USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 55 THR OG1 : rot 128:sc= 1.06 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.932 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -158:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 1.01 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 141:sc= -0.0607 (180deg=-0.171) USER MOD Single : A 1 MET N :NH3+ 167:sc= 2.56 (180deg=2.34) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -114:sc= 0.808 (180deg=-1.31!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 2.19 (180deg=1.8) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.88 X(o=-1.9,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= 1.22 K(o=1.2,f=-0.76) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.069 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) 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 90:sc= 0.765 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.767 -7.616 -4.612 1.00 9.67 N ATOM 2 CA MET A 1 11.716 -8.001 -3.203 1.00 10.38 C ATOM 3 C MET A 1 10.287 -8.170 -2.817 1.00 9.62 C ATOM 4 O MET A 1 9.347 -7.752 -3.467 1.00 9.62 O ATOM 5 CB MET A 1 12.314 -6.884 -2.227 1.00 13.77 C ATOM 6 CG MET A 1 11.509 -5.604 -2.199 1.00 16.29 C ATOM 7 SD MET A 1 12.282 -4.335 -1.170 1.00 17.17 S ATOM 8 CE MET A 1 10.816 -3.260 -1.039 1.00 16.11 C ATOM 0 H1 MET A 1 12.723 -7.281 -4.846 1.00 9.67 H new ATOM 0 H2 MET A 1 11.533 -8.438 -5.205 1.00 9.67 H new ATOM 0 H3 MET A 1 11.081 -6.855 -4.789 1.00 9.67 H new ATOM 0 HA MET A 1 12.307 -8.911 -3.101 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.370 -7.289 -1.217 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.334 -6.654 -2.535 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.395 -5.226 -3.215 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.508 -5.814 -1.823 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.753 -2.852 -0.030 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.898 -2.443 -1.756 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.919 -3.841 -1.252 1.00 16.11 H new ATOM 20 N GLN A 2 10.016 -8.788 -1.610 1.00 9.27 N ATOM 21 CA GLN A 2 8.722 -8.937 -0.997 1.00 9.07 C ATOM 22 C GLN A 2 8.419 -7.771 -0.145 1.00 8.72 C ATOM 23 O GLN A 2 9.293 -7.309 0.593 1.00 8.22 O ATOM 24 CB GLN A 2 8.617 -10.222 -0.081 1.00 14.46 C ATOM 25 CG GLN A 2 8.539 -11.482 -0.889 1.00 17.01 C ATOM 26 CD GLN A 2 8.226 -12.639 0.066 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.961 -13.002 0.986 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.021 -13.265 -0.196 1.00 19.49 N ATOM 0 H GLN A 2 10.758 -9.201 -1.045 1.00 9.27 H new ATOM 0 HA GLN A 2 8.015 -9.029 -1.821 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.483 -10.268 0.580 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.735 -10.143 0.554 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.765 -11.398 -1.652 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.481 -11.661 -1.408 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.435 -12.941 -0.965 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.719 -14.051 0.380 1.00 19.49 H new ATOM 37 N ILE A 3 7.151 -7.382 -0.208 1.00 5.87 N ATOM 38 CA ILE A 3 6.542 -6.705 0.921 1.00 5.07 C ATOM 39 C ILE A 3 5.345 -7.523 1.315 1.00 4.01 C ATOM 40 O ILE A 3 4.816 -8.314 0.580 1.00 4.61 O ATOM 41 CB ILE A 3 6.182 -5.256 0.709 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.128 -5.013 -0.422 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.544 -4.509 0.473 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.725 -3.489 -0.505 1.00 10.83 C ATOM 0 H ILE A 3 6.539 -7.521 -1.012 1.00 5.87 H new ATOM 0 HA ILE A 3 7.286 -6.644 1.715 1.00 5.07 H new ATOM 0 HB ILE A 3 5.666 -4.861 1.584 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.536 -5.337 -1.379 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.241 -5.617 -0.233 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.354 -3.448 0.312 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.184 -4.634 1.347 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.041 -4.926 -0.403 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.992 -3.349 -1.299 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.295 -3.174 0.446 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.610 -2.890 -0.719 1.00 10.83 H new ATOM 56 N PHE A 4 4.744 -7.217 2.515 1.00 4.55 N ATOM 57 CA PHE A 4 3.507 -7.775 2.966 1.00 4.68 C ATOM 58 C PHE A 4 2.516 -6.600 3.063 1.00 5.30 C ATOM 59 O PHE A 4 2.902 -5.463 3.343 1.00 5.58 O ATOM 60 CB PHE A 4 3.719 -8.309 4.470 1.00 4.83 C ATOM 61 CG PHE A 4 4.576 -9.564 4.496 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.947 -9.589 4.454 1.00 8.34 C ATOM 63 CD2 PHE A 4 3.868 -10.734 4.811 1.00 6.69 C ATOM 64 CE1 PHE A 4 6.655 -10.778 4.738 1.00 10.61 C ATOM 65 CE2 PHE A 4 4.547 -11.913 5.086 1.00 9.10 C ATOM 66 CZ PHE A 4 5.898 -11.944 5.106 1.00 8.90 C ATOM 0 H PHE A 4 5.150 -6.557 3.178 1.00 4.55 H new ATOM 0 HA PHE A 4 3.165 -8.571 2.305 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.191 -7.532 5.071 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.750 -8.518 4.924 1.00 4.83 H new ATOM 0 HD1 PHE A 4 6.491 -8.691 4.201 1.00 8.34 H new ATOM 0 HD2 PHE A 4 2.789 -10.717 4.840 1.00 6.69 H new ATOM 0 HE1 PHE A 4 7.733 -10.810 4.680 1.00 10.61 H new ATOM 0 HE2 PHE A 4 3.989 -12.816 5.286 1.00 9.10 H new ATOM 0 HZ PHE A 4 6.411 -12.848 5.399 1.00 8.90 H new ATOM 76 N VAL A 5 1.250 -6.972 2.825 1.00 4.44 N ATOM 77 CA VAL A 5 0.155 -6.082 3.112 1.00 3.87 C ATOM 78 C VAL A 5 -0.798 -6.769 4.117 1.00 4.93 C ATOM 79 O VAL A 5 -1.127 -7.953 4.001 1.00 6.84 O ATOM 80 CB VAL A 5 -0.584 -5.783 1.834 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.779 -4.857 2.012 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.381 -5.198 0.799 1.00 9.13 C ATOM 0 H VAL A 5 0.978 -7.876 2.439 1.00 4.44 H new ATOM 0 HA VAL A 5 0.528 -5.152 3.540 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.987 -6.734 1.486 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.257 -4.691 1.047 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.494 -5.313 2.697 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.443 -3.904 2.419 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.160 -4.984 -0.123 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.816 -4.277 1.187 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.175 -5.916 0.595 1.00 9.13 H new ATOM 92 N LYS A 6 -1.259 -5.984 5.130 1.00 6.04 N ATOM 93 CA LYS A 6 -2.115 -6.512 6.112 1.00 6.12 C ATOM 94 C LYS A 6 -3.389 -5.711 6.065 1.00 6.57 C ATOM 95 O LYS A 6 -3.476 -4.488 5.985 1.00 5.76 O ATOM 96 CB LYS A 6 -1.414 -6.297 7.485 1.00 7.45 C ATOM 97 CG LYS A 6 -2.163 -6.933 8.678 1.00 11.12 C ATOM 98 CD LYS A 6 -2.312 -8.489 8.754 1.00 14.54 C ATOM 99 CE LYS A 6 -0.932 -9.243 8.848 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.144 -10.689 9.056 1.00 20.55 N ATOM 0 H LYS A 6 -1.028 -4.997 5.247 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.331 -7.569 5.958 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.408 -6.713 7.437 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.308 -5.227 7.664 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.661 -6.608 9.589 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.166 -6.508 8.698 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.919 -8.747 9.622 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.850 -8.839 7.873 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.360 -9.081 7.934 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.343 -8.834 9.669 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.291 -11.108 9.478 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.953 -10.833 9.694 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.338 -11.146 8.142 1.00 20.55 H new ATOM 114 N THR A 7 -4.524 -6.378 5.905 1.00 7.41 N ATOM 115 CA THR A 7 -5.879 -5.792 5.987 1.00 7.48 C ATOM 116 C THR A 7 -6.417 -5.669 7.329 1.00 8.75 C ATOM 117 O THR A 7 -5.871 -6.188 8.310 1.00 8.58 O ATOM 118 CB THR A 7 -6.951 -6.396 5.053 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.622 -7.526 5.573 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.131 -6.928 3.818 1.00 9.17 C ATOM 0 H THR A 7 -4.540 -7.378 5.707 1.00 7.41 H new ATOM 0 HA THR A 7 -5.668 -4.791 5.610 1.00 7.48 H new ATOM 0 HB THR A 7 -7.706 -5.634 4.861 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.282 -7.843 4.922 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.812 -7.378 3.095 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.600 -6.099 3.349 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.412 -7.676 4.153 1.00 9.17 H new ATOM 128 N LEU A 8 -7.570 -4.977 7.422 1.00 9.84 N ATOM 129 CA LEU A 8 -8.270 -4.695 8.679 1.00 14.15 C ATOM 130 C LEU A 8 -8.841 -5.971 9.300 1.00 17.37 C ATOM 131 O LEU A 8 -9.000 -6.027 10.493 1.00 17.01 O ATOM 132 CB LEU A 8 -9.491 -3.696 8.472 1.00 16.63 C ATOM 133 CG LEU A 8 -9.124 -2.179 8.217 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.442 -1.400 8.164 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.209 -1.485 9.234 1.00 18.59 C ATOM 0 H LEU A 8 -8.046 -4.593 6.605 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.523 -4.246 9.334 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.083 -4.051 7.628 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.129 -3.749 9.354 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.544 -2.181 7.294 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.234 -0.344 7.989 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.061 -1.787 7.355 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.970 -1.514 9.111 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.045 -0.451 8.930 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.678 -1.504 10.218 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.253 -2.006 9.278 1.00 18.59 H new ATOM 147 N THR A 9 -9.090 -7.070 8.559 1.00 18.33 N ATOM 148 CA THR A 9 -9.629 -8.288 9.199 1.00 19.24 C ATOM 149 C THR A 9 -8.478 -9.274 9.320 1.00 19.48 C ATOM 150 O THR A 9 -8.642 -10.483 9.656 1.00 23.14 O ATOM 151 CB THR A 9 -10.777 -8.961 8.445 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.345 -9.063 7.046 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.908 -7.974 8.478 1.00 19.70 C ATOM 0 H THR A 9 -8.934 -7.141 7.554 1.00 18.33 H new ATOM 0 HA THR A 9 -10.050 -7.988 10.159 1.00 19.24 H new ATOM 0 HB THR A 9 -11.052 -9.931 8.859 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.049 -9.492 6.517 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.769 -8.390 7.954 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.179 -7.765 9.513 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.598 -7.050 7.991 1.00 19.70 H new ATOM 161 N GLY A 10 -7.261 -8.809 9.112 1.00 19.43 N ATOM 162 CA GLY A 10 -6.113 -9.599 9.380 1.00 18.74 C ATOM 163 C GLY A 10 -5.661 -10.477 8.218 1.00 17.62 C ATOM 164 O GLY A 10 -4.793 -11.367 8.332 1.00 19.74 O ATOM 0 H GLY A 10 -7.059 -7.876 8.754 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.292 -8.940 9.661 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.319 -10.236 10.240 1.00 18.74 H new ATOM 168 N LYS A 11 -6.308 -10.260 7.039 1.00 13.56 N ATOM 169 CA LYS A 11 -5.905 -10.869 5.792 1.00 11.91 C ATOM 170 C LYS A 11 -4.500 -10.439 5.448 1.00 10.18 C ATOM 171 O LYS A 11 -4.149 -9.273 5.501 1.00 9.10 O ATOM 172 CB LYS A 11 -6.924 -10.820 4.657 1.00 13.43 C ATOM 173 CG LYS A 11 -6.624 -11.844 3.508 1.00 16.69 C ATOM 174 CD LYS A 11 -7.310 -11.617 2.194 1.00 17.92 C ATOM 175 CE LYS A 11 -6.796 -12.432 1.080 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.607 -12.225 -0.148 1.00 21.93 N ATOM 0 H LYS A 11 -7.123 -9.652 6.953 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.882 -11.947 5.951 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.917 -11.019 5.061 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.945 -9.813 4.240 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.548 -11.849 3.332 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.893 -12.839 3.863 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.374 -11.822 2.315 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.217 -10.564 1.929 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.757 -12.170 0.882 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.812 -13.486 1.358 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.104 -13.106 -0.389 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.303 -11.470 0.019 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.983 -11.953 -0.934 1.00 21.93 H new ATOM 190 N THR A 12 -3.676 -11.382 5.015 1.00 9.63 N ATOM 191 CA THR A 12 -2.273 -11.168 4.685 1.00 9.85 C ATOM 192 C THR A 12 -2.102 -11.355 3.193 1.00 11.66 C ATOM 193 O THR A 12 -2.533 -12.311 2.559 1.00 12.33 O ATOM 194 CB THR A 12 -1.324 -12.084 5.448 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.719 -12.259 6.829 1.00 10.91 O ATOM 196 CG2 THR A 12 0.089 -11.419 5.455 1.00 9.63 C ATOM 0 H THR A 12 -3.974 -12.348 4.879 1.00 9.63 H new ATOM 0 HA THR A 12 -2.009 -10.154 4.986 1.00 9.85 H new ATOM 0 HB THR A 12 -1.334 -13.057 4.956 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.083 -12.854 7.278 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.788 -12.056 5.996 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.435 -11.289 4.430 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.031 -10.447 5.944 1.00 9.63 H new ATOM 204 N ILE A 13 -1.539 -10.311 2.559 1.00 10.42 N ATOM 205 CA ILE A 13 -1.295 -10.381 1.090 1.00 11.84 C ATOM 206 C ILE A 13 0.179 -10.096 0.939 1.00 10.55 C ATOM 207 O ILE A 13 0.863 -9.473 1.744 1.00 11.92 O ATOM 208 CB ILE A 13 -2.100 -9.378 0.278 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.601 -9.618 0.597 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.857 -9.663 -1.223 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.291 -8.820 1.685 1.00 16.46 C ATOM 0 H ILE A 13 -1.252 -9.441 3.008 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.604 -11.354 0.708 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.813 -8.354 0.515 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.157 -9.452 -0.326 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.712 -10.672 0.851 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.426 -8.954 -1.825 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.795 -9.558 -1.446 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.179 -10.678 -1.457 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.333 -9.130 1.758 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.792 -8.997 2.638 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.244 -7.758 1.443 1.00 16.46 H new ATOM 223 N THR A 14 0.822 -10.795 -0.047 1.00 9.39 N ATOM 224 CA THR A 14 2.256 -10.577 -0.280 1.00 9.63 C ATOM 225 C THR A 14 2.365 -10.058 -1.703 1.00 11.20 C ATOM 226 O THR A 14 1.739 -10.622 -2.606 1.00 11.63 O ATOM 227 CB THR A 14 3.223 -11.704 0.059 1.00 10.38 C ATOM 228 OG1 THR A 14 3.049 -12.865 -0.696 1.00 16.30 O ATOM 229 CG2 THR A 14 3.165 -12.104 1.578 1.00 11.66 C ATOM 0 H THR A 14 0.380 -11.481 -0.659 1.00 9.39 H new ATOM 0 HA THR A 14 2.612 -9.855 0.455 1.00 9.63 H new ATOM 0 HB THR A 14 4.196 -11.281 -0.189 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.707 -13.537 -0.420 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.872 -12.911 1.769 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.424 -11.241 2.192 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.158 -12.437 1.828 1.00 11.66 H new ATOM 237 N LEU A 15 3.270 -9.065 -1.947 1.00 8.29 N ATOM 238 CA LEU A 15 3.543 -8.486 -3.274 1.00 9.03 C ATOM 239 C LEU A 15 5.069 -8.617 -3.525 1.00 8.59 C ATOM 240 O LEU A 15 5.825 -8.541 -2.556 1.00 7.79 O ATOM 241 CB LEU A 15 3.277 -6.935 -3.210 1.00 11.08 C ATOM 242 CG LEU A 15 1.820 -6.502 -2.812 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.722 -4.894 -2.923 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.749 -7.152 -3.622 1.00 15.27 C ATOM 0 H LEU A 15 3.833 -8.646 -1.207 1.00 8.29 H new ATOM 0 HA LEU A 15 2.932 -8.979 -4.031 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.973 -6.496 -2.495 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.509 -6.506 -4.185 1.00 11.08 H new ATOM 0 HG LEU A 15 1.644 -6.838 -1.790 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.717 -4.571 -2.651 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.445 -4.438 -2.247 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.937 -4.586 -3.946 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.226 -6.800 -3.285 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.883 -6.898 -4.673 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.806 -8.234 -3.500 1.00 15.27 H new ATOM 256 N GLU A 16 5.464 -8.756 -4.837 1.00 11.04 N ATOM 257 CA GLU A 16 6.845 -8.828 -5.226 1.00 11.50 C ATOM 258 C GLU A 16 7.077 -7.545 -6.049 1.00 10.13 C ATOM 259 O GLU A 16 6.832 -7.358 -7.237 1.00 9.83 O ATOM 260 CB GLU A 16 7.217 -10.021 -6.147 1.00 17.22 C ATOM 261 CG GLU A 16 8.549 -10.020 -6.906 1.00 23.33 C ATOM 262 CD GLU A 16 9.791 -10.432 -6.163 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.729 -11.623 -5.661 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.815 -9.739 -6.098 1.00 28.90 O ATOM 0 H GLU A 16 4.810 -8.817 -5.618 1.00 11.04 H new ATOM 0 HA GLU A 16 7.446 -8.948 -4.325 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.194 -10.922 -5.534 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.423 -10.119 -6.887 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.442 -10.680 -7.767 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.711 -9.014 -7.293 1.00 23.33 H new ATOM 271 N VAL A 17 7.594 -6.522 -5.341 1.00 8.99 N ATOM 272 CA VAL A 17 7.842 -5.167 -5.773 1.00 8.85 C ATOM 273 C VAL A 17 9.283 -4.886 -5.943 1.00 8.04 C ATOM 274 O VAL A 17 10.192 -5.616 -5.418 1.00 8.99 O ATOM 275 CB VAL A 17 7.278 -4.149 -4.777 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.738 -4.300 -4.728 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.009 -4.380 -3.382 1.00 10.54 C ATOM 0 H VAL A 17 7.867 -6.654 -4.367 1.00 8.99 H new ATOM 0 HA VAL A 17 7.340 -5.070 -6.736 1.00 8.85 H new ATOM 0 HB VAL A 17 7.468 -3.117 -5.070 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.324 -3.580 -4.022 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.323 -4.116 -5.719 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.481 -5.310 -4.409 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.628 -3.668 -2.649 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.818 -5.395 -3.035 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.082 -4.235 -3.505 1.00 10.54 H new ATOM 287 N GLU A 18 9.580 -3.780 -6.598 1.00 7.29 N ATOM 288 CA GLU A 18 10.922 -3.130 -6.608 1.00 7.08 C ATOM 289 C GLU A 18 10.793 -2.015 -5.606 1.00 6.45 C ATOM 290 O GLU A 18 9.643 -1.625 -5.328 1.00 5.28 O ATOM 291 CB GLU A 18 11.322 -2.686 -8.046 1.00 10.28 C ATOM 292 CG GLU A 18 11.458 -3.857 -9.004 1.00 12.65 C ATOM 293 CD GLU A 18 11.809 -3.242 -10.367 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.124 -2.303 -10.829 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.794 -3.743 -10.964 1.00 18.17 O ATOM 0 H GLU A 18 8.892 -3.278 -7.159 1.00 7.29 H new ATOM 0 HA GLU A 18 11.740 -3.793 -6.326 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.573 -1.993 -8.430 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.267 -2.144 -8.005 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.236 -4.545 -8.673 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.531 -4.427 -9.059 1.00 12.65 H new ATOM 302 N PRO A 19 11.834 -1.415 -4.902 1.00 7.24 N ATOM 303 CA PRO A 19 11.707 -0.233 -4.109 1.00 7.07 C ATOM 304 C PRO A 19 11.330 1.044 -4.851 1.00 6.65 C ATOM 305 O PRO A 19 10.945 2.028 -4.258 1.00 6.37 O ATOM 306 CB PRO A 19 13.136 -0.111 -3.506 1.00 7.61 C ATOM 307 CG PRO A 19 14.130 -0.869 -4.432 1.00 8.16 C ATOM 308 CD PRO A 19 13.228 -1.887 -5.022 1.00 7.49 C ATOM 0 HA PRO A 19 10.884 -0.329 -3.401 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.423 0.937 -3.420 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.160 -0.531 -2.501 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.571 -0.219 -5.187 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.954 -1.317 -3.877 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.481 -2.054 -6.069 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.349 -2.841 -4.509 1.00 7.49 H new ATOM 316 N SER A 20 11.358 1.066 -6.205 1.00 6.80 N ATOM 317 CA SER A 20 11.127 2.186 -7.104 1.00 6.28 C ATOM 318 C SER A 20 9.761 2.198 -7.725 1.00 8.45 C ATOM 319 O SER A 20 9.333 3.037 -8.490 1.00 7.26 O ATOM 320 CB SER A 20 12.168 2.159 -8.263 1.00 8.57 C ATOM 321 OG SER A 20 12.443 0.824 -8.729 1.00 11.13 O ATOM 0 H SER A 20 11.563 0.215 -6.728 1.00 6.80 H new ATOM 0 HA SER A 20 11.223 3.079 -6.486 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.798 2.761 -9.093 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.096 2.620 -7.924 1.00 8.57 H new ATOM 0 HG SER A 20 13.099 0.860 -9.456 1.00 11.13 H new ATOM 327 N ASP A 21 8.911 1.262 -7.195 1.00 7.50 N ATOM 328 CA ASP A 21 7.508 1.204 -7.436 1.00 7.70 C ATOM 329 C ASP A 21 6.815 2.277 -6.604 1.00 7.08 C ATOM 330 O ASP A 21 7.299 2.598 -5.539 1.00 8.11 O ATOM 331 CB ASP A 21 6.882 -0.209 -7.177 1.00 11.00 C ATOM 332 CG ASP A 21 7.310 -1.240 -8.248 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.130 -0.788 -9.116 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.953 -2.440 -8.257 1.00 14.36 O ATOM 0 H ASP A 21 9.237 0.522 -6.573 1.00 7.50 H new ATOM 0 HA ASP A 21 7.350 1.394 -8.498 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.184 -0.564 -6.192 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.795 -0.127 -7.167 1.00 11.00 H new ATOM 339 N THR A 22 5.694 2.867 -7.144 1.00 5.37 N ATOM 340 CA THR A 22 5.097 4.040 -6.426 1.00 6.01 C ATOM 341 C THR A 22 4.028 3.532 -5.552 1.00 8.01 C ATOM 342 O THR A 22 3.535 2.468 -5.790 1.00 8.11 O ATOM 343 CB THR A 22 4.516 5.078 -7.400 1.00 8.92 C ATOM 344 OG1 THR A 22 3.723 4.515 -8.404 1.00 10.22 O ATOM 345 CG2 THR A 22 5.735 5.675 -8.141 1.00 9.65 C ATOM 0 H THR A 22 5.222 2.578 -8.001 1.00 5.37 H new ATOM 0 HA THR A 22 5.878 4.540 -5.853 1.00 6.01 H new ATOM 0 HB THR A 22 3.909 5.780 -6.828 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.383 5.224 -8.988 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.395 6.426 -8.855 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.408 6.139 -7.420 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.262 4.882 -8.672 1.00 9.65 H new ATOM 353 N ILE A 23 3.649 4.313 -4.547 1.00 8.32 N ATOM 354 CA ILE A 23 2.635 4.035 -3.525 1.00 9.92 C ATOM 355 C ILE A 23 1.331 3.800 -4.281 1.00 10.01 C ATOM 356 O ILE A 23 0.589 2.834 -4.092 1.00 8.71 O ATOM 357 CB ILE A 23 2.535 5.108 -2.520 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.788 5.472 -1.731 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.394 4.742 -1.525 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.595 4.393 -0.939 1.00 12.30 C ATOM 0 H ILE A 23 4.074 5.230 -4.411 1.00 8.32 H new ATOM 0 HA ILE A 23 2.901 3.156 -2.938 1.00 9.92 H new ATOM 0 HB ILE A 23 2.340 6.005 -3.107 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.482 5.935 -2.433 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.499 6.241 -1.015 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.303 5.525 -0.772 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.453 4.650 -2.068 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.626 3.795 -1.038 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.448 4.863 -0.450 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.951 3.937 -0.187 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.949 3.626 -1.627 1.00 12.30 H new ATOM 372 N GLU A 24 1.086 4.650 -5.289 1.00 9.54 N ATOM 373 CA GLU A 24 -0.056 4.543 -6.161 1.00 11.81 C ATOM 374 C GLU A 24 -0.072 3.192 -6.983 1.00 11.14 C ATOM 375 O GLU A 24 -1.119 2.580 -7.187 1.00 10.62 O ATOM 376 CB GLU A 24 0.124 5.683 -7.139 1.00 19.24 C ATOM 377 CG GLU A 24 -0.977 5.899 -8.147 1.00 27.76 C ATOM 378 CD GLU A 24 -0.813 7.183 -8.969 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.023 7.170 -9.928 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.426 8.248 -8.660 1.00 36.51 O ATOM 0 H GLU A 24 1.695 5.438 -5.511 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.981 4.570 -5.585 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.246 6.603 -6.568 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.054 5.519 -7.683 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.011 5.046 -8.824 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.934 5.931 -7.626 1.00 27.76 H new ATOM 387 N ASN A 25 1.065 2.768 -7.498 1.00 9.43 N ATOM 388 CA ASN A 25 1.269 1.408 -8.101 1.00 10.96 C ATOM 389 C ASN A 25 1.076 0.247 -7.152 1.00 9.68 C ATOM 390 O ASN A 25 0.479 -0.800 -7.532 1.00 9.33 O ATOM 391 CB ASN A 25 2.620 1.279 -8.914 1.00 16.78 C ATOM 392 CG ASN A 25 2.648 0.039 -9.791 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.158 -1.010 -9.303 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.167 0.061 -11.063 1.00 24.70 N ATOM 0 H ASN A 25 1.905 3.347 -7.524 1.00 9.43 H new ATOM 0 HA ASN A 25 0.450 1.330 -8.816 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.753 2.164 -9.536 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.459 1.249 -8.218 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.214 -0.778 -11.641 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.759 0.917 -11.439 1.00 24.70 H new ATOM 401 N VAL A 26 1.497 0.288 -5.867 1.00 6.52 N ATOM 402 CA VAL A 26 1.153 -0.705 -4.833 1.00 5.53 C ATOM 403 C VAL A 26 -0.375 -0.883 -4.683 1.00 4.42 C ATOM 404 O VAL A 26 -0.862 -2.020 -4.602 1.00 3.40 O ATOM 405 CB VAL A 26 1.738 -0.354 -3.487 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.267 -1.334 -2.370 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.244 -0.422 -3.518 1.00 8.12 C ATOM 0 H VAL A 26 2.100 1.032 -5.516 1.00 6.52 H new ATOM 0 HA VAL A 26 1.589 -1.644 -5.174 1.00 5.53 H new ATOM 0 HB VAL A 26 1.393 0.657 -3.268 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.713 -1.043 -1.419 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.181 -1.297 -2.288 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.578 -2.348 -2.621 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.640 -0.165 -2.536 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.557 -1.432 -3.782 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.625 0.281 -4.258 1.00 8.12 H new ATOM 417 N LYS A 27 -1.144 0.252 -4.722 1.00 2.64 N ATOM 418 CA LYS A 27 -2.573 0.287 -4.684 1.00 4.14 C ATOM 419 C LYS A 27 -3.267 -0.338 -5.923 1.00 5.58 C ATOM 420 O LYS A 27 -4.315 -0.966 -5.806 1.00 4.11 O ATOM 421 CB LYS A 27 -3.117 1.733 -4.539 1.00 3.97 C ATOM 422 CG LYS A 27 -2.690 2.469 -3.292 1.00 7.45 C ATOM 423 CD LYS A 27 -3.270 3.868 -3.056 1.00 9.02 C ATOM 424 CE LYS A 27 -2.790 4.360 -1.662 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.286 5.708 -1.313 1.00 15.47 N ATOM 0 H LYS A 27 -0.731 1.183 -4.783 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.814 -0.316 -3.809 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.799 2.310 -5.407 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.206 1.696 -4.563 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.947 1.850 -2.433 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.604 2.555 -3.309 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.940 4.554 -3.836 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.359 3.840 -3.096 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.119 3.652 -0.902 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.700 4.365 -1.642 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.687 6.116 -0.567 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.254 6.318 -2.154 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.266 5.640 -0.972 1.00 15.47 H new ATOM 439 N ALA A 28 -2.600 -0.200 -7.075 1.00 6.61 N ATOM 440 CA ALA A 28 -2.989 -0.914 -8.321 1.00 7.74 C ATOM 441 C ALA A 28 -2.864 -2.432 -8.260 1.00 9.17 C ATOM 442 O ALA A 28 -3.705 -3.141 -8.804 1.00 11.45 O ATOM 443 CB ALA A 28 -2.191 -0.380 -9.544 1.00 7.68 C ATOM 0 H ALA A 28 -1.782 0.400 -7.181 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.052 -0.700 -8.434 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.495 -0.920 -10.441 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.393 0.683 -9.674 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.124 -0.529 -9.376 1.00 7.68 H new ATOM 449 N LYS A 29 -1.752 -2.959 -7.705 1.00 8.96 N ATOM 450 CA LYS A 29 -1.386 -4.377 -7.524 1.00 7.90 C ATOM 451 C LYS A 29 -2.376 -5.058 -6.544 1.00 6.92 C ATOM 452 O LYS A 29 -2.861 -6.193 -6.731 1.00 6.87 O ATOM 453 CB LYS A 29 -0.007 -4.478 -6.911 1.00 10.28 C ATOM 454 CG LYS A 29 0.822 -5.618 -7.467 1.00 14.94 C ATOM 455 CD LYS A 29 2.346 -5.473 -7.075 1.00 19.69 C ATOM 456 CE LYS A 29 3.352 -6.200 -8.005 1.00 22.63 C ATOM 457 NZ LYS A 29 3.630 -5.368 -9.167 1.00 24.98 N ATOM 0 H LYS A 29 -1.023 -2.346 -7.340 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.413 -4.862 -8.500 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.524 -3.540 -7.075 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.106 -4.604 -5.833 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.437 -6.566 -7.091 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.726 -5.643 -8.552 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.598 -4.413 -7.056 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.479 -5.850 -6.061 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.276 -6.410 -7.466 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.943 -7.159 -8.321 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.305 -5.856 -9.790 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.746 -5.190 -9.686 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.038 -4.463 -8.856 1.00 24.98 H new ATOM 471 N ILE A 30 -2.770 -4.366 -5.499 1.00 4.57 N ATOM 472 CA ILE A 30 -3.750 -4.923 -4.647 1.00 5.58 C ATOM 473 C ILE A 30 -5.171 -4.686 -5.244 1.00 7.26 C ATOM 474 O ILE A 30 -6.106 -5.423 -4.973 1.00 9.46 O ATOM 475 CB ILE A 30 -3.649 -4.232 -3.291 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.414 -4.769 -2.541 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.883 -4.277 -2.410 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.617 -6.161 -1.946 1.00 2.00 C ATOM 0 H ILE A 30 -2.427 -3.442 -5.237 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.587 -5.996 -4.543 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.549 -3.171 -3.519 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.567 -4.796 -3.226 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.155 -4.075 -1.741 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.683 -3.752 -1.476 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.715 -3.797 -2.925 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.139 -5.314 -2.195 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.707 -6.474 -1.434 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.443 -6.136 -1.236 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.846 -6.868 -2.744 1.00 2.00 H new ATOM 490 N GLN A 31 -5.384 -3.750 -6.218 1.00 7.06 N ATOM 491 CA GLN A 31 -6.607 -3.765 -6.976 1.00 8.67 C ATOM 492 C GLN A 31 -6.778 -5.062 -7.784 1.00 10.90 C ATOM 493 O GLN A 31 -7.844 -5.671 -7.918 1.00 9.63 O ATOM 494 CB GLN A 31 -6.738 -2.536 -7.922 1.00 9.12 C ATOM 495 CG GLN A 31 -8.210 -2.334 -8.420 1.00 10.76 C ATOM 496 CD GLN A 31 -8.382 -1.170 -9.327 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.523 -0.769 -10.077 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.591 -0.598 -9.336 1.00 14.76 N ATOM 0 H GLN A 31 -4.728 -3.010 -6.468 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.406 -3.712 -6.236 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.406 -1.639 -7.399 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.079 -2.667 -8.781 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.536 -3.237 -8.937 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.862 -2.209 -7.556 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.319 -0.933 -8.705 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.785 0.174 -9.974 1.00 14.76 H new ATOM 507 N ASP A 32 -5.711 -5.516 -8.514 1.00 10.93 N ATOM 508 CA ASP A 32 -5.610 -6.793 -9.158 1.00 14.01 C ATOM 509 C ASP A 32 -5.889 -8.033 -8.324 1.00 14.04 C ATOM 510 O ASP A 32 -6.541 -8.961 -8.737 1.00 13.39 O ATOM 511 CB ASP A 32 -4.266 -6.958 -9.884 1.00 18.01 C ATOM 512 CG ASP A 32 -3.996 -5.869 -10.897 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.825 -5.655 -11.835 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.987 -5.172 -10.770 1.00 26.29 O ATOM 0 H ASP A 32 -4.877 -4.946 -8.654 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.441 -6.750 -9.862 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.462 -6.967 -9.148 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.249 -7.925 -10.387 1.00 18.01 H new ATOM 519 N LYS A 33 -5.295 -8.091 -7.130 1.00 14.22 N ATOM 520 CA LYS A 33 -5.389 -9.219 -6.187 1.00 14.00 C ATOM 521 C LYS A 33 -6.706 -9.236 -5.446 1.00 12.37 C ATOM 522 O LYS A 33 -7.308 -10.289 -5.261 1.00 12.17 O ATOM 523 CB LYS A 33 -4.256 -9.277 -5.123 1.00 18.62 C ATOM 524 CG LYS A 33 -2.890 -9.381 -5.743 1.00 24.00 C ATOM 525 CD LYS A 33 -1.719 -9.654 -4.778 1.00 27.61 C ATOM 526 CE LYS A 33 -0.441 -10.192 -5.350 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.614 -11.617 -5.716 1.00 30.06 N ATOM 0 H LYS A 33 -4.714 -7.330 -6.777 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.293 -10.090 -6.836 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.302 -8.384 -4.499 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.420 -10.132 -4.468 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.912 -10.177 -6.487 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.685 -8.452 -6.275 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.487 -8.722 -4.263 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.068 -10.357 -4.022 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.154 -9.614 -6.228 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.365 -10.089 -4.623 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.275 -11.984 -6.112 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.868 -12.165 -4.869 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.370 -11.704 -6.424 1.00 30.06 H new ATOM 541 N GLU A 34 -7.142 -8.113 -4.916 1.00 10.11 N ATOM 542 CA GLU A 34 -8.206 -7.938 -3.902 1.00 10.07 C ATOM 543 C GLU A 34 -9.275 -6.958 -4.337 1.00 9.32 C ATOM 544 O GLU A 34 -10.140 -6.703 -3.482 1.00 11.61 O ATOM 545 CB GLU A 34 -7.455 -7.295 -2.665 1.00 14.77 C ATOM 546 CG GLU A 34 -6.390 -8.128 -1.896 1.00 18.75 C ATOM 547 CD GLU A 34 -6.966 -9.527 -1.549 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.108 -9.614 -1.057 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.202 -10.503 -1.784 1.00 25.19 O ATOM 0 H GLU A 34 -6.741 -7.217 -5.193 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.701 -8.889 -3.707 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.967 -6.386 -3.016 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.214 -6.991 -1.944 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.491 -8.235 -2.503 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.098 -7.608 -0.983 1.00 18.75 H new ATOM 556 N GLY A 35 -9.348 -6.435 -5.585 1.00 7.22 N ATOM 557 CA GLY A 35 -10.505 -5.728 -6.073 1.00 6.29 C ATOM 558 C GLY A 35 -10.815 -4.370 -5.481 1.00 6.93 C ATOM 559 O GLY A 35 -11.886 -3.817 -5.697 1.00 7.41 O ATOM 0 H GLY A 35 -8.591 -6.504 -6.266 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.390 -5.603 -7.150 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.375 -6.366 -5.917 1.00 6.29 H new ATOM 563 N ILE A 36 -9.890 -3.727 -4.758 1.00 5.86 N ATOM 564 CA ILE A 36 -10.172 -2.521 -4.062 1.00 6.07 C ATOM 565 C ILE A 36 -9.682 -1.409 -4.944 1.00 6.36 C ATOM 566 O ILE A 36 -8.516 -1.393 -5.363 1.00 6.18 O ATOM 567 CB ILE A 36 -9.502 -2.497 -2.686 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.010 -3.713 -1.860 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.841 -1.172 -1.966 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.157 -3.867 -0.557 1.00 9.49 C ATOM 0 H ILE A 36 -8.928 -4.051 -4.655 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.239 -2.418 -3.864 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.419 -2.563 -2.794 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.060 -3.576 -1.603 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.944 -4.622 -2.457 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.363 -1.157 -0.987 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.479 -0.332 -2.559 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.921 -1.090 -1.844 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.519 -4.721 0.016 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.112 -4.025 -0.823 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.245 -2.962 0.045 1.00 9.49 H new ATOM 582 N PRO A 37 -10.481 -0.344 -5.260 1.00 8.65 N ATOM 583 CA PRO A 37 -10.081 0.736 -6.088 1.00 9.18 C ATOM 584 C PRO A 37 -8.882 1.568 -5.468 1.00 9.85 C ATOM 585 O PRO A 37 -8.886 1.701 -4.247 1.00 8.51 O ATOM 586 CB PRO A 37 -11.360 1.651 -6.134 1.00 11.42 C ATOM 587 CG PRO A 37 -12.561 0.681 -6.022 1.00 9.27 C ATOM 588 CD PRO A 37 -11.963 -0.304 -5.007 1.00 8.33 C ATOM 0 HA PRO A 37 -9.733 0.382 -7.058 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.358 2.371 -5.315 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.401 2.223 -7.061 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.465 1.168 -5.657 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.814 0.209 -6.971 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.172 0.018 -3.987 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.402 -1.295 -5.125 1.00 8.33 H new ATOM 596 N PRO A 38 -7.955 2.137 -6.227 1.00 8.71 N ATOM 597 CA PRO A 38 -6.835 2.880 -5.643 1.00 9.08 C ATOM 598 C PRO A 38 -7.296 4.123 -4.899 1.00 9.28 C ATOM 599 O PRO A 38 -6.680 4.586 -3.929 1.00 6.50 O ATOM 600 CB PRO A 38 -5.900 3.224 -6.808 1.00 10.31 C ATOM 601 CG PRO A 38 -6.243 2.127 -7.913 1.00 10.81 C ATOM 602 CD PRO A 38 -7.692 1.719 -7.605 1.00 12.00 C ATOM 0 HA PRO A 38 -6.321 2.280 -4.892 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.078 4.233 -7.179 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.853 3.175 -6.508 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.150 2.534 -8.920 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.567 1.274 -7.850 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.386 2.199 -8.295 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.825 0.643 -7.716 1.00 12.00 H new ATOM 610 N ASP A 39 -8.432 4.633 -5.341 1.00 11.20 N ATOM 611 CA ASP A 39 -9.089 5.786 -4.741 1.00 14.96 C ATOM 612 C ASP A 39 -9.730 5.368 -3.409 1.00 13.99 C ATOM 613 O ASP A 39 -10.036 6.191 -2.599 1.00 13.75 O ATOM 614 CB ASP A 39 -10.046 6.514 -5.687 1.00 24.16 C ATOM 615 CG ASP A 39 -9.412 6.832 -7.076 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.444 5.968 -7.965 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.958 7.962 -7.324 1.00 35.55 O ATOM 0 H ASP A 39 -8.935 4.252 -6.142 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.330 6.540 -4.532 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.937 5.904 -5.833 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.370 7.445 -5.221 1.00 24.16 H new ATOM 622 N GLN A 40 -9.858 4.046 -3.096 1.00 11.60 N ATOM 623 CA GLN A 40 -10.494 3.579 -1.868 1.00 10.76 C ATOM 624 C GLN A 40 -9.370 2.935 -1.024 1.00 8.01 C ATOM 625 O GLN A 40 -9.634 2.284 -0.064 1.00 8.96 O ATOM 626 CB GLN A 40 -11.602 2.525 -2.011 1.00 11.14 C ATOM 627 CG GLN A 40 -12.931 3.128 -2.573 1.00 14.85 C ATOM 628 CD GLN A 40 -14.061 2.085 -2.488 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.059 1.236 -1.606 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.045 2.101 -3.431 1.00 18.16 N ATOM 0 H GLN A 40 -9.520 3.294 -3.696 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.985 4.451 -1.435 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.259 1.729 -2.672 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.795 2.071 -1.039 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.204 4.019 -2.007 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.790 3.439 -3.608 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.039 2.812 -4.162 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.787 1.402 -3.405 1.00 18.16 H new ATOM 639 N GLN A 41 -8.064 3.191 -1.353 1.00 6.52 N ATOM 640 CA GLN A 41 -7.017 2.615 -0.478 1.00 3.87 C ATOM 641 C GLN A 41 -6.224 3.657 0.119 1.00 4.79 C ATOM 642 O GLN A 41 -5.737 4.636 -0.451 1.00 6.34 O ATOM 643 CB GLN A 41 -6.023 1.620 -1.183 1.00 4.20 C ATOM 644 CG GLN A 41 -6.804 0.378 -1.733 1.00 3.20 C ATOM 645 CD GLN A 41 -5.934 -0.443 -2.656 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.823 -0.788 -2.276 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.351 -0.754 -3.915 1.00 7.13 N ATOM 0 H GLN A 41 -7.740 3.743 -2.147 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.581 2.046 0.261 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.508 2.126 -1.999 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.259 1.295 -0.477 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.143 -0.240 -0.902 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.694 0.711 -2.267 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.277 -0.466 -4.231 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.737 -1.275 -4.542 1.00 7.13 H new ATOM 656 N ARG A 42 -6.045 3.562 1.444 1.00 5.73 N ATOM 657 CA ARG A 42 -5.171 4.365 2.281 1.00 6.97 C ATOM 658 C ARG A 42 -4.145 3.345 2.685 1.00 7.15 C ATOM 659 O ARG A 42 -4.496 2.243 3.182 1.00 7.33 O ATOM 660 CB ARG A 42 -5.943 5.074 3.472 1.00 13.23 C ATOM 661 CG ARG A 42 -4.944 5.786 4.431 1.00 21.27 C ATOM 662 CD ARG A 42 -5.712 6.244 5.695 1.00 26.14 C ATOM 663 NE ARG A 42 -6.670 7.293 5.212 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.773 7.663 5.894 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.108 7.052 7.035 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.555 8.687 5.505 1.00 36.39 N ATOM 0 H ARG A 42 -6.551 2.865 1.991 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.724 5.231 1.792 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.650 5.800 3.072 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.523 4.336 4.026 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.135 5.109 4.705 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.488 6.643 3.934 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.240 5.411 6.159 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.032 6.647 6.445 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.477 7.750 4.321 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.527 6.297 7.399 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.945 7.341 7.542 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.322 9.216 4.665 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.381 8.934 6.050 1.00 36.39 H new ATOM 680 N LEU A 43 -2.806 3.650 2.477 1.00 4.65 N ATOM 681 CA LEU A 43 -1.718 2.808 2.941 1.00 3.51 C ATOM 682 C LEU A 43 -0.933 3.528 4.004 1.00 5.56 C ATOM 683 O LEU A 43 -0.633 4.719 3.909 1.00 4.19 O ATOM 684 CB LEU A 43 -0.779 2.421 1.791 1.00 3.74 C ATOM 685 CG LEU A 43 -1.413 1.459 0.754 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.521 1.159 -0.375 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.917 0.173 1.444 1.00 6.41 C ATOM 0 H LEU A 43 -2.495 4.487 1.984 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.153 1.896 3.351 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.455 3.327 1.280 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.114 1.953 2.206 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.270 1.976 0.322 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.023 0.481 -1.065 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.268 2.083 -0.894 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.390 0.690 -0.004 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.359 -0.490 0.700 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.081 -0.331 1.929 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.667 0.431 2.191 1.00 6.41 H new ATOM 699 N ILE A 44 -0.705 2.741 5.105 1.00 4.58 N ATOM 700 CA ILE A 44 -0.107 3.218 6.314 1.00 5.55 C ATOM 701 C ILE A 44 1.090 2.391 6.545 1.00 5.46 C ATOM 702 O ILE A 44 1.044 1.153 6.423 1.00 6.04 O ATOM 703 CB ILE A 44 -1.052 3.238 7.515 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.049 4.393 7.177 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.349 3.375 8.887 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.169 4.641 8.161 1.00 13.90 C ATOM 0 H ILE A 44 -0.949 1.751 5.137 1.00 4.58 H new ATOM 0 HA ILE A 44 0.160 4.268 6.198 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.561 2.284 7.650 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.477 5.315 7.075 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.493 4.184 6.204 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.097 3.380 9.680 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.330 2.535 9.034 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.216 4.307 8.915 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.787 5.467 7.808 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.780 3.743 8.250 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.749 4.892 9.135 1.00 13.90 H new ATOM 718 N PHE A 45 2.225 3.082 6.745 1.00 6.75 N ATOM 719 CA PHE A 45 3.436 2.462 7.166 1.00 4.70 C ATOM 720 C PHE A 45 3.827 3.177 8.513 1.00 6.34 C ATOM 721 O PHE A 45 3.898 4.393 8.595 1.00 5.45 O ATOM 722 CB PHE A 45 4.573 2.748 6.129 1.00 5.51 C ATOM 723 CG PHE A 45 5.852 2.025 6.462 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.881 0.664 6.678 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.091 2.749 6.531 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.088 -0.016 6.885 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.298 2.060 6.745 1.00 6.64 C ATOM 728 CZ PHE A 45 8.319 0.701 7.003 1.00 6.84 C ATOM 0 H PHE A 45 2.301 4.090 6.611 1.00 6.75 H new ATOM 0 HA PHE A 45 3.311 1.384 7.269 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.238 2.449 5.136 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.765 3.820 6.091 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.954 0.110 6.688 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.095 3.823 6.418 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.089 -1.094 6.956 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.230 2.604 6.707 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.233 0.199 7.284 1.00 6.84 H new ATOM 738 N ALA A 46 4.027 2.369 9.589 1.00 6.53 N ATOM 739 CA ALA A 46 4.455 2.854 10.885 1.00 7.15 C ATOM 740 C ALA A 46 3.654 4.075 11.425 1.00 9.00 C ATOM 741 O ALA A 46 4.200 5.007 11.995 1.00 11.15 O ATOM 742 CB ALA A 46 5.986 3.100 10.929 1.00 8.99 C ATOM 0 H ALA A 46 3.889 1.359 9.558 1.00 6.53 H new ATOM 0 HA ALA A 46 4.219 2.045 11.576 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.268 3.463 11.917 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.510 2.167 10.722 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.257 3.843 10.179 1.00 8.99 H new ATOM 748 N GLY A 47 2.351 4.034 11.236 1.00 9.35 N ATOM 749 CA GLY A 47 1.325 5.006 11.652 1.00 11.68 C ATOM 750 C GLY A 47 1.210 6.213 10.751 1.00 11.14 C ATOM 751 O GLY A 47 0.419 7.096 10.956 1.00 13.93 O ATOM 0 H GLY A 47 1.929 3.249 10.741 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.359 4.503 11.691 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.550 5.343 12.664 1.00 11.68 H new ATOM 755 N LYS A 48 1.916 6.228 9.618 1.00 10.47 N ATOM 756 CA LYS A 48 1.922 7.306 8.699 1.00 8.82 C ATOM 757 C LYS A 48 1.196 7.115 7.374 1.00 7.68 C ATOM 758 O LYS A 48 1.394 6.097 6.757 1.00 6.47 O ATOM 759 CB LYS A 48 3.482 7.665 8.527 1.00 9.74 C ATOM 760 CG LYS A 48 3.838 9.137 8.493 1.00 14.14 C ATOM 761 CD LYS A 48 3.389 9.794 7.133 1.00 16.32 C ATOM 762 CE LYS A 48 3.893 11.231 6.979 1.00 20.04 C ATOM 763 NZ LYS A 48 3.216 12.047 5.941 1.00 23.92 N ATOM 0 H LYS A 48 2.511 5.451 9.330 1.00 10.47 H new ATOM 0 HA LYS A 48 1.322 8.122 9.102 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.031 7.200 9.346 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.838 7.207 7.604 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.357 9.651 9.326 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.914 9.258 8.622 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.759 9.192 6.303 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.301 9.786 7.072 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.787 11.738 7.938 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.958 11.199 6.751 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 3.633 12.999 5.921 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 3.337 11.596 5.012 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 2.202 12.118 6.162 1.00 23.92 H new ATOM 777 N GLN A 49 0.281 8.018 6.997 1.00 8.89 N ATOM 778 CA GLN A 49 -0.396 8.095 5.736 1.00 7.18 C ATOM 779 C GLN A 49 0.590 8.282 4.568 1.00 8.23 C ATOM 780 O GLN A 49 1.276 9.319 4.538 1.00 9.70 O ATOM 781 CB GLN A 49 -1.540 9.057 5.667 1.00 11.67 C ATOM 782 CG GLN A 49 -2.609 8.832 6.752 1.00 15.82 C ATOM 783 CD GLN A 49 -3.879 9.718 6.544 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.110 10.309 5.538 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.737 9.727 7.544 1.00 20.67 N ATOM 0 H GLN A 49 -0.014 8.762 7.629 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.873 7.121 5.633 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.154 10.073 5.756 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.009 8.979 4.686 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.901 7.782 6.756 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.178 9.046 7.730 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.526 9.216 8.401 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.612 10.245 7.461 1.00 20.67 H new ATOM 794 N LEU A 50 0.653 7.351 3.606 1.00 6.51 N ATOM 795 CA LEU A 50 1.558 7.398 2.471 1.00 7.41 C ATOM 796 C LEU A 50 1.016 8.108 1.233 1.00 8.27 C ATOM 797 O LEU A 50 -0.102 7.865 0.798 1.00 8.34 O ATOM 798 CB LEU A 50 1.834 5.927 2.033 1.00 7.13 C ATOM 799 CG LEU A 50 2.494 5.088 3.049 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.752 3.651 2.546 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.786 5.551 3.701 1.00 9.11 C ATOM 0 H LEU A 50 0.055 6.525 3.605 1.00 6.51 H new ATOM 0 HA LEU A 50 2.432 7.955 2.809 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.887 5.462 1.759 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.454 5.941 1.137 1.00 7.13 H new ATOM 0 HG LEU A 50 1.736 5.163 3.829 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.240 3.073 3.331 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.804 3.181 2.285 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.395 3.683 1.666 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.119 4.803 4.420 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.551 5.686 2.937 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.616 6.497 4.215 1.00 9.11 H new ATOM 813 N GLU A 51 1.786 9.092 0.760 1.00 9.43 N ATOM 814 CA GLU A 51 1.441 9.890 -0.396 1.00 11.90 C ATOM 815 C GLU A 51 1.697 9.185 -1.703 1.00 11.49 C ATOM 816 O GLU A 51 2.690 8.532 -1.847 1.00 9.88 O ATOM 817 CB GLU A 51 2.101 11.262 -0.431 1.00 16.56 C ATOM 818 CG GLU A 51 1.968 12.146 0.826 1.00 26.06 C ATOM 819 CD GLU A 51 2.596 13.525 0.704 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.585 13.752 -0.065 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.114 14.494 1.359 1.00 32.13 O ATOM 0 H GLU A 51 2.677 9.352 1.183 1.00 9.43 H new ATOM 0 HA GLU A 51 0.368 10.041 -0.280 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.163 11.120 -0.632 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.688 11.813 -1.276 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.910 12.263 1.060 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.425 11.627 1.668 1.00 26.06 H new ATOM 828 N ASP A 52 0.704 9.242 -2.624 1.00 12.71 N ATOM 829 CA ASP A 52 0.590 8.388 -3.740 1.00 16.56 C ATOM 830 C ASP A 52 1.706 8.529 -4.824 1.00 15.83 C ATOM 831 O ASP A 52 2.214 7.602 -5.408 1.00 17.21 O ATOM 832 CB ASP A 52 -0.763 8.627 -4.469 1.00 21.05 C ATOM 833 CG ASP A 52 -1.857 8.560 -3.444 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.354 7.470 -3.086 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.242 9.618 -2.936 1.00 25.82 O ATOM 0 H ASP A 52 -0.050 9.927 -2.570 1.00 12.71 H new ATOM 0 HA ASP A 52 0.677 7.392 -3.305 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.763 9.598 -4.964 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.918 7.875 -5.242 1.00 21.05 H new ATOM 840 N GLY A 53 2.111 9.752 -5.117 1.00 15.00 N ATOM 841 CA GLY A 53 3.055 10.147 -6.179 1.00 11.77 C ATOM 842 C GLY A 53 4.480 10.129 -5.626 1.00 11.10 C ATOM 843 O GLY A 53 5.254 11.006 -5.975 1.00 11.25 O ATOM 0 H GLY A 53 1.774 10.559 -4.591 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.973 9.465 -7.025 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.809 11.143 -6.547 1.00 11.77 H new ATOM 847 N ARG A 54 4.896 9.164 -4.760 1.00 8.53 N ATOM 848 CA ARG A 54 6.105 8.896 -4.058 1.00 9.05 C ATOM 849 C ARG A 54 6.449 7.388 -4.224 1.00 8.96 C ATOM 850 O ARG A 54 5.553 6.554 -4.554 1.00 11.60 O ATOM 851 CB ARG A 54 5.902 9.243 -2.586 1.00 7.97 C ATOM 852 CG ARG A 54 5.819 10.778 -2.345 1.00 9.62 C ATOM 853 CD ARG A 54 5.970 11.147 -0.886 1.00 12.20 C ATOM 854 NE ARG A 54 5.865 12.664 -0.796 1.00 18.23 N ATOM 855 CZ ARG A 54 6.907 13.484 -1.034 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.108 12.973 -1.325 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.786 14.834 -1.063 1.00 23.38 N ATOM 0 H ARG A 54 4.224 8.434 -4.522 1.00 8.53 H new ATOM 0 HA ARG A 54 6.927 9.494 -4.452 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.987 8.772 -2.227 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.724 8.830 -2.001 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.597 11.275 -2.924 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.862 11.148 -2.712 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.195 10.671 -0.286 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.929 10.803 -0.499 1.00 12.20 H new ATOM 0 HE ARG A 54 4.967 13.077 -0.545 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.235 11.962 -1.367 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.897 13.594 -1.505 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.877 15.268 -0.900 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.604 15.415 -1.247 1.00 23.38 H new ATOM 871 N THR A 55 7.702 6.986 -4.024 1.00 9.05 N ATOM 872 CA THR A 55 8.073 5.574 -4.110 1.00 9.03 C ATOM 873 C THR A 55 8.178 4.944 -2.795 1.00 8.15 C ATOM 874 O THR A 55 8.267 5.658 -1.786 1.00 5.91 O ATOM 875 CB THR A 55 9.388 5.482 -4.878 1.00 11.15 C ATOM 876 OG1 THR A 55 10.426 6.303 -4.241 1.00 11.95 O ATOM 877 CG2 THR A 55 9.227 5.881 -6.340 1.00 11.71 C ATOM 0 H THR A 55 8.475 7.614 -3.802 1.00 9.05 H new ATOM 0 HA THR A 55 7.289 5.027 -4.634 1.00 9.03 H new ATOM 0 HB THR A 55 9.697 4.437 -4.852 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.229 5.760 -4.095 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.188 5.800 -6.847 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.506 5.219 -6.821 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.871 6.909 -6.399 1.00 11.71 H new ATOM 885 N LEU A 56 8.295 3.575 -2.737 1.00 6.91 N ATOM 886 CA LEU A 56 8.670 2.872 -1.512 1.00 8.29 C ATOM 887 C LEU A 56 10.057 3.248 -0.928 1.00 8.05 C ATOM 888 O LEU A 56 10.183 3.525 0.256 1.00 10.17 O ATOM 889 CB LEU A 56 8.629 1.320 -1.866 1.00 6.60 C ATOM 890 CG LEU A 56 7.193 0.848 -2.210 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.336 -0.525 -2.873 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.356 0.767 -0.978 1.00 8.64 C ATOM 0 H LEU A 56 8.130 2.961 -3.535 1.00 6.91 H new ATOM 0 HA LEU A 56 7.969 3.160 -0.728 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.289 1.122 -2.710 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.009 0.744 -1.022 1.00 6.60 H new ATOM 0 HG LEU A 56 6.695 1.550 -2.878 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.350 -0.906 -3.137 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.943 -0.433 -3.774 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.818 -1.215 -2.180 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.352 0.434 -1.241 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.802 0.058 -0.281 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.301 1.750 -0.510 1.00 8.64 H new ATOM 904 N SER A 57 11.024 3.457 -1.814 1.00 8.92 N ATOM 905 CA SER A 57 12.356 4.027 -1.418 1.00 9.00 C ATOM 906 C SER A 57 12.240 5.366 -0.682 1.00 9.44 C ATOM 907 O SER A 57 12.902 5.514 0.328 1.00 10.91 O ATOM 908 CB SER A 57 13.389 4.286 -2.562 1.00 10.32 C ATOM 909 OG SER A 57 12.891 5.232 -3.575 1.00 13.59 O ATOM 0 H SER A 57 10.936 3.250 -2.809 1.00 8.92 H new ATOM 0 HA SER A 57 12.725 3.219 -0.787 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.312 4.674 -2.131 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.635 3.340 -3.044 1.00 10.32 H new ATOM 0 HG SER A 57 13.574 5.361 -4.266 1.00 13.59 H new ATOM 915 N ASP A 58 11.339 6.257 -1.127 1.00 9.11 N ATOM 916 CA ASP A 58 11.150 7.612 -0.577 1.00 7.91 C ATOM 917 C ASP A 58 10.618 7.640 0.861 1.00 9.12 C ATOM 918 O ASP A 58 10.994 8.412 1.734 1.00 8.61 O ATOM 919 CB ASP A 58 10.320 8.376 -1.691 1.00 8.41 C ATOM 920 CG ASP A 58 10.388 9.800 -1.267 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.488 10.403 -1.130 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.256 10.378 -1.120 1.00 10.05 O ATOM 0 H ASP A 58 10.705 6.051 -1.899 1.00 9.11 H new ATOM 0 HA ASP A 58 12.087 8.141 -0.403 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.752 8.232 -2.681 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.291 8.021 -1.738 1.00 8.41 H new ATOM 927 N TYR A 59 9.764 6.619 1.186 1.00 7.97 N ATOM 928 CA TYR A 59 9.186 6.329 2.463 1.00 8.45 C ATOM 929 C TYR A 59 10.019 5.364 3.345 1.00 10.98 C ATOM 930 O TYR A 59 9.551 4.960 4.408 1.00 12.95 O ATOM 931 CB TYR A 59 7.787 5.678 2.230 1.00 7.94 C ATOM 932 CG TYR A 59 6.754 6.788 2.317 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.568 7.560 3.426 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.045 7.151 1.161 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.707 8.653 3.448 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.253 8.305 1.122 1.00 6.52 C ATOM 937 CZ TYR A 59 5.064 9.022 2.279 1.00 6.76 C ATOM 938 OH TYR A 59 4.251 10.180 2.223 1.00 7.63 O ATOM 0 H TYR A 59 9.463 5.947 0.480 1.00 7.97 H new ATOM 0 HA TYR A 59 9.135 7.277 2.998 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.747 5.191 1.256 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.591 4.910 2.978 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.112 7.312 4.325 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.112 6.526 0.282 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.543 9.204 4.362 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.798 8.627 0.197 1.00 6.52 H new ATOM 0 HH TYR A 59 4.798 10.952 1.966 1.00 7.63 H new ATOM 948 N ASN A 60 11.159 4.908 2.827 1.00 12.38 N ATOM 949 CA ASN A 60 12.065 4.118 3.614 1.00 13.94 C ATOM 950 C ASN A 60 11.611 2.733 3.922 1.00 14.16 C ATOM 951 O ASN A 60 11.667 2.325 5.062 1.00 14.26 O ATOM 952 CB ASN A 60 12.770 4.828 4.827 1.00 19.23 C ATOM 953 CG ASN A 60 13.298 6.201 4.492 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.171 6.418 3.696 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.747 7.228 5.179 1.00 24.09 N ATOM 0 H ASN A 60 11.464 5.079 1.869 1.00 12.38 H new ATOM 0 HA ASN A 60 12.877 3.999 2.896 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.062 4.910 5.652 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.594 4.205 5.175 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.073 8.181 5.020 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.005 7.049 5.856 1.00 24.09 H new ATOM 962 N ILE A 61 11.064 1.943 2.962 1.00 11.08 N ATOM 963 CA ILE A 61 10.344 0.735 3.208 1.00 11.78 C ATOM 964 C ILE A 61 11.267 -0.350 2.748 1.00 13.74 C ATOM 965 O ILE A 61 11.681 -0.315 1.595 1.00 14.60 O ATOM 966 CB ILE A 61 9.040 0.701 2.425 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.117 1.702 3.122 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.396 -0.742 2.354 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.844 2.154 2.270 1.00 11.42 C ATOM 0 H ILE A 61 11.133 2.167 1.969 1.00 11.08 H new ATOM 0 HA ILE A 61 10.066 0.631 4.257 1.00 11.78 H new ATOM 0 HB ILE A 61 9.213 0.966 1.382 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.772 1.264 4.058 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.696 2.589 3.380 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.469 -0.699 1.782 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.091 -1.427 1.868 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.184 -1.096 3.363 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.252 2.863 2.849 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.174 2.627 1.345 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.235 1.281 2.034 1.00 11.42 H new ATOM 981 N GLN A 62 11.748 -1.247 3.647 1.00 13.97 N ATOM 982 CA GLN A 62 12.637 -2.370 3.328 1.00 15.52 C ATOM 983 C GLN A 62 11.956 -3.547 2.761 1.00 13.94 C ATOM 984 O GLN A 62 10.743 -3.613 2.667 1.00 12.15 O ATOM 985 CB GLN A 62 13.448 -2.764 4.670 1.00 19.53 C ATOM 986 CG GLN A 62 14.016 -1.511 5.424 1.00 26.38 C ATOM 987 CD GLN A 62 15.017 -0.708 4.648 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.853 0.497 4.332 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.255 -1.251 4.460 1.00 32.71 N ATOM 0 H GLN A 62 11.515 -1.198 4.639 1.00 13.97 H new ATOM 0 HA GLN A 62 13.312 -2.040 2.538 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.789 -3.317 5.339 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.271 -3.430 4.410 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.184 -0.862 5.697 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.480 -1.843 6.353 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.427 -2.226 4.705 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.009 -0.682 4.075 1.00 32.71 H new ATOM 998 N LYS A 63 12.690 -4.586 2.357 1.00 11.73 N ATOM 999 CA LYS A 63 12.182 -5.946 2.167 1.00 11.97 C ATOM 1000 C LYS A 63 11.486 -6.513 3.453 1.00 10.41 C ATOM 1001 O LYS A 63 11.977 -6.314 4.609 1.00 9.59 O ATOM 1002 CB LYS A 63 13.336 -6.908 1.718 1.00 13.73 C ATOM 1003 CG LYS A 63 14.398 -7.278 2.750 1.00 16.98 C ATOM 1004 CD LYS A 63 15.511 -8.004 2.073 1.00 20.19 C ATOM 1005 CE LYS A 63 16.459 -7.053 1.391 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.374 -7.866 0.509 1.00 25.97 N ATOM 0 H LYS A 63 13.684 -4.501 2.147 1.00 11.73 H new ATOM 0 HA LYS A 63 11.427 -5.891 1.383 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.881 -7.832 1.360 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.841 -6.451 0.867 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.777 -6.379 3.237 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.962 -7.903 3.530 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.056 -8.600 2.805 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.101 -8.698 1.340 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.907 -6.323 0.799 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.036 -6.495 2.128 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.042 -7.233 0.024 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.903 -8.546 1.091 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.809 -8.380 -0.197 1.00 25.97 H new ATOM 1020 N GLU A 64 10.339 -7.225 3.248 1.00 10.04 N ATOM 1021 CA GLU A 64 9.500 -7.963 4.191 1.00 10.94 C ATOM 1022 C GLU A 64 8.762 -7.048 5.115 1.00 9.74 C ATOM 1023 O GLU A 64 8.275 -7.494 6.134 1.00 9.42 O ATOM 1024 CB GLU A 64 10.304 -9.075 5.006 1.00 18.31 C ATOM 1025 CG GLU A 64 11.040 -10.073 4.063 1.00 24.16 C ATOM 1026 CD GLU A 64 12.172 -10.739 4.833 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.820 -11.424 5.833 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.391 -10.590 4.458 1.00 31.72 O ATOM 0 H GLU A 64 9.953 -7.291 2.306 1.00 10.04 H new ATOM 0 HA GLU A 64 8.766 -8.491 3.583 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.030 -8.591 5.659 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.614 -9.624 5.647 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.343 -10.825 3.693 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.434 -9.548 3.193 1.00 24.16 H new ATOM 1035 N SER A 65 8.612 -5.725 4.698 1.00 6.85 N ATOM 1036 CA SER A 65 7.836 -4.685 5.485 1.00 6.90 C ATOM 1037 C SER A 65 6.324 -4.917 5.354 1.00 4.72 C ATOM 1038 O SER A 65 5.904 -5.257 4.262 1.00 3.91 O ATOM 1039 CB SER A 65 8.045 -3.254 5.000 1.00 7.28 C ATOM 1040 OG SER A 65 9.412 -2.963 5.151 1.00 10.56 O ATOM 0 H SER A 65 9.015 -5.365 3.833 1.00 6.85 H new ATOM 0 HA SER A 65 8.208 -4.797 6.503 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.742 -3.152 3.958 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.437 -2.558 5.578 1.00 7.28 H new ATOM 0 HG SER A 65 9.891 -3.207 4.332 1.00 10.56 H new ATOM 1046 N THR A 66 5.597 -4.714 6.432 1.00 4.48 N ATOM 1047 CA THR A 66 4.146 -4.835 6.480 1.00 3.80 C ATOM 1048 C THR A 66 3.556 -3.486 6.282 1.00 4.60 C ATOM 1049 O THR A 66 3.524 -2.625 7.172 1.00 5.33 O ATOM 1050 CB THR A 66 3.620 -5.353 7.822 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.158 -6.579 8.191 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.082 -5.599 7.809 1.00 3.40 C ATOM 0 H THR A 66 6.007 -4.452 7.329 1.00 4.48 H new ATOM 0 HA THR A 66 3.867 -5.548 5.704 1.00 3.80 H new ATOM 0 HB THR A 66 3.908 -4.564 8.517 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.785 -6.853 9.055 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.764 -5.965 8.785 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.566 -4.665 7.586 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.838 -6.339 7.047 1.00 3.40 H new ATOM 1060 N LEU A 67 2.844 -3.269 5.121 1.00 4.17 N ATOM 1061 CA LEU A 67 2.047 -2.135 4.941 1.00 3.85 C ATOM 1062 C LEU A 67 0.661 -2.397 5.487 1.00 3.80 C ATOM 1063 O LEU A 67 0.095 -3.429 5.201 1.00 5.54 O ATOM 1064 CB LEU A 67 1.933 -1.622 3.468 1.00 7.18 C ATOM 1065 CG LEU A 67 3.087 -0.662 3.058 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.486 -1.321 3.234 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.925 -0.087 1.652 1.00 11.66 C ATOM 0 H LEU A 67 2.848 -3.908 4.326 1.00 4.17 H new ATOM 0 HA LEU A 67 2.554 -1.340 5.488 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.924 -2.477 2.793 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.980 -1.108 3.343 1.00 7.18 H new ATOM 0 HG LEU A 67 3.022 0.180 3.747 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.261 -0.615 2.936 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.629 -1.597 4.279 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.549 -2.213 2.611 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.763 0.573 1.430 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.902 -0.900 0.927 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.994 0.477 1.594 1.00 11.66 H new ATOM 1079 N HIS A 68 0.031 -1.406 6.159 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.281 -1.583 6.731 1.00 4.17 C ATOM 1081 C HIS A 68 -2.229 -0.990 5.825 1.00 5.32 C ATOM 1082 O HIS A 68 -2.248 0.238 5.645 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.394 -0.980 8.170 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.493 -1.617 9.213 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.874 -1.755 9.144 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.872 -2.298 10.356 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.289 -2.480 10.192 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.230 -2.842 10.982 1.00 16.30 N ATOM 0 H HIS A 68 0.430 -0.479 6.307 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.488 -2.646 6.854 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.167 0.085 8.119 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.428 -1.069 8.503 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.889 -2.391 10.709 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.318 -2.743 10.387 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.252 -3.391 11.841 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.131 -1.835 5.248 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.064 -1.401 4.248 1.00 3.97 C ATOM 1098 C LEU A 69 -5.349 -0.903 4.931 1.00 5.07 C ATOM 1099 O LEU A 69 -5.865 -1.483 5.865 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.369 -2.587 3.331 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.546 -2.430 2.385 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.529 -1.205 1.445 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.719 -3.689 1.588 1.00 9.96 C ATOM 0 H LEU A 69 -3.206 -2.825 5.484 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.647 -0.583 3.660 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.480 -2.795 2.736 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.548 -3.463 3.955 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.396 -2.241 3.040 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.424 -1.211 0.823 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.506 -0.291 2.039 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.645 -1.247 0.809 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.564 -3.576 0.909 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.814 -3.882 1.012 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.905 -4.524 2.263 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.885 0.271 4.605 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.139 0.857 5.115 1.00 6.26 C ATOM 1117 C VAL A 70 -8.107 1.289 4.021 1.00 9.22 C ATOM 1118 O VAL A 70 -7.761 2.032 3.148 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.847 2.024 6.055 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.044 2.813 6.628 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.975 1.624 7.274 1.00 8.54 C ATOM 0 H VAL A 70 -5.429 0.887 3.931 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.637 0.059 5.665 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.327 2.682 5.359 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.678 3.609 7.277 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.619 3.247 5.810 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.681 2.141 7.203 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.804 2.498 7.902 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.489 0.856 7.853 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.018 1.236 6.925 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.373 0.787 4.114 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.420 1.298 3.225 1.00 16.06 C ATOM 1133 C LEU A 71 -10.727 2.765 3.323 1.00 18.09 C ATOM 1134 O LEU A 71 -11.186 3.281 4.344 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.847 0.670 3.489 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.862 0.431 2.260 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.404 1.764 1.667 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.066 -0.359 1.222 1.00 19.57 C ATOM 0 H LEU A 71 -9.669 0.063 4.768 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.972 1.034 2.267 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.692 -0.294 3.974 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.355 1.311 4.209 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.750 -0.109 2.589 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.083 1.546 0.843 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.938 2.316 2.441 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.571 2.365 1.302 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -12.696 -0.558 0.355 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.196 0.220 0.913 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -11.738 -1.303 1.657 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.467 3.498 2.205 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.301 4.977 2.240 1.00 25.83 C ATOM 1152 C ARG A 72 -11.591 5.755 1.969 1.00 27.74 C ATOM 1153 O ARG A 72 -12.193 5.489 0.985 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.168 5.454 1.335 1.00 28.49 C ATOM 1155 CG ARG A 72 -8.793 6.975 1.481 1.00 31.79 C ATOM 1156 CD ARG A 72 -7.857 7.486 0.356 1.00 34.05 C ATOM 1157 NE ARG A 72 -7.524 8.896 0.698 1.00 35.08 N ATOM 1158 CZ ARG A 72 -6.919 9.769 -0.101 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.355 9.415 -1.272 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -6.822 11.023 0.252 1.00 35.02 N ATOM 0 H ARG A 72 -10.369 3.091 1.275 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.026 5.201 3.270 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.281 4.855 1.543 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.446 5.262 0.299 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.707 7.569 1.482 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -8.310 7.132 2.445 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -6.955 6.877 0.294 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.348 7.427 -0.615 1.00 34.05 H new ATOM 0 HE ARG A 72 -7.783 9.221 1.629 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.382 8.442 -1.578 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -5.901 10.120 -1.853 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -7.211 11.334 1.142 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -6.357 11.691 -0.363 1.00 35.02 H new ATOM 1174 N LEU A 73 -11.959 6.741 2.899 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.065 7.597 2.854 1.00 30.76 C ATOM 1176 C LEU A 73 -12.568 9.044 2.903 1.00 32.18 C ATOM 1177 O LEU A 73 -11.549 9.281 3.577 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.081 7.440 4.010 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.653 6.008 4.128 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.366 5.758 5.449 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.566 5.743 2.944 1.00 29.11 C ATOM 0 H LEU A 73 -11.395 6.906 3.733 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.585 7.334 1.933 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.598 7.710 4.949 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.902 8.141 3.861 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.818 5.308 4.114 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.745 4.736 5.470 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.667 5.903 6.273 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.198 6.455 5.551 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.975 4.735 3.018 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.382 6.466 2.944 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.998 5.837 2.018 1.00 29.11 H new ATOM 1193 N ARG A 74 -13.269 9.978 2.200 1.00 33.82 N ATOM 1194 CA ARG A 74 -12.873 11.343 2.109 1.00 35.33 C ATOM 1195 C ARG A 74 -13.229 12.184 3.335 1.00 36.22 C ATOM 1196 O ARG A 74 -12.673 13.243 3.617 1.00 36.70 O ATOM 1197 CB ARG A 74 -13.610 12.063 0.903 1.00 36.91 C ATOM 1198 CG ARG A 74 -13.241 11.344 -0.406 1.00 38.62 C ATOM 1199 CD ARG A 74 -11.782 11.605 -0.899 1.00 39.75 C ATOM 1200 NE ARG A 74 -11.421 10.402 -1.729 1.00 41.13 N ATOM 1201 CZ ARG A 74 -10.208 10.267 -2.285 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -9.430 11.360 -2.466 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -9.837 9.176 -2.972 1.00 41.93 N ATOM 0 H ARG A 74 -14.126 9.765 1.690 1.00 33.82 H new ATOM 0 HA ARG A 74 -11.790 11.292 1.992 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -14.689 12.041 1.054 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -13.316 13.111 0.853 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -13.378 10.272 -0.268 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -13.936 11.656 -1.186 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -11.724 12.521 -1.488 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -11.098 11.722 -0.058 1.00 39.75 H new ATOM 0 HE ARG A 74 -12.117 9.670 -1.872 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -9.767 12.279 -2.180 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -8.506 11.264 -2.888 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -10.490 8.401 -3.090 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -8.902 9.121 -3.376 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.121 11.711 4.260 1.00 36.31 N ATOM 1218 CA GLY A 75 -14.414 12.273 5.596 1.00 36.07 C ATOM 1219 C GLY A 75 -13.530 11.565 6.610 1.00 36.16 C ATOM 1220 O GLY A 75 -13.504 12.000 7.749 1.00 36.26 O ATOM 0 H GLY A 75 -14.681 10.879 4.071 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -14.223 13.346 5.608 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.466 12.134 5.845 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.853 10.473 6.315 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.451 9.454 7.312 1.00 36.19 C ATOM 1226 C GLY A 76 -10.977 9.366 7.361 1.00 36.20 C ATOM 1227 O GLY A 76 -10.274 10.356 7.040 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.488 8.287 7.776 1.00 0.00 O ATOM 0 H GLY A 76 -12.554 10.249 5.366 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.843 9.717 8.295 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.875 8.485 7.048 1.00 36.19 H new TER 1232 GLY A 76