USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= 0.717 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.815 K(o=1.5,f=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.42 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -162:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 139:sc= 0.319 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.136 (180deg=-0.306) USER MOD Single : A 1 MET N :NH3+ -160:sc= 2.44 (180deg=2.3) USER MOD Single : A 2 GLN : amide:sc=-0.00246 X(o=-0.0025,f=-0.15) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc=-0.00996 (180deg=-0.195) USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.809 USER MOD Single : A 20 SER OG : rot 180:sc= -0.162 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.01) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -0.0155 X(o=-0.015,f=-0.015) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.18 K(o=1.2,f=-0.26) USER MOD Single : A 41 GLN : amide:sc= -0.0752 K(o=-0.075,f=-1.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.5) USER MOD Single : A 55 THR OG1 : rot -58:sc= 0.418 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= -0.13 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -160:sc= 0.0482 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.00186 X(o=0.0019,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.088 -7.483 -5.036 1.00 9.67 N ATOM 2 CA MET A 1 11.091 -7.806 -3.574 1.00 10.38 C ATOM 3 C MET A 1 9.703 -8.001 -2.970 1.00 9.62 C ATOM 4 O MET A 1 8.767 -7.414 -3.553 1.00 9.62 O ATOM 5 CB MET A 1 11.858 -6.712 -2.811 1.00 13.77 C ATOM 6 CG MET A 1 11.404 -5.245 -2.868 1.00 16.29 C ATOM 7 SD MET A 1 12.320 -4.151 -1.725 1.00 17.17 S ATOM 8 CE MET A 1 10.841 -3.321 -1.138 1.00 16.11 C ATOM 0 H1 MET A 1 12.022 -7.696 -5.441 1.00 9.67 H new ATOM 0 H2 MET A 1 10.364 -8.055 -5.516 1.00 9.67 H new ATOM 0 H3 MET A 1 10.876 -6.474 -5.168 1.00 9.67 H new ATOM 0 HA MET A 1 11.589 -8.770 -3.472 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.869 -7.003 -1.761 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.890 -6.741 -3.161 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.524 -4.875 -3.886 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.341 -5.193 -2.634 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.102 -2.328 -0.772 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.126 -3.230 -1.956 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.395 -3.900 -0.329 1.00 16.11 H new ATOM 20 N GLN A 2 9.508 -8.707 -1.896 1.00 9.27 N ATOM 21 CA GLN A 2 8.194 -8.796 -1.234 1.00 9.07 C ATOM 22 C GLN A 2 7.882 -7.643 -0.331 1.00 8.72 C ATOM 23 O GLN A 2 8.741 -6.997 0.263 1.00 8.22 O ATOM 24 CB GLN A 2 8.086 -10.144 -0.608 1.00 14.46 C ATOM 25 CG GLN A 2 7.874 -11.322 -1.630 1.00 17.01 C ATOM 26 CD GLN A 2 7.919 -12.710 -1.026 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.315 -12.976 0.130 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.579 -13.738 -1.890 1.00 19.49 N ATOM 0 H GLN A 2 10.241 -9.246 -1.436 1.00 9.27 H new ATOM 0 HA GLN A 2 7.403 -8.700 -1.978 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.991 -10.337 -0.033 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.255 -10.138 0.098 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.911 -11.187 -2.122 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.639 -11.254 -2.404 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.256 -13.525 -2.834 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.652 -14.708 -1.583 1.00 19.49 H new ATOM 37 N ILE A 3 6.627 -7.308 -0.113 1.00 5.87 N ATOM 38 CA ILE A 3 6.100 -6.541 1.008 1.00 5.07 C ATOM 39 C ILE A 3 4.763 -7.178 1.381 1.00 4.01 C ATOM 40 O ILE A 3 4.170 -7.830 0.530 1.00 4.61 O ATOM 41 CB ILE A 3 5.855 -5.032 0.743 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.913 -4.876 -0.485 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.218 -4.337 0.676 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.466 -3.432 -0.762 1.00 10.83 C ATOM 0 H ILE A 3 5.889 -7.584 -0.761 1.00 5.87 H new ATOM 0 HA ILE A 3 6.857 -6.574 1.792 1.00 5.07 H new ATOM 0 HB ILE A 3 5.319 -4.525 1.545 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.421 -5.262 -1.369 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.029 -5.494 -0.330 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.075 -3.273 0.490 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.743 -4.473 1.622 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.808 -4.770 -0.132 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.812 -3.414 -1.634 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.927 -3.046 0.103 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.341 -2.810 -0.952 1.00 10.83 H new ATOM 56 N PHE A 4 4.307 -7.094 2.631 1.00 4.55 N ATOM 57 CA PHE A 4 3.068 -7.650 3.088 1.00 4.68 C ATOM 58 C PHE A 4 2.083 -6.506 3.265 1.00 5.30 C ATOM 59 O PHE A 4 2.488 -5.492 3.796 1.00 5.58 O ATOM 60 CB PHE A 4 3.185 -8.278 4.519 1.00 4.83 C ATOM 61 CG PHE A 4 4.204 -9.341 4.490 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.000 -10.489 3.687 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.408 -9.193 5.200 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.877 -11.579 3.702 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.267 -10.325 5.286 1.00 10.61 C ATOM 66 CZ PHE A 4 6.042 -11.496 4.503 1.00 8.90 C ATOM 0 H PHE A 4 4.823 -6.615 3.369 1.00 4.55 H new ATOM 0 HA PHE A 4 2.770 -8.406 2.362 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.459 -7.513 5.245 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.224 -8.685 4.832 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.136 -10.525 3.040 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.672 -8.254 5.664 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.670 -12.463 3.117 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.110 -10.297 5.961 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.752 -12.310 4.521 1.00 8.90 H new ATOM 76 N VAL A 5 0.851 -6.713 2.845 1.00 4.44 N ATOM 77 CA VAL A 5 -0.180 -5.732 3.089 1.00 3.87 C ATOM 78 C VAL A 5 -1.247 -6.322 3.909 1.00 4.93 C ATOM 79 O VAL A 5 -1.696 -7.429 3.593 1.00 6.84 O ATOM 80 CB VAL A 5 -0.803 -5.115 1.818 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.954 -4.137 1.990 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.384 -4.485 1.043 1.00 9.13 C ATOM 0 H VAL A 5 0.544 -7.543 2.339 1.00 4.44 H new ATOM 0 HA VAL A 5 0.319 -4.915 3.610 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.310 -5.916 1.280 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.285 -3.789 1.012 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.781 -4.634 2.498 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.622 -3.286 2.584 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.017 -4.026 0.125 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.861 -3.726 1.663 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.110 -5.260 0.796 1.00 9.13 H new ATOM 92 N LYS A 6 -1.602 -5.622 5.006 1.00 6.04 N ATOM 93 CA LYS A 6 -2.309 -6.293 6.115 1.00 6.12 C ATOM 94 C LYS A 6 -3.530 -5.460 6.522 1.00 6.57 C ATOM 95 O LYS A 6 -3.387 -4.246 6.734 1.00 5.76 O ATOM 96 CB LYS A 6 -1.335 -6.428 7.300 1.00 7.45 C ATOM 97 CG LYS A 6 -1.644 -7.680 8.150 1.00 11.12 C ATOM 98 CD LYS A 6 -0.774 -7.724 9.360 1.00 14.54 C ATOM 99 CE LYS A 6 -0.928 -8.900 10.202 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.232 -10.070 9.630 1.00 20.55 N ATOM 0 H LYS A 6 -1.419 -4.628 5.146 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.651 -7.281 5.807 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.312 -6.484 6.927 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.397 -5.538 7.926 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.692 -7.672 8.450 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.490 -8.578 7.552 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.266 -7.662 9.040 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.976 -6.839 9.963 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.534 -8.691 11.196 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.987 -9.128 10.321 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.599 -10.940 10.066 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.394 -10.103 8.603 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.788 -9.993 9.817 1.00 20.55 H new ATOM 114 N THR A 7 -4.714 -6.133 6.615 1.00 7.41 N ATOM 115 CA THR A 7 -6.008 -5.512 6.850 1.00 7.48 C ATOM 116 C THR A 7 -6.473 -5.553 8.241 1.00 8.75 C ATOM 117 O THR A 7 -5.961 -6.350 9.059 1.00 8.58 O ATOM 118 CB THR A 7 -7.064 -6.069 5.945 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.323 -7.427 6.033 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.564 -5.819 4.513 1.00 9.17 C ATOM 0 H THR A 7 -4.772 -7.147 6.523 1.00 7.41 H new ATOM 0 HA THR A 7 -5.840 -4.460 6.618 1.00 7.48 H new ATOM 0 HB THR A 7 -7.993 -5.578 6.236 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.029 -7.667 5.397 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.293 -6.204 3.800 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.433 -4.748 4.355 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.611 -6.327 4.367 1.00 9.17 H new ATOM 128 N LEU A 8 -7.492 -4.688 8.662 1.00 9.84 N ATOM 129 CA LEU A 8 -8.058 -4.761 10.052 1.00 14.15 C ATOM 130 C LEU A 8 -9.103 -5.852 10.226 1.00 17.37 C ATOM 131 O LEU A 8 -9.523 -5.993 11.366 1.00 17.01 O ATOM 132 CB LEU A 8 -8.638 -3.402 10.571 1.00 16.63 C ATOM 133 CG LEU A 8 -7.762 -2.205 10.292 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.517 -0.999 10.843 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.400 -2.134 10.992 1.00 18.59 C ATOM 0 H LEU A 8 -7.910 -3.968 8.072 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.191 -5.014 10.662 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.613 -3.238 10.113 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.799 -3.476 11.646 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.563 -2.252 9.221 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.933 -0.095 10.672 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.479 -0.911 10.338 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.679 -1.129 11.913 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.885 -1.220 10.695 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.546 -2.133 12.072 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.799 -2.998 10.707 1.00 18.59 H new ATOM 147 N THR A 9 -9.473 -6.558 9.178 1.00 18.33 N ATOM 148 CA THR A 9 -10.389 -7.699 9.305 1.00 19.24 C ATOM 149 C THR A 9 -9.546 -8.943 9.257 1.00 19.48 C ATOM 150 O THR A 9 -10.142 -10.002 9.262 1.00 23.14 O ATOM 151 CB THR A 9 -11.489 -7.763 8.207 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.864 -7.984 6.929 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.124 -6.299 8.275 1.00 19.70 C ATOM 0 H THR A 9 -9.160 -6.371 8.225 1.00 18.33 H new ATOM 0 HA THR A 9 -10.933 -7.595 10.244 1.00 19.24 H new ATOM 0 HB THR A 9 -12.223 -8.557 8.344 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.551 -8.027 6.232 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.923 -6.214 7.539 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.529 -6.124 9.272 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.354 -5.558 8.061 1.00 19.70 H new ATOM 161 N GLY A 10 -8.210 -8.803 9.276 1.00 19.43 N ATOM 162 CA GLY A 10 -7.224 -9.824 9.548 1.00 18.74 C ATOM 163 C GLY A 10 -6.538 -10.626 8.426 1.00 17.62 C ATOM 164 O GLY A 10 -6.151 -11.741 8.631 1.00 19.74 O ATOM 0 H GLY A 10 -7.774 -7.901 9.086 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.430 -9.347 10.122 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.700 -10.551 10.206 1.00 18.74 H new ATOM 168 N LYS A 11 -6.482 -10.085 7.201 1.00 13.56 N ATOM 169 CA LYS A 11 -5.865 -10.795 6.072 1.00 11.91 C ATOM 170 C LYS A 11 -4.482 -10.281 5.851 1.00 10.18 C ATOM 171 O LYS A 11 -4.248 -9.092 6.082 1.00 9.10 O ATOM 172 CB LYS A 11 -6.695 -10.628 4.751 1.00 13.43 C ATOM 173 CG LYS A 11 -6.217 -11.590 3.625 1.00 16.69 C ATOM 174 CD LYS A 11 -7.127 -11.419 2.368 1.00 17.92 C ATOM 175 CE LYS A 11 -6.738 -12.252 1.145 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.601 -13.691 1.582 1.00 21.93 N ATOM 0 H LYS A 11 -6.854 -9.164 6.967 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.840 -11.855 6.324 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.748 -10.814 4.961 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.616 -9.598 4.403 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.180 -11.377 3.367 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.253 -12.622 3.975 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.150 -11.673 2.646 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.126 -10.367 2.083 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.495 -12.161 0.366 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.800 -11.892 0.722 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.488 -14.299 0.746 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -5.768 -13.789 2.197 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.453 -13.978 2.105 1.00 21.93 H new ATOM 190 N THR A 12 -3.481 -11.093 5.435 1.00 9.63 N ATOM 191 CA THR A 12 -2.167 -10.537 4.998 1.00 9.85 C ATOM 192 C THR A 12 -1.946 -11.079 3.617 1.00 11.66 C ATOM 193 O THR A 12 -1.902 -12.287 3.328 1.00 12.33 O ATOM 194 CB THR A 12 -1.044 -11.041 5.905 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.306 -10.845 7.255 1.00 10.91 O ATOM 196 CG2 THR A 12 0.239 -10.248 5.598 1.00 9.63 C ATOM 0 H THR A 12 -3.548 -12.110 5.391 1.00 9.63 H new ATOM 0 HA THR A 12 -2.168 -9.448 5.033 1.00 9.85 H new ATOM 0 HB THR A 12 -0.947 -12.109 5.711 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.023 -11.635 7.761 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.047 -10.600 6.240 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.516 -10.394 4.554 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.064 -9.188 5.783 1.00 9.63 H new ATOM 204 N ILE A 13 -1.645 -10.166 2.712 1.00 10.42 N ATOM 205 CA ILE A 13 -1.274 -10.579 1.359 1.00 11.84 C ATOM 206 C ILE A 13 0.162 -10.197 1.143 1.00 10.55 C ATOM 207 O ILE A 13 0.690 -9.312 1.755 1.00 11.92 O ATOM 208 CB ILE A 13 -2.147 -10.126 0.243 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.332 -8.566 0.239 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.536 -10.755 0.448 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.078 -8.056 -0.978 1.00 16.46 C ATOM 0 H ILE A 13 -1.647 -9.159 2.875 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.423 -11.658 1.319 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.684 -10.425 -0.697 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.871 -8.268 1.139 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.352 -8.090 0.282 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.200 -10.440 -0.357 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.448 -11.841 0.442 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.945 -10.429 1.404 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.172 -6.972 -0.919 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.529 -8.324 -1.880 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.071 -8.505 -1.011 1.00 16.46 H new ATOM 223 N THR A 14 0.827 -10.875 0.202 1.00 9.39 N ATOM 224 CA THR A 14 2.176 -10.528 -0.150 1.00 9.63 C ATOM 225 C THR A 14 2.150 -10.091 -1.613 1.00 11.20 C ATOM 226 O THR A 14 1.471 -10.701 -2.463 1.00 11.63 O ATOM 227 CB THR A 14 3.184 -11.685 -0.148 1.00 10.38 C ATOM 228 OG1 THR A 14 3.081 -12.352 1.091 1.00 16.30 O ATOM 229 CG2 THR A 14 4.582 -11.125 -0.187 1.00 11.66 C ATOM 0 H THR A 14 0.440 -11.662 -0.319 1.00 9.39 H new ATOM 0 HA THR A 14 2.487 -9.791 0.590 1.00 9.63 H new ATOM 0 HB THR A 14 2.986 -12.338 -0.998 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.589 -11.861 1.770 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.302 -11.943 -0.186 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.711 -10.530 -1.091 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.746 -10.496 0.688 1.00 11.66 H new ATOM 237 N LEU A 15 2.867 -8.980 -1.870 1.00 8.29 N ATOM 238 CA LEU A 15 3.000 -8.307 -3.153 1.00 9.03 C ATOM 239 C LEU A 15 4.457 -8.329 -3.531 1.00 8.59 C ATOM 240 O LEU A 15 5.325 -8.140 -2.683 1.00 7.79 O ATOM 241 CB LEU A 15 2.397 -6.891 -3.049 1.00 11.08 C ATOM 242 CG LEU A 15 0.930 -6.826 -2.554 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.577 -5.332 -2.248 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.108 -7.256 -3.585 1.00 15.27 C ATOM 0 H LEU A 15 3.396 -8.509 -1.136 1.00 8.29 H new ATOM 0 HA LEU A 15 2.447 -8.809 -3.948 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.016 -6.300 -2.374 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.453 -6.418 -4.030 1.00 11.08 H new ATOM 0 HG LEU A 15 0.887 -7.500 -1.699 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.453 -5.266 -1.898 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.247 -4.950 -1.478 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.691 -4.738 -3.155 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.105 -7.178 -3.152 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.041 -6.609 -4.460 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.079 -8.288 -3.881 1.00 15.27 H new ATOM 256 N GLU A 16 4.738 -8.497 -4.778 1.00 11.04 N ATOM 257 CA GLU A 16 6.126 -8.492 -5.346 1.00 11.50 C ATOM 258 C GLU A 16 6.304 -7.177 -6.079 1.00 10.13 C ATOM 259 O GLU A 16 5.532 -6.834 -6.957 1.00 9.83 O ATOM 260 CB GLU A 16 6.225 -9.682 -6.238 1.00 17.22 C ATOM 261 CG GLU A 16 7.535 -9.688 -7.128 1.00 23.33 C ATOM 262 CD GLU A 16 8.729 -10.154 -6.304 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.589 -11.339 -5.790 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.715 -9.427 -6.200 1.00 28.90 O ATOM 0 H GLU A 16 4.019 -8.649 -5.485 1.00 11.04 H new ATOM 0 HA GLU A 16 6.915 -8.562 -4.598 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.203 -10.586 -5.630 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.351 -9.714 -6.889 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.397 -10.346 -7.986 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.722 -8.688 -7.519 1.00 23.33 H new ATOM 271 N VAL A 17 7.265 -6.380 -5.660 1.00 8.99 N ATOM 272 CA VAL A 17 7.437 -4.940 -6.087 1.00 8.85 C ATOM 273 C VAL A 17 8.885 -4.533 -6.261 1.00 8.04 C ATOM 274 O VAL A 17 9.810 -5.253 -5.884 1.00 8.99 O ATOM 275 CB VAL A 17 6.840 -4.015 -5.063 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.262 -4.090 -4.979 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.476 -4.321 -3.685 1.00 10.54 C ATOM 0 H VAL A 17 7.980 -6.687 -5.000 1.00 8.99 H new ATOM 0 HA VAL A 17 6.932 -4.862 -7.050 1.00 8.85 H new ATOM 0 HB VAL A 17 7.065 -2.995 -5.374 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.905 -3.395 -4.219 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.833 -3.823 -5.945 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.959 -5.103 -4.715 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.051 -3.656 -2.933 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.272 -5.356 -3.412 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.554 -4.166 -3.739 1.00 10.54 H new ATOM 287 N GLU A 18 9.221 -3.410 -6.855 1.00 7.29 N ATOM 288 CA GLU A 18 10.506 -2.846 -6.903 1.00 7.08 C ATOM 289 C GLU A 18 10.610 -1.825 -5.733 1.00 6.45 C ATOM 290 O GLU A 18 9.592 -1.188 -5.517 1.00 5.28 O ATOM 291 CB GLU A 18 10.831 -2.172 -8.211 1.00 10.28 C ATOM 292 CG GLU A 18 10.909 -3.096 -9.412 1.00 12.65 C ATOM 293 CD GLU A 18 11.282 -2.357 -10.683 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.424 -1.524 -11.116 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.369 -2.606 -11.278 1.00 14.33 O ATOM 0 H GLU A 18 8.533 -2.841 -7.348 1.00 7.29 H new ATOM 0 HA GLU A 18 11.233 -3.652 -6.809 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.076 -1.411 -8.407 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.785 -1.655 -8.108 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.644 -3.877 -9.219 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.947 -3.590 -9.551 1.00 12.65 H new ATOM 302 N PRO A 19 11.600 -1.552 -5.005 1.00 7.24 N ATOM 303 CA PRO A 19 11.610 -0.469 -4.008 1.00 7.07 C ATOM 304 C PRO A 19 11.567 0.920 -4.641 1.00 6.65 C ATOM 305 O PRO A 19 11.348 1.919 -3.968 1.00 6.37 O ATOM 306 CB PRO A 19 12.903 -0.751 -3.247 1.00 7.61 C ATOM 307 CG PRO A 19 13.851 -1.415 -4.293 1.00 8.16 C ATOM 308 CD PRO A 19 12.834 -2.163 -5.234 1.00 7.49 C ATOM 0 HA PRO A 19 10.730 -0.457 -3.365 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.335 0.167 -2.850 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.726 -1.413 -2.399 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.440 -0.676 -4.836 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.555 -2.103 -3.825 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.128 -2.075 -6.280 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.794 -3.227 -5.003 1.00 7.49 H new ATOM 316 N SER A 20 11.830 0.952 -5.948 1.00 6.80 N ATOM 317 CA SER A 20 11.662 2.142 -6.721 1.00 6.28 C ATOM 318 C SER A 20 10.199 2.321 -7.171 1.00 8.45 C ATOM 319 O SER A 20 9.949 3.347 -7.773 1.00 7.26 O ATOM 320 CB SER A 20 12.486 1.974 -8.033 1.00 8.57 C ATOM 321 OG SER A 20 12.344 0.648 -8.580 1.00 11.13 O ATOM 0 H SER A 20 12.163 0.148 -6.481 1.00 6.80 H new ATOM 0 HA SER A 20 11.974 2.990 -6.111 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.156 2.709 -8.767 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.538 2.175 -7.831 1.00 8.57 H new ATOM 0 HG SER A 20 12.871 0.575 -9.403 1.00 11.13 H new ATOM 327 N ASP A 21 9.258 1.479 -6.803 1.00 7.50 N ATOM 328 CA ASP A 21 7.850 1.655 -7.158 1.00 7.70 C ATOM 329 C ASP A 21 7.271 2.601 -6.149 1.00 7.08 C ATOM 330 O ASP A 21 7.654 2.508 -4.939 1.00 8.11 O ATOM 331 CB ASP A 21 6.981 0.351 -6.998 1.00 11.00 C ATOM 332 CG ASP A 21 7.213 -0.650 -8.051 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.402 -0.150 -9.229 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.037 -1.878 -7.821 1.00 14.36 O ATOM 0 H ASP A 21 9.440 0.645 -6.245 1.00 7.50 H new ATOM 0 HA ASP A 21 7.825 1.979 -8.198 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.194 -0.099 -6.028 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.926 0.626 -6.997 1.00 11.00 H new ATOM 339 N THR A 22 6.239 3.384 -6.617 1.00 5.37 N ATOM 340 CA THR A 22 5.438 4.214 -5.734 1.00 6.01 C ATOM 341 C THR A 22 4.302 3.512 -5.151 1.00 8.01 C ATOM 342 O THR A 22 3.791 2.493 -5.605 1.00 8.11 O ATOM 343 CB THR A 22 4.948 5.491 -6.491 1.00 8.92 C ATOM 344 OG1 THR A 22 4.131 5.101 -7.612 1.00 10.22 O ATOM 345 CG2 THR A 22 6.105 6.295 -7.078 1.00 9.65 C ATOM 0 H THR A 22 5.968 3.436 -7.599 1.00 5.37 H new ATOM 0 HA THR A 22 6.087 4.497 -4.905 1.00 6.01 H new ATOM 0 HB THR A 22 4.406 6.094 -5.762 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.823 5.901 -8.086 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.714 7.172 -7.594 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.771 6.613 -6.276 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.657 5.675 -7.784 1.00 9.65 H new ATOM 353 N ILE A 23 3.713 4.090 -4.071 1.00 8.32 N ATOM 354 CA ILE A 23 2.421 3.750 -3.479 1.00 9.92 C ATOM 355 C ILE A 23 1.198 3.679 -4.419 1.00 10.01 C ATOM 356 O ILE A 23 0.286 2.821 -4.228 1.00 8.71 O ATOM 357 CB ILE A 23 2.212 4.742 -2.396 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.386 4.935 -1.393 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.990 4.281 -1.587 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.927 3.602 -0.733 1.00 12.30 C ATOM 0 H ILE A 23 4.169 4.852 -3.569 1.00 8.32 H new ATOM 0 HA ILE A 23 2.480 2.717 -3.136 1.00 9.92 H new ATOM 0 HB ILE A 23 2.098 5.703 -2.898 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.210 5.427 -1.911 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.060 5.609 -0.601 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.802 4.987 -0.778 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.118 4.236 -2.239 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.182 3.293 -1.169 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.743 3.839 -0.050 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.122 3.116 -0.182 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.289 2.931 -1.512 1.00 12.30 H new ATOM 372 N GLU A 24 1.112 4.539 -5.412 1.00 9.54 N ATOM 373 CA GLU A 24 0.058 4.570 -6.498 1.00 11.81 C ATOM 374 C GLU A 24 0.032 3.227 -7.381 1.00 11.14 C ATOM 375 O GLU A 24 -1.062 2.634 -7.630 1.00 10.62 O ATOM 376 CB GLU A 24 0.357 5.787 -7.352 1.00 19.24 C ATOM 377 CG GLU A 24 -0.884 6.153 -8.264 1.00 27.76 C ATOM 378 CD GLU A 24 -0.421 7.129 -9.288 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.762 7.522 -9.376 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.351 7.751 -9.915 1.00 36.51 O ATOM 0 H GLU A 24 1.794 5.290 -5.522 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.934 4.630 -6.051 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.606 6.634 -6.712 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.229 5.593 -7.977 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.285 5.259 -8.742 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.687 6.581 -7.664 1.00 27.76 H new ATOM 387 N ASN A 25 1.265 2.688 -7.707 1.00 9.43 N ATOM 388 CA ASN A 25 1.451 1.422 -8.350 1.00 10.96 C ATOM 389 C ASN A 25 1.051 0.237 -7.416 1.00 9.68 C ATOM 390 O ASN A 25 0.418 -0.713 -7.874 1.00 9.33 O ATOM 391 CB ASN A 25 2.938 1.266 -8.754 1.00 16.78 C ATOM 392 CG ASN A 25 3.187 2.143 -10.006 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.898 1.658 -11.131 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.628 3.372 -9.793 1.00 24.70 N ATOM 0 H ASN A 25 2.143 3.167 -7.507 1.00 9.43 H new ATOM 0 HA ASN A 25 0.809 1.395 -9.230 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.590 1.575 -7.937 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.168 0.222 -8.968 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.758 4.010 -10.578 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.838 3.681 -8.844 1.00 24.70 H new ATOM 401 N VAL A 26 1.352 0.269 -6.110 1.00 6.52 N ATOM 402 CA VAL A 26 0.957 -0.702 -5.125 1.00 5.53 C ATOM 403 C VAL A 26 -0.593 -0.872 -5.021 1.00 4.42 C ATOM 404 O VAL A 26 -1.096 -1.974 -5.084 1.00 3.40 O ATOM 405 CB VAL A 26 1.588 -0.509 -3.761 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.320 -1.620 -2.773 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.165 -0.313 -3.985 1.00 8.12 C ATOM 0 H VAL A 26 1.910 1.023 -5.708 1.00 6.52 H new ATOM 0 HA VAL A 26 1.363 -1.639 -5.506 1.00 5.53 H new ATOM 0 HB VAL A 26 1.128 0.367 -3.305 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.812 -1.392 -1.827 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.246 -1.711 -2.611 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.708 -2.559 -3.167 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.654 -0.171 -3.022 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.576 -1.197 -4.474 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.337 0.562 -4.612 1.00 8.12 H new ATOM 417 N LYS A 27 -1.366 0.217 -5.007 1.00 2.64 N ATOM 418 CA LYS A 27 -2.820 0.182 -5.054 1.00 4.14 C ATOM 419 C LYS A 27 -3.315 -0.586 -6.309 1.00 5.58 C ATOM 420 O LYS A 27 -4.250 -1.316 -6.298 1.00 4.11 O ATOM 421 CB LYS A 27 -3.391 1.609 -4.920 1.00 3.97 C ATOM 422 CG LYS A 27 -2.981 2.324 -3.632 1.00 7.45 C ATOM 423 CD LYS A 27 -3.529 3.740 -3.661 1.00 9.02 C ATOM 424 CE LYS A 27 -3.308 4.549 -2.350 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.882 5.923 -2.643 1.00 15.47 N ATOM 0 H LYS A 27 -0.986 1.163 -4.962 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.203 -0.379 -4.202 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.063 2.202 -5.773 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.479 1.560 -4.966 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.366 1.788 -2.764 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.895 2.342 -3.540 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.064 4.278 -4.487 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.598 3.697 -3.870 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.814 4.081 -1.506 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.250 4.608 -2.095 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.667 6.565 -1.853 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.460 6.296 -3.517 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.913 5.851 -2.760 1.00 15.47 H new ATOM 439 N ALA A 28 -2.698 -0.325 -7.472 1.00 6.61 N ATOM 440 CA ALA A 28 -3.061 -0.972 -8.720 1.00 7.74 C ATOM 441 C ALA A 28 -2.732 -2.497 -8.724 1.00 9.17 C ATOM 442 O ALA A 28 -3.487 -3.333 -9.198 1.00 11.45 O ATOM 443 CB ALA A 28 -2.339 -0.267 -9.913 1.00 7.68 C ATOM 0 H ALA A 28 -1.933 0.344 -7.562 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.141 -0.878 -8.829 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.615 -0.757 -10.847 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.637 0.781 -9.951 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.260 -0.332 -9.775 1.00 7.68 H new ATOM 449 N LYS A 29 -1.637 -2.930 -8.047 1.00 8.96 N ATOM 450 CA LYS A 29 -1.314 -4.331 -7.923 1.00 7.90 C ATOM 451 C LYS A 29 -2.131 -5.038 -6.878 1.00 6.92 C ATOM 452 O LYS A 29 -2.313 -6.276 -6.879 1.00 6.87 O ATOM 453 CB LYS A 29 0.182 -4.340 -7.490 1.00 10.28 C ATOM 454 CG LYS A 29 0.794 -5.725 -7.360 1.00 14.94 C ATOM 455 CD LYS A 29 2.403 -5.691 -7.552 1.00 19.69 C ATOM 456 CE LYS A 29 2.874 -5.723 -9.019 1.00 22.63 C ATOM 457 NZ LYS A 29 4.324 -5.531 -9.009 1.00 24.98 N ATOM 0 H LYS A 29 -0.975 -2.307 -7.585 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.518 -4.852 -8.858 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.760 -3.768 -8.216 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.273 -3.826 -6.533 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.553 -6.139 -6.381 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.353 -6.389 -8.104 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.793 -4.790 -7.078 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.837 -6.542 -7.026 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.614 -6.673 -9.486 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.386 -4.939 -9.598 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.690 -5.597 -9.980 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.547 -4.594 -8.618 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.767 -6.266 -8.422 1.00 24.98 H new ATOM 471 N ILE A 30 -2.649 -4.297 -5.882 1.00 4.57 N ATOM 472 CA ILE A 30 -3.683 -4.778 -4.980 1.00 5.58 C ATOM 473 C ILE A 30 -5.021 -4.965 -5.663 1.00 7.26 C ATOM 474 O ILE A 30 -5.697 -5.976 -5.379 1.00 9.46 O ATOM 475 CB ILE A 30 -3.795 -3.922 -3.728 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.570 -4.161 -2.853 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.000 -4.359 -2.930 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.495 -3.239 -1.641 1.00 2.00 C ATOM 0 H ILE A 30 -2.352 -3.341 -5.688 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.366 -5.770 -4.660 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.877 -2.874 -4.018 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.574 -5.196 -2.512 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.672 -4.028 -3.456 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.083 -3.747 -2.032 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.899 -4.240 -3.534 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.889 -5.406 -2.647 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.598 -3.467 -1.065 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.459 -2.202 -1.974 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.375 -3.388 -1.015 1.00 2.00 H new ATOM 490 N GLN A 31 -5.334 -4.044 -6.539 1.00 7.06 N ATOM 491 CA GLN A 31 -6.560 -4.157 -7.370 1.00 8.67 C ATOM 492 C GLN A 31 -6.517 -5.339 -8.298 1.00 10.90 C ATOM 493 O GLN A 31 -7.493 -6.070 -8.537 1.00 9.63 O ATOM 494 CB GLN A 31 -6.873 -2.870 -8.195 1.00 9.12 C ATOM 495 CG GLN A 31 -8.190 -2.926 -8.934 1.00 10.76 C ATOM 496 CD GLN A 31 -8.575 -1.627 -9.652 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.765 -0.904 -10.243 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.915 -1.305 -9.626 1.00 14.76 N ATOM 0 H GLN A 31 -4.779 -3.206 -6.713 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.364 -4.298 -6.648 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.880 -2.012 -7.523 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.070 -2.706 -8.914 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.146 -3.732 -9.667 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.978 -3.182 -8.226 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.575 -1.908 -9.135 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.246 -0.463 -10.097 1.00 14.76 H new ATOM 507 N ASP A 32 -5.339 -5.602 -8.863 1.00 10.93 N ATOM 508 CA ASP A 32 -5.161 -6.793 -9.709 1.00 14.01 C ATOM 509 C ASP A 32 -5.402 -8.074 -8.900 1.00 14.04 C ATOM 510 O ASP A 32 -6.102 -9.009 -9.357 1.00 13.39 O ATOM 511 CB ASP A 32 -3.685 -6.834 -10.168 1.00 18.01 C ATOM 512 CG ASP A 32 -3.379 -7.810 -11.339 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.065 -7.686 -12.402 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.419 -8.655 -11.188 1.00 26.29 O ATOM 0 H ASP A 32 -4.506 -5.023 -8.757 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.861 -6.739 -10.543 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.387 -5.829 -10.467 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.064 -7.110 -9.315 1.00 18.01 H new ATOM 519 N LYS A 33 -4.868 -8.209 -7.694 1.00 14.22 N ATOM 520 CA LYS A 33 -4.944 -9.419 -6.968 1.00 14.00 C ATOM 521 C LYS A 33 -6.308 -9.549 -6.303 1.00 12.37 C ATOM 522 O LYS A 33 -6.992 -10.627 -6.378 1.00 12.17 O ATOM 523 CB LYS A 33 -3.848 -9.455 -5.891 1.00 18.62 C ATOM 524 CG LYS A 33 -3.811 -10.715 -4.927 1.00 24.00 C ATOM 525 CD LYS A 33 -2.596 -10.809 -4.004 1.00 27.61 C ATOM 526 CE LYS A 33 -1.237 -11.096 -4.760 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.168 -12.461 -5.336 1.00 30.06 N ATOM 0 H LYS A 33 -4.371 -7.462 -7.209 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.801 -10.249 -7.660 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.882 -9.385 -6.391 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.953 -8.562 -5.274 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.711 -10.705 -4.312 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.851 -11.617 -5.537 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.501 -9.876 -3.448 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.768 -11.599 -3.273 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.111 -10.365 -5.558 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.407 -10.958 -4.067 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.255 -12.589 -5.818 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.259 -13.164 -4.575 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.941 -12.589 -6.020 1.00 30.06 H new ATOM 541 N GLU A 34 -6.714 -8.622 -5.441 1.00 10.11 N ATOM 542 CA GLU A 34 -7.766 -8.709 -4.464 1.00 10.07 C ATOM 543 C GLU A 34 -8.972 -7.913 -4.885 1.00 9.32 C ATOM 544 O GLU A 34 -9.963 -7.888 -4.126 1.00 11.61 O ATOM 545 CB GLU A 34 -7.294 -8.067 -3.101 1.00 14.77 C ATOM 546 CG GLU A 34 -6.653 -9.076 -2.169 1.00 18.75 C ATOM 547 CD GLU A 34 -7.613 -10.110 -1.690 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.354 -9.806 -0.759 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.708 -11.182 -2.314 1.00 25.19 O ATOM 0 H GLU A 34 -6.264 -7.707 -5.416 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.009 -9.767 -4.362 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.583 -7.267 -3.308 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.150 -7.612 -2.603 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.826 -9.565 -2.684 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.230 -8.554 -1.311 1.00 18.75 H new ATOM 556 N GLY A 35 -8.922 -7.193 -6.037 1.00 7.22 N ATOM 557 CA GLY A 35 -10.117 -6.636 -6.606 1.00 6.29 C ATOM 558 C GLY A 35 -10.559 -5.351 -5.936 1.00 6.93 C ATOM 559 O GLY A 35 -11.647 -4.865 -6.246 1.00 7.41 O ATOM 0 H GLY A 35 -8.068 -7.002 -6.561 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.951 -6.446 -7.666 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.920 -7.369 -6.535 1.00 6.29 H new ATOM 563 N ILE A 36 -9.704 -4.716 -5.147 1.00 5.86 N ATOM 564 CA ILE A 36 -9.962 -3.552 -4.314 1.00 6.07 C ATOM 565 C ILE A 36 -9.761 -2.276 -5.123 1.00 6.36 C ATOM 566 O ILE A 36 -8.658 -2.194 -5.687 1.00 6.18 O ATOM 567 CB ILE A 36 -9.053 -3.456 -3.011 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.272 -4.792 -2.218 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.382 -2.190 -2.203 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.596 -4.743 -0.874 1.00 9.49 C ATOM 0 H ILE A 36 -8.736 -5.027 -5.067 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.993 -3.666 -3.980 1.00 6.07 H new ATOM 0 HB ILE A 36 -7.995 -3.355 -3.254 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.339 -4.969 -2.085 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.880 -5.629 -2.795 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.747 -2.148 -1.318 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.204 -1.309 -2.819 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.428 -2.214 -1.898 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.765 -5.682 -0.347 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.525 -4.591 -1.011 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.008 -3.920 -0.290 1.00 9.49 H new ATOM 582 N PRO A 37 -10.698 -1.418 -5.283 1.00 8.65 N ATOM 583 CA PRO A 37 -10.474 -0.061 -5.880 1.00 9.18 C ATOM 584 C PRO A 37 -9.271 0.725 -5.346 1.00 9.85 C ATOM 585 O PRO A 37 -9.238 0.788 -4.134 1.00 8.51 O ATOM 586 CB PRO A 37 -11.714 0.705 -5.568 1.00 11.42 C ATOM 587 CG PRO A 37 -12.822 -0.384 -5.397 1.00 9.27 C ATOM 588 CD PRO A 37 -12.063 -1.505 -4.699 1.00 8.33 C ATOM 0 HA PRO A 37 -10.256 -0.196 -6.939 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.596 1.296 -4.660 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.962 1.400 -6.370 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.658 -0.024 -4.798 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.231 -0.704 -6.356 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.046 -1.366 -3.618 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.519 -2.477 -4.888 1.00 8.33 H new ATOM 596 N PRO A 38 -8.425 1.464 -6.084 1.00 8.71 N ATOM 597 CA PRO A 38 -7.504 2.371 -5.523 1.00 9.08 C ATOM 598 C PRO A 38 -8.245 3.531 -4.862 1.00 9.28 C ATOM 599 O PRO A 38 -7.708 4.143 -3.930 1.00 6.50 O ATOM 600 CB PRO A 38 -6.655 2.749 -6.728 1.00 10.31 C ATOM 601 CG PRO A 38 -6.605 1.520 -7.677 1.00 10.81 C ATOM 602 CD PRO A 38 -7.972 0.926 -7.366 1.00 12.00 C ATOM 0 HA PRO A 38 -6.884 1.982 -4.715 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -7.082 3.611 -7.241 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.650 3.031 -6.414 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.496 1.801 -8.725 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.787 0.839 -7.442 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.682 1.175 -8.154 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.912 -0.161 -7.322 1.00 12.00 H new ATOM 610 N ASP A 39 -9.472 3.862 -5.344 1.00 11.20 N ATOM 611 CA ASP A 39 -10.286 4.961 -4.866 1.00 14.96 C ATOM 612 C ASP A 39 -10.727 4.769 -3.374 1.00 13.99 C ATOM 613 O ASP A 39 -11.079 5.745 -2.670 1.00 13.75 O ATOM 614 CB ASP A 39 -11.645 5.173 -5.677 1.00 24.16 C ATOM 615 CG ASP A 39 -11.362 5.852 -6.979 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.754 6.956 -6.950 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.811 5.388 -8.042 1.00 35.55 O ATOM 0 H ASP A 39 -9.917 3.341 -6.100 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.630 5.821 -4.997 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -12.125 4.211 -5.856 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.340 5.772 -5.088 1.00 24.16 H new ATOM 622 N GLN A 40 -10.645 3.557 -2.751 1.00 11.60 N ATOM 623 CA GLN A 40 -10.773 3.443 -1.345 1.00 10.76 C ATOM 624 C GLN A 40 -9.488 3.319 -0.554 1.00 8.01 C ATOM 625 O GLN A 40 -9.456 3.339 0.679 1.00 8.96 O ATOM 626 CB GLN A 40 -11.662 2.203 -0.946 1.00 11.14 C ATOM 627 CG GLN A 40 -13.086 2.071 -1.621 1.00 14.85 C ATOM 628 CD GLN A 40 -13.752 0.813 -1.113 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.876 -0.208 -1.812 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.122 0.823 0.179 1.00 18.16 N ATOM 0 H GLN A 40 -10.491 2.673 -3.236 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.228 4.398 -1.082 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.098 1.299 -1.174 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.804 2.226 0.134 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.697 2.943 -1.386 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.987 2.034 -2.706 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.012 1.671 0.735 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.513 -0.018 0.604 1.00 18.16 H new ATOM 639 N GLN A 41 -8.316 3.150 -1.173 1.00 6.52 N ATOM 640 CA GLN A 41 -7.137 2.732 -0.454 1.00 3.87 C ATOM 641 C GLN A 41 -6.323 3.859 0.177 1.00 4.79 C ATOM 642 O GLN A 41 -5.977 4.863 -0.440 1.00 6.34 O ATOM 643 CB GLN A 41 -6.198 1.935 -1.410 1.00 4.20 C ATOM 644 CG GLN A 41 -6.806 0.604 -1.901 1.00 3.20 C ATOM 645 CD GLN A 41 -5.814 -0.341 -2.666 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.669 -0.562 -2.256 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.232 -0.792 -3.893 1.00 7.13 N ATOM 0 H GLN A 41 -8.171 3.300 -2.172 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.512 2.123 0.369 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.959 2.556 -2.273 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.259 1.729 -0.896 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.205 0.066 -1.041 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.648 0.827 -2.556 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.181 -0.598 -4.211 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.593 -1.321 -4.487 1.00 7.13 H new ATOM 656 N ARG A 42 -6.076 3.656 1.509 1.00 5.73 N ATOM 657 CA ARG A 42 -5.112 4.414 2.316 1.00 6.97 C ATOM 658 C ARG A 42 -4.080 3.454 2.948 1.00 7.15 C ATOM 659 O ARG A 42 -4.413 2.440 3.552 1.00 7.33 O ATOM 660 CB ARG A 42 -5.815 5.125 3.421 1.00 13.23 C ATOM 661 CG ARG A 42 -6.469 6.475 3.021 1.00 21.27 C ATOM 662 CD ARG A 42 -7.556 6.990 4.019 1.00 26.14 C ATOM 663 NE ARG A 42 -7.885 8.335 3.543 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.991 8.961 3.951 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.876 8.432 4.808 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.224 10.223 3.503 1.00 36.39 N ATOM 0 H ARG A 42 -6.563 2.939 2.047 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.613 5.131 1.664 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.588 4.469 3.821 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.103 5.308 4.226 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.688 7.230 2.933 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.921 6.367 2.035 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.433 6.343 4.018 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.177 7.012 5.041 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.258 8.802 2.888 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.722 7.498 5.188 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.703 8.964 5.080 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.561 10.670 2.870 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.062 10.723 3.800 1.00 36.39 H new ATOM 680 N LEU A 43 -2.776 3.737 2.823 1.00 4.65 N ATOM 681 CA LEU A 43 -1.753 2.796 3.277 1.00 3.51 C ATOM 682 C LEU A 43 -0.909 3.373 4.387 1.00 5.56 C ATOM 683 O LEU A 43 -0.321 4.456 4.222 1.00 4.19 O ATOM 684 CB LEU A 43 -0.832 2.361 2.045 1.00 3.74 C ATOM 685 CG LEU A 43 0.131 1.150 2.222 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.678 -0.155 2.496 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.931 0.966 0.910 1.00 6.41 C ATOM 0 H LEU A 43 -2.412 4.599 2.417 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.260 1.919 3.679 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.488 2.141 1.203 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.229 3.224 1.762 1.00 3.74 H new ATOM 0 HG LEU A 43 0.796 1.341 3.064 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.011 -0.991 2.617 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.266 -0.034 3.406 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.345 -0.353 1.657 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.612 0.121 1.014 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.242 0.777 0.087 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.504 1.870 0.703 1.00 6.41 H new ATOM 699 N ILE A 44 -0.772 2.685 5.486 1.00 4.58 N ATOM 700 CA ILE A 44 0.022 3.135 6.700 1.00 5.55 C ATOM 701 C ILE A 44 1.294 2.359 6.872 1.00 5.46 C ATOM 702 O ILE A 44 1.332 1.125 6.807 1.00 6.04 O ATOM 703 CB ILE A 44 -0.828 3.062 7.953 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.303 3.465 7.869 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.109 3.748 9.150 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.514 4.970 7.677 1.00 13.90 C ATOM 0 H ILE A 44 -1.202 1.768 5.611 1.00 4.58 H new ATOM 0 HA ILE A 44 0.306 4.173 6.529 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.913 1.987 8.113 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.771 2.932 7.041 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.811 3.148 8.780 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.738 3.683 10.038 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.840 3.247 9.340 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.075 4.796 8.912 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.582 5.184 7.626 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.076 5.509 8.517 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.035 5.289 6.751 1.00 13.90 H new ATOM 718 N PHE A 45 2.349 3.142 7.185 1.00 6.75 N ATOM 719 CA PHE A 45 3.656 2.614 7.634 1.00 4.70 C ATOM 720 C PHE A 45 4.390 3.705 8.507 1.00 6.34 C ATOM 721 O PHE A 45 4.324 4.878 8.223 1.00 5.45 O ATOM 722 CB PHE A 45 4.486 2.153 6.372 1.00 5.51 C ATOM 723 CG PHE A 45 5.756 1.562 6.710 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.789 0.163 6.971 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.951 2.308 6.725 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.032 -0.513 7.162 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.166 1.654 6.883 1.00 6.64 C ATOM 728 CZ PHE A 45 8.210 0.273 7.124 1.00 6.84 C ATOM 0 H PHE A 45 2.318 4.160 7.133 1.00 6.75 H new ATOM 0 HA PHE A 45 3.532 1.738 8.271 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.898 1.433 5.802 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.654 3.012 5.723 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.864 -0.393 7.025 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.922 3.382 6.614 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.073 -1.579 7.329 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.087 2.215 6.820 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.166 -0.203 7.285 1.00 6.84 H new ATOM 738 N ALA A 46 5.033 3.180 9.647 1.00 6.53 N ATOM 739 CA ALA A 46 5.796 3.896 10.651 1.00 7.15 C ATOM 740 C ALA A 46 4.986 4.982 11.433 1.00 9.00 C ATOM 741 O ALA A 46 5.500 6.035 11.829 1.00 11.15 O ATOM 742 CB ALA A 46 7.014 4.543 9.973 1.00 8.99 C ATOM 0 H ALA A 46 4.997 2.181 9.850 1.00 6.53 H new ATOM 0 HA ALA A 46 6.093 3.162 11.400 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.598 5.086 10.716 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.633 3.768 9.520 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.676 5.235 9.201 1.00 8.99 H new ATOM 748 N GLY A 47 3.690 4.690 11.524 1.00 9.35 N ATOM 749 CA GLY A 47 2.636 5.626 11.877 1.00 11.68 C ATOM 750 C GLY A 47 2.308 6.740 10.862 1.00 11.14 C ATOM 751 O GLY A 47 1.614 7.702 11.157 1.00 13.93 O ATOM 0 H GLY A 47 3.335 3.751 11.345 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.725 5.055 12.057 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.908 6.099 12.821 1.00 11.68 H new ATOM 755 N LYS A 48 2.808 6.722 9.627 1.00 10.47 N ATOM 756 CA LYS A 48 2.530 7.670 8.527 1.00 8.82 C ATOM 757 C LYS A 48 1.520 7.065 7.555 1.00 7.68 C ATOM 758 O LYS A 48 1.606 5.885 7.277 1.00 6.47 O ATOM 759 CB LYS A 48 3.742 8.048 7.693 1.00 9.74 C ATOM 760 CG LYS A 48 4.769 8.869 8.469 1.00 14.14 C ATOM 761 CD LYS A 48 6.053 9.202 7.727 1.00 16.32 C ATOM 762 CE LYS A 48 7.166 9.805 8.594 1.00 20.04 C ATOM 763 NZ LYS A 48 8.345 10.204 7.771 1.00 23.92 N ATOM 0 H LYS A 48 3.465 5.997 9.339 1.00 10.47 H new ATOM 0 HA LYS A 48 2.162 8.565 9.028 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.217 7.140 7.321 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.414 8.616 6.822 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.299 9.802 8.779 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.028 8.325 9.377 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.430 8.293 7.259 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.820 9.901 6.924 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.782 10.675 9.127 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.475 9.080 9.347 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.078 10.608 8.388 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.725 9.369 7.282 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.054 10.914 7.069 1.00 23.92 H new ATOM 777 N GLN A 49 0.722 7.879 6.904 1.00 8.89 N ATOM 778 CA GLN A 49 -0.209 7.583 5.803 1.00 7.18 C ATOM 779 C GLN A 49 0.626 7.953 4.589 1.00 8.23 C ATOM 780 O GLN A 49 1.069 9.086 4.392 1.00 9.70 O ATOM 781 CB GLN A 49 -1.550 8.294 5.866 1.00 11.67 C ATOM 782 CG GLN A 49 -2.654 7.913 4.821 1.00 15.82 C ATOM 783 CD GLN A 49 -3.905 8.714 5.156 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.351 8.772 6.297 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.622 9.298 4.113 1.00 20.67 N ATOM 0 H GLN A 49 0.695 8.870 7.146 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.549 6.547 5.814 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.965 8.129 6.860 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.362 9.364 5.773 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.316 8.137 3.809 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.863 6.844 4.858 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.261 9.256 3.160 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.508 9.767 4.303 1.00 20.67 H new ATOM 794 N LEU A 50 0.898 6.924 3.717 1.00 6.51 N ATOM 795 CA LEU A 50 1.800 6.985 2.625 1.00 7.41 C ATOM 796 C LEU A 50 1.211 7.587 1.422 1.00 8.27 C ATOM 797 O LEU A 50 0.227 7.106 0.866 1.00 8.34 O ATOM 798 CB LEU A 50 2.287 5.556 2.235 1.00 7.13 C ATOM 799 CG LEU A 50 2.761 4.728 3.437 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.408 3.406 2.959 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.692 5.498 4.367 1.00 9.11 C ATOM 0 H LEU A 50 0.450 6.012 3.803 1.00 6.51 H new ATOM 0 HA LEU A 50 2.625 7.611 2.965 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.476 5.027 1.735 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.102 5.641 1.517 1.00 7.13 H new ATOM 0 HG LEU A 50 1.876 4.494 4.029 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.739 2.830 3.823 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.677 2.827 2.395 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.264 3.629 2.322 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.991 4.856 5.196 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.578 5.814 3.815 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.174 6.375 4.755 1.00 9.11 H new ATOM 813 N GLU A 51 1.886 8.599 0.917 1.00 9.43 N ATOM 814 CA GLU A 51 1.476 9.378 -0.236 1.00 11.90 C ATOM 815 C GLU A 51 1.775 8.673 -1.506 1.00 11.49 C ATOM 816 O GLU A 51 2.880 8.179 -1.723 1.00 9.88 O ATOM 817 CB GLU A 51 2.283 10.741 -0.293 1.00 16.56 C ATOM 818 CG GLU A 51 2.146 11.617 0.963 1.00 26.06 C ATOM 819 CD GLU A 51 2.562 13.074 0.764 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.751 13.381 0.805 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.684 13.999 0.533 1.00 33.44 O ATOM 0 H GLU A 51 2.771 8.915 1.314 1.00 9.43 H new ATOM 0 HA GLU A 51 0.404 9.543 -0.131 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.338 10.517 -0.451 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.945 11.312 -1.158 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.109 11.590 1.299 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.750 11.185 1.760 1.00 26.06 H new ATOM 828 N ASP A 52 0.754 8.641 -2.400 1.00 12.71 N ATOM 829 CA ASP A 52 0.774 7.945 -3.695 1.00 16.56 C ATOM 830 C ASP A 52 2.021 8.079 -4.497 1.00 15.83 C ATOM 831 O ASP A 52 2.565 7.117 -5.000 1.00 17.21 O ATOM 832 CB ASP A 52 -0.386 8.692 -4.492 1.00 21.05 C ATOM 833 CG ASP A 52 -1.727 8.217 -3.906 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.046 8.902 -2.891 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.423 7.300 -4.323 1.00 28.37 O ATOM 0 H ASP A 52 -0.131 9.117 -2.225 1.00 12.71 H new ATOM 0 HA ASP A 52 0.674 6.872 -3.531 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.285 9.773 -4.393 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.330 8.463 -5.556 1.00 21.05 H new ATOM 840 N GLY A 53 2.470 9.360 -4.651 1.00 15.00 N ATOM 841 CA GLY A 53 3.564 9.724 -5.533 1.00 11.77 C ATOM 842 C GLY A 53 4.962 9.485 -5.170 1.00 11.10 C ATOM 843 O GLY A 53 5.894 9.852 -5.888 1.00 11.25 O ATOM 0 H GLY A 53 2.066 10.154 -4.154 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.391 9.209 -6.478 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.468 10.792 -5.730 1.00 11.77 H new ATOM 847 N ARG A 54 5.206 8.954 -4.016 1.00 8.53 N ATOM 848 CA ARG A 54 6.540 8.729 -3.413 1.00 9.05 C ATOM 849 C ARG A 54 6.830 7.269 -3.529 1.00 8.96 C ATOM 850 O ARG A 54 5.965 6.380 -3.600 1.00 11.60 O ATOM 851 CB ARG A 54 6.642 9.097 -1.902 1.00 7.97 C ATOM 852 CG ARG A 54 6.532 10.603 -1.594 1.00 9.62 C ATOM 853 CD ARG A 54 6.642 10.809 -0.072 1.00 12.20 C ATOM 854 NE ARG A 54 6.399 12.189 0.321 1.00 18.23 N ATOM 855 CZ ARG A 54 7.324 13.131 0.470 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.635 12.865 0.182 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.980 14.357 0.891 1.00 23.38 N ATOM 0 H ARG A 54 4.452 8.636 -3.407 1.00 8.53 H new ATOM 0 HA ARG A 54 7.241 9.374 -3.943 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.855 8.572 -1.361 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.593 8.730 -1.517 1.00 7.97 H new ATOM 0 HG2 ARG A 54 7.322 11.152 -2.107 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.583 10.994 -1.960 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.927 10.159 0.432 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.635 10.509 0.261 1.00 12.20 H new ATOM 0 HE ARG A 54 5.431 12.457 0.498 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.907 11.939 -0.149 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.340 13.592 0.298 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.004 14.570 1.098 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.694 15.077 1.004 1.00 23.38 H new ATOM 871 N THR A 55 8.161 6.892 -3.431 1.00 9.05 N ATOM 872 CA THR A 55 8.584 5.496 -3.570 1.00 9.03 C ATOM 873 C THR A 55 8.606 4.772 -2.268 1.00 8.15 C ATOM 874 O THR A 55 8.545 5.320 -1.154 1.00 5.91 O ATOM 875 CB THR A 55 9.830 5.230 -4.393 1.00 11.15 C ATOM 876 OG1 THR A 55 10.992 5.461 -3.625 1.00 11.95 O ATOM 877 CG2 THR A 55 9.892 6.037 -5.631 1.00 11.71 C ATOM 0 H THR A 55 8.925 7.546 -3.259 1.00 9.05 H new ATOM 0 HA THR A 55 7.791 5.074 -4.187 1.00 9.03 H new ATOM 0 HB THR A 55 9.779 4.182 -4.689 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.988 6.384 -3.295 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.807 5.800 -6.174 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.029 5.810 -6.257 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.886 7.097 -5.375 1.00 11.71 H new ATOM 885 N LEU A 56 8.691 3.431 -2.395 1.00 6.91 N ATOM 886 CA LEU A 56 8.918 2.539 -1.292 1.00 8.29 C ATOM 887 C LEU A 56 10.226 2.726 -0.631 1.00 8.05 C ATOM 888 O LEU A 56 10.352 2.527 0.568 1.00 10.17 O ATOM 889 CB LEU A 56 8.697 1.074 -1.758 1.00 6.60 C ATOM 890 CG LEU A 56 7.287 0.568 -2.201 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.237 -0.837 -2.809 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.345 0.658 -1.006 1.00 8.64 C ATOM 0 H LEU A 56 8.599 2.953 -3.291 1.00 6.91 H new ATOM 0 HA LEU A 56 8.189 2.783 -0.519 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.374 0.901 -2.594 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.025 0.428 -0.943 1.00 6.60 H new ATOM 0 HG LEU A 56 6.980 1.220 -3.019 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.209 -1.081 -3.078 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.863 -0.870 -3.700 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.603 -1.562 -2.081 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.354 0.308 -1.297 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.726 0.037 -0.195 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.281 1.693 -0.671 1.00 8.64 H new ATOM 904 N SER A 57 11.294 3.174 -1.376 1.00 8.92 N ATOM 905 CA SER A 57 12.613 3.477 -0.851 1.00 9.00 C ATOM 906 C SER A 57 12.542 4.721 0.067 1.00 9.44 C ATOM 907 O SER A 57 13.078 4.791 1.221 1.00 10.91 O ATOM 908 CB SER A 57 13.604 3.763 -2.013 1.00 10.32 C ATOM 909 OG SER A 57 14.993 3.684 -1.624 1.00 13.59 O ATOM 0 H SER A 57 11.226 3.328 -2.382 1.00 8.92 H new ATOM 0 HA SER A 57 12.963 2.616 -0.281 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.420 3.052 -2.819 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.404 4.757 -2.413 1.00 10.32 H new ATOM 0 HG SER A 57 15.561 3.872 -2.400 1.00 13.59 H new ATOM 915 N ASP A 58 11.819 5.765 -0.311 1.00 9.11 N ATOM 916 CA ASP A 58 11.716 7.039 0.392 1.00 7.91 C ATOM 917 C ASP A 58 11.090 6.921 1.859 1.00 9.12 C ATOM 918 O ASP A 58 11.532 7.542 2.819 1.00 8.61 O ATOM 919 CB ASP A 58 10.710 7.953 -0.326 1.00 8.41 C ATOM 920 CG ASP A 58 11.301 8.443 -1.610 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.495 8.865 -1.494 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.715 8.338 -2.745 1.00 11.70 O ATOM 0 H ASP A 58 11.257 5.747 -1.162 1.00 9.11 H new ATOM 0 HA ASP A 58 12.741 7.409 0.425 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.787 7.409 -0.524 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.452 8.798 0.312 1.00 8.41 H new ATOM 927 N TYR A 59 10.054 6.107 2.002 1.00 7.97 N ATOM 928 CA TYR A 59 9.534 5.752 3.331 1.00 8.45 C ATOM 929 C TYR A 59 10.290 4.594 4.042 1.00 10.98 C ATOM 930 O TYR A 59 9.823 4.062 5.074 1.00 12.95 O ATOM 931 CB TYR A 59 8.049 5.221 3.105 1.00 7.94 C ATOM 932 CG TYR A 59 7.106 6.390 2.767 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.806 7.205 3.854 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.491 6.590 1.525 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.873 8.286 3.708 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.532 7.624 1.402 1.00 6.52 C ATOM 937 CZ TYR A 59 5.310 8.510 2.465 1.00 6.76 C ATOM 938 OH TYR A 59 4.431 9.625 2.324 1.00 7.63 O ATOM 0 H TYR A 59 9.554 5.678 1.224 1.00 7.97 H new ATOM 0 HA TYR A 59 9.632 6.640 3.955 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.037 4.490 2.296 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.698 4.710 4.002 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.276 7.024 4.809 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.743 5.968 0.679 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.616 8.911 4.551 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.970 7.730 0.486 1.00 6.52 H new ATOM 0 HH TYR A 59 4.946 10.457 2.383 1.00 7.63 H new ATOM 948 N ASN A 60 11.475 4.221 3.483 1.00 12.38 N ATOM 949 CA ASN A 60 12.307 3.146 4.089 1.00 13.94 C ATOM 950 C ASN A 60 11.647 1.800 4.200 1.00 14.16 C ATOM 951 O ASN A 60 11.701 1.100 5.170 1.00 14.26 O ATOM 952 CB ASN A 60 12.927 3.596 5.404 1.00 19.23 C ATOM 953 CG ASN A 60 13.790 4.808 5.262 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.369 5.958 5.162 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.139 4.601 5.246 1.00 24.09 N ATOM 0 H ASN A 60 11.866 4.636 2.637 1.00 12.38 H new ATOM 0 HA ASN A 60 13.108 2.980 3.369 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.133 3.805 6.120 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.521 2.781 5.816 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.775 5.393 5.152 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.511 3.655 5.328 1.00 24.09 H new ATOM 962 N ILE A 61 10.933 1.333 3.091 1.00 11.08 N ATOM 963 CA ILE A 61 10.214 0.096 2.997 1.00 11.78 C ATOM 964 C ILE A 61 11.029 -0.950 2.335 1.00 13.74 C ATOM 965 O ILE A 61 11.466 -0.832 1.202 1.00 14.60 O ATOM 966 CB ILE A 61 8.912 0.322 2.326 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.985 1.329 3.080 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.224 -1.049 2.203 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.814 1.901 2.299 1.00 11.42 C ATOM 0 H ILE A 61 10.876 1.875 2.229 1.00 11.08 H new ATOM 0 HA ILE A 61 10.006 -0.276 4.000 1.00 11.78 H new ATOM 0 HB ILE A 61 9.096 0.776 1.352 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.591 0.830 3.965 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.599 2.160 3.429 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.258 -0.929 1.713 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.850 -1.718 1.613 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.076 -1.472 3.196 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.251 2.584 2.935 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.186 2.440 1.428 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.163 1.090 1.973 1.00 11.42 H new ATOM 981 N GLN A 62 11.268 -2.053 2.991 1.00 13.97 N ATOM 982 CA GLN A 62 12.297 -2.980 2.618 1.00 15.52 C ATOM 983 C GLN A 62 11.684 -4.285 2.486 1.00 13.94 C ATOM 984 O GLN A 62 10.463 -4.478 2.704 1.00 12.15 O ATOM 985 CB GLN A 62 13.458 -3.005 3.704 1.00 19.53 C ATOM 986 CG GLN A 62 14.268 -1.656 3.667 1.00 26.38 C ATOM 987 CD GLN A 62 15.194 -1.489 4.886 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.710 -1.262 6.013 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.487 -1.537 4.678 1.00 32.71 N ATOM 0 H GLN A 62 10.741 -2.337 3.817 1.00 13.97 H new ATOM 0 HA GLN A 62 12.752 -2.680 1.674 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.034 -3.155 4.697 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.127 -3.844 3.513 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.864 -1.619 2.755 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.571 -0.819 3.627 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.846 -1.725 3.742 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.134 -1.386 5.452 1.00 32.71 H new ATOM 998 N LYS A 63 12.446 -5.327 2.014 1.00 11.73 N ATOM 999 CA LYS A 63 11.928 -6.648 1.624 1.00 11.97 C ATOM 1000 C LYS A 63 11.268 -7.332 2.824 1.00 10.41 C ATOM 1001 O LYS A 63 11.852 -7.552 3.902 1.00 9.59 O ATOM 1002 CB LYS A 63 13.102 -7.465 1.017 1.00 13.73 C ATOM 1003 CG LYS A 63 12.781 -8.921 0.786 1.00 16.98 C ATOM 1004 CD LYS A 63 13.892 -9.777 0.076 1.00 20.19 C ATOM 1005 CE LYS A 63 15.159 -10.315 0.879 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.657 -11.435 1.819 1.00 25.97 N ATOM 0 H LYS A 63 13.457 -5.251 1.899 1.00 11.73 H new ATOM 0 HA LYS A 63 11.149 -6.562 0.866 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.394 -7.013 0.069 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.963 -7.394 1.682 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.560 -9.379 1.750 1.00 16.98 H new ATOM 0 HG3 LYS A 63 11.871 -8.980 0.189 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.396 -10.646 -0.356 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.271 -9.181 -0.754 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.916 -10.697 0.194 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.623 -9.511 1.451 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.457 -11.815 2.364 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 13.946 -11.048 2.472 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.230 -12.197 1.254 1.00 25.97 H new ATOM 1020 N GLU A 64 9.993 -7.610 2.667 1.00 10.04 N ATOM 1021 CA GLU A 64 9.139 -8.238 3.623 1.00 10.94 C ATOM 1022 C GLU A 64 8.831 -7.289 4.779 1.00 9.74 C ATOM 1023 O GLU A 64 8.546 -7.866 5.872 1.00 9.42 O ATOM 1024 CB GLU A 64 9.647 -9.611 4.126 1.00 18.31 C ATOM 1025 CG GLU A 64 9.605 -10.769 3.084 1.00 24.16 C ATOM 1026 CD GLU A 64 10.034 -12.150 3.542 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.213 -12.200 4.099 1.00 32.61 O ATOM 1028 OE2 GLU A 64 9.308 -13.153 3.383 1.00 31.72 O ATOM 0 H GLU A 64 9.501 -7.383 1.803 1.00 10.04 H new ATOM 0 HA GLU A 64 8.212 -8.461 3.095 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.674 -9.494 4.471 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.052 -9.903 4.991 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.585 -10.843 2.707 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.236 -10.485 2.242 1.00 24.16 H new ATOM 1035 N SER A 65 8.900 -5.978 4.585 1.00 6.85 N ATOM 1036 CA SER A 65 8.171 -5.036 5.344 1.00 6.90 C ATOM 1037 C SER A 65 6.666 -5.116 5.289 1.00 4.72 C ATOM 1038 O SER A 65 6.073 -5.317 4.248 1.00 3.91 O ATOM 1039 CB SER A 65 8.677 -3.607 5.139 1.00 7.28 C ATOM 1040 OG SER A 65 9.987 -3.425 5.671 1.00 10.56 O ATOM 0 H SER A 65 9.489 -5.554 3.868 1.00 6.85 H new ATOM 0 HA SER A 65 8.389 -5.345 6.366 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.682 -3.373 4.074 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.991 -2.907 5.616 1.00 7.28 H new ATOM 0 HG SER A 65 10.152 -2.470 5.814 1.00 10.56 H new ATOM 1046 N THR A 66 6.023 -4.900 6.454 1.00 4.48 N ATOM 1047 CA THR A 66 4.612 -4.963 6.601 1.00 3.80 C ATOM 1048 C THR A 66 3.957 -3.626 6.480 1.00 4.60 C ATOM 1049 O THR A 66 4.362 -2.742 7.225 1.00 5.33 O ATOM 1050 CB THR A 66 4.179 -5.619 7.922 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.647 -6.946 8.005 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.673 -5.722 8.034 1.00 3.40 C ATOM 0 H THR A 66 6.510 -4.674 7.321 1.00 4.48 H new ATOM 0 HA THR A 66 4.277 -5.591 5.775 1.00 3.80 H new ATOM 0 HB THR A 66 4.592 -4.988 8.709 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.360 -7.341 8.855 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.410 -6.191 8.982 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.236 -4.725 7.989 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.287 -6.324 7.212 1.00 3.40 H new ATOM 1060 N LEU A 67 2.931 -3.492 5.610 1.00 4.17 N ATOM 1061 CA LEU A 67 2.344 -2.195 5.355 1.00 3.85 C ATOM 1062 C LEU A 67 0.877 -2.460 5.719 1.00 3.80 C ATOM 1063 O LEU A 67 0.367 -3.562 5.541 1.00 5.54 O ATOM 1064 CB LEU A 67 2.430 -1.718 3.879 1.00 7.18 C ATOM 1065 CG LEU A 67 3.844 -1.805 3.293 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.789 -1.170 1.873 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.984 -1.210 4.099 1.00 11.66 C ATOM 0 H LEU A 67 2.511 -4.263 5.090 1.00 4.17 H new ATOM 0 HA LEU A 67 2.855 -1.408 5.909 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.755 -2.320 3.270 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.082 -0.687 3.817 1.00 7.18 H new ATOM 0 HG LEU A 67 4.099 -2.865 3.292 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.778 -1.211 1.418 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.082 -1.722 1.255 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.468 -0.131 1.951 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.921 -1.346 3.559 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.805 -0.146 4.252 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.046 -1.710 5.066 1.00 11.66 H new ATOM 1079 N HIS A 68 0.166 -1.505 6.336 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.164 -1.697 6.859 1.00 4.17 C ATOM 1081 C HIS A 68 -2.186 -0.960 6.036 1.00 5.32 C ATOM 1082 O HIS A 68 -1.941 0.175 5.703 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.196 -1.112 8.328 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.074 -1.635 9.210 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.238 -1.129 9.212 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.074 -2.692 10.124 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.960 -1.846 10.108 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.204 -2.752 10.678 1.00 16.30 N ATOM 0 H HIS A 68 0.522 -0.560 6.481 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.403 -2.760 6.838 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.134 -0.025 8.280 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.154 -1.356 8.788 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.585 -0.359 8.640 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.906 -3.340 10.357 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.008 -1.693 10.321 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.283 -1.667 5.667 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.095 -1.068 4.600 1.00 3.97 C ATOM 1098 C LEU A 69 -5.370 -0.668 5.319 1.00 5.07 C ATOM 1099 O LEU A 69 -5.950 -1.497 6.064 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.459 -2.193 3.603 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.511 -1.878 2.536 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.071 -0.643 1.675 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.816 -3.070 1.552 1.00 9.96 C ATOM 0 H LEU A 69 -3.597 -2.559 6.049 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.603 -0.248 4.077 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.545 -2.500 3.094 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.808 -3.051 4.177 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.422 -1.672 3.097 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.831 -0.435 0.922 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.952 0.227 2.321 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.123 -0.862 1.183 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.571 -2.761 0.829 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.903 -3.350 1.026 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.185 -3.925 2.119 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.811 0.551 5.212 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.064 1.058 5.713 1.00 6.26 C ATOM 1117 C VAL A 70 -7.850 1.456 4.534 1.00 9.22 C ATOM 1118 O VAL A 70 -7.422 2.218 3.682 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.838 2.157 6.827 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.032 3.129 6.890 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.598 1.368 8.162 1.00 8.54 C ATOM 0 H VAL A 70 -5.268 1.273 4.738 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.646 0.311 6.253 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.979 2.794 6.617 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.853 3.876 7.664 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.148 3.625 5.927 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.941 2.574 7.124 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.434 2.073 8.977 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.471 0.754 8.384 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.722 0.728 8.054 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.114 1.001 4.384 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.937 1.257 3.224 1.00 16.06 C ATOM 1133 C LEU A 71 -11.032 2.192 3.691 1.00 18.09 C ATOM 1134 O LEU A 71 -11.755 1.997 4.658 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.625 -0.089 2.791 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.615 -1.152 2.562 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.496 -2.397 2.421 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.817 -0.902 1.310 1.00 19.57 C ATOM 0 H LEU A 71 -9.582 0.435 5.092 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.354 1.667 2.400 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.326 -0.408 3.562 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.204 0.070 1.881 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.869 -1.223 3.353 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.867 -3.270 2.245 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.070 -2.542 3.336 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.178 -2.267 1.581 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.088 -1.702 1.177 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.487 -0.875 0.451 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.297 0.052 1.394 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.190 3.330 2.960 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.162 4.336 3.092 1.00 25.83 C ATOM 1152 C ARG A 72 -13.527 3.781 2.745 1.00 27.74 C ATOM 1153 O ARG A 72 -13.704 3.042 1.780 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.790 5.494 2.150 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.687 6.752 2.139 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.141 7.698 1.079 1.00 34.05 C ATOM 1157 NE ARG A 72 -13.108 8.837 1.036 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.676 10.059 0.570 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.495 10.204 -0.029 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.453 11.173 0.775 1.00 35.02 N ATOM 0 H ARG A 72 -10.548 3.542 2.196 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.197 4.698 4.119 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.777 5.811 2.398 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.760 5.099 1.135 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.720 6.484 1.917 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.685 7.232 3.118 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.139 8.041 1.336 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.070 7.205 0.110 1.00 34.05 H new ATOM 0 HE ARG A 72 -14.071 8.711 1.346 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.884 9.397 -0.153 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.202 11.122 -0.364 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -14.342 11.091 1.269 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.141 12.082 0.433 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.527 4.144 3.587 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.844 3.625 3.413 1.00 30.76 C ATOM 1176 C LEU A 73 -16.788 4.745 3.154 1.00 32.18 C ATOM 1177 O LEU A 73 -16.579 5.808 3.676 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.306 2.734 4.629 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.431 1.525 4.998 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.957 0.818 6.253 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.290 0.528 3.865 1.00 29.11 C ATOM 0 H LEU A 73 -14.418 4.786 4.372 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.839 2.961 2.548 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.380 3.376 5.507 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.311 2.369 4.416 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.439 1.928 5.203 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.316 -0.032 6.487 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.955 1.515 7.091 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.974 0.468 6.074 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.661 -0.302 4.187 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.274 0.151 3.587 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.833 1.017 3.005 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.851 4.539 2.360 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.859 5.572 2.239 1.00 35.33 C ATOM 1195 C ARG A 74 -19.703 5.559 3.452 1.00 36.22 C ATOM 1196 O ARG A 74 -20.133 6.630 3.917 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.758 5.563 1.026 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.041 5.304 -0.312 1.00 38.62 C ATOM 1199 CD ARG A 74 -20.067 5.235 -1.400 1.00 39.75 C ATOM 1200 NE ARG A 74 -19.317 4.889 -2.651 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.598 5.682 -3.397 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.583 6.981 -3.356 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.863 4.985 -4.311 1.00 41.93 N ATOM 0 H ARG A 74 -18.021 3.694 1.815 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.271 6.481 2.113 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.523 4.799 1.165 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.272 6.522 0.966 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.325 6.100 -0.517 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.477 4.372 -0.265 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.823 4.482 -1.177 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -20.587 6.187 -1.507 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.376 3.917 -2.955 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -19.176 7.477 -2.690 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.979 7.504 -3.989 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.923 3.967 -4.344 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.254 5.482 -4.961 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.818 4.373 4.127 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.620 4.121 5.282 1.00 36.07 C ATOM 1219 C GLY A 75 -19.981 4.370 6.610 1.00 36.16 C ATOM 1220 O GLY A 75 -20.522 4.068 7.653 1.00 36.26 O ATOM 0 H GLY A 75 -19.306 3.542 3.829 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.517 4.737 5.215 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.945 3.081 5.250 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.720 4.917 6.656 1.00 36.05 N ATOM 1225 CA GLY A 76 -18.112 5.272 7.907 1.00 36.19 C ATOM 1226 C GLY A 76 -16.843 6.085 7.657 1.00 36.20 C ATOM 1227 O GLY A 76 -17.033 7.252 7.148 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.697 5.642 7.941 1.00 0.00 O ATOM 0 H GLY A 76 -18.145 5.104 5.835 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -18.812 5.850 8.510 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.872 4.372 8.473 1.00 36.19 H new TER 1232 GLY A 76