 N ATOM 1214 CA ASN A 75 1.069 1.722 -6.139 1.00 0.00 C ATOM 1215 C ASN A 75 0.264 2.992 -6.398 1.00 0.00 C ATOM 1216 O ASN A 75 0.808 4.096 -6.386 1.00 0.00 O ATOM 1217 CB ASN A 75 1.233 0.936 -7.442 1.00 0.00 C ATOM 1218 CG ASN A 75 1.972 1.725 -8.505 1.00 0.00 C ATOM 1219 OD1 ASN A 75 1.376 2.527 -9.224 1.00 0.00 O ATOM 1220 ND2 ASN A 75 3.277 1.500 -8.611 1.00 0.00 N ATOM 0 H ASN A 75 0.171 -0.041 -5.444 1.00 0.00 H new ATOM 0 HA ASN A 75 2.053 2.006 -5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.773 0.011 -7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.250 0.655 -7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.826 2.001 -9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.730 0.826 -7.994 1.00 0.00 H new ATOM 1227 N THR A 76 -1.034 2.827 -6.631 1.00 0.00 N ATOM 1228 CA THR A 76 -1.913 3.957 -6.892 1.00 0.00 C ATOM 1229 C THR A 76 -2.209 4.734 -5.619 1.00 0.00 C ATOM 1230 O THR A 76 -2.315 5.957 -5.646 1.00 0.00 O ATOM 1231 CB THR A 76 -3.222 3.497 -7.506 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.613 2.239 -6.986 1.00 0.00 O ATOM 1233 CG2 THR A 76 -3.176 3.384 -9.015 1.00 0.00 C ATOM 0 H THR A 76 -1.499 1.919 -6.644 1.00 0.00 H new ATOM 0 HA THR A 76 -1.393 4.609 -7.594 1.00 0.00 H new ATOM 0 HB THR A 76 -3.945 4.269 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.125 1.527 -7.450 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.146 3.050 -9.385 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.939 4.357 -9.446 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.411 2.663 -9.303 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.357 4.022 -4.506 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.653 4.666 -3.231 1.00 0.00 C ATOM 1243 C LEU A 77 -1.674 5.809 -2.993 1.00 0.00 C ATOM 1244 O LEU A 77 -2.005 6.808 -2.353 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.569 3.655 -2.087 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.876 2.925 -1.771 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.600 1.651 -0.988 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.819 3.835 -0.999 1.00 0.00 C ATOM 0 H LEU A 77 -2.278 3.006 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.667 5.063 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.807 2.915 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.233 4.173 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.355 2.651 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.541 1.145 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.961 0.993 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.099 1.900 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.744 3.301 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.348 4.139 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.042 4.719 -1.597 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.475 5.659 -3.540 1.00 0.00 N ATOM 1261 CA ALA A 78 0.555 6.676 -3.427 1.00 0.00 C ATOM 1262 C ALA A 78 0.217 7.896 -4.285 1.00 0.00 C ATOM 1263 O ALA A 78 0.634 9.013 -3.975 1.00 0.00 O ATOM 1264 CB ALA A 78 1.907 6.105 -3.828 1.00 0.00 C ATOM 0 H ALA A 78 -0.193 4.835 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 78 0.603 6.997 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.670 6.879 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.158 5.270 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.863 5.756 -4.860 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.526 7.680 -5.377 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.892 8.773 -6.279 1.00 0.00 C ATOM 1272 C ASN A 79 -1.487 9.964 -5.524 1.00 0.00 C ATOM 1273 O ASN A 79 -1.003 11.089 -5.653 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.884 8.280 -7.334 1.00 0.00 C ATOM 1275 CG ASN A 79 -1.615 8.875 -8.702 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -2.424 9.640 -9.229 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -0.475 8.526 -9.286 1.00 0.00 N ATOM 0 H ASN A 79 -0.882 6.765 -5.654 1.00 0.00 H new ATOM 0 HA ASN A 79 0.022 9.111 -6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.833 7.193 -7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.897 8.534 -7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.240 8.895 -10.208 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.166 7.889 -8.813 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.545 9.742 -4.722 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.187 10.816 -3.954 1.00 0.00 C ATOM 1286 C PRO A 80 -2.273 11.376 -2.870 1.00 0.00 C ATOM 1287 O PRO A 80 -2.262 12.581 -2.615 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.406 10.134 -3.327 1.00 0.00 C ATOM 1289 CG PRO A 80 -4.059 8.687 -3.293 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.201 8.441 -4.502 1.00 0.00 C ATOM 0 HA PRO A 80 -3.441 11.669 -4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.602 10.517 -2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.305 10.311 -3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.525 8.435 -2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.957 8.069 -3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.474 7.649 -4.325 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.797 8.140 -5.364 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.508 10.496 -2.234 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.590 10.903 -1.177 1.00 0.00 C ATOM 1300 C PHE A 81 0.502 11.815 -1.726 1.00 0.00 C ATOM 1301 O PHE A 81 0.756 12.890 -1.184 1.00 0.00 O ATOM 1302 CB PHE A 81 0.039 9.673 -0.518 1.00 0.00 C ATOM 1303 CG PHE A 81 0.827 9.995 0.720 1.00 0.00 C ATOM 1304 CD1 PHE A 81 0.276 10.773 1.725 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.118 9.516 0.879 1.00 0.00 C ATOM 1306 CE1 PHE A 81 0.999 11.069 2.866 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.845 9.809 2.016 1.00 0.00 C ATOM 1308 CZ PHE A 81 2.285 10.587 3.012 1.00 0.00 C ATOM 0 H PHE A 81 -1.505 9.495 -2.432 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.158 11.457 -0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.749 8.964 -0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.693 9.179 -1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.729 11.153 1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.560 8.907 0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.558 11.677 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.850 9.431 2.127 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.852 10.817 3.902 1.00 0.00 H new ATOM 1318 N LEU A 82 1.145 11.377 -2.803 1.00 0.00 N ATOM 1319 CA LEU A 82 2.210 12.155 -3.426 1.00 0.00 C ATOM 1320 C LEU A 82 1.671 13.467 -3.984 1.00 0.00 C ATOM 1321 O LEU A 82 2.323 14.508 -3.892 1.00 0.00 O ATOM 1322 CB LEU A 82 2.875 11.347 -4.541 1.00 0.00 C ATOM 1323 CG LEU A 82 4.002 10.418 -4.085 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.133 9.235 -5.030 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.316 11.180 -3.995 1.00 0.00 C ATOM 0 H LEU A 82 0.948 10.488 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 82 2.952 12.385 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.112 10.750 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.273 12.040 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 82 3.756 10.038 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.939 8.585 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.198 8.675 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.356 9.595 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.107 10.504 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.568 11.588 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.216 11.994 -3.277 1.00 0.00 H new ATOM 1337 N ALA A 83 0.476 13.411 -4.564 1.00 0.00 N ATOM 1338 CA ALA A 83 -0.151 14.596 -5.138 1.00 0.00 C ATOM 1339 C ALA A 83 -0.492 15.615 -4.057 1.00 0.00 C ATOM 1340 O ALA A 83 -0.389 16.822 -4.273 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.402 14.207 -5.912 1.00 0.00 C ATOM 0 H ALA A 83 -0.077 12.558 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 83 0.560 15.057 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.861 15.101 -6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.134 13.521 -6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.109 13.720 -5.240 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.899 15.121 -2.892 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.256 15.989 -1.776 1.00 0.00 C ATOM 1349 C LYS A 84 -0.023 16.689 -1.216 1.00 0.00 C ATOM 1350 O LYS A 84 0.007 17.914 -1.097 1.00 0.00 O ATOM 1351 CB LYS A 84 -1.944 15.181 -0.673 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.059 15.937 0.029 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.204 15.013 0.411 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.205 15.711 1.318 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.555 15.088 1.240 1.00 0.00 N ATOM 0 H LYS A 84 -0.990 14.124 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.946 16.748 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.352 14.267 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.199 14.881 0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.666 16.420 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.430 16.728 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.709 14.666 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.809 14.131 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.848 15.676 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.274 16.763 1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.208 15.593 1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.907 15.144 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.494 14.091 1.529 1.00 0.00 H new ATOM 1369 N TYR A 85 0.993 15.904 -0.873 1.00 0.00 N ATOM 1370 CA TYR A 85 2.230 16.449 -0.326 1.00 0.00 C ATOM 1371 C TYR A 85 2.877 17.423 -1.307 1.00 0.00 C ATOM 1372 O TYR A 85 3.229 18.544 -0.940 1.00 0.00 O ATOM 1373 CB TYR A 85 3.205 15.317 0.009 1.00 0.00 C ATOM 1374 CG TYR A 85 3.388 15.094 1.493 1.00 0.00 C ATOM 1375 CD1 TYR A 85 4.093 16.006 2.270 1.00 0.00 C ATOM 1376 CD2 TYR A 85 2.855 13.974 2.118 1.00 0.00 C ATOM 1377 CE1 TYR A 85 4.262 15.805 3.627 1.00 0.00 C ATOM 1378 CE2 TYR A 85 3.019 13.767 3.474 1.00 0.00 C ATOM 1379 CZ TYR A 85 3.723 14.685 4.224 1.00 0.00 C ATOM 1380 OH TYR A 85 3.889 14.482 5.575 1.00 0.00 O ATOM 0 H TYR A 85 0.984 14.888 -0.964 1.00 0.00 H new ATOM 0 HA TYR A 85 1.987 16.992 0.587 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.847 14.394 -0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.174 15.539 -0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.515 16.885 1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.303 13.253 1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.814 16.522 4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.598 12.891 3.944 1.00 0.00 H new ATOM 0 HH TYR A 85 3.279 13.777 5.877 1.00 0.00 H new ATOM 1390 N ARG A 86 3.029 16.988 -2.552 1.00 0.00 N ATOM 1391 CA ARG A 86 3.632 17.821 -3.586 1.00 0.00 C ATOM 1392 C ARG A 86 2.832 19.104 -3.786 1.00 0.00 C ATOM 1393 O ARG A 86 3.392 20.155 -4.096 1.00 0.00 O ATOM 1394 CB ARG A 86 3.722 17.050 -4.905 1.00 0.00 C ATOM 1395 CG ARG A 86 4.889 16.079 -4.964 1.00 0.00 C ATOM 1396 CD ARG A 86 5.302 15.793 -6.397 1.00 0.00 C ATOM 1397 NE ARG A 86 6.574 15.076 -6.469 1.00 0.00 N ATOM 1398 CZ ARG A 86 6.991 14.410 -7.543 1.00 0.00 C ATOM 1399 NH1 ARG A 86 6.241 14.366 -8.637 1.00 0.00 N ATOM 1400 NH2 ARG A 86 8.160 13.787 -7.524 1.00 0.00 N ATOM 0 H ARG A 86 2.743 16.062 -2.871 1.00 0.00 H new ATOM 0 HA ARG A 86 4.638 18.088 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.794 16.499 -5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.810 17.761 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.736 16.492 -4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.614 15.147 -4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.526 15.205 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.384 16.732 -6.945 1.00 0.00 H new ATOM 0 HE ARG A 86 7.178 15.087 -5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.340 14.844 -8.657 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.565 13.854 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.741 13.818 -6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.479 13.277 -8.347 1.00 0.00 H new ATOM 1414 N ASP A 87 1.518 19.010 -3.607 1.00 0.00 N ATOM 1415 CA ASP A 87 0.640 20.163 -3.768 1.00 0.00 C ATOM 1416 C ASP A 87 0.700 21.068 -2.543 1.00 0.00 C ATOM 1417 O ASP A 87 0.665 22.293 -2.660 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.800 19.705 -4.007 1.00 0.00 C ATOM 1419 CG ASP A 87 -1.716 20.851 -4.388 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -1.590 21.937 -3.784 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -2.558 20.662 -5.290 1.00 0.00 O ATOM 0 H ASP A 87 1.038 18.147 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 87 0.982 20.730 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.813 18.955 -4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.180 19.224 -3.105 1.00 0.00 H new ATOM 1426 N PHE A 88 0.792 20.457 -1.366 1.00 0.00 N ATOM 1427 CA PHE A 88 0.858 21.207 -0.117 1.00 0.00 C ATOM 1428 C PHE A 88 2.215 21.884 0.040 1.00 0.00 C ATOM 1429 O PHE A 88 2.297 23.100 0.215 1.00 0.00 O ATOM 1430 CB PHE A 88 0.594 20.282 1.072 1.00 0.00 C ATOM 1431 CG PHE A 88 -0.153 20.946 2.193 1.00 0.00 C ATOM 1432 CD1 PHE A 88 0.257 22.174 2.687 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -1.267 20.341 2.754 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -0.429 22.787 3.718 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -1.957 20.949 3.786 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.538 22.173 4.268 1.00 0.00 C ATOM 0 H PHE A 88 0.823 19.444 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 88 0.089 21.979 -0.144 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.026 19.417 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.546 19.909 1.451 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.123 22.658 2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.600 19.384 2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.099 23.744 4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.823 20.467 4.215 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.076 22.650 5.074 1.00 0.00 H new ATOM 1446 N LEU A 89 3.279 21.089 -0.023 1.00 0.00 N ATOM 1447 CA LEU A 89 4.633 21.612 0.114 1.00 0.00 C ATOM 1448 C LEU A 89 5.449 21.343 -1.147 1.00 0.00 C ATOM 1449 O LEU A 89 4.953 20.751 -2.105 1.00 0.00 O ATOM 1450 CB LEU A 89 5.326 20.986 1.326 1.00 0.00 C ATOM 1451 CG LEU A 89 5.070 19.489 1.516 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.298 18.808 2.098 1.00 0.00 C ATOM 1453 CD2 LEU A 89 3.859 19.265 2.410 1.00 0.00 C ATOM 0 H LEU A 89 3.229 20.081 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 89 4.566 22.690 0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.400 21.147 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.000 21.512 2.224 1.00 0.00 H new ATOM 0 HG LEU A 89 4.863 19.048 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.098 17.744 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.142 18.939 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.536 19.251 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.691 18.195 2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.037 19.720 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.980 19.719 1.952 1.00 0.00 H new ATOM 1465 N LYS A 90 6.704 21.781 -1.139 1.00 0.00 N ATOM 1466 CA LYS A 90 7.588 21.588 -2.282 1.00 0.00 C ATOM 1467 C LYS A 90 7.793 20.103 -2.567 1.00 0.00 C ATOM 1468 O LYS A 90 8.341 19.777 -3.640 1.00 0.00 O ATOM 1469 CB LYS A 90 8.939 22.260 -2.028 1.00 0.00 C ATOM 1470 CG LYS A 90 9.560 22.868 -3.275 1.00 0.00 C ATOM 1471 CD LYS A 90 11.076 22.766 -3.249 1.00 0.00 C ATOM 1472 CE LYS A 90 11.572 21.594 -4.080 1.00 0.00 C ATOM 1473 NZ LYS A 90 11.791 21.975 -5.503 1.00 0.00 N ATOM 1474 OXT LYS A 90 7.403 19.278 -1.713 1.00 1.00 O ATOM 0 H LYS A 90 7.131 22.272 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 90 7.119 22.046 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.812 23.041 -1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.628 21.526 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.175 22.360 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.266 23.915 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.510 23.691 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.416 22.653 -2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.504 21.218 -3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.848 20.781 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.129 21.148 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.896 22.310 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.501 22.733 -5.554 1.00 0.00 H new